diff --git a/run_llama_train.sh b/run_llama_train.sh
index c3b3f73b..90945f8a 100755
--- a/run_llama_train.sh
+++ b/run_llama_train.sh
@@ -1,4 +1,4 @@
-#!/usr/bin/bash
+#!/usr/bin/env bash
 # Copyright (c) Meta Platforms, Inc. and affiliates.
 # All rights reserved.
 
@@ -11,9 +11,9 @@ set -ex
 # e.g.
 # LOG_RANK=0,1 NGPU=4 ./run_llama_train.sh
 NGPU=${NGPU:-"2"}
-LOG_RANK=0,1
+LOG_RANK=${LOG_RANK:-0,1}
 CONFIG_FILE=${CONFIG_FILE:-"./train_configs/debug_model.toml"}
-MAX_RESTARTS=5
+MAX_RESTARTS=0
 
 overrides=""
 if [ $# -ne 0 ]; then
diff --git a/submitit_train.py b/submitit_train.py
index 0b64937f..8c4c597b 100644
--- a/submitit_train.py
+++ b/submitit_train.py
@@ -6,13 +6,13 @@
 
 if __name__ == "__main__":
     executor = submitit.AutoExecutor(folder="~/slurm_jobs/titan/job_%j")
-    n_gpus = 8
+    n_gpus = 4
     executor.update_parameters(
         name="titan", timeout_min=3 * 24 * 60,
         gpus_per_node=n_gpus,
         nodes=1, mem_gb=80, cpus_per_task=n_gpus * 4,
         slurm_additional_parameters={
-            "partition": "h100"
+            "partition": "a100"
         }
     )
 
diff --git a/test/assets/chemlactica_valid_mini/file0.jsonl b/test/assets/chemlactica_valid_mini/file0.jsonl
new file mode 100644
index 00000000..a1f6c350
--- /dev/null
+++ b/test/assets/chemlactica_valid_mini/file0.jsonl
@@ -0,0 +1,300 @@
+{"synonyms": [{"name": "SCHEMBL826903"}], "related": [{"SMILES": "CCC(=O)OCOc1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2n1", "similarity": 0.7416666666666667}, {"SMILES": "CC1CC(CNC(=O)OCOc2ccc3ccc(OCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3n2)C1", "similarity": 0.6893939393939394}, {"SMILES": "CC(C)Oc1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2n1", "similarity": 0.7699115044247787}, {"SMILES": "CC(=O)OCOc1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2n1", "similarity": 0.7606837606837606}, {"SMILES": "COC(=O)OCOc1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2n1", "similarity": 0.7416666666666667}], "experimental": [], "CID": 66810503, "SMILES": "CC(C)(C)NC(=O)Oc1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2n1", "SAS": 2.62, "WEIGHT": 544.2, "TPSA": 66.93, "CLOGP": 6.41, "QED": 0.33, "NUMHDONORS": 1, "NUMHACCEPTORS": 6, "NUMHETEROATOMS": 9, "NUMROTATABLEBONDS": 8, "NOCOUNT": 7, "NHOHCOUNT": 1, "RINGCOUNT": 4, "HEAVYATOMCOUNT": 37, "FRACTIONCSP3": 0.43, "NUMAROMATICRINGS": 3, "NUMSATURATEDRINGS": 1, "NUMAROMATICHETEROCYCLES": 1, "NUMAROMATICCARBOCYCLES": 2, "NUMSATURATEDHETEROCYCLES": 1, "NUMSATURATEDCARBOCYCLES": 0, "NUMALIPHATICRINGS": 1, "NUMALIPHATICHETEROCYCLES": 1, "NUMALIPHATICCARBOCYCLES": 0, "IUPAC": "[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N-tert-butylcarbamate", "formula": "C28H34Cl2N4O3"}
+{"synonyms": [], "related": [{"SMILES": "NC(=O)C(O)C(O)c1cccc(-c2ccc(Oc3ccc(Cl)cn3)cc2)n1", "similarity": 0.7865168539325843}, {"SMILES": "O=C(NCc1ccc(-c2ccccc2OC(F)(F)F)cn1)C(O)C(O)c1ccccn1", "similarity": 0.4049586776859504}], "experimental": [], "CID": 78110791, "SMILES": "NC(=O)C(O)C(O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1", "SAS": 3.28, "WEIGHT": 419.11, "TPSA": 118.56, "CLOGP": 2.83, "QED": 0.57, "NUMHDONORS": 3, "NUMHACCEPTORS": 6, "NUMHETEROATOMS": 10, "NUMROTATABLEBONDS": 6, "NOCOUNT": 7, "NHOHCOUNT": 4, "RINGCOUNT": 3, "HEAVYATOMCOUNT": 30, "FRACTIONCSP3": 0.15, "NUMAROMATICRINGS": 3, "NUMSATURATEDRINGS": 0, "NUMAROMATICHETEROCYCLES": 2, "NUMAROMATICCARBOCYCLES": 1, "NUMSATURATEDHETEROCYCLES": 0, "NUMSATURATEDCARBOCYCLES": 0, "NUMALIPHATICRINGS": 0, "NUMALIPHATICHETEROCYCLES": 0, "NUMALIPHATICCARBOCYCLES": 0, "IUPAC": "2,3-dihydroxy-3-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyridin-2-yl]propanamide", "formula": "C20H16F3N3O4"}
+{"synonyms": [{"name": "BRD-K24360824-001-01-7"}], "related": [{"SMILES": "COc1ccc2c3c([nH]c2c1)C(CO)N(C(=O)C1CCOCC1)CC31CN(S(C)(=O)=O)C1", "similarity": 0.5258620689655172}, {"SMILES": "COc1ccc2c3c(n(C)c2c1)C(CO)N(C(=O)C1CC1)CC31CN(Cc2ccccc2OC)C1", "similarity": 0.5245901639344263}, {"SMILES": "COc1ccc2c3c(n(C)c2c1)C(CO)N(C(C)=O)CC31CCN(C(=O)C2CC2)CC1", "similarity": 0.6111111111111112}, {"SMILES": "CCCC(=O)N1CC2(CN(S(=O)(=O)CC)C2)c2c(n(C)c3cc(OC)ccc23)C1CO", "similarity": 0.5495495495495496}, {"SMILES": "COc1ccc2c3c(n(C)c2c1)C(CO)N(C(=O)C1CCC1)CC31CN(C)C1", "similarity": 0.6836734693877551}, {"SMILES": "CCS(=O)(=O)N1CC2(CN(C)C(CO)c3c2c2ccc(OC)cc2n3C)C1", "similarity": 0.5631067961165048}, {"SMILES": "CCCC(=O)N1CC2(C1)CN(C(=O)CC1CC1)C(CO)c1c2c2ccc(OC)cc2n1C", "similarity": 0.5714285714285714}, {"SMILES": "CCS(=O)(=O)N1CC2(CN(Cc3ccccc3)C(CO)c3c2c2ccc(OC)cc2n3C)C1", "similarity": 0.47540983606557374}, {"SMILES": "COc1ccc2c3c(n(C)c2c1)C(CO)N(Cc1ccccc1OC)CC31CN(C(=O)C2CC2)C1", "similarity": 0.576271186440678}, {"SMILES": "COc1ccc2c3c(n(C)c2c1)C(CO)N(S(C)(=O)=O)CC31CN(C(=O)C2CCC2)C1", "similarity": 0.9325842696629213}, {"SMILES": "CCC(=O)N1CC2(CN(C(=O)Cc3ccccc3)C2)c2c(n(C)c3cc(OC)ccc23)C1CO", "similarity": 0.47580645161290325}, {"SMILES": "COc1ccc2c3c(n(C)c2c1)C(CO)N(C(=O)C1CCC1)CC31CN(Cc2cccc(F)c2)C1", "similarity": 0.55}, {"SMILES": "CCC(=O)N1CC2(CN(S(C)(=O)=O)C2)c2c(n(C)c3cc(OC)ccc23)C1CO", "similarity": 0.6116504854368932}], "experimental": [], "CID": 60193941, "SMILES": "COc1ccc2c3c(n(C)c2c1)C(CO)N(S(C)(=O)=O)CC31CN(C(=O)C2CCCC2)C1", "SAS": 3.81, "WEIGHT": 461.2, "TPSA": 92.08, "CLOGP": 1.77, "QED": 0.75, "NUMHDONORS": 1, "NUMHACCEPTORS": 6, "NUMHETEROATOMS": 9, "NUMROTATABLEBONDS": 4, "NOCOUNT": 8, "NHOHCOUNT": 1, "RINGCOUNT": 5, "HEAVYATOMCOUNT": 32, "FRACTIONCSP3": 0.61, "NUMAROMATICRINGS": 2, "NUMSATURATEDRINGS": 2, "NUMAROMATICHETEROCYCLES": 1, "NUMAROMATICCARBOCYCLES": 1, "NUMSATURATEDHETEROCYCLES": 1, "NUMSATURATEDCARBOCYCLES": 1, "NUMALIPHATICRINGS": 3, "NUMALIPHATICHETEROCYCLES": 2, "NUMALIPHATICCARBOCYCLES": 1, "IUPAC": "cyclopentyl-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone", "formula": "C23H31N3O5S"}
+{"synonyms": [{"name": "SCHEMBL1321459"}], "related": [], "experimental": [], "CID": 66991907, "SMILES": "Cc1ccc2nc(NC(=O)C3CCC(F)(F)CC3)c(-c3nccs3)n2n1", "SAS": 3.03, "WEIGHT": 377.11, "TPSA": 72.18, "CLOGP": 3.93, "QED": 0.75, "NUMHDONORS": 1, "NUMHACCEPTORS": 6, "NUMHETEROATOMS": 9, "NUMROTATABLEBONDS": 3, "NOCOUNT": 6, "NHOHCOUNT": 1, "RINGCOUNT": 4, "HEAVYATOMCOUNT": 26, "FRACTIONCSP3": 0.41, "NUMAROMATICRINGS": 3, "NUMSATURATEDRINGS": 1, "NUMAROMATICHETEROCYCLES": 3, "NUMAROMATICCARBOCYCLES": 0, "NUMSATURATEDHETEROCYCLES": 0, "NUMSATURATEDCARBOCYCLES": 1, "NUMALIPHATICRINGS": 1, "NUMALIPHATICHETEROCYCLES": 0, "NUMALIPHATICCARBOCYCLES": 1, "IUPAC": "4,4-difluoro-N-[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-2-yl]cyclohexane-1-carboxamide", "formula": "C17H17F2N5OS"}
+{"synonyms": [{"name": "AKOS027157990"}], "related": [], "experimental": [], "CID": 122046461, "SMILES": "Cc1nnc2n1CC(C(=O)O)N(Cc1cc(Cl)sc1Cl)C2", "SAS": 3.6, "WEIGHT": 346.01, "TPSA": 71.25, "CLOGP": 2.42, "QED": 0.92, "NUMHDONORS": 1, "NUMHACCEPTORS": 6, "NUMHETEROATOMS": 9, "NUMROTATABLEBONDS": 3, "NOCOUNT": 6, "NHOHCOUNT": 1, "RINGCOUNT": 3, "HEAVYATOMCOUNT": 21, "FRACTIONCSP3": 0.42, "NUMAROMATICRINGS": 2, "NUMSATURATEDRINGS": 0, "NUMAROMATICHETEROCYCLES": 2, "NUMAROMATICCARBOCYCLES": 0, "NUMSATURATEDHETEROCYCLES": 0, "NUMSATURATEDCARBOCYCLES": 0, "NUMALIPHATICRINGS": 1, "NUMALIPHATICHETEROCYCLES": 1, "NUMALIPHATICCARBOCYCLES": 0, "IUPAC": "7-[(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid", "formula": "C12H12Cl2N4O2S"}
+{"synonyms": [{"name": "ZINC19131493"}, {"name": "AKOS030388090"}], "related": [{"SMILES": "Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2C)cnc1C1=CCC(N(C)C(=O)C(C)(C)C)CC1", "similarity": 0.21153846153846154}, {"SMILES": "Cn1cc(CN(Cc2ccccn2)CC2CCC(=O)N2)c(-c2ccccc2F)n1", "similarity": 0.22695035460992907}, {"SMILES": "O=c1cccc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)[nH]1", "similarity": 0.34146341463414637}, {"SMILES": "CCc1c(C2CC2)c(C(F)(F)F)nn1CC(=O)NC(Cc1cc(F)cc(F)c1)c1ncccc1C1=CC(C(N)=O)C(F)C=C1", "similarity": 0.22093023255813954}, {"SMILES": "O=c1cc(-c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2CCO)cc[nH]1", "similarity": 0.4166666666666667}, {"SMILES": "CNC(=O)NC1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)CC1", "similarity": 0.34306569343065696}, {"SMILES": "CC(C)(N)CNC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1", "similarity": 0.3884297520661157}, {"SMILES": "C=CC(=CC=C(N)C(=O)NCc1ccccc1)n1nc(-c2cccnc2)cc1C(F)(F)F", "similarity": 0.2971014492753623}, {"SMILES": "O=c1ccc(-c2c(-c3ccccc3F)nn3ccncc23)c[nH]1", "similarity": 0.31092436974789917}, {"SMILES": "Cc1ccc(-c2cc(-c3ccc(F)cc3)nn2CCNC(=O)CC(C)n2cccn2)nc1", "similarity": 0.5083333333333333}, {"SMILES": "Cc1ccc(F)c(NC(=O)C=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c1", "similarity": 0.3560606060606061}, {"SMILES": "CC(C)(C)c1cc(C(F)(F)F)n(CC(=O)NC(Cc2cc(F)cc(F)c2)c2ncccc2C2=CC(C(N)=O)C(F)C=C2)n1", "similarity": 0.23353293413173654}, {"SMILES": "CC(=O)NCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O", "similarity": 0.3709677419354839}, {"SMILES": "CCC(=O)n1nc(-c2ccccn2)cc1CCc1ccc(F)cc1", "similarity": 0.3277310924369748}, {"SMILES": "Cc1cc(C)n(CC(=O)NCCn2ncc(-c3ccncc3)c2-c2ccc(F)cc2)c(=O)n1", "similarity": 0.4523809523809524}, {"SMILES": "O=C(NCc1cccnc1)c1cnn(-c2cccc(F)c2)c1-c1ccccc1", "similarity": 0.3790322580645161}, {"SMILES": "CC(NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1", "similarity": 0.4180327868852459}, {"SMILES": "O=C(C=Cc1ccccc1F)NCCn1cc(-c2ccncc2)cn1", "similarity": 0.3170731707317073}, {"SMILES": "CCc1c(C(=O)NC(C)c2ccncc2)cnn1-c1ccc(F)cc1", "similarity": 0.3333333333333333}, {"SMILES": "Cn1ccc(C(=O)N2CCC(C(NC(=O)c3cccc(F)c3)c3ccccn3)CC2)n1", "similarity": 0.24475524475524477}, {"SMILES": "O=C(C=Cc1cn(-c2ccccc2)nc1-c1cccnc1)NCc1cccc(F)c1", "similarity": 0.3511450381679389}, {"SMILES": "Cc1cc(-c2ccc(F)cc2)cc(C2CCCCN2C(=O)C(C)Cn2ccc(C)n2)n1", "similarity": 0.291970802919708}, {"SMILES": "Cc1cnc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)cn1", "similarity": 0.6923076923076923}, {"SMILES": "CCc1c(C(=O)NCc2ccccn2)c(C)nn1-c1ccc(F)cc1", "similarity": 0.3445378151260504}, {"SMILES": "O=C(NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)c1cc[nH]c(=O)c1", "similarity": 0.7254901960784313}, {"SMILES": "CN(C(=O)c1cnn(C)c1)C(c1cccc(F)c1)c1ccccn1", "similarity": 0.24603174603174602}, {"SMILES": "O=C(NCCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1)c1cccnc1", "similarity": 0.48717948717948717}, {"SMILES": "Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCCC(=O)NCc2ccncc2)c1", "similarity": 0.42748091603053434}, {"SMILES": "Cc1ccc(F)cc1NC(=O)C=Cc1cn(-c2ccccc2)nc1-c1cccnc1", "similarity": 0.375}, {"SMILES": "Cn1nc(CNC(=O)c2ccc(F)cc2)cc1-c1ccncc1", "similarity": 0.38392857142857145}, {"SMILES": "Cc1c(C(C)NC(=O)C=Cc2cccnc2)cnn1-c1ccc(F)cc1", "similarity": 0.3360655737704918}, {"SMILES": "CCNC(=O)Cn1ccc(-c2cccc(-c3cccc(C(F)(F)F)n3)c2)n1", "similarity": 0.2992125984251969}], "experimental": [], "CID": 92555963, "SMILES": "Cc1ccc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)c(=O)[nH]1", "SAS": 2.49, "WEIGHT": 417.16, "TPSA": 92.67, "CLOGP": 3.18, "QED": 0.5, "NUMHDONORS": 2, "NUMHACCEPTORS": 5, "NUMHETEROATOMS": 8, "NUMROTATABLEBONDS": 6, "NOCOUNT": 7, "NHOHCOUNT": 2, "RINGCOUNT": 4, "HEAVYATOMCOUNT": 31, "FRACTIONCSP3": 0.13, "NUMAROMATICRINGS": 4, "NUMSATURATEDRINGS": 0, "NUMAROMATICHETEROCYCLES": 3, "NUMAROMATICCARBOCYCLES": 1, "NUMSATURATEDHETEROCYCLES": 0, "NUMSATURATEDCARBOCYCLES": 0, "NUMALIPHATICRINGS": 0, "NUMALIPHATICHETEROCYCLES": 0, "NUMALIPHATICCARBOCYCLES": 0, "IUPAC": "N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide", "formula": "C23H20FN5O2"}
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"N#Cc1ccc(-c2nc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)c4)cc3)cc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)c4)cc3)n2)cc1", "similarity": 0.4990892531876138}, {"SMILES": "[C-]#[N+]c1ccccc1-c1cc(-c2ccc(-c3ccc(-c4c(C#N)cc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4C#N)cc3)cc2)nc(-c2ccccc2[N+]#[C-])n1", "similarity": 0.36493738819320215}, {"SMILES": "[C-]#[N+]c1cc(-c2cc(-c3ccccc3[N+]#[C-])nc(-c3ccccc3[N+]#[C-])n2)ccc1-c1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1", "similarity": 0.36823104693140796}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1", "similarity": 0.38095238095238093}, {"SMILES": "Cc1ccc(-c2c(-n3c4ccccc4c4cc(C(C)(C)C)ccc43)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4cc(C(C)(C)C)ccc43)c(-n3c4ccccc4c4cc(C(C)(C)C)ccc43)c2-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(C)n1", "similarity": 0.36271186440677966}, {"SMILES": "N#Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1", "similarity": 0.37735849056603776}, {"SMILES": "Cc1cccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc3C)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.2862453531598513}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6n(-c6ccc(-c7nc(-c8cccc(-n9c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)ccc%10c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%109)c8)nc(-c8cccc(-n9c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)ccc%10c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%109)c8)n7)cc6)c5c4)ccc32)cc1", "similarity": 0.6571879936808847}, {"SMILES": "Cc1ccccc1-c1cc(-c2ccc(-c3cc(C)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(C)c3)cc2)nc(-c2ccccc2C)n1", "similarity": 0.2899628252788104}, {"SMILES": "Cc1cccc(-c2cc(-c3cc(C)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(C)c3)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.2876190476190476}, {"SMILES": "Cc1ccc(-c2cc(-c3cc(C)c(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3C)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.30451127819548873}, {"SMILES": "Cc1cccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccc(C)cc8c8cc(C)ccc87)ccc65)cc4)cc3)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.33976833976833976}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1", "similarity": 0.4332129963898917}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1", "similarity": 0.5037453183520599}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)ccc54)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.5037453183520599}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cccc(-c5cc(-c6cccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)nc(-c6cccc(-n7c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc8c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc87)c6)n5)c4)ccc32)cc1", "similarity": 0.6545741324921136}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc6n(-c6cccc(-c7nc(-c8cccc(-n9c%10ccc(-c%11ccc%12c%13ccccc%13n(-c%13ccccc%13)c%12c%11)cc%10c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%109)c8)nc(-c8cccc(-n9c%10ccc(-c%11ccc%12c%13ccccc%13n(-c%13ccccc%13)c%12c%11)cc%10c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%109)c8)n7)c6)c5c4)ccc32)cc1", "similarity": 0.64937106918239}, {"SMILES": "Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)c(C)c1", "similarity": 0.33882783882783885}, {"SMILES": "c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-c4ccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)n3)cc2)cc1", "similarity": 0.6649572649572649}, {"SMILES": "C=CC=C1c2ccccc2N(c2ccccc2)C1CC(=CC=C)N(c1cccc(-c2nc(-c3cccc(N(c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc(-c3cccc(N(c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)c1)C(C)N(c1ccccc1)c1ccccc1C(=C)C", "similarity": 0.5138888888888888}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.3705103969754253}, {"SMILES": "CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1ccccc1)c1c3cc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccc(C#N)cc9)n8)c7c7c(c65)C(C)(C)c5ccccc5-7)c4)ccc3n(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c21", "similarity": 0.4393939393939394}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccc6c7cc(-n8c9ccccc9c9ccccc98)ccc7n(-c7ccccc7)c6c5)c4)cc3)n2)cc1", "similarity": 0.3966165413533835}, {"SMILES": "Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.3364140480591497}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(-c9ccc%10c(c9)c9ccc(-c%11ccc%12c%13cc(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccccc%14)ccc%13n(-c%13cccc(-c%14nc(-n%15c%16ccccc%16c%16cc(-c%17ccc%18c(c%17)c%17ccccc%17n%18-c%17ccccc%17)ccc%16%15)c%15ccccc%15n%14)c%13)c%12c%11)cc9n%10-c9ccccc9)cc8)ccc76)c6ccccc6n5)cc4)ccc32)cc1", "similarity": 0.6046176046176046}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-n6c7ccccc7c7ccc8c9cc(-c%10ccc%11c(c%10)c%10cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%10n%11-c%10ccc(-c%11nc(-n%12c%13ccccc%13c%13ccc(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccccc%14)cc%13%12)nc%12ccccc%11%12)cc%10)ccc9n(-c9ccccc9)c8c76)nc6ccccc56)cc4)ccc32)cc1", "similarity": 0.627906976744186}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)ccc3n4-c3ccccc3)n2)cc1", "similarity": 0.3020257826887661}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7n(-c7ccccc7)c6c4n5-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)n2)cc1", "similarity": 0.5148148148148148}, {"SMILES": "C1=Cc2ccc3c4c(ccc5c6ccc7ccccc7c6n(-c6cc(-c7nc(-c8ccccc8)nc(-c8ccc9ccccc9c8)n7)cc(-n7c8ccc9c%10ccc%11ccccc%11c%10n(-c%10ccc%11ccccc%11c%10)c9c8c8ccc9ccccc9c87)c6)c54)n(-c4ccccc4)c3c2CC1", "similarity": 0.34539473684210525}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-c4cccc5c4c4c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c4n5-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c3ccccc3n2)cc1", "similarity": 0.3574007220216607}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-n7c8ccccc8c8c9c%10ccccc%10n(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9ccc87)c6)c5cc43)n2)cc1", "similarity": 0.39162112932604737}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c5c(ccc6c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c65)n(-c5ccccc5)c4c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.3141263940520446}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)c5)nc5ccccc45)ccc32)cc1", "similarity": 0.39594843462246776}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5cc(-c6cccc(-c7cccc(-c8cccc(-n9c%10ccc(-c%11ccccc%11)cc%10c%10c(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)c%11)cccc%109)c8)c7)c6)nc(-c6ccccc6)n5)c4)cccc2n3-c2ccccc2)cc1", "similarity": 0.445993031358885}, {"SMILES": "N#Cc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7cc(-c8ccccc8)cc(-c8cccc(-n9c%10ccccc%10c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11nc(-c%12ccccc%12)cc(-c%12ccc(-c%13ccc(C#N)cc%13)cc%12)n%11)ccc%109)c8)c7)c6)ccc54)n3)cc2)cc1", "similarity": 0.5734265734265734}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.4034749034749035}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(C)ccc43)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1C", "similarity": 0.3764478764478765}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4c5c6cc7ccccc7cc6n6c7ccccc7c(cc43)c56)nc3ccc4cc(-c5cccc6c5ccc5c6c6c7c8ccccc8n(-c8nc(-c9ccccc9)c9c(ccc%10ccccc%109)n8)c7cc7c8ccccc8n5c76)ccc4c23)cc1", "similarity": 0.3610648918469218}, {"SMILES": "c1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c1", "similarity": 0.3320825515947467}, {"SMILES": "c1ccc(-n2c3ccccc3c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6cc(-c7cccc8c7c7cccc(-c9nc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccc(-c%12cccc(-n%13c%14ccccc%14n%14c%15ccc%16c%17ccccc%17n(-c%17ccccc%17-c%17nc(-n%18c%19ccccc%19c%19ccccc%19%18)nc(-n%18c%19ccccc%19c%19ccccc%19%18)n%17)c%16c%15nc%13%14)c%12)cc%11%10)n9)c7n8-c7ccccc7)ccc65)n4)c32)cc1", "similarity": 0.5298507462686567}, {"SMILES": "C1=C(c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc7n8-c7ccccc7)ccc65)cc4)c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc8n9-c8ccccc8)ccc76)c5)ccc4n3)c2)CC2C(=C1)N(c1ccccc1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc12", "similarity": 0.6298003072196621}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc3c(c2)c2cc(-n4c5ccc(-c6ccc(C)cc6)cc5c5cc(-c6ccc(C)cc6)ccc54)ccc2n3-c2nc(-c3c4ccccc4cc4ccccc34)nc(-c3c4ccccc4cc4ccccc34)n2)cc1", "similarity": 0.4409171075837742}, {"SMILES": "c1ccc(-c2ccccc2-c2cc(-c3cccc(-c4ccc5c(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8cccc(-c9nc(-c%10cccc%11ccccc%10%11)cc(-c%10cccc%11ccccc%10%11)n9)c8)c76)cccc5c4)c3)cc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7ccccc7c6)c45)c3)n2)cc1", "similarity": 0.49072512647554806}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.4229390681003584}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccccc5)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1", "similarity": 0.4075471698113208}, {"SMILES": "c1ccc(C2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11n(-c%11ccccc%11)c%10c9)ccc87)c6)nc6ccc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c%12ccc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)cc%12n(-c%12ccccc%12)c%11c%10)ccc98)cc7)cc56)c4)cc32)cc1", "similarity": 0.6323076923076923}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)ccc32)cc1", "similarity": 0.43902439024390244}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)n5)cc4)ccc32)cc1", "similarity": 0.43902439024390244}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(C)ccc21", "similarity": 0.29699248120300753}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6n(-c6ccc(-c7cc(-c8ccc(-n9c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)ccc%10c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%109)cc8)nc(-c8cccc(-n9c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)ccc%10c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%109)c8)n7)cc6)c5c4)ccc32)cc1", "similarity": 0.6624405705229794}, {"SMILES": "c1ccc(-c2ccccc2-c2cccc(-c3nc(-c4cccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)cc(-c4cccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)n3)c2)cc1", "similarity": 0.6408450704225352}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1", "similarity": 0.30868761552680224}, {"SMILES": "c1cc(-c2nc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)nc(-c6ccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc6)nc5c4)cc3)c3ccccc3n2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1", "similarity": 0.4954296160877514}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cccc(-c5nc(-c6ccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c7ccccc67)c6ccccc6n5)c4)ccc32)cc1", "similarity": 0.5852372583479789}, {"SMILES": "c1cc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)nc3ccccc23)cc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)c1", "similarity": 0.564625850340136}, {"SMILES": "CC=Cc1c(CC)c2ccccc2n1-c1cccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5cccc(-n6c7ccccc7c7ccccc76)n5)c4)c32)c1", "similarity": 0.36460176991150445}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2cccc(-n3c4ccccc4c4c(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)cccc43)c2)cc1", "similarity": 0.4144981412639405}, {"SMILES": "Cc1ccccc1-c1cc(-c2ccc(-c3ccc(-c4cc(C)c(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c(C)c4)cc3)cc2)nc(-c2ccccc2C)n1", "similarity": 0.395910780669145}, {"SMILES": "Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21", "similarity": 0.3687258687258687}, {"SMILES": "Cc1cccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.40733590733590735}, {"SMILES": "[C-]#[N+]c1ccccc1-c1cc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21", "similarity": 0.44669117647058826}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)c1", "similarity": 0.3880070546737213}, {"SMILES": "Cc1ccc2c(c1)c1cc(-c3nc(-c4ccc5c(c4)c4cc(C)ccc4n5-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)nc(-c4ccc5c(c4)c4cc(C)ccc4n5-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)n3)ccc1n2-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.4608540925266904}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1", "similarity": 0.30386740331491713}, {"SMILES": "c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1", "similarity": 0.3781818181818182}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(C#N)c2)cc1", "similarity": 0.35036496350364965}, {"SMILES": "[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2)cc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3)cc2)n1", "similarity": 0.4086629001883239}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cccc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.4074074074074074}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)n6)c5ccc43)n2)cc1", "similarity": 0.37613019891500904}, {"SMILES": "C=CC.c1ccc(-c2cccc(-c3cc4c(c5ccccc5n4-c4ccccc4)c4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.26972477064220185}, {"SMILES": "C=CC=Cc1cc2c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5)n4)cc3n(-c3ccccc3)c2cc1C", "similarity": 0.3005464480874317}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)n1", "similarity": 0.3248638838475499}, {"SMILES": "Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)cc1-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1", "similarity": 0.2994350282485876}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc5c(c4)c4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc4n5-c4ccccc4)c3)n2)cc1", "similarity": 0.44814814814814813}, {"SMILES": "CC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc4c3c3cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7cc(-c8ccc9c(c8)-c8ccccc8C9(C)C)c8c9ccccc9n(-c9ccccc9)c8c7)n6)c5)ccc3n4-c3ccccc3)ccc21", "similarity": 0.40955631399317405}, {"SMILES": "Cc1cc(-c2ccccn2)ccc1-c1cc(-c2cc(-c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3ccc(-c4ccccn4)cc3C)cc(-c3cccc(-c4cc(-c5cc6c7ccccc7n(-c7ccccc7)c6cc5-c5ccc(-c6ccccn6)cc5C)cc(-c5cc6c7ccccc7n(-c7ccccc7)c6cc5-c5ccc(-c6ccccn6)cc5C)c4)c3-c3ccc(-c4ncccn4)cc3)c2)c2c3ccccc3n(-c3ccccc3)c2c1", "similarity": 0.5294117647058824}, {"SMILES": "Cc1cc(C)cc(-c2ccc(-c3cc(C)cc(C)c3)c(-c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c2)c1", "similarity": 0.45585585585585586}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)cc(-c3ccc4cc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc4c3)n2)cc1", "similarity": 0.6099290780141844}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5nc(-c6ccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)cc6)c6ccccc6n5)cc4)ccc32)cc1", "similarity": 0.5780141843971631}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)cc3C#N)nc(-c3ccc(C#N)cc3)n2)cc1", "similarity": 0.38321167883211676}, {"SMILES": "N#Cc1cc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)ccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.37735849056603776}, {"SMILES": "c1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c4ccc32)nc(-n2c3ccccc3c3ccccc32)n1", "similarity": 0.38240574506283664}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1", "similarity": 0.5632582322357019}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c5c(ccc6c7ccccc7n(-c7ccccc7)c65)n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.32149532710280376}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccc6c(c5)c5ccc(-n7c8ccccc8c8ccccc87)cc5n6-c5ccccc5)c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.46441947565543074}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5ccc43)n2)cc1", "similarity": 0.31588785046728973}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7nc(-c8ccccc8)nc(-n8c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)cc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)ccc98)n7)ccc5-6)ccc43)cc21", "similarity": 0.5947611710323575}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5cccc(-c6cc(-c7cccc(-c8ccc9c%10ccccc%10n(-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)c9c8)c7)nc(-c7cccc(-c8ccc9c%10ccccc%10n(-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)c9c8)c7)n6)c5)cc43)cc21", "similarity": 0.4217687074829932}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C(C)(C)c5cc(-c7nc(-c8ccccc8)cc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)ccc98)n7)ccc5-6)ccc43)cc21", "similarity": 0.4440619621342513}, {"SMILES": 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"similarity": 0.34050179211469533}, {"SMILES": "CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2ccccc2C#N)cc1-c1cccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5c(-c6cc(-c7ccccc7C#N)ccc6-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)n4)cc3)cc2)n1", "similarity": 0.5575757575757576}, {"SMILES": "Cc1cc(-c2ccccn2)c[c-]c1-c1cc(-c2cc(-c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3c[c-]c(-c4ccccn4)cc3C)cc(-c3cccc(-c4cc(-c5cc6c7ccccc7n(-c7ccccc7)c6cc5-c5c[c-]c(-c6ccccn6)cc5C)cc(-c5cc6c7ccccc7n(-c7ccccc7)c6cc5-c5c[c-]c(-c6ccccn6)cc5C)c4)c3-c3c[c-]c(-c4ncccn4)[c-]c3)c2)c2c3ccccc3n(-c3ccccc3)c2c1.[Ir+3].[Ir+3]", "similarity": 0.45374449339207046}, {"SMILES": "[C-]#[N+]c1ccccc1-c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1", "similarity": 0.575591985428051}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4cccc(-c5cc(-c6cccc(N(c7ccc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)cc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)nc(-c6cccc(N(c7ccc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)cc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)n5)c4)ccc32)cc1", "similarity": 0.5894568690095847}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)n4)c3)c2)cc1", "similarity": 0.5367647058823529}, {"SMILES": "c1ccc(-c2nc(-n3c4ccc(-c5ccc(-c6nc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)nc7ccccc67)cc5)cc4c4cc(-c5cc6c7ccccc7n(-c7ccccc7)c6c6ccccc56)ccc43)nc3ccccc23)cc1", "similarity": 0.45293072824156305}, {"SMILES": "CC(C)(C)c1nc(-n2c3ccccc3c3cc(-n4c5c(c6ccccc64)CCC=C5)ccc32)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)n1", "similarity": 0.27223230490018147}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-c4cccc5cc(-n6c7ccccc7c7c8c9ccccc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8ccc76)ccc45)cc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8ccccc8c7)c6ccc54)cc3)n2)cc1", "similarity": 0.4797891036906854}, {"SMILES": "Nc1nc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4ccccc4)cc32)cc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4ccccc4)cc32)n1", "similarity": 0.4911660777385159}, {"SMILES": "c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5cc6c7c8ccccc8c(-c8ccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11cc(-n%12c%13ccccc%13c%13cc%14c%15c%16ccccc%16c(-c%16ccccc%16)cc%15n(-c%15ccc%16ccccc%16c%15)c%14cc%13%12)cc%12ccccc%11%12)n%10)c9)cc8)cc7n(-c7ccccc7)c6cc54)cc4ccccc34)n2)cc1", "similarity": 0.5459098497495827}, {"SMILES": "CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4cc(-c5ccc(C#N)cc5)ccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc(C(C)(C)C)c1", "similarity": 0.39965986394557823}, {"SMILES": "N#Cc1ccccc1-c1cc(-c2c(C#N)cc(-c3ccc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3)cc2C#N)nc(-c2ccccc2C#N)n1", "similarity": 0.3600713012477718}, {"SMILES": "N#Cc1cccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)c(C#N)c3)nc(-c3cccc(C#N)c3)n2)c1", "similarity": 0.3806921675774135}, {"SMILES": "N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4C#N)nc(-c4ccccc4C#N)n3)cc2)cc1", "similarity": 0.33035714285714285}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(c5ccccc5n4-c4ccccc4)c4c3c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1", "similarity": 0.3020257826887661}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9cccc(-c%10ccccc%10)n9)c8c76)n5)c43)n2)cc1", "similarity": 0.3393177737881508}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cccc(-c5nc(-c6cccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)nc(-c6cccc(-n7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)n5)c4)ccc32)cc1", "similarity": 0.6467817896389325}, {"SMILES": "c1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1", "similarity": 0.4141048824593128}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7n(-c7cccc(-c8nc(-c9ccccc9)c9cc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)cc%11%10)ccc9n8)c7)c6c5)ccc43)cc21", "similarity": 0.5739268680445151}, {"SMILES": "[Na+].[c-]1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1nc(-c2ccccc2)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)n1.[c-]1ccccc1-c1[c-]cccc1", "similarity": 0.3333333333333333}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccccc2-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1", "similarity": 0.37722419928825623}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7nc(-c8cccc(-n9c%10ccccc%10c%10cc(-c%11ccc%12c(c%11)c%11cc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)ccc%11n%12-c%11ccccc%11)ccc%109)c8)nc(-c8cccc(-n9c%10ccccc%10c%10cc(-c%11ccc%12c(c%11)c%11cc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)ccc%11n%12-c%11ccccc%11)ccc%109)c8)n7)c6)ccc4n5-c4ccccc4)ccc32)cc1", "similarity": 0.6467817896389325}, {"SMILES": "Cc1ccccc1-c1nc(-c2ccccc2)cc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(Cc6ccc(-c7nc(-c8ccccc8)cc(-c8ccc(-n9c%10ccccc%10c%10cc(N(c%11ccccc%11)c%11ccccc%11)ccc%109)cc8)n7)cc6)cc5)ccc43)cc2)n1", "similarity": 0.4514991181657848}, {"SMILES": "[C-]#[N+]c1cc(C#N)cc(-c2ccc(-c3nc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)c4)cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)n3)cc2)c1", "similarity": 0.49458483754512633}, {"SMILES": "c1ccc(-c2ccccc2-c2nc(-c3cc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3c2-c2cccc4cccc-3c24)cc1", "similarity": 0.5856164383561644}, {"SMILES": "c1ccc(-c2cc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.44814814814814813}, {"SMILES": "c1ccc(-c2cc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.3395176252319109}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5nc(-c6cccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccc%10c(c9)c9cc(-c%11ccccc%11)ccc9n%10-c9ccccc9)ccc87)c6)c6c(n5)-c5cccc7c(-c8ccccc8)ccc-6c57)cc4)ccc2n3-c2ccccc2)cc1", "similarity": 0.5400696864111498}, {"SMILES": "[C-]#[N+]c1cc(-c2cc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)c(C#N)cc1-c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1", "similarity": 0.33512544802867383}, {"SMILES": "[C-]#[N+]c1ccccc1-c1cc(-c2c(C#N)cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2C#N)nc(-c2ccccc2[N+]#[C-])n1", "similarity": 0.2982142857142857}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4c(C#N)cc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4C#N)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1", "similarity": 0.3471971066907776}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)c3)n2)cc1", "similarity": 0.4413919413919414}, {"SMILES": "N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5C#N)nc(-c5ccccc5C#N)n4)cc3)cc2)cc1", "similarity": 0.3600713012477718}, {"SMILES": "N#Cc1cccc(-c2cc(-c3ccc(-c4ccc(-c5cc(C#N)c(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)c(C#N)c5)cc4)cc3)nc(-c3cccc(C#N)c3)n2)c1", "similarity": 0.3723021582733813}, {"SMILES": "N#Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)cc1-c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1", "similarity": 0.3611111111111111}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)c(C#N)c3)nc(-c3ccc(C#N)cc3)n2)cc1", "similarity": 0.38321167883211676}, {"SMILES": "N#Cc1cccc(-c2cc(-c3cc(C#N)c(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)c(C#N)c3)nc(-c3cccc(C#N)c3)n2)c1", "similarity": 0.3447653429602888}, {"SMILES": "N#Cc1cccc(-c2cc(-c3ccc(-c4cc(C#N)c(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c(C#N)c4)cc3)nc(-c3cccc(C#N)c3)n2)c1", "similarity": 0.33992805755395683}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7n(-c7cccc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)c7)c6c5)ccc43)cc21", "similarity": 0.40353982300884955}, {"SMILES": "c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4cccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c4cc(-c5cccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)ccc4n3)c2)cc1", "similarity": 0.6324503311258278}, {"SMILES": "c1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3-n3c4ccccc4c4ccccc43)nc(-c3ccccc3)n2)cc1", "similarity": 0.5553539019963702}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)cc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6c(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)cccc65)c4)c3)n2)cc1", "similarity": 0.5471014492753623}, {"SMILES": "Cc1ccccc1-c1cc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc3)cc2C)nc(-c2ccccc2C)n1", "similarity": 0.2909090909090909}, {"SMILES": "c1ccc(-c2ccccc2-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)cc4)nc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)c4)n3)c2)cc1", "similarity": 0.48727272727272725}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)c3)n2)cc1", "similarity": 0.44280442804428044}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.2972972972972973}, {"SMILES": "c1cc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)c1", "similarity": 0.5311355311355311}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2)c(C)c1", "similarity": 0.3870967741935484}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3)nc3c2[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1", "similarity": 0.27387387387387385}, {"SMILES": "FC(F)(F)c1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21", "similarity": 0.5557586837294333}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccccc2-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1", "similarity": 0.35528596187175043}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc7c(c8c(n7-c7ccccc7)CCCC8)c65)ccc43)n2)cc1", "similarity": 0.25045372050816694}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)nc(-c3ccc(-c4ccc5c6c7c8ccccc8n(-c8cccc(-c9nc(-c%10ccccc%10)cc(-c%10ccc(-c%11ccc(-c%12ccc%13c%14c%15c%16ccccc%16n(-c%16cccc(-c%17cc(-c%18ccc%19ccccc%19c%18)nc(-c%18ccccc%18)n%17)c%16)c%15ccc%14n(-c%14ccccc%14)c%13c%12)cc%11)cc%10)n9)c8)c7ccc6n(-c6ccccc6)c5c4)c4ccccc34)c2)cc1", "similarity": 0.6833333333333333}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2)c(C)c1", "similarity": 0.3623693379790941}, {"SMILES": "C=CC=c1c(=CC)c2cc(-c3ccc4c5ccccc5n(-c5nc(-c6cc(-c7ccccc7)ccc6-c6ccccc6)nc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)n5)c4c3)ccc2n1-c1ccccc1", "similarity": 0.3736842105263158}, {"SMILES": "Cc1ccccc1-c1cc(-c2ccc3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n(-c4nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)nc(-n5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)c3c2)ccc1C", "similarity": 0.5367132867132867}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)nc6c5-c5ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c7cccc-6c57)cc4)ccc32)cc1", "similarity": 0.5864527629233511}, {"SMILES": "[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc(C#N)cc5)cc(-c5cc(C#N)cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C#N)cc8)ccc76)c5)n4)ccc32)cc1", "similarity": 0.37785588752196836}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(-c6nc(-c7ccc(-n8c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)cc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)ccc98)cc7)c7ccc8ccccc8c7n6)cc5)ccc43)cc21", "similarity": 0.5854430379746836}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)n2)cc1", "similarity": 0.352059925093633}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1", "similarity": 0.30824372759856633}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc5ccc(-n6c7ccc(-c8cccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc%12ccc(-n%13c%14ccccc%14c%14cc%15c%16ccccc%16n(-c%16ccccc%16)c%15cc%14%13)cc%12c%11)n%10)c9)c8)cc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cc5c4)n3)c2)cc1", "similarity": 0.5512367491166078}, {"SMILES": "c1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4cc3-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5ccccc5cc4-n4c5ccccc5c5ccccc54)n3)ccc2c1", "similarity": 0.40329218106995884}, {"SMILES": "CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2c1c1c(c3ccccc23)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c6ccccc6ccc5c5ccccc45)cc3)ccc2n1-c1nc(-c2ccccc2)nc(-c2ccccc2-c2ccccc2)n1.CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2c1c1c(c3ccccc23)c2cc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)ccc2n1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)cc1.CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2ccc3c4cc(N(c5cccc(-c6ccccc6)c5)c5ccc6ccccc6c5)ccc4n(-c4cc(-c5ccccc5-c5ccccc5)nc(-c5ccccc5)n4)c3c21", "similarity": 0.390194075587334}, {"SMILES": "Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1ccc(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3cc(-c4ccccc4C)ccc3c3ccc(-c4ccccc4C)cc32)n1.Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)n1", "similarity": 0.5287187039764359}, {"SMILES": "C1=CCC(c2nc(-c3ccccc3)cc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)n2)C=C1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21.Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21", "similarity": 0.5321782178217822}, {"SMILES": "[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc([N+]#[C-])c4)ccc2n3-c2c(-c3ccc(C#N)cc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc([N+]#[C-])cc2C#N)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccc(C#N)cc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc([N+]#[C-])cc2C#N)c1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3cc(-c4c(C#N)cc([N+]#[C-])cc4[N+]#[C-])ccc32)c(C#N)c1", "similarity": 0.4007398273736128}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)cc(-c7ccccc7)cc6c6cc(-c7ccccc7)cc(-c7ccccc7)c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6cccc(-c7ccccc7)c6c6c(-c7ccccc7)cccc65)c(-c5ccccc5)c4)n3)cc2)cc1", "similarity": 0.4213615023474178}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8ccccc8c8ccccc8c7c6)cc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)cc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c5)ccc43)cc2)cc1", "similarity": 0.7053291536050157}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)c6c54)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8-c8ccccc8)n7)c6c54)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cc(-c8ccccc8)cc(-c8ccccc8-c8ccccc8)c7)c6c54)n3)cc2)cc1", "similarity": 0.5353260869565217}, {"SMILES": "c1ccc(-c2ccc3c4ccc5c(c4n(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-5)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1", "similarity": 0.43276283618581907}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5cc4-n4c5ccccc5c5cc6cc(-n7c8ccccc8c8ccccc87)ccc6cc54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(-n6c7cc(-n8c9ccccc9c9ccccc98)ccc7c7cc8ccccc8cc76)cccc5c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4ccc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)c7ccccc7cc65)cc4c3)nc(-c3cccc4ccccc34)n2)cc1", "similarity": 0.5929721815519766}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3ccc(-c4cccnc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccnc4)cc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1", "similarity": 0.6516034985422741}, {"SMILES": "N#Cc1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2c1.N#Cc1ccc2c3ccccc3n(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.5785007072135785}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c(cc21)c1ccc(-c2ccccc2)cc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5240875912408759}, {"SMILES": "CC1(C)c2ccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)c4)c3)cc2-c2cc3c4cc5c(cc4n(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c3cc21)C(C)(C)c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c6ccccc6)c4)c3)c2)cc1-5.Cc1cc(C(C)(C)C)cc(C)c1-c1cccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6cccc(-c7cc(-c8cccc(-c9c(C)cc(C(C)(C)C)cc9C)c8)cc(-c8cccc(-c9c(C)cc(C(C)(C)C)cc9C)c8)c7)c6)nc(-n6c7ccccc7c7cc8c(cc76)C(C)(C)c6ccccc6-8)n5)c4)c3)cc(-c3cccc(-c4c(C)cc(C(C)(C)C)cc4C)c3)c2)c1", "similarity": 0.41238317757009346}, {"SMILES": "N#Cc1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3)n2)cc1.[C-]#[N+]c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)cc1-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccc(C#N)cc4)nc(-c4ccc(C#N)cc4)n3)cc2)ccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(C#N)c2)cc1.[C-]#[N+]c1cccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3)n2)c1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2)cc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2)n1", "similarity": 0.42560865644724977}, {"SMILES": "c1ccc(-c2ccc3c4cc5c6c7ccccc7ccc6n(-c6nc7ccccc7nc6-c6ccccc6)c5cc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4ccccc4n6-c4ccccc4)c3)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cc4c(cc3c3c5ccccc5ccc32)c2ccccc2n4-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6ccccc6ccc5n(-c5nc6ccccc6nc5-c5ccc6ccccc6c5)c4cc32)cc1", "similarity": 0.5231607629427792}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)n3)cc2)cc1", "similarity": 0.5090252707581228}, {"SMILES": "c1ccc2c(c1)cc(-c1nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)c3ccccc3n1)c1ccccc12.c1ccc2c(c1)ccc1cc(-c3nc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)c4ccccc4n3)ccc12.c1ccc2c(c1)ccc1ccc(-c3nc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)c4ccccc4n3)cc12", "similarity": 0.46889226100151743}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2cccc(C(F)(F)F)c2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2c(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)cccc2C(F)(F)F)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2c(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)cccc2C(F)(F)F)n1.FC(F)(F)c1cccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21", "similarity": 0.3491414554374489}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)c5)c4cc32)cc1", "similarity": 0.4491428571428571}, {"SMILES": "[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(-c3ccc(C)cc3)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(-c3cccc(C)c3)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21", "similarity": 0.6227208976157083}, {"SMILES": "c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.39914529914529917}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc(-c4ccccc4)c2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c5ccccc45)c3c2)cc1", "similarity": 0.473463687150838}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc43)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.5667074663402693}, {"SMILES": "FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.FC(F)(F)c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1c(-c2ccccc2C(F)(F)F)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1C(F)(F)F.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2C(F)(F)F)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1C(F)(F)F", "similarity": 0.4722550177095632}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1", "similarity": 0.43151969981238275}, {"SMILES": "Cc1ccc(-c2ccc3c(c4c5ccccc5ccc4n3C)[n+]2C)c(C)c1.Cc1ccc(-c2ccc3c4cc5ccccc5cc4n(C)c3[n+]2C)c(C)c1.Cc1ccccc1-c1ccc2c(c3cc4ccccc4cc3n2C)[n+]1C.Cc1ccccc1-c1ccc2c3c4ccccc4ccc3n(C)c2[n+]1C", "similarity": 0.28024502297090353}, {"SMILES": "Cc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5c4)cc32)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c5)cc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c5)cc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9cccc%10ccccc9%10)cc8)c7c6)cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7c6)cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c6)cc54)c3)n2)cc1", "similarity": 0.36065573770491804}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7c8ccccc8ccc7n7c8ccccc8c(cc54)c67)c4ccccc4n3)cc2)cc1.c1ccc2c(c1)ccc1c2c2c3c4ccccc4n(-c4nc(-n5c6ccccc6c6ccccc65)nc5ccccc45)c3cc3c4ccccc4n1c32.c1ccc2cc(-c3nc(-n4c5ccccc5c5c6c7c8ccccc8ccc7n7c8ccccc8c(cc54)c67)c4ccccc4n3)ccc2c1", "similarity": 0.5123076923076924}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n5c6ccccc6c(cc2n3-c2nc(-c3cc6ccccc6c6ccccc36)c3ccccc3n2)c45)cc1.c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n5c6ccccc6c(cc2n3-c2nc(-c3ccc6c(ccc7ccccc76)c3)c3ccccc3n2)c45)cc1", "similarity": 0.5464231354642314}, {"SMILES": "c1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4cc(-c5nc(-n6c7ccccc7c7c8ccccc8ccc76)nc6ccccc56)ccc43)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6nc(-n7c8ccccc8c8c9ccccc9ccc87)nc7ccccc67)ccc54)cc3)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nc(-n6c7ccccc7c7c8ccccc8ccc76)nc6ccccc56)ccc43)c2)cc1", "similarity": 0.6222222222222222}, {"SMILES": "c1ccc(-c2cc(-n3c4cc5c(cc4c4c6ccccc6ccc43)c3ccccc3n5-c3ccccc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6c7ccccc7ccc6n(-c6ccccc6)c5c43)n2)cc1", "similarity": 0.42907801418439717}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5c(-c6ccccc6)cccc54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)c4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4ccccc4c3)n2)cc1", "similarity": 0.5094043887147336}, {"SMILES": "C[Si](C)(C)c1ccc(-c2cc(-c3ccc([Si](C)(C)C)cc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)ccc32)cc1", "similarity": 0.450441609421001}, {"SMILES": "C1=C(c2ccc(-c3ccc(C(c4ccccc4)c4cccc5ccccc45)cc3)cc2)Cc2ccccc21.CC1(C)c2cc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.CC1(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.c1ccc(-c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)n2)cc1", "similarity": 0.34222560975609756}, {"SMILES": 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"c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)-c4cc5c7ccccc7n(-c7ccccc7)c5cc4C6(c4ccccc4)c4ccccc4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccc4)c4cc5c7ccccc7n(-c7ccccc7)c5cc4-6)cc3)n2)cc1", "similarity": 0.5611390284757118}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6n5)c4)cccc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4c(-c5cccc(-c6nc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7n6)c5)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccc(-c6nc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7n6)c5)cccc43)c2)cc1", "similarity": 0.5522388059701493}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2c3ccc(C)cc3n(-c3ccc(C#N)cc3-c3nc(C)nc(C)n3)c2c1.Cc1ccc2c3ccccc3n(-c3ccc(C#N)cc3-c3nc(C)nc(C)n3)c2c1", "similarity": 0.34775374376039936}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc76)nc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc76)n5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(-c8nc(-c9ccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)cc%11%10)cc9)nc(-c9cccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)cc%11%10)c9)n8)cc7)c6c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7nc(-n8c9ccccc9c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)cc98)nc(-n8c9ccccc9c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)cc98)n7)c6c5)ccc43)cc21", "similarity": 0.3356697819314642}, {"SMILES": "c1ccc2c(c1)c1ccccc1c1cc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8ccccc8c8ccccc8c7c6)ccc54)n3)ccc21.c1ccc2c(c1)cc(-n1c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c7ccccc7c7ccccc7c6c5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)ccc31)c1ccccc12", "similarity": 0.5555555555555556}, {"SMILES": "Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1.Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C)ccc32)c(C(F)(F)F)c1", "similarity": 0.5767263427109974}, {"SMILES": "c1ccc(-c2ccc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc6c(cc54)c4cc(-c5ccccc5)ccc4n6-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4cc(-c5ccccc5)ccc4n6-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc2)cc1", "similarity": 0.39691189827429607}, {"SMILES": "CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c5ccc43)ccc21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)c9ccccc9n8)c7c6)c5ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)c9ccccc9n8)c7c6)c5ccc43)c2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cc43)nc3ccccc23)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c(-n6c7ccccc7c7c8c9ccccc9n(-c9ccc%10ccccc%10c9)c8ccc76)cccc54)n3)ccc2c1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c(-n6c7ccccc7c7c8c9ccccc9n(-c9cccc%10ccccc9%10)c8ccc76)cccc54)n3)ccc2c1", "similarity": 0.33726415094339623}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccc9ccccc9c8)cc(-c8ccc9ccccc9c8)n7)c6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccc9ccccc9c8)cc(-c8ccc9ccccc9c8)n7)c6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8cccc9ccccc89)cc(-c8cccc9ccccc89)n7)c6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8cccc9ccccc89)nc(-c8cccc9ccccc89)n7)c6)c5c4)ccc32)cc1", "similarity": 0.5200945626477541}, {"SMILES": "Cc1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc1-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.Cc1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc1-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.Cc1ccc(-c2cc(-c3cc(C)c(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)c(C)c3)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.6296296296296297}, {"SMILES": "CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c21", "similarity": 0.39823008849557523}, {"SMILES": "N#Cc1cccc2c1c1c(ccc3c4ccccc4n(-c4ccc5c(c4)c4c(ccc6c7ccccc7n(-c7ccccc7)c64)n5-c4ccccc4)c31)n2-c1ccccc1.[C-]#[N+]c1cccc2c1c1ccc3c(c4cc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)ccc4n3-c3ccccc3)c1n2-c1ccccc1.c1ccc(-c2cc(-c3cccc4c3c3ccc5c(c6cc(-n7c8ccccc8c8ccc9c(c%10ccccc%10n9-c9ccccc9)c87)ccc6n5-c5ccccc5)c3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccc5c(c6cc(-n7c8ccccc8c8ccc9c(c%10ccccc%10n9-c9ccccc9)c87)ccc6n5-c5ccccc5)c3n4-c3ccccc3)n2)cc1", "similarity": 0.43071965628356607}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)n5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)cc1", "similarity": 0.5645390070921986}, {"SMILES": "[C-]#[N+]c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccc7ccccc7c6n6c7ccccc7c(cc43)c56)nc3ccccc23)cc1.[C-]#[N+]c1nc(-n2c3ccccc3c3c4c5ccc6ccccc6c5n5c6ccccc6c(cc32)c45)nc2ccccc12.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccc8ccccc8c7n7c8ccccc8c(cc54)c67)nc4ccccc34)cc2)cc1", "similarity": 0.4537037037037037}, {"SMILES": "c1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccccc%10)cc9)n8)c7c65)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10ccccc%10)c9)n8)c7c65)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9-c9ccccc9)n8)c7c65)c4)c3)cc2)cc1", "similarity": 0.51213282247765}, {"SMILES": "C.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccc(-n7c8ccccc8c8ccccc87)cc5n6-c5ccccc5)c(-n5c6ccccc6c6ccccc65)c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccc6c(c5)c5ccc(-n7c8ccccc8c8ccccc87)cc5n6-c5ccccc5)c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccc6c7ccc(-n8c9ccccc9c9ccccc98)cc7n(-c7ccccc7)c6c5)c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.49486887115165334}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3c4ccccc4cc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3c4ccccc4cc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c34)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc7ccccc7c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c65)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cc7ccccc7c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c65)cc43)cc2)cc1", "similarity": 0.5651041666666666}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccc(-c5cccc([N+]#[C-])c5)cc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.5389972144846796}, {"SMILES": 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"Cc1cc(C)c(-c2ccc(-c3c(C)cc(C)cc3C)c(-c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c2)c(C)c1.Cc1cc(C)cc(-c2ccc(-c3cc(C)cc(C)c3)c(-c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c2)c1", "similarity": 0.6546546546546547}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)cc3)nc(-c3ccc4ccccc4c3)c2)cc1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8ccc7c7ccccc7c65)cc4)n3)cccc2c1.c1ccc2c(-c3nc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8ccc7c7ccccc7c65)cc4)nc(-c4cccc5ccccc45)n3)cccc2c1", "similarity": 0.5369532428355958}, {"SMILES": "c1cc2c3c(cccc3c1)-c1c-2nc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc(-c2ccc3c4c(cccc24)-c2nc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)nc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c2-3)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)c3c(n2)-c2cccc4c(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc-3c24)cc1", "similarity": 0.5024630541871922}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccc5ccccc5c4c4c5c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c5ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccc5ccccc5c4c4c5c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c5ccc43)c2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6c7ccccc7ccc6n(-c6ccccc6)c5ccc43)nc3ccccc23)cc1", "similarity": 0.5365079365079365}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)cc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)n2)cc1", "similarity": 0.5561224489795918}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c(-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)cc2C#N)c1.Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c(-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)cc2C#N)c1.[C-]#[N+]c1cc(-n2c3cc(-c4cc(C)cc(C)c4)ccc3c3ccc(-c4cc(C)cc(C)c4)cc32)c(-c2nc(C)cc(C)n2)cc1-n1c2cc(-c3cc(C)cc(C)c3)ccc2c2ccc(-c3cc(C)cc(C)c3)cc21", "similarity": 0.48982188295165396}, {"SMILES": "N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2c3c4ccccc4n(-c4ccccc4)c3ccc21.N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21", "similarity": 0.44502617801047123}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(C2N=C(c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)N(c3ccccc3)C2c2ccccc2)cc1", "similarity": 0.6435483870967742}, {"SMILES": "N#Cc1cc(-n2c3ccccc3c3c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4ccc32)nc2ccccc12.N#Cc1cc(-n2c3ccccc3c3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4ccc32)nc2ccccc12", "similarity": 0.45839874411302983}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.4483394833948339}, {"SMILES": "Cc1cc(C#N)ccc1-c1ccc(-c2ccc(C#N)cc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4)ccc2n3-c2cc(-c3ccc(C#N)cc3C)ccc2-c2ccc([N+]#[C-])cc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C#N)cc3C)ccc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C#N)cc3C)ccc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c([N+]#[C-])c1", "similarity": 0.3925925925925926}, {"SMILES": "Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3cc(-c4ccc(C)cc4C)ccc32)cc1.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2c(-c3ccc(C)cc3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccc(C)cc3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C(F)(F)F)cc2)cc1", "similarity": 0.622356495468278}, {"SMILES": "C1=Cc2c(c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc3c4ccccc4n(-c4nc(-c5ccc6cc(-c7ccccc7)ccc6c5)c5ccccc5n4)c23)CC1.c1ccc(-c2ccc3ccc(-c4nc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccccc7c65)nc5ccccc45)cc3c2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)c5ccccc5c43)nc3ccccc23)cc1", "similarity": 0.55359765051395}, {"SMILES": "c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc4cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)ccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)ccc34)n2)cc1", "similarity": 0.5166374781085814}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)cc3c3cccnc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccncc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)ccc32)cc1", "similarity": 0.5636363636363636}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3cc(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)ccc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-c3cc(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)ccc3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4cc([N+]#[C-])ccc43)c(-c3cc(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)ccc3-n3c4ccccc4c4cc(C#N)ccc43)c2)c1", "similarity": 0.46170921198668147}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccc(-c6ccccc6)cc4n5-c4ccccc4)ccc2n3-c2cc(-c3ncccn3)cc(-c3ncccn3)c2)cc1", "similarity": 0.5468483816013628}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6cccc(-n7c8ccccc8c8cc9ccccc9cc87)c6cc54)c4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cccc4ccc(-n5c6cc(-n7c8ccccc8c8cc9ccccc9cc87)ccc6c6cc7ccccc7cc65)cc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c5cc6ccccc6cc54)c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1", "similarity": 0.5268817204301075}, {"SMILES": "Cc1cccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3ccc(-c4ccccc4)cc3)n2)c1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)n3)cccc2c1.c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccc9ccccc9c87)cc6)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3)cccc2c1", "similarity": 0.5146124523506989}, {"SMILES": "C.C.c1ccc(B(c2ccccc2)c2ccc(-n3c4ccc(B(c5ccccc5)c5ccccc5)cc4c4c3ccc3c5cc(B(c6ccccc6)c6ccccc6)ccc5n(-c5ccccc5)c34)cc2)cc1.c1ccc(B(c2ccccc2)c2ccc3c(c2)c2cc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4)ccc2n3-c2ccccc2)cc1.c1ccc(B(c2ccccc2)c2ccc3c(c2)c2cc(-n4c5ccccc5c5c4ccc4c6cc(B(c7ccccc7)c7ccccc7)ccc6n(-c6ccc7c(c6)c6cc(B(c8ccccc8)c8ccccc8)ccc6n7-c6ccccc6)c45)ccc2n3-c2ccccc2)cc1.c1ccc(B(c2ccccc2)c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)cc4)nc(-c4cccc(B(c5ccccc5)c5ccccc5)c4)n3)c2)cc1.c1ccc(B(c2ccccc2)c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c2)cc1", "similarity": 0.34382978723404256}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4c5ccccc5c(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)c5ccccc45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5ccccc5-c5ccccc5-c5ccccc5-6)c5ccccc45)c3)n2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5c6ccccc6c(-c6ccc7c(c6)-c6ccccc6-c6ccccc6-c6ccccc6-7)c6ccccc56)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc(-c6c7ccccc7c(-c7ccc8c(c7)-c7ccccc7-c7ccccc7-c7ccccc7-8)c7ccccc67)cc5)c4ccc32)cc1", "similarity": 0.35720844811753905}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)ccc34)n2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c5c6ccccc6ccc5n(-c5ccc6ccccc6c5)c4cc32)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2ccccc2n4-c2nc3ccccc3nc2-c2ccc(-c3ccc4ccccc4c3)cc2)cc1.c1ccc2cc(-c3nc4ccccc4nc3-n3c4ccccc4c4cc5c6c7ccccc7ccc6n(-c6ccc7ccccc7c6)c5cc43)ccc2c1", "similarity": 0.52832674571805}, {"SMILES": "CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1nc(-c2ccccc2)cc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)n1.CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1", "similarity": 0.5299837925445705}, {"SMILES": "c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n(-c6cc7ccccc7c7ccccc67)c5cc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n(-c6ccc7ccccc7c6)c5cc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n(-c6cccc7ccccc67)c5cc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc3ccccc23)cc1", "similarity": 0.48079470198675495}, {"SMILES": "Cc1cc(-c2ncc(-c3ccc4c5ccccc5c5ccccc5c4c3)cn2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1.Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5cncnc5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)cn4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)n4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c4)cc32)cc1", "similarity": 0.36134453781512604}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1", "similarity": 0.5559105431309904}, {"SMILES": 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"N#Cc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc1", "similarity": 0.5130331753554502}, {"SMILES": "Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2c3ccc(C(F)(F)F)cc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.Cc1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.4661016949152542}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5ccccc54)nc4ccccc34)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc3cnc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)nc3c2)cc1.c1ccc(-c2ccc3nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ncc3c2)cc1.c1ccc(-c2cccc3cnc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)nc23)cc1.c1ccc(-c2cccc3nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ncc23)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3ccccc23)cc1.c1ccc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)ncc2c1", "similarity": 0.3333333333333333}, {"SMILES": "CC(C)Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)ccc32)cc1.Cc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)ccc32)c1.Cc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)ccc32)c1", "similarity": 0.6854700854700855}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)N(c5ccccc5)c5ccccc5-6)ccc43)cc2)cc1.c1ccc(N2c3ccccc3-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc54)nc4cccc2c34)cc1.c1ccc(N2c3ccccc3-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4cccc2c34)cc1", "similarity": 0.6120556414219475}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc(-n7c8ccccc8c8c9ccccc9ccc87)cc6)cc5)n4)cc3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5)cc4)n3)cc2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1", "similarity": 0.4257528556593977}, {"SMILES": "N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2C#N)c1.N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2C#N)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1C#N.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2c(-c3ccccc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2C#N)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1c(-c2ccccc2C#N)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1C#N", "similarity": 0.41721854304635764}, {"SMILES": "Cc1nc(C)c(-c2cc3c4ccccc4c4c5ccccc5n(-c5ccc6ccccc6c5)c4c3c3ccccc23)c(C)n1.c1ccc(-c2cc(-c3cc4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c4c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5c5cc(-c6cc(-c7ccncc7)cc(-c7ccncc7)c6)c6ccccc6c5c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5c5cc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c6ccccc6c5c43)cc2)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4cc(-c5cccc(-c6ccncc6)n5)c5ccccc5c4c32)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4cc(-c5ccncc5)c5ccccc5c4c32)cc1", "similarity": 0.43126967471143757}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cc4)n3)c2)cc1", "similarity": 0.6099071207430341}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)nc6c5-c5cccc7cccc-6c57)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)c5)c5c(n4)-c4cccc6cccc-5c46)ccc32)cc1", "similarity": 0.6283464566929133}, {"SMILES": "Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(C#N)cc4-c4nc(-c5ccccc5)nc(-c5cc(C#N)ccc5-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)n4)c3c2)cc1.[C-]#[N+]c1ccc(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C#N)ccc3-n3c4ccc(-c5ccccc5C)cc4c4cc(-c5ccccc5C)ccc43)n2)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)n2)c1", "similarity": 0.6038781163434903}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6682615629984051}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1", "similarity": 0.530359355638166}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6nc7ccccc7c7nc8ccccc8n67)cc5)ccc43)cc2)cc1.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6nc7ccccc7c7nc8ccccc8n67)cc5)ccc43)ccc2c1", "similarity": 0.5403508771929825}, {"SMILES": "c1cc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)c1.c1ccc(-c2cc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3)cc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)c2)cc1", "similarity": 0.3583617747440273}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-n3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)n4)cc3)cc2)cc1", "similarity": 0.6511976047904192}, {"SMILES": "CC1(C)c2cc3ccccc3cc2-n2c3c1cccc3c1ccc3c(c4ccccc4n3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c12.CC1(C)c2ccccc2-n2c3c1cc1ccccc1c3c1ccc3c(c4ccccc4n3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c12.CC1(C)c2ccccc2-n2c3c1cc1ccccc1c3c1ccc3c(c4ccccc4n3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c12.CC1(C)c2ccccc2-n2c3cc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4cc3c3cccc1c32", "similarity": 0.532258064516129}, {"SMILES": "[C-]#[N+]c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c23)cc1.[C-]#[N+]c1ccccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)c12", "similarity": 0.632890365448505}, {"SMILES": "Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21", "similarity": 0.39488117001828155}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7c5ccc5cccc(c57)n6-c5cccc6ccccc56)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7c5ccc5cccc(c57)n6-c5ccccc5)ccc43)n2)cc1", "similarity": 0.4542314335060449}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)n2)cc1", "similarity": 0.5721311475409836}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc([N+]#[C-])c4)ccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2C#N)c1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)c2C#N)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccc(-c5cccc([N+]#[C-])c5)cc4n(-c4cc(-c5nc(C)cc(C)n5)cc(-n5c6cc(-c7cccc(C#N)c7)ccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C#N)c3c2)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)cc(C)n5)cc(-n5c6ccccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C#N)c3c2)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4[N+]#[C-])ccc32)c1C#N", "similarity": 0.38748913987836664}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1", "similarity": 0.493006993006993}, {"SMILES": "N#Cc1cc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c5ccccc5ccc43)cc2)nc2ccccc12.N#Cc1nc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c5ccccc5ccc43)cc2)nc2ccccc12.N#Cc1nc(-n2c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc3c3c4ccccc4ccc32)nc2ccccc12", "similarity": 0.5818759936406995}, {"SMILES": "Cc1ccc(C(F)(F)F)c(-c2nc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)c3ccc4ccccc4c3n2)c1.Cc1ccc(C(F)(F)F)c(-c2nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c3ccc4ccccc4c3n2)c1.Fc1ccc(-c2nc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)c3)c3ccc4ccccc4c3n2)cc1.Fc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)c3ccc4ccccc4c3n2)cc1", "similarity": 0.5515463917525774}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1", "similarity": 0.6143250688705234}, {"SMILES": "C#CC#CC#CC#CC#CC.CC(C)(C)c1ccc2c(c1)c1c(ccc3c4cc(C(C)(C)C)ccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc(-c6ccccc6)c5)n4)c31)n2-c1ccccc1.CCCCc1ccc2c(c1)c1c(ccc3c4cc(CCCC)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)n4)c31)n2-c1ccccc1.CCCCc1ccc2c(c1)c1c(ccc3c4cc(CCCC)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c31)n2-c1ccccc1", "similarity": 0.5257301808066759}, {"SMILES": "[C-]#[N+]c1cc(-n2c3cc(C)ccc3c3ccc(C)cc32)ccc1-c1nc(C)nc(C)n1.[C-]#[N+]c1cc(-n2c3ccc(C)cc3c3cc(C)ccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[C-]#[N+]c1ccc(-n2c3cc(C)ccc3c3ccc(C)cc32)cc1-c1nc(C)nc(C)n1.[C-]#[N+]c1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.448062015503876}, {"SMILES": "C=Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1.C=Cc1cccc2c1c1ccccc1n2-c1cccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1", "similarity": 0.5434412265758092}, {"SMILES": "C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1ccccc1n2-c1ccc2[se]c3ccc(-c4cc(C5CCCCC5)cc(C5CCCCC5)c4)cc3c2c1", "similarity": 0.5500794912559619}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(C(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1", "similarity": 0.6261829652996845}, {"SMILES": "c1cc2ccc3cc(-c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cc(-c8cc9ccc%10cccc%11ccc(c8)c9c%10%11)nc(-c8cc9ccc%10cccc%11ccc(c8)c9c%10%11)c7)c56)cc(-c5cc6ccc7cccc8ccc(c5)c6c78)n4)cc4ccc(c1)c2c34.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6ccccc56)c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc6ccccc56)c43)n2)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c23)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c32)cc1.c1ccc2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cc(-c6cc7ccc8cccc9ccc(c6)c7c89)nc(-c6cc7ccc8cccc9ccc(c6)c7c89)c5)c34)ccc2c1", "similarity": 0.357504215851602}, {"SMILES": "CCc1nc2cccc3c2n1-c1cc(-c2cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c2)ccc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)ccc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2ccc4cc(-c5ccc6ccccc6c5)ccc4c2)ccc1N3c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)ccc1N3c1ccccc1", "similarity": 0.529839883551674}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-c5ccccc5-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)n4)c3)c2)cc1", "similarity": 0.5305867665418227}, {"SMILES": "c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2nc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2nc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2nc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1", "similarity": 0.4108527131782946}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5c5cc6ccccc6cc54)nc4ccccc34)c2)cc1.c1ccc2cc3c(cc2c1)c1ccc(-n2c4ccccc4c4c5ccccc5ccc42)cc1n3-c1nc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2ccccc2n1.c1ccc2cc3c(cc2c1)c1ccc(-n2c4ccccc4c4c5ccccc5ccc42)cc1n3-c1nc(-c2cccc3ccccc23)c2ccccc2n1", "similarity": 0.5357664233576642}, {"SMILES": "c1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)c2)cc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)c1.c1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)c1.c1cc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4ccccc4c3)n2)cc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)c1", "similarity": 0.5694006309148265}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3)nc3cc(-c4ccc5ccccc5c4)ccc23)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3)nc3ccc(-c4ccc5ccccc5c4)cc23)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6nc(-c7ccc8ccccc8c7)c7ccccc7n6)c5)c4ccc32)cc1", "similarity": 0.6094488188976378}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(C)ccc43)ccc1n2-c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1.Cc1cccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)cc3)n2)c1", "similarity": 0.6919831223628692}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccc6c7ccccc7n(-c7ccccc7)c6c5c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccc7ccccc7c6n(-c6ccccc6)c45)n3)cc2)cc1", "similarity": 0.5196629213483146}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)c2)cc1", "similarity": 0.5311355311355311}, {"SMILES": "CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)n2)cc(C(C)(C)C)c1", "similarity": 0.3609706774519717}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c3c2)c1.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c(C)c1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c3c2)c(C)c1", "similarity": 0.4166666666666667}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)cc4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)n2)cc1", "similarity": 0.46780072904009723}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccc7ccccc7c65)c5ccccc5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5cc(-n6c7ccccc7c7ccc8ccccc8c76)ccc5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5cc43)n2)cc1", "similarity": 0.5382215288611545}, {"SMILES": "Cc1cc2c(c3ccccc3n2-c2ccccc2)c2c1c1cc(-n3c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)ccc1n2-c1ccccc1.Cc1cc2c(c3ccccc3n2-c2ccccc2)c2c1c1cc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)ccc1n2-c1ccccc1", "similarity": 0.5902439024390244}, {"SMILES": "C.C.C.C.C.CC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2c3ccccc3n(-c3ccccc3)c12.CC(C)(C)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.CC(C)(C)c1cccc(-c2ccccc2)n1.CC(C)(C)c1cccc(-n2c3ccccc3c3ccccc32)n1.CC(C)(C)c1cccc2c3ccccc3n(-c3ccccc3)c12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1", "similarity": 0.4672754946727549}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)nc4ccccc34)c2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)nc5ccccc45)cc32)cc1", "similarity": 0.3741379310344828}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1-n1c2ccccc2c2ccccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2ccccc2c2ccccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(N(c2ccccc2)c2ccccc2)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1N(c1ccccc1)c1ccccc1", "similarity": 0.47974413646055436}, {"SMILES": "CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5ccc43)ccc21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cccc43)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccc9ccccc9c8)c7ccc65)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8cccc9ccccc89)c7ccc65)ccc43)n2)cc1", "similarity": 0.3713572023313905}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)cc3)n2)cc1", "similarity": 0.49612403100775193}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(C#N)cc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccc(C#N)cc2c2cc([N+]#[C-])ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc(C#N)ccc21", "similarity": 0.5488505747126436}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1", "similarity": 0.6661870503597123}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6)nc(-c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)n5)cc4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6-c6cccc(-c7ccccc7)c6)nc(-c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6)n5)cc4)c3)c2)cc1", "similarity": 0.5542328042328042}, {"SMILES": "[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccccc4[N+]#[C-])nc(-c4ccccc4[N+]#[C-])n3)cc2)ccc1-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)c([N+]#[C-])c3)nc(-c3cccc([N+]#[C-])c3)n2)c1.[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)cc3C#N)nc(-c3cccc([N+]#[C-])c3)n2)c1.[C-]#[N+]c1ccccc1-c1cc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3C#N)cc2)nc(-c2ccccc2[N+]#[C-])n1", "similarity": 0.5195402298850574}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc54)c3)n2)cc1", "similarity": 0.6182873730043541}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.5818673883626523}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1", "similarity": 0.6241610738255033}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(C)ccc3-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2)c(C)c1.Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2)c1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(C)ccc3-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2)c(C)c1", "similarity": 0.624133148404993}, {"SMILES": "Fc1c(F)c(F)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c32)c(F)c1F.Fc1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c32)ccc1-c1ccccc1.Fc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1.Fc1cccc(F)c1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c12", "similarity": 0.5351351351351351}, {"SMILES": "C.C.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3c2-c2cccc4c(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc-3c24)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc6c(c(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)n5)-c5cccc7cccc-6c57)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)nc6c5-c5cccc7cccc-6c57)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc6c(c(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)n5)-c5cccc7cccc-6c57)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7nc(-n8c9ccccc9c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc98)nc8c7-c7cccc9cccc-8c79)cc6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc8c(c(-n9c%10ccccc%10c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%109)n7)-c7cccc9cccc-8c79)c6)c5c4)ccc32)cc1", "similarity": 0.26638089406001225}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c3)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4cc5c6c7ccccc7ccc6n(-c6ccccc6)c5cc43)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c5c6ccccc6ccc5n(-c5ccccc5)c4cc32)cc1", "similarity": 0.5488}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc6ccccc56)c43)n2)cc1.c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6ccccc6c5)c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)c34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6ccccc6c5)c43)n2)cc1", "similarity": 0.47116430903155604}, {"SMILES": "C.C.C.C.c1ccc(-c2cccc(-c3c4ccccc4cc4c(-c5ccccc5)nc(-n5c6cccc7c8cccc9c%10ccccc%10n(c%10cccc5c%10c76)c89)nc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3cc3c(-c4ccccc4)nc(-n4c5cccc6c7cccc8c9ccccc9n(c9cccc4c9c65)c78)nc23)cc1.c1ccc(-c2nc(-n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)nc3c2ccc2ccccc23)cc1", "similarity": 0.4625176803394625}, {"SMILES": "c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c4ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccc8ccccc8c7)c6cc54)c4ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c4ccccc34)n2)cc1", "similarity": 0.6072507552870091}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-n6c7ccccc7c7cc8c9ccc%10ccccc%10c9n(-c9ccccc9)c8cc76)ccc5c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-n5c6ccccc6c6cc7c8cc(-c9ccccc9)c9ccccc9c8n(-c8ccccc8)c7cc65)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-n5c6ccccc6c6cc7c8ccc9ccccc9c8n(-c8cccc9ccccc89)c7cc65)cccc34)n2)cc1", "similarity": 0.5498575498575499}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7380952380952381}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)cc1-c1ccccc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)cc1-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)cc1-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)cc1-c1ccccc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)n3)c2)cc1", "similarity": 0.3215962441314554}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)nc(-c3ccccc3)n2)cc1", "similarity": 0.6462585034013606}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5c(cc4c4c3ccc3c6cc7c(cc6n(-c6ccccc6)c34)CC7)CC5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5c(cc4c4c6c7cc8c(cc7n(-c7ccccc7)c6ccc43)CC8)CC5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5c(cc4c4cc6c(cc43)c3cc4c(cc3n6-c3ccccc3)CC4)CC5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5c(cc4c4cc6c7cc8c(cc7n(-c7ccccc7)c6cc43)CC8)CC5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5c(cc4c4ccc6c(c7cc8c(cc7n6-c6ccccc6)CC8)c43)CC5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)CC7)cc4c4cc5c(cc43)CC5)n2)cc1", "similarity": 0.36585365853658536}, {"SMILES": "c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(ccc6c7ccccc7n(-c7ccccc7)c65)c43)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1", "similarity": 0.5641025641025641}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.5151515151515151}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)n5)ccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)n4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(N(c5ccccc5)c5cccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-c3cccc(-c4cc(-c5ccc(CCCC)cc5)cc(-c5ccc(CCCC)cc5)c4)c3)ccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21", "similarity": 0.40129449838187703}, {"SMILES": "Cc1cccc(-c2cc(-c3c(C)cc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3C)nc(-c3cccc(C)c3)n2)c1.Cc1cccc(-c2cc(-c3cc(C)c(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3C)nc(-c3cccc(C)c3)n2)c1.Cc1cccc(-c2cc(-c3ccc(-c4cc(C)c(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4C)cc3)nc(-c3cccc(C)c3)n2)c1.Cc1ccccc1-c1cc(-c2c(C)cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2C)nc(-c2ccccc2C)n1.Cc1ccccc1-c1cc(-c2cc(C)c(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)c(C)c2)nc(-c2ccccc2C)n1.Cc1ccccc1-c1cc(-c2ccc(-c3c(C)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3C)cc2)nc(-c2ccccc2C)n1", "similarity": 0.46146703806870937}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cccc54)c3)n2)cc1", "similarity": 0.5320261437908497}, {"SMILES": "c1ccc(-c2cc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.44814814814814813}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc(-c3c4ccccc4c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4ccccc34)ccc1n2-c1ccc2ccccc2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3c4ccccc4c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4ccccc34)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)ccc1n2-c1ccc2ccccc2n1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)ccc1n2-c1ccccc1", "similarity": 0.4669867947178872}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)n2)cc1.c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1", "similarity": 0.6970740103270223}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5cc6ccccc6cc54)c4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-n5c6ccccc6c6cc7cccc(-n8c9ccccc9c9ccccc98)c7cc65)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc5ccccc5cc43)n2)cc1", "similarity": 0.60741885625966}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c4)nc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4cccc(-c5nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6c(n5)c5ccccc5n6-c5ccccc5)c4)cc3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)c6c(n5)c5ccccc5n6-c5ccccc5)c4)cc3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)c6c(n5)c5ccccc5n6-c5ccccc5)c4)cc3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c6c(n5)c5ccccc5n6-c5ccccc5)c4)c3)c2)cc1", "similarity": 0.3266162888329135}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)ccc34)n2)cc1", "similarity": 0.576138147566719}, {"SMILES": "C1=CCC=C(c2nc(-c3ccccc3)cc(-c3cc4c(cc3-n3c5ccccc5c5c3ccc3c6ccccc6n(-c6ccccc6)c35)c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3ccccc3)n2)C=1.N#Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c12.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(cc3-n3c5ccccc5c5c3ccc3c6ccccc6n(-c6ccccc6)c35)c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3ccccc3)n2)cc1", "similarity": 0.5052219321148825}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)n3)cc2)cc1", "similarity": 0.5754276827371695}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc54)c3)n2)cc1", "similarity": 0.5583126550868487}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)n2)cc1", "similarity": 0.5818759936406995}, {"SMILES": "Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5027422303473492}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C(F)(F)F)c4)ccc2n3-c2cc(C#N)c(-n3c4ccc(-c5cc(C)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)cc2-c2nc(C)cc(C)n2)c1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(C(F)(F)F)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)c(-n5c6ccccc6c6ccc(-c7ccc(C(F)(F)F)cc7C)cc65)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1", "similarity": 0.5217391304347826}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-c4ccccc4)n3)cc21.Fc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc1n2-c1ccccc1.Fc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5cccc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5)cc4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.38013136288998356}, {"SMILES": "c1ccc(-c2cc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)c2)cc1", "similarity": 0.6287339971550497}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)c2)cc1", "similarity": 0.5712309820193637}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1", "similarity": 0.6661417322834645}, {"SMILES": "c1ccc(-c2cc3c4c(ccc5c4c4c(cccc4n5-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5ccccc45)-c4ccccc4-3)c2)cc1.c1ccc(-c2cc3c4c(ccc5c4c4c(cccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)cc4)-c4ccccc4-3)c2)cc1.c1ccc(-c2cc3c4c(ccc5c4c4c(cccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)-c4ccccc4-3)c2)cc1", "similarity": 0.5184094256259205}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5cc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c67)nc(-c6ccccc6)n5)c43)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)n8)c67)n5)c43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)ccc32)cc1", "similarity": 0.35473251028806585}, {"SMILES": "CC1(C)c2ccc3c(nc(-c4ccccc4)n3-c3ccccc3)c2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6cc7c(cc6n(-c6ccccc6)c5c43)nc(-c3ccccc3)n7-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6cc7nc(-c8ccccc8)n(-c8ccccc8)c7cc6n(-c6ccccc6)c5c43)n2)cc1", "similarity": 0.4956647398843931}, {"SMILES": "c1cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1", "similarity": 0.3595217762596072}, {"SMILES": "c1ccc(-c2cc3c(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4)nc3cc2-c2cccc3ccccc23)cc1.c1ccc(-c2ccc(-c3cc4c(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5)nc4cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3cc4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5)nc(-c5ccccc5)c4cc3-c3ccccc3)cc2)cc1", "similarity": 0.5940902021772939}, {"SMILES": "Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccc(-c4cc(C)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)c1.Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccccc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)c1.Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccccc3c3cc(-c4ccc(C)cc4C(F)(F)F)ccc32)c1", "similarity": 0.5539971949509116}, {"SMILES": "[C-]#[N+]c1cc(-c2cc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)ccc1-n1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(C#N)c2)cc1.[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2[N+]#[C-])cc1", "similarity": 0.5489296636085627}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cc32)cc1", "similarity": 0.5993091537132987}, {"SMILES": "N#Cc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(-c5c(C#N)cc(C#N)cc5[N+]#[C-])cc4c4cc(-c5c(C#N)cc([N+]#[C-])cc5[N+]#[C-])ccc43)c(-n3c4ccc(-c5c(C#N)cc(C#N)cc5[N+]#[C-])cc4c4cc(-c5c(C#N)cc([N+]#[C-])cc5[N+]#[C-])ccc43)c2)cc1.c1ccc(-c2ccc(-c3ccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c3)cc2)cc1", "similarity": 0.35534317984361424}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6c5)ccc43)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)c2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc54)c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccc(-c7ccccn7)cc6)nc(-c6ccc(-c7ccccn7)cc6)n5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)cc1", "similarity": 0.4092900964066608}, {"SMILES": 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"CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc7c8c(cccc68)-c6nc(-c8cccc(-n9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)cc%10c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc%109)c8)nc(-c8ccccc8)c6-7)cc5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccc7c8c(cccc68)-c6nc(-c8cccc(-n9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)cc%10c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc%109)c8)nc(-c8ccccc8)c6-7)c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc(-c7ccccc7)c7c(n6)-c6cccc8c(-c9ccc(-n%10c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)cc%11c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)ccc%11%10)cc9)ccc-7c68)c5)ccc43)cc21", "similarity": 0.32742054693274203}, {"SMILES": "[C-]#[N+]c1cc(-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)c(-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)cc1-c1nc(C)nc(C)n1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4nc(C)nc(C)n4)cc32)c(-n2c3ccccc3c3ccc(-c4nc(C)nc(C)n4)cc32)cc1-c1nc(C)nc(C)n1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc([N+]#[C-])cc([N+]#[C-])c4)ccc2n3-c2cc([N+]#[C-])c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4cc(C#N)cc(C#N)c4)cc3c3cc(-c4cc(C#N)cc([N+]#[C-])c4)ccc32)c1", "similarity": 0.3997944501541624}, {"SMILES": "N#Cc1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.N#Cc1cccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1", "similarity": 0.6026200873362445}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c5)ccc43)cc2)cc1", "similarity": 0.654275092936803}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)n2)cc1", "similarity": 0.49823321554770317}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8ccccc78)cc6)cc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8ccccc8c8ccccc8c7c6)cc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8ccccc8c8ccccc8c7c6)cc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)cc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cccc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)c7)c6c5)ccc43)cc2)cc1", "similarity": 0.3956228956228956}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1", "similarity": 0.5145985401459854}, {"SMILES": "Cc1cc(C#N)cc(-c2cc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c(C#N)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(C#N)cc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c1.[C-]#[N+]c1cc(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-c2cc(C)cc(C#N)c2)cc1-n1c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21", "similarity": 0.3829596412556054}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1.c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2)cc1", "similarity": 0.6537313432835821}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c4ccccc34)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.N#Cc1ccc(-c2cc(-c3ccc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc4c3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)cc3)n2)cc1.N#Cc1ccc2cc(-c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)n3)ccc2c1", "similarity": 0.4908108108108108}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5c(-n6c7ccccc7c7ccc8ccccc8c76)cccc54)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6c(-n6c7ccccc7c7ccc8ccccc8c76)c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4c4cc5ccccc5cc43)n2)cc1", "similarity": 0.5539143279172821}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c54)cc3)n2)cc1", "similarity": 0.5862573099415205}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)n2)cc1", "similarity": 0.5912052117263844}, {"SMILES": "c1ccc(-n2c3ccccc3c3c4c5ccccc5c(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)cc4c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5c(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5c(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)cc4c4ccccc4c32)cc1", "similarity": 0.4686609686609687}, {"SMILES": "c1ccc2c(-c3nc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc4)nc4ccccc34)cccc2c1.c1ccc2cc(-c3nc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc4)nc4ccccc34)ccc2c1.c1ccc2cc(-c3nc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)nc4ccccc34)ccc2c1", "similarity": 0.4744408945686901}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccccc6)ccc5n(-c5cccc(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)n5)c4c2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)n2)cc1", "similarity": 0.25206124852767964}, {"SMILES": "c1ccc(-n2c3ccccc3c3c4c5ccccc5c(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)cc4c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5c(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5c(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4c4ccccc4c32)cc1", "similarity": 0.4813218390804598}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c34)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c34)c2)cc1", "similarity": 0.6022187004754358}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2C(F)(F)F)c(C)c1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2C(F)(F)F)c(C)c1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(-c5nc(C)nc(C)n5)cc(-n5c6cc(-c7ccc(C)cc7C)ccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C(F)(F)F)c3c2)c(C)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)cc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C(F)(F)F)c3c2)c(C)c1", "similarity": 0.4450373532550694}, {"SMILES": 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"CC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)n6)ccc4-5)c3)ccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc21.c1cc(-c2ccc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3)cc2)cc(-c2ccc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3)cc2)c1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)cc2)cc1", "similarity": 0.4339229968782518}, {"SMILES": "Cc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21.Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c1.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C)c1", "similarity": 0.6874074074074074}, {"SMILES": 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"Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(C#N)c2)c1.[C-]#[N+]c1cc(-n2c3cc(-c4cc(C)cc(C)c4)ccc3c3ccc(-c4cc(C)cc(C)c4)cc32)ccc1-c1nc(C)nc(C)n1.[C-]#[N+]c1ccc(-n2c3cc(-c4cc(C)cc(C)c4)ccc3c3ccc(-c4cc(C)cc(C)c4)cc32)cc1-c1nc(C)nc(C)n1", "similarity": 0.3944954128440367}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4)n3)cc2)cc1.c1ccc(-c2ccc3c4cc5c6ccccc6n(-c6ccccc6)c5cc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c4ccccc34)n2)cc1", "similarity": 0.6230031948881789}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)cc4)cc3)n2)cc1", "similarity": 0.6270566727605119}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)n3)cc2)cc1", "similarity": 0.5738255033557047}, {"SMILES": "O=P1(c2ccccc2)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1", "similarity": 0.6220735785953178}, {"SMILES": "c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)n4)cc3)cc2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)c3c2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c(-n6c7ccccc7c7ccccc76)cccc45)n3)ccc2c1", "similarity": 0.6148760330578512}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4n4c5cc(-c6c(-c7ccccc7)cc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)ccc5nc34)c(-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4n4c5cc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc5nc34)c(-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4n4c5cc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)ccc5nc34)c(-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)c(-n3c4ccccc4n4c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc5nc34)c(-c3ccccc3)c2)cc1", "similarity": 0.394}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccc(-c7ccccn7)cc6)cccc54)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc54)ccc2n3-c2ccccc2)cc1", "similarity": 0.584055459272097}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3cc([N+]#[C-])c(-c4ccc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)c([N+]#[C-])c3)nc(-c3cccc([N+]#[C-])c3)n2)c1.[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4c(C#N)cc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4C#N)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1.[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4cc([N+]#[C-])c(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)c([N+]#[C-])c4)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1", "similarity": 0.4931506849315068}, {"SMILES": "c1cc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3n2)cc(-n2c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3c3cc4ccccc4cc32)c1.c1cc(-c2nc(-c3cccc4ccccc34)c3ccccc3n2)cc(-n2c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3c3cc4ccccc4cc32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5ccc(-n6c7ccc(-n8c9ccccc9c9ccc%10ccccc%10c98)cc7c7cc8ccccc8cc76)cc5c4)nc4ccccc34)c2)cc1", "similarity": 0.5420689655172414}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.4519056261343013}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(-c6nc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc87)c7ccccc7n6)cc5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(-c6nc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc87)nc7ccccc67)cc5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc(-c7ccc(-n8c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)cc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)ccc98)cc7)nc7ccccc67)cc5)ccc43)cc21", "similarity": 0.3474714518760196}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cc(-n6c7ccccc7c7ccc8ccccc8c76)ccc5c5cc6ccccc6cc54)c4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-n5c6ccccc6c6cc7cccc(-n8c9ccccc9c9ccc%10ccccc%10c98)c7cc65)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3-n3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4c4cc5ccccc5cc43)n2)cc1", "similarity": 0.5616835994194485}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc7ccccc7c6)c5cc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5cc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc4c5cc(-c6ccccc6)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4cc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5cc43)n2)cc1", "similarity": 0.5948158253751705}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccccc5)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.c1ccc(-c2nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ncnc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)cc1", "similarity": 0.527599486521181}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)c2)cc1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7c8ccccc8c8ccccc8c67)ccc54)n3)ccc2c1", "similarity": 0.6006493506493507}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccc(-c4c(C#N)cc(-c5ccc(-n6c7ccc(N(c8ccccc8)c8ccccc8)cc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)cc4C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc1.[C-]#[N+]c1cc(-c2cc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc([N+]#[C-])c1-c1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccc(C#N)cc4)nc(-c4ccc(C#N)cc4)n3)cc2)cc([N+]#[C-])c1-c1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1", "similarity": 0.47411764705882353}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5c5cc6ccccc6cc54)c4ccccc4n3)cc2)cc1.c1ccc2cc(-c3nc(-n4c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5c5cc6ccccc6cc54)c4ccccc4n3)ccc2c1", "similarity": 0.46206896551724136}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)n2)cc1", "similarity": 0.5996533795493935}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5cccc(-n6c7ccccc7c7c(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)cccc76)c5)ccc43)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2cccc(-n3c4ccccc4c4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5cccc(-n6c7ccccc7c7c(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)cccc76)c5)ccc43)c2)cc1", "similarity": 0.5023419203747073}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)nc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc76)c5)n4)c3)cc21.c1ccc(-c2ccccc2-c2nc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1", "similarity": 0.5687830687830688}, {"SMILES": "CC1(C)c2cc3c(cc2-c2cccc4cccc1c24)c1ccccc1n3-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC1(C)c2cc3c(cc2-c2cccc4cccc1c24)c1ccccc1n3-c1ccc2ccc3ccccc3c2c1.CC1(C)c2cc3c(cc2-c2nccc4cccc1c24)c1ccccc1n3-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)c2cc3c(cc2-c2nccc4cccc1c24)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1", "similarity": 0.6160849772382397}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)n2)cc1", "similarity": 0.6622516556291391}, {"SMILES": "CCc1nc2c3c(-c4ccc(-c5ccc(-c6nc(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)n6)cc5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2c3c(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2c3c(-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7ccccc7)cc6)n5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2c3c(-c4ccc(-c5nc(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)n5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2c3c(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)cc6)n5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2c3c(-c4ccc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)n5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1", "similarity": 0.36777583187390545}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc3c(c2)c2cc(-c4ccc5ccccc5c4)ccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc3c(c2)c2cc(-c4cccc5ccccc45)ccc2n3-c2ccccc2)cc1", "similarity": 0.5118694362017804}, {"SMILES": 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"c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n5c6ccccc6c(cc2n3-c2nc(-c3ccccc3)c3ccccc3n2)c45)cc1", "similarity": 0.5650793650793651}, {"SMILES": "c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)c6c(n5)c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)c6c(n5)c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4c(n3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc5c6ccccc6n(-c6ccccc6)c45)c3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4c(n3)c3ccccc3n4-c3ccccc3)c2)cc1", "similarity": 0.3626991565135895}, {"SMILES": "c1ccc(N(c2ccc3nc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)nc(-n4c5ccccc5c5ccc(N(c6ccccc6)c6ccccc6)cc54)c3c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3nc(-n4c5ccccc5c5ccc(N(c6ccccc6)c6ccccc6)cc54)nc(-n4c5ccccc5c5ccc(N(c6ccccc6)c6ccccc6)cc54)c3c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3nc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)nc(-n4c5ccccc5c5ccc(N(c6ccccc6)c6ccccc6)cc54)c3c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1", "similarity": 0.39658848614072495}, {"SMILES": "c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c32)cc1", "similarity": 0.3917748917748918}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc5c(-n6c7ccccc7c7c8c9ccccc9n(-c9ccccc9)c8ccc76)cccc5c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(-n6c7ccccc7c7c8c9ccccc9n(-c9ccccc9)c8ccc76)cccc5c4)n3)cc2)cc1", "similarity": 0.5512367491166078}, {"SMILES": "N#Cc1ccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2c1.c1ccc(-c2cc(-c3ccc4c5c(ccc6c7ccccc7n(-c7ccccc7)c65)n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(ccc6c7ccccc7n(-c7ccccc7)c65)n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4c3)n2)cc1", "similarity": 0.6012364760432767}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)nc4ccccc34)cc21.c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5c6ccccc6c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)nc4ccccc34)c2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4nc(-c5cccc6ccccc56)c5ccccc5n4)cc32)cc1", "similarity": 0.5445103857566765}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(C#N)ccc32)c1.c1ccc(-c2cc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4cccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5552825552825553}, {"SMILES": "c1ccc2c(c1)cc(-c1ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc4ccccc4c4nc5ccccc5n34)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc3c(c1)c1c4ccccc4ccc1n3-c1nc3ccccc3c3nc4ccccc4n13)c1ccccc12.c1ccc2cc(-c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4nc5ccccc5c5nc6ccccc6n45)cc3)ccc2c1", "similarity": 0.5124223602484472}, {"SMILES": "CC1(C)c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)c4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)c4)c3)n2)cc1", "similarity": 0.6801801801801802}, {"SMILES": "CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc43)c2)cc1", "similarity": 0.5632911392405063}, {"SMILES": "N#Cc1c(-c2cccc3c2c2ccccc2n3-c2ccccc2)ccc2c1c1ccccc1n2-c1ccccc1.c1ccc(-c2cc(-c3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)ccc4c3c3ccccc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc3n4-c3ccccc3)n2)cc1", "similarity": 0.5668276972624798}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6ccc54)cc3)n2)cc1", "similarity": 0.5830388692579506}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc54)cc3)n2)cc1", "similarity": 0.5985533453887885}, {"SMILES": "Cc1c2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c(C)c2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c12.Cc1c2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c(C)c2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c12.Cc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4Cc4ccccc4-5)c3)cc2)cc1.Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cccc5c4Cc4ccccc4-5)c3)n2)cc1", "similarity": 0.544055944055944}, {"SMILES": "O=P1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)c21.O=P1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.O=P1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c21", "similarity": 0.5559105431309904}, {"SMILES": "C[N+]1(C)c2ccccc2-c2c1c1ccccc1c1c2c2ccccc2n1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6c6ccccc6c54)cc3)n2)cc1", "similarity": 0.44}, {"SMILES": "CC1(C)c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.725705329153605}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c2-c2ccccc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)c(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1", "similarity": 0.6005547850208044}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c3)n2)cc1", "similarity": 0.6500754147812972}, {"SMILES": "Cc1cc(-c2cc(-c3ccccc3C)nc(-c3ccccc3C)n2)ccc1-c1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1.Cc1cc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)ccc1-c1ccc(-c2cc(-c3ccccc3C)nc(-c3ccccc3C)n2)cc1.Cc1ccccc1-c1cc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3)cc2C)nc(-c2ccccc2C)n1", "similarity": 0.6039735099337749}, {"SMILES": "CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c21", "similarity": 0.5987748851454824}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)n2)cc1", "similarity": 0.3689745836985101}, {"SMILES": "Cc1c(C)c(N2c3ccccc3C(c3ccccc3)(n3c4ccccc4c4ccccc43)c3ccccc32)c(C)c(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c(C)c1N1c2ccccc2C(c2ccccc2)(n2c3ccccc3c3ccccc32)c2ccccc21.Cc1cc(N2c3ccccc3C(c3ccccc3)(n3c4ccccc4c4ccccc43)c3ccccc32)c(C)c(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.4823695345557123}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)c5)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)n2)cc1", "similarity": 0.6948590381426202}, {"SMILES": "C1=CC2=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C=CC3=CC=C4C(c5ccc(-n6c7ccccc7c7ccccc76)cc5)=CC=C1C4C32.c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c2c1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4)n3)cccc2c1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4)n3)ccc2c1.c1ccc2cc(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4)n3)ccc2c1", "similarity": 0.46909492273730685}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C(F)(F)F)c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(F)(F)F)c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)c1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C(F)(F)F)c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1", "similarity": 0.5223713646532439}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)cc5ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5cc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)ccc45)n3)c2)cc1", "similarity": 0.5622775800711743}, {"SMILES": "Cc1cc(-c2cc(-c3ccccc3C)nc(-c3ccccc3C)n2)ccc1-c1ccc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)c(C)c4)cc3)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)cc4C)cc3)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccccc1-c1cc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc3)cc2C)nc(-c2ccccc2C)n1", "similarity": 0.5255041518386714}, {"SMILES": "[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4ccc(C)cc4C(F)(F)F)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1", "similarity": 0.48089171974522293}, {"SMILES": "N#Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)cc5)cc43)c2)cc1.N#Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5ccc6ccccc6c5)cc43)c2)cc1.N#Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc6ccccc56)cc43)c2)cc1", "similarity": 0.6360708534621579}, {"SMILES": "c1ccc(-c2ccc3c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1", "similarity": 0.487627365356623}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-c2c(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)cccc2C(F)(F)F)c(C)c1.Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-c2c(-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)cccc2C(F)(F)F)c1", "similarity": 0.5473515248796148}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4c5ccccc5c5ccccc5c43)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6cc7ccccc7cc6c6c7ccccc7c7ccccc7c65)nc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccc7ccccc7c6c6c7ccccc7c7ccccc7c65)nc5ccccc45)ccc32)cc1", "similarity": 0.4915514592933948}, {"SMILES": "c1ccc(-c2cc(-c3nc(-c4ccccc4)c4ccccc4n3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)c8ccccc8n7)n6)c5ccc43)cc2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)n3)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)c6ccccc6n5)c4ccc32)cc1", "similarity": 0.49107142857142855}, {"SMILES": "Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)c(C)c3)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)cc3C)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4C)cc3)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.6364864864864865}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2)cc1", "similarity": 0.5113378684807256}, {"SMILES": "[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc2n3-c2ccc(-c3ccc(C)cc3[N+]#[C-])cc2-c2cc(-n3c4ccc(-c5c(C#N)cc(C#N)cc5[N+]#[C-])cc4c4cc(-c5c([N+]#[C-])cc(C#N)cc5[N+]#[C-])ccc43)ccc2[N+]#[C-])c([N+]#[C-])c1.[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])cc2-c2cc(-n3c4ccccc4c4cc(-c5c(C#N)cc(C#N)cc5[N+]#[C-])ccc43)ccc2[N+]#[C-])c([N+]#[C-])c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)ccc2[N+]#[C-])c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)ccc2[N+]#[C-])c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccc([N+]#[C-])c(-c2cc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])ccc2-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4[N+]#[C-])ccc32)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C(F)(F)F)cc2[N+]#[C-])cc1-c1cc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)ccc1[N+]#[C-]", "similarity": 0.2687843616371411}, {"SMILES": "c1ccc(-c2cc(C3c4ccccc4-c4c(-c5ccc6ccccc6c5)cc5c(c43)C(c3ccccc3)c3ccccc3-5)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccc6ccccc6c5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c4ccc4c6cc7ccccc7cc6n(-c6ccccc6)c45)n3)cc2)cc1", "similarity": 0.5517774343122102}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)n3)cc21.c1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)n3)cc2)cc1", "similarity": 0.5647208121827412}, {"SMILES": "c1ccc(-n2c3ccccc3c3c(-c4nc(N5c6cc7ccccc7cc6-c6cccc7cccc5c67)nc5ccccc45)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(N5c6cc7ccccc7cc6-c6cccc7cccc5c67)nc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(N5c6cc7ccccc7cc6-c6cccc7cccc5c67)nc5ccccc45)cc32)cc1.c1ccc2cc3c(cc2c1)-c1cccc2cccc(c12)N3c1nc(-n2c3ccccc3c3ccccc32)c2ccccc2n1", "similarity": 0.4745308310991957}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-c6ccccc6)ccc5c5c6c(ccc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)c2)cc1.c1ccc(-c2ccc3c4c5c(ccc4n(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-5)cc1.c1ccc(-c2nc(-c3cccc4c3Cc3ccccc3-4)nc(-n3c4ccccc4c4c5c(ccc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1", "similarity": 0.4815340909090909}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3ccccc23)cc1", "similarity": 0.5281306715063521}, {"SMILES": "Cc1ccc(-c2cc(-c3cc(C)c(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c(C)c3)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2n3-c2ccc(-c3cc(-c4cccc(C)c4)nc(-c4cccc(C)c4)n3)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4C)nc(-c4ccccc4C)n3)cc2)cc1", "similarity": 0.586552217453505}, {"SMILES": "Pc1nc(-c2ccccc2)nc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)n1.[C-]#[N+]c1cc(C#N)cc(C#N)c1-c1ccc2c(c1)c1cc(-c3c(C#N)cc(C#N)cc3[N+]#[C-])ccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(C#N)cc(C#N)c1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1", "similarity": 0.45993413830954993}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1", "similarity": 0.43177570093457945}, {"SMILES": "c1ccc(-n2c3ccccc3c3c(-c4nc(-n5c6ccccc6c6c7c8ccccc8n8c9ccccc9c(cc65)c78)nc5ccccc45)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c7c8ccccc8n8c9ccccc9c(cc65)c78)nc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6c7c8ccccc8n8c9ccccc9c(cc65)c78)nc5ccccc45)cc32)cc1", "similarity": 0.4985207100591716}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)cc21", "similarity": 0.5636363636363636}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccc9ccccc9c8)c7cc65)c4)n3)cc21.c1ccc(-c2ccc3c4cc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5cc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.6136012364760433}, {"SMILES": "C[Si](C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc32)cc1.Cc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc32)cc1.Cc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc32)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc43)c2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc54)cc3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc43)c2)cc1", "similarity": 0.38402718776550554}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5c(-c6ccccc6)cccc54)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2ccc3c(c2)c2ccc(-n4c5ccccc5c5ccccc54)cc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2)cc1.c1ccc(-c2ccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4c(-c5ccccc5)cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4-c4ccccc4)c3c2)cc1", "similarity": 0.6235632183908046}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7c7ccccc7c6c54)n3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6c6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c5c5ccccc5c43)c2)cc1.c1ccc(-c2ccccc2-n2c3ccccc3c3c4c5ccccc5c5c6ccccc6n(-c6ccccc6-c6ccccc6)c5c4c4ccccc4c32)cc1", "similarity": 0.5294117647058824}, {"SMILES": "CC(C)c1cccc(-n2c3ccccc3c3cc4c(cc32)c2cc(-n3c5ccccc5c5c3ccc3c6ccccc6n(-c6ccccc6)c35)ccc2n4-c2cccc(C(C)C)c2)c1.Cc1ccc(-n2c3ccc(C)cc3c3cc4c(cc32)c2cc(-n3c5ccc(C)cc5c5c3ccc3c6cc(C)ccc6n(-c6ccc(C)cc6)c35)ccc2n4-c2ccc(C)cc2)cc1.c1ccc(-n2c3ccc(-c4ncccn4)cc3c3cc4c(cc32)c2cc(-n3c5ccccc5c5c3ccc3c6cc(-c7ncccn7)ccc6n(-c6ccccc6)c35)ccc2n4-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc(-c3ccc5c(c3)c3ccc6c(c7ccccc7n6-c6ccccc6)c3n5-c3ccccc3)ccc2n4-c2ccccn2)cc1.c1ccc(-n2c3ccccc3c3cc4c5cc(-c6cc7c(c8ccccc8n7-c7ccccc7)c7c6c6ccccc6n7-c6ccccc6)ccc5n(-c5ccccc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccn4)c4ccccc4n6-c4ccccn4)c32)cc1", "similarity": 0.3419563459983832}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7cccc(-c8ccccc8)c7)nc(-c7ccccc7)n6)ccc54)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.5266903914590747}, {"SMILES": "c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7nc(-c8ccccc8)cc(-c8ccc(-c9ccccc9)cc8)n7)c6cc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6cc54)cc3)cc2)cc1", "similarity": 0.5883424408014571}, {"SMILES": "Cc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1", "similarity": 0.727433628318584}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)n2)cc1", "similarity": 0.3660637381567614}, {"SMILES": "c1ccc2c(c1)c1ccccc1c1cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8ccccc8c8ccccc8c7c6)ccc54)n3)ccc21.c1ccc2c(c1)c1ccccc1c1cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7c8ccccc8c8ccccc8c67)ccc54)n3)ccc21", "similarity": 0.5619335347432024}, {"SMILES": "c1cc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)c3)cc2)cc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)n5)cc4)cc(-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)n5)cc4)c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)n5)cc4)cc(-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)n5)cc4)c3)cc2)cc1", "similarity": 0.3737906772207564}, {"SMILES": "[C-]#[N+]c1cc([N+]#[C-])cc(-c2cc3c4ccccc4n(-c4ccccc4)c3cc2-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-n5c6ccccc6c6ccccc65)ccc5c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1", "similarity": 0.5609756097560976}, {"SMILES": "c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)n2)cc1", "similarity": 0.3992502343017807}, {"SMILES": "N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccc(-c4ccccc4C#N)cc2n3-c2cc(C#N)ccc2-c2nc(C)nc(C)n2)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc(C#N)ccc4-c4nc(C)nc(C)n4)c3c2)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc(C#N)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5064194008559201}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n7c8cc9ccccc9cc8c(cc54)c67)nc4ccc5ccccc5c34)cc2)cc1.c1ccc2cc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n7c8cc9ccccc9cc8c(cc54)c67)nc4c3ccc3ccccc34)ccc2c1.c1ccc2cc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n7c8cc9ccccc9cc8c(cc54)c67)nc4ccc5ccccc5c34)ccc2c1", "similarity": 0.4896755162241888}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1", "similarity": 0.6627318718381113}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccc(-c7ccc8ccccc8c7)cc6c6cc(-c7ccc8ccccc8c7)ccc65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccc(-c7cccc8ccccc78)cc6c6cc(-c7cccc8ccccc78)ccc65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8ccccc78)ccc65)cc4)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6562009419152276}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)cc2)cc1", "similarity": 0.5482233502538071}, {"SMILES": "CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c(-c6ccccc6)nc(-c6ccccc6)nc4n5-c4ccccc4)cc3)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)c4c(-c6ccccc6)nc(-c6ccccc6)nc4n5-c4ccccc4)c3)cccc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c(c4)c4c(-c6ccccc6)nc(-c6ccccc6)nc4n5-c4ccccc4)c3)c3cccc4c3-c3ccccc3C4(C)C)cc21", "similarity": 0.4818791946308725}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c9ccccc9n(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8c7)ccc5n6-c5cccc(-c6cc(-c7ccccc7)nc(-n7c8ccc(-c9ccc%10c%11ccccc%11n(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)c%10c9)cc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)c%10c9)ccc87)n6)c5)cc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c9ccccc9n(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8c7)ccc5n6-c5cccc(-c6nc(-c7ccccc7)c7cc(-n8c9ccc(-c%10ccc%11c%12ccccc%12n(-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)c%11c%10)cc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)c%11c%10)ccc98)ccc7n6)c5)cc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c9ccccc9n(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c8c7)ccc5n6-c5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-n8c9ccc(-c%10ccc%11c%12ccccc%12n(-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)c%11c%10)cc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)c%11c%10)ccc98)c7)n6)c5)cc43)cc21", "similarity": 0.3044654939106901}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)c4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)c4)c3)n2)cc1", "similarity": 0.7067082683307332}, {"SMILES": "c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2c1c1cc3ccccc3cc1n2-c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3n2)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2c1c1cc3ccccc3cc1n2-c1ccc(-c2nc(-c3cccc4ccccc34)c3ccccc3n2)cc1", "similarity": 0.48355263157894735}, {"SMILES": "Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1.[Cu+2].c1ccc2c(-n3c4ccccc4c4ccccc43)c3ccccc3c(-n3c4ccccc4c4ccccc43)c2c1.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1", "similarity": 0.5232558139534884}, {"SMILES": "CC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c4cc21)c1ccccc1n3-c1ccccc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccc4)c4cc5c(cc4-6)c4ccccc4n5-c4ccccc4)cc3)n2)cc1", "similarity": 0.5544041450777202}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2ccccc2)n1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.541029207232267}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(C)cc4c4cc(C)ccc43)c(-n3c4ccc(C)cc4c4cc(C)ccc43)c2)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(C(C)(C)C)ccc43)c(-n3c4ccccc4c4cc(C(C)(C)C)ccc43)c2)cc1", "similarity": 0.5644504748982361}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1", "similarity": 0.5254237288135594}, {"SMILES": "Cc1cc(C)cc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3cc(C)cc(C)c3)n2)c1.Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)n3)cc2)cc1.c1ccc2cc(-c3cc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1", "similarity": 0.6169590643274854}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5cccc6ccc7cc(-c8cc9ccc%10cccc%11c%10c9c(c8)n%11-c8ccccc8)cc4c7c65)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5ccc6c(-c7ccc8c9c7ccc7cccc(c79)n8-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc3c6c54)n2)cc1", "similarity": 0.5257903494176372}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c5cc6ccccc6cc54)c3)n2)cc1", "similarity": 0.6534181240063593}, {"SMILES": "c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c5ccc(-c6ccccc6)cc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccc(-c6ccccc6)cc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5ccc(-c6ccccc6)cc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc2)cc1", "similarity": 0.4822888283378747}, {"SMILES": "Cc1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(C)cc1-c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1.Cc1cc(C)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1", "similarity": 0.6035714285714285}, {"SMILES": "c1ccc(-c2nc(-c3ccc4c(c3)c3cc5c(ccn5-c5ccccc5)cc3n4-c3ccccc3)nc3ccccc23)cc1.c1ccc(-n2ccc3cc4c(cc32)c2cc(-c3nc(-c5ccc(-c6ccccn6)cc5)c5ccccc5n3)ccc2n4-c2ccccc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2cc(-c3nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc5n3)ccc2n4-c2ccccc2)cc1", "similarity": 0.5412698412698412}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccc(-c2ccccc2)cc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccc2ccccc2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1cccc2ccccc12.[C-]#[N+]c1ccc2c(c1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccccc1", "similarity": 0.5609756097560976}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5c(C#N)cc(-n6c7ccc(N(c8ccccc8)c8ccccc8)cc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5C#N)cc4)cc3)nc(-c3ccc(C#N)cc3)n2)cc1.[C-]#[N+]c1cc(-c2ccc(-c3ccc(-c4cc(-c5ccc(C#N)cc5)nc(-c5ccc(C#N)cc5)n4)cc3)cc2)cc([N+]#[C-])c1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc([N+]#[C-])cc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6cccc([N+]#[C-])c6)nc(-c6cccc([N+]#[C-])c6)n5)cc4)cc3)cc2)cc1", "similarity": 0.47411764705882353}, {"SMILES": "CC1(C)c2cc3c4c5ccccc5ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc3c4cc5ccccc5cc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc3c4ccc5ccccc5c4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccc4ccccc4c3c3cccc1c32.CC1(C)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc2-n2c3ccccc3c3c4ccccc4cc1c32.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(C)C)cc3)cc21", "similarity": 0.41334661354581675}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)n2)cc1", "similarity": 0.711892797319933}, {"SMILES": "Cc1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)c(C)c3)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3C)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4C)cc3)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.7597292724196277}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.6691176470588235}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1", "similarity": 0.37679425837320574}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7c8c9ccccc9ccc8n(-c8ccccc8)c7c6)n5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccccc3)n2)cc1", "similarity": 0.5319444444444444}, {"SMILES": "[C-]#[N+]c1ccc(-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C#N)ccc3-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)n2)c1.[C-]#[N+]c1ccc(-n2c3cc(C)ccc3c3ccc(C(F)(F)F)cc32)c(-c2nc(-c3ccccc3)nc(-c3cc([N+]#[C-])ccc3-n3c4cc(C)ccc4c4ccc(C(F)(F)F)cc43)n2)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc([N+]#[C-])ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)n2)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C#N)ccc3-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)n2)c1", "similarity": 0.3012729844413013}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5cccc6c5n(c34)-c3ccccc3N6c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6cccc7c6n(c5cc43)-c3ccccc3N7c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6cccc7c6n(c5c43)-c3ccccc3N7c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-n4c5ccc6c(c7ccccc7n6-c6ccccc6)c5c5cccc3c54)n2)cc1", "similarity": 0.48293963254593175}, {"SMILES": "C[Si](C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5c4)cc32)cc1.Cc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5c4)cc32)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c5)cc43)c2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8)c7c6)cc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c7c6)cc54)cc3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c5)cc43)c2)cc1", "similarity": 0.3597710547833197}, {"SMILES": "c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)n4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)cc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)n4)cc3)c2)cc1", "similarity": 0.6404494382022472}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc2)cc1", "similarity": 0.6530278232405892}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)ccc43)n2)cc1", "similarity": 0.6459016393442623}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5ccccc5)c(-n5c6ccccc6c6ccccc65)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7n(-c7ccccc7)c6c5)c(-n5c6ccccc6c6ccccc65)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc3)n2)cc1", "similarity": 0.5605670103092784}, {"SMILES": "CC1=C(C)C(C)(C)c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc21.CC1=C(C)C(C)(C)c2cc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3cc21.CC1=C(C)C(C)(C)c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.CC1=C(C)C(C)(C)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3cc21", "similarity": 0.5543130990415336}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)n2)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)n2)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5cccc6ccccc56)n4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-n5c6ccccc6c6ccccc65)n4)c32)cc1", "similarity": 0.3365461847389558}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)c7c6)c5ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccc9ccccc9c8)c7ccc65)cc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8cccc9ccccc89)c7ccc65)cc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cc43)n2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8c9ccccc9n(-c9nc(-c%10ccccc%10)cc(-c%10ccccc%10)n9)c8c7)c6ccc54)c3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)c7c6)c5ccc43)c2)cc1", "similarity": 0.3601312551271534}, {"SMILES": "Cc1cc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(-n3c4c(C)c(C)c(C)c(C)c4c4c(C)c(C)c(C)c(C)c43)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)nc(C)n1.Cc1cc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(-n3c4c(C)c(C)c(C)c(C)c4c4c(C)c(C)c(C)c(C)c43)c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)nc(C)n1.Cc1cc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)c(-n3c4c(C)c(C)c(C)c(C)c4c4c(C)c(C)c(C)c(C)c43)c(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)nc(C)n1", "similarity": 0.4889466840052016}, {"SMILES": "[C-]#[N+]c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1.[C-]#[N+]c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccc(-c4ccc5ccccc5c4)cc32)c1.[C-]#[N+]c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccccc4)cc32)c1", "similarity": 0.5073529411764706}, {"SMILES": "N#Cc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.55}, {"SMILES": "c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)cc3)n2)cc1", "similarity": 0.5160202360876898}, {"SMILES": "c1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cccc4c(-n5c6ccccc6c6cc7c(-n8c9ccccc9c9ccccc98)cccc7cc65)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3ccc(-n4c5ccccc5c5cc6cc(-n7c8ccccc8c8ccccc87)ccc6cc54)c4ccccc34)n2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccc6ccccc6c5c4)nc(-c4cc(-n5c6ccccc6c6cc7ccc(-n8c9ccccc9c9ccccc98)cc7cc65)cc5ccccc45)n3)ccc2c1", "similarity": 0.541838134430727}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1", "similarity": 0.667262969588551}, {"SMILES": "c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccccc9)cc8)n7)cc6)cc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccc(-c8cccc(-c9ccccc9)c8)cc7)c6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)cc4)n3)cc2)cc1", "similarity": 0.3776978417266187}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c([N+]#[C-])c1.[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc([N+]#[C-])cc7)cc65)c4-c4nc(C)nc(C)n4)c3c2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7C#N)cc65)c4-c4nc(C)nc(C)n4)c3c2)c(C#N)c1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2-c2nc(C)nc(C)n2)c1", "similarity": 0.3210059171597633}, {"SMILES": "Cc1cccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)n4)c3)cc2)c1.Fc1cc(-c2ccc(-c3cnc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)nc3)cc2)ccc1-c1ccccc1.c1ccc(-c2ccc(-c3cccc(-c4cnc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)ccc76)cc5)nc4)c3)cc2)cc1.c1ccc(-c2ccccc2-c2ccc(-c3cnc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cccc(-c9ccccn9)c8)c7c6)ccc54)nc3)cc2)cc1", "similarity": 0.5394242803504381}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c6)c5)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)ccc4n5-c4ccccc4)c3)n2)cc1", "similarity": 0.5387547649301143}, {"SMILES": "Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.Cc1cc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)ccc1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.Cc1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(N(c8ccccc8)c8ccccc8)cc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)cc4)cc3)n2)cc1", "similarity": 0.5490956072351422}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c5)cc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c5)cc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9cccc%10ccccc9%10)cc8)c7c6)cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7c6)cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c6)cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)c3)n2)cc1", "similarity": 0.3598673300165838}, {"SMILES": "N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.[C-]#[N+]c1c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-n1c2ccc(C)cc2c2cc(C)ccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3ccccc32)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1-n1c2ccccc2c2ccccc21", "similarity": 0.6171171171171171}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)c5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)n3)c2)cc1", "similarity": 0.5864527629233511}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6cc7c8ccccc8n(-c8ccccc8)c7c7ccccc67)c6ccccc6c54)nc4ccccc34)cc21.c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc(-c6cc7c8ccccc8n(-c8ccccc8)c7c7ccccc67)c6ccccc6c54)nc4ccccc34)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6nc(-c7cccc8ccccc78)c7ccccc7n6)c5c5ccccc45)c4ccccc4c32)cc1", "similarity": 0.48551724137931035}, {"SMILES": "CC1(C)c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)c4)c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)n3)cc2)cc1", "similarity": 0.5591397849462365}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c4ccccc34)n2)cc1", "similarity": 0.5555555555555556}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5n4)ccc32)cc1", "similarity": 0.6765676567656765}, {"SMILES": "N#Cc1ccc2c(c1)c1c(ccc3c4ccccc4n(-c4ccccc4)c31)n2-c1ccc2c(c1)c1c(ccc3c4ccccc4n(-c4ccccc4)c31)n2-c1ccccc1.c1ccc(-c2cc(-c3cccc4c3c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3ccc4c(c3)c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3ccc4c(c3)c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3ccccc3)n2)cc1", "similarity": 0.5271523178807948}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1", "similarity": 0.5378266850068776}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)cc4)cc3)n2)cc1", "similarity": 0.6270566727605119}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc6ccccc6c54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccc6ccccc6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccc6ccccc6c54)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(N(c4ccccc4)c4ccccc4)c(-n4c5ccccc5c5ccc6ccccc6c54)c(N(c4ccccc4)c4ccccc4)c3)n2)cc1", "similarity": 0.4966974900924703}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)cc21.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)nc(-c3ccccc3)n2)cc1", "similarity": 0.5668449197860963}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4cc([N+]#[C-])c(-c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)c([N+]#[C-])c4)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1.[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4ccc(-c5c(C#N)cc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5C#N)cc4)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1.[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-n8c9ccc([N+]#[C-])cc9c9cc([N+]#[C-])ccc98)ccc76)cc5)cc4)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1", "similarity": 0.6439942112879884}, {"SMILES": "N#Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.N#Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.N#Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.N#Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.4693446088794926}, {"SMILES": 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"c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c7ccccc7c7ccccc7c6c5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)ccc32)cc1", "similarity": 0.5455729166666666}, {"SMILES": "c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n1)c1ccccc12", "similarity": 0.6052173913043478}, {"SMILES": "N#Cc1cc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2)ccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1cc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)ccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.N#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc(C#N)c1-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.7287066246056783}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)ccc54)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1", "similarity": 0.5261239368165249}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc43)cc2)cc1", "similarity": 0.678373382624769}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4c(-c5ccc6ccccc6c5)cc5c6ccccc6n(-c6ccccc6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccc6ccccc6c5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c4ccc4c6cc7ccccc7cc6n(-c6ccccc6)c45)n3)cc2)cc1.c1ccc(-c2ccc(-n3c4c5ccccc5ccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c43)cc2)cc1", "similarity": 0.5423280423280423}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c43)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5c6ccccc6cc6c7ccccc7n(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c56)ccc43)cc2)cc1", "similarity": 0.5607235142118863}, {"SMILES": "[C-]#[N+]c1cc(-c2cc(-c3ccccc3[N+]#[C-])nc(-c3ccccc3[N+]#[C-])n2)c(C#N)cc1-c1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5[N+]#[C-])nc(-c5ccccc5[N+]#[C-])n4)cc3)cc2)cc1.[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4ccc(-c5cc([N+]#[C-])c(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5C#N)cc4)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1", "similarity": 0.6463768115942029}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)ccc5n6-c5cccc(-c6cc(-c7ccccc7)nc(-n7c8ccc(-c9cc(-c%10ccccc%10)cc(-c%10ccccc%10)c9)cc8c8cc(-c9ccc%10c(c9)c9cc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)c%11)ccc9n%10-c9ccccc9)ccc87)n6)c5)ccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8cccc(-c9ccccc9)c8)ccc76)c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8)c7)ccc65)n4)c3)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)nc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9cc(-c%10ccccc%10)ccc9-c9ccccc9)ccc87)n6)c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7-c7ccccc7)nc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9cccc(-c%10ccccc%10)c9)ccc87)n6)c5)ccc43)c2)cc1", "similarity": 0.30060524546065903}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5ccccc5cc4c4c(-n5c6ccccc6c6ccc7ccccc7c65)cccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccc7ccccc7c65)c5ccccc5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5cc(-n6c7ccccc7c7ccc8ccccc8c76)ccc5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5cc43)n2)cc1", "similarity": 0.5065963060686016}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccccc34)n2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc3ccccc3c2)c(-c2cc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)c2)c1", "similarity": 0.5205811138014528}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)nc(-c3cccc4ccccc34)n2)cc1", "similarity": 0.5720858895705522}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4cc(-c5ccccc5-n5c6ccccc6c6ccccc65)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c3)nc(-c3ccc4cc(-c5ccccc5-n5c6ccccc6c6ccccc65)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c3)nc(-c3ccc4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c3)n2)cc1", "similarity": 0.38046511627906976}, {"SMILES": "Cc1nc2cccc3c2n1-c1ccc(-c2cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c2)cc1N3c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2cc(-c4ccccc4)cc(-c4ccccc4)c2)cc1N3c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)cc1N3c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)cc1N3c1ccccc1", "similarity": 0.5464071856287425}, {"SMILES": "[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])cc3c3cc(-c4c(C#N)cc([N+]#[C-])cc4[N+]#[C-])ccc32)cc1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3cc(-c4c(C#N)cc([N+]#[C-])cc4[N+]#[C-])ccc32)cc1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1", "similarity": 0.5349462365591398}, {"SMILES": "N#Cc1cccc2c1c1ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc1n2-c1ccccc1.c1ccc(-c2cc(-c3cccc4c3c3ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc3n4-c3ccccc3)n2)cc1", "similarity": 0.574468085106383}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(C)c1.Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1", "similarity": 0.7237936772046589}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc(-c%11ccccc%11)cc(-c%11ccc(C#N)cc%11)n%10)ccc98)cc7)c6)cc5)ccc43)n2)cc1.N#Cc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)cc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc(-c%11ccccc%11)cc(-c%11ccc(C#N)cc%11)n%10)ccc98)c7)c6)c5)ccc43)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)cc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc(-c%11ccccc%11)nc(-c%11ccc(C#N)cc%11)n%10)ccc98)c7)c6)c5)ccc43)n2)cc1", "similarity": 0.41841385597082953}, {"SMILES": "c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5cc6c7ccccc7n(-c7ccccc7)c6cc5c5c6ccccc6ccc54)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc6c7ccccc7n(-c7ccccc7)c6cc5c5c6ccccc6ccc54)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-n5c6cc7ccccc7cc6c6cc7c8ccccc8n(-c8ccc9ccccc9c8)c7cc65)ccc4c3)n2)cc1", "similarity": 0.5716395864106352}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc5c(c6ccccc6n5-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4c4ccc5ccccc5c43)c2)cc1.c1ccc(-c2ccc(-n3c4ccc5c(c6ccccc6n5-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4c4ccc5ccccc5c43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6c7ccc8ccccc8c7n(-c7ccccc7)c6ccc54)c3)n2)cc1", "similarity": 0.5674074074074074}, {"SMILES": "CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(C)C)ccc65)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(C)C)ccc65)n4)c3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7(C)C)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7(C)C)ccc54)n3)ccc21", "similarity": 0.5739644970414202}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5cc6ccccc6cc5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)c4ccccc4n3)cc2)cc1.c1ccc2cc(-c3nc(-n4c5cc6ccccc6cc5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)c4ccccc4n3)ccc2c1.c1ccc2cc3c(cc2c1)c1c2c4ccccc4n4c5ccccc5c(cc1n3-c1nc(-n3c5ccccc5c5ccccc53)nc3ccccc13)c24", "similarity": 0.49847560975609756}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)nc(-c3ccccc3)n2)cc1", 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"Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)n2)cc1", "similarity": 0.6325925925925926}, {"SMILES": "Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21", "similarity": 0.5647668393782384}, {"SMILES": "c1ccc(-c2ccc(-c3cccc4c3ccc3c4c4c5ccccc5ccc4n3-c3ccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccccc5n4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7ccccc7)cc65)c5ccccc45)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6c(-c6ccccc6)cc54)c4ccccc34)nc3ccccc23)cc1", "similarity": 0.5049365303244006}, {"SMILES": "CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4cc(-c5cccc(C#N)c5)ccc4-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4cc(-c5cccc(C#N)c5)ccc4-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4cc(-c5cccc(C#N)c5)ccc4-n4c5ccccc5c5cc(-c6ccccc6)ccc54)ccc3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)n2)cc(C(C)(C)C)c1", "similarity": 0.42720510095642933}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4ccc(-c5cc([N+]#[C-])c(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)c([N+]#[C-])c5)cc4)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1.[C-]#[N+]c1ccccc1-c1cc(-c2ccc(-c3c(C#N)cc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc3C#N)cc2)nc(-c2ccccc2[N+]#[C-])n1.[C-]#[N+]c1ccccc1-c1cc(-c2ccc(-c3cc([N+]#[C-])c(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)c([N+]#[C-])c3)cc2)nc(-c2ccccc2[N+]#[C-])n1.[C-]#[N+]c1ccccc1-c1cc(-c2ccc(-c3ccc(-c4c(C#N)cc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4C#N)cc3)cc2)nc(-c2ccccc2[N+]#[C-])n1", "similarity": 0.4571118349619978}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)c3cc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)nc4ccccc34)cc2)cc1", "similarity": 0.5441860465116279}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc(-c3cccc4c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5c5ccccc5c34)cc2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2c2c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cccc32)cc1.c1ccc(-c2ccc3c4ccccc4c4c(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cccc4c3c2)cc1.c1ccc(-c2cccc3c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4c4ccccc4c23)cc1.c1ccc(-c2cccc3c4ccccc4c4c(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cccc4c23)cc1", "similarity": 0.3784261715296198}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)c4)n3)c2)cc1", "similarity": 0.6217105263157895}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6cccc7ccccc67)c54)cc3)n2)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c23)cc1", "similarity": 0.5786593707250342}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5c(c6ccccc64)CCCC5)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5c(c6ccccc64)CCCC5)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2c(n3-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)CCC(c3ccccc3)C2)cc1", "similarity": 0.4957841483979764}, {"SMILES": "c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccccc4c4cc5c6ccc7ccccc7c6n(-c6ccccc6)c5cc43)cc2)cc1.c1ccc(-c2ccc(-n3c4cc5c(cc4c4c6ccccc6ccc43)c3ccccc3n5-c3nc(-c4ccccc4)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc(-n3c4cc5c(cc4c4c6ccccc6ccc43)c3ccccc3n5-c3nc4ccccc4nc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-n3c4cc5c(cc4c4ccc6ccccc6c43)c3ccccc3n5-c3nc4ccccc4nc3-c3ccccc3)cc2)cc1", "similarity": 0.5246995994659546}, {"SMILES": "Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2c3ccc(C(F)(F)F)cc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.Cc1ccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5194479297365119}, {"SMILES": 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"c1cc(-c2nc(-c3cccc4ccccc34)nc3c2ccc2ccccc23)cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)c4)c4ccc5ccccc5c4n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)c3ccc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c3ccc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c3ccc4ccccc4c3n2)cc1", "similarity": 0.41800947867298577}, {"SMILES": "c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8ccccc8c7)c6ccc54)cc4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8ccccc8c7)c6ccc54)cc4ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8ccccc8c7)c6ccc54)cc4ccccc34)n2)cc1", "similarity": 0.6275430359937402}, {"SMILES": "CC1(C)c2ccccc2-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21", "similarity": 0.4491392801251956}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c5ccc6ccccc6c5n(-c5nc(-c6ccccc6)c6ccccc6n5)c34)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c5ccccc5cc5c6c7ccccc7ccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c5ccccc5cc5c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)cc3)n2)cc1", "similarity": 0.44785276073619634}, {"SMILES": "Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)n2)cc1.Cc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)c1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)n4)cc32)cc1.c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc3)cccc2c1", "similarity": 0.3455824863174355}, {"SMILES": 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"N#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc(C#N)c1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.N#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc([N+]#[C-])c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c(C#N)c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1[N+]#[C-].[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1", "similarity": 0.4281867145421903}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(C4(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(C4(c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c5ccccc5-c5ccccc54)ccc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc6c(c5)c5c7c8ccccc8n(-c8ccccc8)c7ccc5n6-c5ccccc5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc5n6-c5ccccc5)c5ccccc5-c5ccccc54)cc3)n2)cc1", "similarity": 0.47678369195922987}, {"SMILES": "N#Cc1ccc2c(c1)c1c(ccc3c4ccccc4n(-c4ccc5c(c4)c4ccc6c(c7ccccc7n6-c6ccccc6)c4n5-c4ccccc4)c31)n2-c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3c(ccc5c6ccccc6n(-c6ccc7c(c6)c6ccc8c(c9ccccc9n8-c8ccccc8)c6n7-c6ccccc6)c53)n4-c3ccccc3)n2)cc1", "similarity": 0.5188834154351396}, {"SMILES": "Fc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(F)cc5)cc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cc2)cc1.Fc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cc2)cc1.Fc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc2)cc1.Fc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cc2)cc1.Fc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(F)cc5)cc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cc2)cc1.Fc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cc2)cc1", "similarity": 0.4030937215650591}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1", "similarity": 0.6351351351351351}, {"SMILES": "c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc7ccccc7c7ccccc67)ccc54)n3)ccc2c1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8ccccc8c8ccccc8c7c6)ccc54)n3)ccc2c1", "similarity": 0.5433333333333333}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7nc8ccccc8c8nc9ccccc9n78)c6c5)cc43)cc2)cc1.c1ccc(-n2c3cc(-c4ccc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c4)ccc3c3c4ccccc4ccc32)cc1.c1ccc(-n2c3cc(-c4ccc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c4)ccc3c3ccc4ccccc4c32)cc1.c1ccc(-n2c3ccc(-c4ccc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c4)cc3c3c4ccccc4ccc32)cc1", "similarity": 0.4967741935483871}, {"SMILES": "c1ccc(-c2ccc(N(c3ccc(-c4cccnc4)cc3)c3ccc4c(c3)c3c5ccn(-c6ccccc6)c5ccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc4c(c3)c3c5ccn(-c6ccccc6)c5ccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ncccn4)cc3)c3ccc4c(c3)c3c5ccn(-c6ccccc6)c5ccc3n4-c3ccccc3)cc2)cc1", "similarity": 0.48952095808383234}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5c6ccccc6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6ccccc6c5c5cccc(-c6ccccc6)c54)cc3)n2)cc1", "similarity": 0.49838709677419357}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4c5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc5c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-n3c4ccccc4c4c5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc5c43)n2)cc1", "similarity": 0.5072886297376094}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)nc3cc(-c4ccc5ccccc5c4)ccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)nc3ccc(-c4ccc5ccccc5c4)cc23)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)c6cc(-c7ccc8ccccc8c7)ccc6n5)c4ccc32)cc1", "similarity": 0.552099533437014}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7cccc8ccccc78)c7ccccc7n6)c5ccc43)c2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8cccc9ccccc89)c8ccccc8n7)c6ccc54)c3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7cccc8ccccc78)c7ccccc7n6)c5ccc43)c2)cc1.c1ccc2c(-c3nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7c8c9ccccc9n(-c9cccc%10ccccc9%10)c8ccc76)ccc54)nc4ccccc34)cccc2c1", "similarity": 0.45136612021857925}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.c1ccc(-n2c(-c3cc(-c4nc5c6ccc7ccccc7c6ccc5n4-c4ccccc4)cc(-c4nc5ccc6c7ccccc7ccc6c5n4-c4ccccc4)c3)nc3c4ccc5ccccc5c4ccc32)cc1", "similarity": 0.44113667117726657}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1", "similarity": 0.6699346405228758}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.5221518987341772}, {"SMILES": "c1cc(-c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc(-c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)c1.c1ccc(-c2cc(-c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3)cc(-c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)cc(-c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)cc(-c4ccc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)c2)cc1", "similarity": 0.34915254237288135}, {"SMILES": "CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2c(-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c2-n2c3ccccc3c3ccccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2c(-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3ccccc32)cc1", "similarity": 0.5079155672823219}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5cc6ccccc6cc5c5c(-n6c7ccccc7c7cc8ccccc8cc76)cccc54)c4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6c(-n6c7ccccc7c7cc8ccccc8cc76)c54)cc3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1", "similarity": 0.5056910569105691}, {"SMILES": "CC(C)(C)[Si](C)(C)c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c4ccccc34)nc(-c3ccccc3)n2)cc1", "similarity": 0.592057761732852}, {"SMILES": "c1ccc(-c2cc3c(c4ccccc24)c2cc4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c4cc2n3-c2ccccc2)cc1.c1ccc(-c2cc3c4cc5c6ccccc6n(-c6nc7ccccc7nc6-c6ccc7ccccc7c6)c5cc4n(-c4ccccc4)c3c3ccccc23)cc1.c1ccc(-c2cccc(-n3c4cc5c(cc4c4c6ccccc6c(-c6ccccc6)cc43)c3ccccc3n5-c3nc4ccccc4nc3-c3ccccc3)c2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c5cc(-c6ccccc6)c6ccccc6c5n(-c5ccccc5)c4cc32)cc1", "similarity": 0.4763092269326683}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1", "similarity": 0.5793918918918919}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1.N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c1", "similarity": 0.4897260273972603}, {"SMILES": "CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)c4ccc5ccccc5c4n3)ccc21.c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c4ccc5ccccc5c4n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)c3ccc4ccccc4c3n2)cc1.c1ccc2cc(-c3nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c4ccc5ccccc5c4n3)ccc2c1", "similarity": 0.5521390374331551}, {"SMILES": "Cn1c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cc3)cccc2c2c1c(-c1ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cc1)cc1c3ccccc3n(-c3ccccc3)c12.Cn1c2c(-c3ccccc3-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cccc2c2c1c(-c1ccccc1-c1nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n1)cc1c3ccccc3n(-c3ccccc3)c12", "similarity": 0.4397076735688185}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5c5cc6ccccc6cc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4cc(-n5c6ccccc6c6c7ccccc7ccc65)ccc4c4cc5ccccc5cc43)nc3ccccc23)cc1.c1ccc2cc(-c3nc(-n4c5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5c5cc6ccccc6cc54)nc4ccccc34)ccc2c1", "similarity": 0.5545171339563862}, {"SMILES": "c1ccc(-c2cc(-c3ccc4cc(C56CC7CC(C5)CC(c5ccc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c5)(C7)C6)ccc4c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(C56CC7CC(C5)CC(c5ccc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c5)(C7)C6)ccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(C56CC7CC(C5)CC(c5ccc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c5)(C7)C6)ccc4c3)n2)cc1.c1ccc(B(c2ccccc2)c2ccc3cc(C45CC6CC(C4)CC(c4ccc7cc(-n8c9ccccc9c9ccccc98)ccc7c4)(C6)C5)ccc3c2)cc1", "similarity": 0.4879518072289157}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc7c(ccn7-c7ccccc7)cc65)c4)nc4ccccc34)c3ccccc23)cc1.c1ccc(-n2ccc3c4c5ccccc5n(-c5ncc6ccccc6n5)c4ccc32)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2cccc(-c3nc4ccccc4c4c5ccccc5c5ccccc5[n+]34)c2)cc1", "similarity": 0.4792332268370607}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)cc1-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)cc1-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)cc1-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)cc1-c1ccccc1", "similarity": 0.40301724137931033}, {"SMILES": "Fc1c(F)c(F)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)c4ccc5c(N(c6ccccc6)c6cccc7ccccc67)ccc2c5c43)c(F)c1F.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(N(c5ccccc5)c5ccccc5)c5ccc6c(N(c7ccccc7)c7ccccc7)ccc3c6c54)n2)cc1.c1ccc(N(c2ccc(-c3ccc4c5c3ccc3c(N(c6ccccc6)c6ccccc6)ccc(c35)n4-c3ccccc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c6c4ccc4c(N(c7ccccc7)c7ccccc7)ccc(c46)n5-c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c5c3ccc3c(N(c6ccccc6)c6ccccc6)ccc(c35)n4-c3ccccc3)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5c3ccc3c(N(c6ccccc6)c6ccccc6)ccc(c35)n4-c3ccccc3)c2)cc1", "similarity": 0.3047945205479452}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)c6c5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6c5)ccc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1", "similarity": 0.6817420435510888}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21", "similarity": 0.5214899713467048}, {"SMILES": "[C-]#[N+]c1cc(-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)c(-n2c3cc(-c4nc(C)nc(C)n4)ccc3c3ccc(-c4nc(C)nc(C)n4)cc32)cc1-c1ccc(C(F)(F)F)cc1C(F)(F)F.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)cc1-c1ccc(C(F)(F)F)cc1C(F)(F)F.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4nc(C)nc(C)n4)cc32)c(-n2c3ccccc3c3ccc(-c4nc(C)nc(C)n4)cc32)cc1-c1ccc(C(F)(F)F)cc1C(F)(F)F", "similarity": 0.3508557457212714}, {"SMILES": "[C-]#[N+]c1cc(C#N)ccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(C)c2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(C(F)(F)F)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2c(-c3cccc(C)c3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(C(F)(F)F)c2)cc1.[C-]#[N+]c1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccc(-c4ccc([N+]#[C-])cc4C#N)cc3c3cc(-c4ccc(C#N)cc4[N+]#[C-])ccc32)c1", "similarity": 0.5389876880984952}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)N(c3ccc(-c5nc(-c6cccc(-n7c8ccccc8c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc87)c6)nc(-c6cccc(-n7c8ccccc8c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc87)c6)n5)cc3)C3CCCCC43)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccccc5n(-c5ccc(-c6cc(-c7cccc(-n8c9ccccc9c9ccc(-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)cc98)c7)nc(-c7cccc(-n8c9ccccc9c9ccc(-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)cc98)c7)n6)cc5)c4c3)cc21", "similarity": 0.5573549257759784}, {"SMILES": "c1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc23)cc1", "similarity": 0.5483443708609271}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)n2)cc1", "similarity": 0.5816993464052288}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)ccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)cc(-c3ccc4ccccc4c3)n2)cc1", "similarity": 0.7574750830564784}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6c5)cc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)cc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc(-c8cccc9ccccc89)cc7)c6c5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)n2)cc1", "similarity": 0.42070275403608737}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)cc1", "similarity": 0.6378466557911908}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6cc7ccccc7c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)n5)ccc43)c2)cc1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6cc7ccccc7c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)n5)ccc43)cccc2c1", "similarity": 0.5399673735725938}, {"SMILES": "c1cc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc3ccccc23)cc(-n2c3cc4ccccc4cc3c3c(-n4c5ccccc5c5c6ccccc6ccc54)cccc32)c1.c1cc(-c2nc(-c3cccc4ccccc34)nc3ccccc23)cc(-n2c3cc4ccccc4cc3c3c(-n4c5ccccc5c5c6ccccc6ccc54)cccc32)c1.c1ccc2c(c1)-c1cccc3c(-c4nc(-c5ccc(-n6c7ccccc7c7cc8cc(-n9c%10ccccc%10c%10c%11ccccc%11ccc%109)ccc8cc76)c6ccccc56)c5ccccc5n4)ccc-2c13", "similarity": 0.4906166219839142}, {"SMILES": "[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c(C#N)c1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3cc(C)ccc32)c(C#N)c1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3cc([N+]#[C-])ccc32)c(C#N)c1", "similarity": 0.43902439024390244}, {"SMILES": "C.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c5ccc43)cc21.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c8ccccc8c8ccccc8c7c6)c45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7ccccc7)c6)c45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6ccc54)c3)cc2)cc1", "similarity": 0.3104956268221574}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2)cc1.N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1.c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccc(-c6ccc(-c7ccccc7)cc6)cc5c5cc(-c6ccc(-c7ccccc7)cc6)ccc54)c3)cc2)cc1", "similarity": 0.46110484780157834}, {"SMILES": "Cc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5c4)cc32)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c5)cc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c5)cc43)c2)cc1", "similarity": 0.7111111111111111}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6cc(-c7ccc(-c8ccccc8)c8ccccc78)ccc6ccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6cc(-c7ccc8cc(-c9cccc%10ccccc9%10)ccc8c7)ccc6ccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6ccc(-c7ccc(-c8ccccc8)c8ccccc78)cc6ccc54)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6322378716744914}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)n2)cc1.c1ccc(C2N=C(c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)N(c3ccccc3)C2c2ccccc2)cc1", "similarity": 0.474090407938258}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c(C#N)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1[N+]#[C-].[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2[N+]#[C-])cc1", "similarity": 0.6398891966759003}, {"SMILES": "CC1(C)c2cc(F)ccc2-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc21.Fc1ccc2cc(-c3cc(-c4ccc5cc(F)ccc5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)ccc2c1.Fc1ccc2cc(-c3nc(-c4ccc5cc(F)ccc5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)ccc2c1.Fc1ccc2cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)ccc2c1", "similarity": 0.5525291828793775}, {"SMILES": "CC(C)(C)c1cc(-c2ccccc2)cc2c3cc(-c4ccccc4)ccc3n(-c3c(-c4ccccc4)cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cc3-c3ccccc3)c12.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)c(-c7ccccc7)ccc6c6ccc(-c7ccccc7)c(-c7ccccc7)c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)ccc(-c7ccccc7)c6c6c(-c7ccccc7)ccc(-c7ccccc7)c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6cc(-c7ccccc7)c(-c7ccccc7)cc6c6cc(-c7ccccc7)c(-c7ccccc7)cc65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6cc(-c7ccccc7)cc(-c7ccccc7)c6c6c(-c7ccccc7)cc(-c7ccccc7)cc65)c(-c5ccccc5)c4)n3)cc2)cc1", "similarity": 0.24983164983164982}, {"SMILES": "Cc1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)n2)cc1.Cc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c(C)c3)nc(-c3cccc(C)c3)n2)c1.Cc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3C)nc(-c3cccc(C)c3)n2)c1.Cc1ccccc1-c1cc(-c2c(C)cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2C)nc(-c2ccccc2C)n1.Cc1ccccc1-c1cc(-c2cc(C)c(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c(C)c2)nc(-c2ccccc2C)n1.Cc1ccccc1-c1nc(-c2ccccc2)cc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)n1", "similarity": 0.5025906735751295}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6c(c5)c5ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc5n6-c5ccccc5)c(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6c7cc(-n8c9ccccc9c9ccccc98)ccc7n(-c7ccccc7)c6c5)c(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccc6c(c5)c5ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc5n6-c5ccccc5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccc6c7cc(-n8c9ccccc9c9ccccc98)ccc7n(-c7ccccc7)c6c5)c4)c3)n2)cc1", "similarity": 0.42829076620825146}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(cc4c4c3ccc3c6cc7c(cc6n(-c6ccccc6)c34)CC7)CC5)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(cc4c4c6c7cc8c(cc7n(-c7ccccc7)c6ccc43)CC8)CC5)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(cc4c4cc6c(cc43)c3cc4c(cc3n6-c3ccccc3)CC4)CC5)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(cc4c4cc6c7cc8c(cc7n(-c7ccccc7)c6cc43)CC8)CC5)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(cc4c4ccc6c(c7cc8c(cc7n6-c6ccccc6)CC8)c43)CC5)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)CC7)cc4c4cc5c(cc43)CC5)n2)cc1", "similarity": 0.3820335636722606}, {"SMILES": "c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc5ccccc45)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccc6ccccc6c5)cc4)n3)cc2)cc1", "similarity": 0.5854545454545454}, {"SMILES": "c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)nc6c5ccc5ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)c6)nc6ccc7ccccc7c56)cc4)ccc32)cc1", "similarity": 0.4771968854282536}, {"SMILES": "[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccccc4[N+]#[C-])nc(-c4ccccc4[N+]#[C-])n3)cc2)ccc1-c1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.[C-]#[N+]c1ccccc1-c1cc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)c(C)c4)cc3)cc2)nc(-c2ccccc2[N+]#[C-])n1.[C-]#[N+]c1ccccc1-c1cc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4C#N)cc3)cc2)nc(-c2ccccc2[N+]#[C-])n1", "similarity": 0.4719904648390942}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1", "similarity": 0.5450516986706057}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc1", "similarity": 0.6073529411764705}, {"SMILES": "CC(C)(C)c1cc(-c2ccccc2)cc2c3cc(-c4ccccc4)cc(-c4ccccc4)c3n(-c3c(-c4ccccc4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3ccccc3)c12.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5c(-c6ccccc6)c(-c6ccccc6)ccc5c5ccc(-c6ccccc6)c(-c6ccccc6)c54)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5c(-c6ccccc6)ccc(-c6ccccc6)c5c5c(-c6ccccc6)ccc(-c6ccccc6)c54)c(-c4ccccc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5cc(-c6ccccc6)c(-c6ccccc6)cc5c5cc(-c6ccccc6)c(-c6ccccc6)cc54)c(-c4ccccc4)c3)n2)cc1", "similarity": 0.3645320197044335}, {"SMILES": "[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc1-c1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1.[C-]#[N+]c1cc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc([N+]#[C-])c1-n1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.[C-]#[N+]c1ccc(N(c2ccc([N+]#[C-])cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1.[C-]#[N+]c1cccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)cc4)cc3)n2)c1", "similarity": 0.5005807200929152}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1", "similarity": 0.5921237693389592}, {"SMILES": "CC1(C)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c21.CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c21", "similarity": 0.5563025210084034}, {"SMILES": "[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c([N+]#[C-])c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc([N+]#[C-])c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.538083538083538}, {"SMILES": "c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)c3ccccc3n5-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)c3ccccc3n5-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4c4cc6c(cc54)c4ccccc4n6-c4ccccc4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3cc(-c4ccc5c(c4)c4ccccc4c4cc6c(cc54)c4ccccc4n6-c4ccccc4)ccc3c2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc3c(c2)c2ccccc2c2cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1.c1ccc(-n2c(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)c3ccccc3n5-c3ccccc3)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4c4cc6c(cc54)c4ccccc4n6-c4ccccc4)ccc32)cc1.c1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)c3ccccc3n5-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)c3ccccc3n5-c3ccccc3)c2)cc1", "similarity": 0.26983135540287323}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccccc5)c5c6ccccc6c6ccccc6c5c4-c4ccccc4)cc3)n2)cc1", "similarity": 0.5391891891891892}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1.Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4cc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1", "similarity": 0.4045954045954046}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)c(C)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1C.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2C)cc1", "similarity": 0.7032348804500703}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4-n4c5ccccc5c5cccc-6c54)c3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3-c3cccc4c6ccccc6n-5c34)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)-n3c4ccccc4c4cccc(c43)-c3ccccc3-5)nc3ccccc23)cc1", "similarity": 0.5362776025236593}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)c4)cc3)n2)cc1.c1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)C2(CCCCC2)c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2-3)cc1", "similarity": 0.5876010781671159}, {"SMILES": "[C-]#[N+]c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.[C-]#[N+]c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c23)c1.[C-]#[N+]c1ccccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c12", "similarity": 0.6141215106732348}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)cc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)n2)cc1", "similarity": 0.51985559566787}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)c3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)cc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)c4ccccc34)n2)cc1.c1ccc2c(-c3cc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc4)nc(-c4cccc5ccccc45)n3)cccc2c1", "similarity": 0.5955766192733017}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccc(-c4cccc([Ge](c5ccccc5)(c5ccccc5)c5ccccc5)c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc([Ge](c5ccccc5)(c5ccccc5)c5ccccc5)c4)ccc3-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)n2)cc1", "similarity": 0.42283298097251587}, {"SMILES": 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"c1ccc(-c2cccc(-c3ccc(-c4cc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)cc3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)cc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)n3)c2)cc1", "similarity": 0.6381381381381381}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4cccnc4c3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1", "similarity": 0.6851211072664359}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc([N+]#[C-])c(-c5nc(C)cc(C)n5)cc4-n4c5ccccc5c5ccc(-c6cccc([N+]#[C-])c6)cc54)c3c2)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc([N+]#[C-])c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3cc(C#N)c(-c4nc(C)cc(C)n4)cc3-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)c2c1", "similarity": 0.5279255319148937}, {"SMILES": "N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2cc(-c3c(-c4ccccc4)c(-c4ccccc4)c(C#N)c(-c4ccccc4)c3-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c(-c2ccccc2)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2cc(-c3c(-c4ccccc4)c(-c4ccccc4)c(C#N)c(-c4ccccc4)c3-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c(-c2ccccc2)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1cc(-c2c(C#N)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)nc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1", "similarity": 0.3816046966731898}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc43)c2)cc1", "similarity": 0.6429699842022117}, {"SMILES": "c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc(-c6ccccc6)ccc5-n5c6ccccc6c6ccccc65)c4)n3)cc(-n3c4ccccc4c4ccccc43)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)cc4-n4c5ccccc5c5ccccc54)c3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)ccc5-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)ccc5-n5c6ccccc6c6ccccc65)c4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc6c5c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)c2)cc1", "similarity": 0.38185085354896675}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8cc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12cccc%13c%14cccc(-c%15ccc%16c(c%15)c%15ccccc%15n%16-c%15ccccc%15)c%14n(-c%14ccccc%14)c%12%13)ccc%11%10)c9)nc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12cccc%13c%14cccc(-c%15ccc%16c(c%15)c%15ccccc%15n%16-c%15ccccc%15)c%14n(-c%14ccccc%14)c%12%13)ccc%11%10)c9)n8)c7)c6n(-c6ccccc6)c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4cccc5c6cccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)c6n(-c6cccc(-c7nc(-c8cccc(-n9c%10c(-c%11cccc%12c%13ccccc%13n(-c%13ccccc%13)c%11%12)cccc%10c%10cccc(-c%11cccc%12c%13ccccc%13n(-c%13ccccc%13)c%11%12)c%109)c8)nc(-c8cccc(-n9c%10c(-c%11cccc%12c%13ccccc%13n(-c%13ccccc%13)c%11%12)cccc%10c%10cccc(-c%11cccc%12c%13ccccc%13n(-c%13ccccc%13)c%11%12)c%109)c8)n7)c6)c45)c32)cc1", "similarity": 0.363244176013805}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cc6ccccc6c6ccccc56)nc5ccc(-c6cc7ccccc7c7ccccc67)cc45)c3)c2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc4ccc(-n5c6ccccc6c6ccccc65)cc34)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc5ccc(-n6c7ccccc7c7ccccc76)cc45)cc3)nc3ccccc32)cc1", "similarity": 0.6092307692307692}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2c(ccc4c5cc(-c6ccccc6)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c42)n3-c2ccccc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccc5c(c6cc(-c7ccccc7)ccc6n5-c5ccccc5)c3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccccc5)c(-c5ccccc5)c5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1", "similarity": 0.5384615384615384}, {"SMILES": "N#Cc1cccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)ccc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1cccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(-c5c(C#N)cc(C#N)cc5[N+]#[C-])cc4c4cc(-c5c(C#N)cc([N+]#[C-])cc5[N+]#[C-])ccc43)ccc2-n2c3ccc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])cc3c3cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc32)c1.[C-]#[N+]c1cccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)ccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1", "similarity": 0.4218436873747495}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c1.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c(C)c1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c(C)c1", "similarity": 0.5796269727403156}, {"SMILES": "c1ccc(-c2cc(-c3ccc4cc(-c5ccc(-c6ccc7cc(-n8c9ccccc9c9ccccc98)ccc7c6)cc5)ccc4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)ccc4n5-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)cc4c4cc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)ccc43)n2)cc1", "similarity": 0.5055928411633109}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc2n3-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5718954248366013}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-c2c(-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)cccc2C(F)(F)F)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1c(-n2c3ccccc3c3cc(C)ccc32)cccc1C(F)(F)F", "similarity": 0.5420875420875421}, {"SMILES": "c1cc(-c2cc(-c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)c3)cc(-c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)c3)c2)cc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)n1.c1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1ccccc1n2-c1cc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)nc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1", "similarity": 0.42045454545454547}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)n2)cc1.c1ccc(-c2ccc3nc4n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccc(-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6-c6ccccc6)cc5n4c3c2)cc1.c1ccc(-c2ccc3nc4n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5n4c3c2)cc1", "similarity": 0.5236768802228412}, {"SMILES": 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"c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)ccc23)cc1.c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)n3)cc2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)cc4c5cc(-c6ccccc6)ccc5c(-c5ccccc5)cc4c3c2)cc1", "similarity": 0.6055312954876274}, {"SMILES": "Cc1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.Cc1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1", "similarity": 0.6173469387755102}, {"SMILES": 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{"SMILES": "Cc1ccc2c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.N#Cc1ccc2c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.N#Cc1ccc2c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.N#Cc1ccc2c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.5918653576437588}, {"SMILES": "Cc1ccc2c(n1)c1cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc1n2-c1ccccc1.Cc1ccc2c(n1)c1cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc1n2-c1ccccc1.Cc1nc(C)c2c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc3n(-c3ccccc3)c2n1", "similarity": 0.6147260273972602}, {"SMILES": "Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c4)c3c2)cc1.Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)c1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)c1.Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c4)c3c2)c1", "similarity": 0.4336099585062241}, {"SMILES": "C.c1ccc(-c2nc(-c3ccc(-n4c5cccc6c5c5c7c(cc8ccccc8c7ccc54)-c4ccccc4-6)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c4c4c6c(cc7ccccc7c6ccc43)-c3ccccc3-5)n2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5cccc6c5c5c7c(cc8ccccc8c7ccc54)-c4ccccc4-6)cc3)cc2)cc1", "similarity": 0.5139751552795031}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)cc3)n2)cc1", "similarity": 0.6234652114597544}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6ccccc6c5)c43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c34)c2)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)c23)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)c23)cc1", "similarity": 0.49523809523809526}, {"SMILES": 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{"SMILES": "N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.7934595524956971}, {"SMILES": "Cc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc(C)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc(-c2cc(-c3c(C)cc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3C)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccc(-c2cc(-c3cc(C)c(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c(C)c3)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.6303630363036303}, {"SMILES": "Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc2c(c1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)c1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1", "similarity": 0.7229357798165138}, {"SMILES": 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{"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6ccccc6c54)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6ccccc6c54)c3)c3ccccc3n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6ccccc6c54)c3)nc3ccccc23)cc1", "similarity": 0.49617151607963245}, {"SMILES": "c1cc2c3c(cccc3c1)-c1c-2ccc2c1c1ccccc1n2-c1cc2ccccc2c2ccccc12.c1cc2c3c(cccc3c1)-c1c-2ccc2c3ccccc3n(-c3cc4ccccc4c4ccccc34)c12.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)-c4cccc5cccc-6c45)cc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c(ccc54)-c4cccc5cccc-6c45)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)-c4cccc5cccc-6c45)c3)nc3ccccc23)cc1", "similarity": 0.4967490247074122}, {"SMILES": 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0.3432343234323432}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)cc2)cc1", "similarity": 0.7133105802047781}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6cc7ccccc7cc6c(-n6c7ccccc7c7ccccc76)c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4c4cc5ccccc5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5cc43)n2)cc1", "similarity": 0.5902140672782875}, {"SMILES": "N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1", "similarity": 0.5481927710843374}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-n5c6ccccc6c6ccccc65)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-n5c6ccccc6c6ccccc65)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.5729813664596274}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)c([N+]#[C-])c1", "similarity": 0.6225352112676056}, {"SMILES": "c1ccc(-c2cc3c4ccccc4c4cccc5c4c4c6c3c(c2)n(-c2ccccc2)c6ccc4n5-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cc3c4ccccc4c4cccc5c4c4c6c3c(c2)n(-c2ccccc2)c6ccc4n5-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc3c4ccccc4c4cccc5c4c4c6c3c(c2)n(-c2ccccc2)c6ccc4n5-c2nc(-c3ccccc3)c3ccccc3n2)cc1", "similarity": 0.5585185185185185}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.48703703703703705}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c5c6ccccc6n6c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c(c7c8ccccc8n4c73)c56)n2)cc1", "similarity": 0.29159212880143115}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1", "similarity": 0.4454713493530499}, {"SMILES": "N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4c(-n5c6ccccc6c6ccccc65)c(C#N)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)ccc32)c1-n1c2ccccc2c2ccccc21", "similarity": 0.5279503105590062}, {"SMILES": "Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7cccc(Cc8c(-c9ccccc9C)ccc9c8c8cc(-c%10ccccc%10C)ccc8n9-c8cc(C#N)cc(-n9c%10ccc(-c%11ccccc%11C)cc%10c%10cc(-c%11ccccc%11C)ccc%109)c8-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)cc65)c4-c4nc(C)nc(C)n4)c3c2)c1", "similarity": 0.49348534201954397}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(C)nc(Cc3cc(C)cc4c3c3ccc(C)cc3n4-c3ccc(-c4nc(C)nc(C)n4)cc3-c3nc(C)nc(C)n3)n2)cc1-c1nc(C)nc(C)n1", "similarity": 0.2239057239057239}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccc9ccc(-c%10ccc%11nc(-n%12c%13ccccc%13c%13cc(-n%14c%15ccccc%15c%15c%16c%17ccccc%17n(-c%17cccc%18ccccc%17%18)c%16ccc%15%14)ccc%13%12)nc(-c%12ccccc%12)c%11c%10)cc9c8)c7ccc65)ccc43)nc3ccccc23)cc1", "similarity": 0.511265164644714}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1nc(-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nc(-n2c3ccccc3c3ccccc32)n1.N#Cc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2nc(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1", "similarity": 0.46650426309378806}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc(-n%11c%12ccccc%12c%12cc(-n%13c%14ccccc%14c%14ccccc%14%13)ccc%12%11)c%10)n9)cc8)cc76)ccc54)cc3)n2)cc1", "similarity": 0.5204460966542751}, {"SMILES": "c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1", "similarity": 0.5200573065902578}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5c5c6ccccc6ccc54)nc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2ccc(-c3nc(-n4c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(-c4nc(-n5c6ccc(-n7c8ccccc8c8c9ccccc9ccc87)cc6c6c7ccccc7ccc65)nc5ccccc45)cc3)cccc2c1", "similarity": 0.5353535353535354}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6cc(-n7c8ccccc8c8cc9ccccc9cc87)ccc6c6c7ccccc7ccc65)nc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6cc(-n7c8ccccc8c8ccc9ccccc9c87)ccc6c6c7ccccc7ccc65)nc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5nc4-n4c5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5c5c6ccccc6ccc54)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5nc4-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5c6ccccc6ccc54)cc32)cc1", "similarity": 0.4439359267734554}, {"SMILES": "N#Cc1cc(-c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1c3c4ccccc4n(-c4ccccc4)c3ccc1n2-c1ccccc1.N#Cc1cc(-c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)n2)ccc1-c1ccc2c3c4c5ccccc5n(-c5ccccc5)c4ccc3n(-c3ccccc3)c2c1.N#Cc1cc(-c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)n2)ccc1-c1cccc2c3c4c5ccccc5n(-c5ccccc5)c4ccc3n(-c3ccccc3)c12", "similarity": 0.5290697674418605}, {"SMILES": "N#Cc1c(-c2ccccc2)nc(-c2c(-c3ccccc3)cc(-c3ccccc3)cc2-n2c3ccccc3c3ccccc32)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cc(-n3c4ccccc4c4ccccc43)c(-c3ccccc3)cc2-c2ccccc2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)c2-c2ccccc2)nc1-c1ccccc1", "similarity": 0.4870229007633588}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc4c5c6c(-c7ccccc7)nc7ccccc7c6ccc5n(-c5ccccc5)c4c3)n2)cc1", "similarity": 0.3148148148148148}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1", "similarity": 0.532399299474606}, {"SMILES": "N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c(-c3ccccc3)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)ccc2-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)nc1-c1ccccc1", "similarity": 0.5334302325581395}, {"SMILES": "N#Cc1cc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7C#N)ccc65)c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)n3)c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1", "similarity": 0.5929203539823009}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5cccc6ccccc56)c5ccccc5n4)c23)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)c32)cc1", "similarity": 0.5132867132867133}, {"SMILES": "[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc2n3-c2ccc(-c3cccc(-c4ccc(-n5c6ccc(-c7c(C#N)cc([N+]#[C-])cc7C#N)cc6c6cc(-c7c(C#N)cc(C#N)cc7[N+]#[C-])ccc65)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C#N)c1.[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7c(C#N)cc([N+]#[C-])cc7C#N)ccc65)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C#N)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc([N+]#[C-])cc([N+]#[C-])c4)ccc2n3-c2ccc(-c3cccc(-c4ccc(-n5c6ccc(-c7cc(C#N)cc([N+]#[C-])c7)cc6c6cc(-c7cc([N+]#[C-])cc([N+]#[C-])c7)ccc65)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc76)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1", "similarity": 0.2897959183673469}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c2)cc1", "similarity": 0.5483870967741935}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5c6c(ccc7c6c6ccccc6n7-c6ccccc6)c6ccccc6n45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5c6c(ccc7c8ccccc8n(-c8ccccc8)c76)c6ccccc6n45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5c6cc7c8ccccc8n(-c8ccccc8)c7cc6c6ccccc6n45)cc3)n2)cc1", "similarity": 0.5513196480938416}, {"SMILES": "c1cc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc(-c2ccccc2-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1", "similarity": 0.3613138686131387}, {"SMILES": "c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)c(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)n4)c3)n2)cc1", "similarity": 0.49934810951760106}, {"SMILES": 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"C1=Cc2c(n(-c3ccccc3)c3c(-c4cccc(-c5nc(-c6cccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)c6)nc(-c6cccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)c6)n5)c4)cccc23)CC1", "similarity": 0.5434782608695652}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccc8c9ccccc9c9ccccc9c8c7)c6cc54)n3)c2)cc1", "similarity": 0.6192468619246861}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccc(-c9nc(-c%10ccccc%10)cc(-c%10ccccc%10)n9)cc8)c7c6)cc54)cc3)n2)cc1", "similarity": 0.6804979253112033}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1", "similarity": 0.68}, {"SMILES": "C1=Cc2c(n(-c3ccccc3)c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c23)CC1", "similarity": 0.6401869158878505}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc1", "similarity": 0.5962264150943396}, {"SMILES": "c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6cc7ccccc7c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)n5)ccc43)ccc12", "similarity": 0.4620938628158845}, {"SMILES": "c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)cccc2c1", "similarity": 0.4734982332155477}, {"SMILES": "c1ccc(-c2ccc(-c3cccc(-c4nc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7ccc8ccccc8c7)cc65)nc5ccccc45)c3)cc2)cc1", "similarity": 0.5584415584415584}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c(c3)c3cnccc3n4-c3ccccc3)nc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)n2)cc1", "similarity": 0.6153846153846154}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c(c3)c3cnccc3n4-c3ccccc3)nc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)n2)cc1", "similarity": 0.6561085972850679}, {"SMILES": "C=C1C=CC2=C1C(C)(C)c1cccc3c4cc(-c5cccc(-c6nc(C7=CC=CCC7)nc(-c7ccccc7)n6)c5)ccc4n2c13", "similarity": 0.40707964601769914}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8cccnc8n(-c8ccccc8)c7c6)ccc54)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6956521739130435}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4ccccc4c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc2)cc1", "similarity": 0.6398305084745762}, {"SMILES": "C=CC(=NC(=NC(=C)c1ccc(-c2ccc3c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4n(-c4ccccc4)c3c2)cc1)c1ccccc1)c1ccccc1", "similarity": 0.6302521008403361}, {"SMILES": "c1cc2ccc3cc(-c4nc(-c5cc6ccc7cccc8ccc(c5)c6c78)nc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7nc(-c8cc9ccc%10cccc%11ccc(c8)c9c%10%11)nc(-c8cc9ccc%10cccc%11ccc(c8)c9c%10%11)n7)c56)n4)cc4ccc(c1)c2c34", "similarity": 0.36127167630057805}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)n3)c2)cc1", "similarity": 0.6403940886699507}, {"SMILES": "[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc(c13)n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1", "similarity": 0.5084033613445378}, {"SMILES": "FC(F)(F)c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c2)c1", "similarity": 0.49321266968325794}, {"SMILES": "FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc1", "similarity": 0.6919431279620853}, {"SMILES": "Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cccc1-n1c2ccccc2c2ccccc21", "similarity": 0.5778894472361809}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6nc54)n3)c2)cc1", "similarity": 0.6875}, {"SMILES": "c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3ccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)cc3)cc2)nc2ccccc24)cc1", "similarity": 0.5949367088607594}, {"SMILES": "c1ccc(-n2c3ccccc3c3c4c(c5ccccc5c32)c2ccccc2c2c4c3ccccc3n2-c2nc(-c3cccc4ccccc34)nc3ccccc23)cc1", "similarity": 0.46311475409836067}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4C(c4ccccc4)C5)n3)n2)cc1", "similarity": 0.7142857142857143}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1", "similarity": 0.524390243902439}, {"SMILES": "C=C1C=CC=CCN(C2(C)C=CC=CC2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nccc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc21", "similarity": 0.5106382978723404}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7cccc8c9ccccc9n6c5c78)ccc43)nc(-c3ccccc3)n2)cc1", "similarity": 0.5753424657534246}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)c(-c6ccccc6)c5)n4)cc3-n3c4ccccc4c4ccccc43)c2)cc1", "similarity": 0.6609442060085837}, {"SMILES": "c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1", "similarity": 0.6485148514851485}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4cccc5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc6c45)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.7023255813953488}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6ccccc6cc54)c3)n2)cc1", "similarity": 0.5773195876288659}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)cc3)c2)cc1", "similarity": 0.6609442060085837}, {"SMILES": "Cc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc32)cc1", "similarity": 0.680952380952381}, {"SMILES": "c1ccc(-c2ncc(-c3ccc(-n4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)cn2)cc1", "similarity": 0.5476190476190477}, {"SMILES": "C1=CCC(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)C=C1", "similarity": 0.4383561643835616}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)n3)cc2)cc1", "similarity": 0.6492890995260664}, {"SMILES": "CC1(C)c2ccccc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)n4)cc3c3cc(-c4ccccc4)cc1c32", "similarity": 0.6347826086956522}, {"SMILES": "c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc56)nc5ccccc45)cc32)cc1", "similarity": 0.5064377682403434}, {"SMILES": "C1=CC2c3ccccc3N(c3ccccc3)C2C=C1c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6556603773584906}, {"SMILES": "N#Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)c1", "similarity": 0.6108597285067874}, {"SMILES": "C1=Cc2c(n(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c3ccccc23)CN1", "similarity": 0.5445544554455446}, {"SMILES": "Cc1nc(-c2ccccc2)cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)n1", "similarity": 0.517948717948718}, {"SMILES": "CC1(C)c2ccccc2N(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)c2cc3c(cc21)c1ccccc1n3-c1ccccc1", "similarity": 0.5469387755102041}, {"SMILES": "CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C2Cc3ccccc3-c3cc(-c4cccc(-c5cc6c7c(c5)c5ccccc5n7-c5ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc5C6(C)C)c4)cc1c32", "similarity": 0.5770609318996416}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3cc21", "similarity": 0.5610687022900763}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c(c3)c3cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6956521739130435}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1", "similarity": 0.6794258373205742}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1", "similarity": 0.5874439461883408}, {"SMILES": "c1ccc(-c2ccc(-c3cc4cc5c(cc(-c6ccc(-c7ccccc7)cc6)n5-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4n3-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1", "similarity": 0.5591397849462365}, {"SMILES": "c1ccc(-c2ccc(-c3ccc4c5ccccc5n(-c5cc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4c3)cc2)cc1", "similarity": 0.65}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)c4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7038834951456311}, {"SMILES": "Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-n3c4c(C)cc(C)cc4c4cc(C)cc(C)c43)n2)cc1", "similarity": 0.2687224669603524}, {"SMILES": "Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)ccc32)cc1", "similarity": 0.5876777251184834}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)ccc43)c2)cc1", "similarity": 0.7038834951456311}, {"SMILES": "c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4c5ccccc5ccc43)c3ccccc3n2)cc1", "similarity": 0.3867924528301887}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6ccccc6c54)cc3)nc3ccccc23)cc1", "similarity": 0.49333333333333335}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)c5ccc7c8ccccc8c(-c8ccccc8)nc7c5n6-c5ccccc5)cc4)nc4ccccc34)cc2)cc1", "similarity": 0.6266666666666667}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3nc(-c4ccccc4)cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)n2)cc1", "similarity": 0.6547085201793722}, {"SMILES": "CC(C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)cc32)cc1", "similarity": 0.5475113122171946}, {"SMILES": "c1ccc(-c2cc3c(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)nc3c3ccccc23)cc1", "similarity": 0.4423076923076923}, {"SMILES": "c1ccc(-c2nc(-c3cccc4ccccc34)c(-c3ccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)c(-c3cccc4ccccc34)n2)cc1", "similarity": 0.5491803278688525}, {"SMILES": "C1=C(c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)n2)C=C2c3ccccc3N(c3ccccc3)C2C1", "similarity": 0.7162790697674418}, {"SMILES": "c1ccc(-c2ccc(-n3c4cccc5c4c4c(c6c(cc43)c3ccccc3n6-c3cccc(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c3)CC5)cc2)cc1", "similarity": 0.6451612903225806}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c5c6cccc7c8ccccc8c8cccc(c5c4-c4ccccc4)c8c76)cc3)n2)cc1", "similarity": 0.5249169435215947}, {"SMILES": "Fc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(F)c1", "similarity": 0.7129629629629629}, {"SMILES": "CC1C=Cc2c(n(-c3cccc(-c4nc(-c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)c3)c3ccccc23)C1", "similarity": 0.6218487394957983}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)n2)cc1", "similarity": 0.6121495327102804}, {"SMILES": "FC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c2)c1", "similarity": 0.6145038167938931}, {"SMILES": "CCC1(CC)c2ccccc2-n2c3ccccc3c3cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)cc1c32", "similarity": 0.6179245283018868}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n6c7ccccc7cc6c5ccc43)n2)cc1", "similarity": 0.5}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4c3ccc3c5ccccc5c5cc6ccccc6n5c34)nc(-c3ccccc3)n2)cc1", "similarity": 0.5070422535211268}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-n4c5ccccc5c5c6c(c7ccccc7n6-c6ccccc6)c6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1", "similarity": 0.6049382716049383}, {"SMILES": "c1ccc(-c2ccc(-c3cccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9ccccc9ccc87)cccc56)nc5ccccc45)c3)cc2)cc1", "similarity": 0.5254237288135594}, {"SMILES": "c1ccc(-c2ccc(-c3cccc(-c4nc(-c5cccc6cc(-n7c8ccc9ccccc9c8c8c9ccccc9ccc87)ccc56)nc5ccccc45)c3)cc2)cc1", "similarity": 0.5384615384615384}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6ccc7c8ccccc8c(-c8ccccc8)cc7c6ccc54)c3)n2)cc1", "similarity": 0.6650717703349283}, {"SMILES": "C1=CN(c2ccccc2)c2cccc3cc4c(c1c23)c1ccccc1n4-c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1", "similarity": 0.5781990521327014}, {"SMILES": "C=Cc1cccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1", "similarity": 0.5504587155963303}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7cccc8ccccc78)c6c6ccccc56)ccc43)nc3ccccc23)cc1", "similarity": 0.5064377682403434}, {"SMILES": "Clc1nc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c2ccccc2n1", "similarity": 0.460093896713615}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)cc3)n2)cc1", "similarity": 0.7313432835820896}, {"SMILES": "Fc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1F", "similarity": 0.6121673003802282}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)cc3)ccc2-c2ccccc2)cc1", "similarity": 0.72}, {"SMILES": "Cc1ccccc1-c1c(C)cccc1-c1ccc2c(c1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccccc1", "similarity": 0.6292682926829268}, {"SMILES": "CC=Cc1c(CC)n(Cc2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc12", "similarity": 0.4434389140271493}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1", "similarity": 0.7162790697674418}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1", "similarity": 0.5857142857142857}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1", "similarity": 0.6336633663366337}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc5c6ccccc6n(-c6ccccc6)c45)c3)c2)cc1", "similarity": 0.6338028169014085}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)c2)cc1", "similarity": 0.6415094339622641}, {"SMILES": "c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)ccc43)c2)cc1", "similarity": 0.5889830508474576}, {"SMILES": "c1ccc(-c2nc(-c3ccc(C4(c5ccccc5)c5ccccc5C5(c6ccccc6)c6ccccc6-c6cccc4c65)cc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1", "similarity": 0.6182572614107884}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.6619718309859155}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)n5-c5ccccc5)ccc43)n2)cc1", "similarity": 0.6486486486486487}, {"SMILES": "Cc1nc(C)nc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6cccc7ccccc67)cc5)c4cc32)n1", "similarity": 0.39732142857142855}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)cc3)c3ccccc3n2)cc1", "similarity": 0.5071090047393365}, {"SMILES": "CC.CCC.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1", "similarity": 0.5058823529411764}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc2n3-c2ccc3c4ccccc4c4ccccc4c3c2)cc1", "similarity": 0.7264150943396226}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4cc(-c6ccc7c8ccccc8c8ccccc8c7c6)ccc4n5-c4ccccc4)c3)n2)cc1", "similarity": 0.7345971563981043}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-n6c7ccccc7c7ccccc76)cc5)CCCCC4)cc3)n2)cc1", "similarity": 0.5348837209302325}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc4c5ccccc5n(-c5ccccc5)c34)n2)cc1", "similarity": 0.6103896103896104}, {"SMILES": "CC=CC=Cc1cc2ccccc2n1-c1cc(-n2c3ccccc3c3ccccc32)nc(-c2ccccc2)n1", "similarity": 0.35909090909090907}, {"SMILES": "C1=Cc2c(c3ccccc3n2-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)CC1", "similarity": 0.3686635944700461}, {"SMILES": "C=C1C=CC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=CCc2c(n(-c3nc(-c4ccccc4)c4ccccc4n3)c3ccccc23)C=C1", "similarity": 0.4890829694323144}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7323943661971831}, {"SMILES": "CC=C(C)c1nc(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4c5cc(-c6ccc7ccc(-c8ccccc8)cc7c6)ccc5ccc43)cc2)n1", "similarity": 0.5871559633027523}, {"SMILES": "c1ccc(-c2ccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c6ccccc6n(-c6ccccc6)c5n4)c3)cc2)cc1", "similarity": 0.65}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)nc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)n6)c5)c4)c3)c2)cc1", "similarity": 0.608}, {"SMILES": "CC1C=CC=CC1c1ccc2c3ccccc3n(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1", "similarity": 0.4028436018957346}, {"SMILES": "C1=C(c2ccc3c4ccccc4n(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)c3c2)C=C(c2ccccc2)CC1", "similarity": 0.697560975609756}, {"SMILES": "C1=CC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)=CC(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)=CC1", "similarity": 0.5365853658536586}, {"SMILES": "c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(n6-c6ccccc6)CCCC5)ccc43)n2)cc1", "similarity": 0.6049382716049383}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)nc3ccccc23)cc1", "similarity": 0.5566037735849056}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c([N+]#[C-])c2)c1", "similarity": 0.5401785714285714}, {"SMILES": "CC1(C)c2ccccc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(c32)C1(C)C", "similarity": 0.4597156398104265}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C(F)(F)F)cc2)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.5068493150684932}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)n2)cc1", "similarity": 0.5388349514563107}, {"SMILES": "OB(O)c1cccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c12", "similarity": 0.505}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1", "similarity": 0.5619469026548672}, {"SMILES": "c1ccc(-n2c3ccccc3c3c4c5ccccc5c(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4c4ccccc4c32)cc1", "similarity": 0.5063829787234042}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)n3)cc2)cc1", "similarity": 0.6842105263157895}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.6136363636363636}, {"SMILES": "c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc4cc(-n5c6ccccc6c6cc7c8c9ccccc9ccc8n(-c8ccccc8)c7cc65)ccc34)n2)cc1", "similarity": 0.5905172413793104}, {"SMILES": "c1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)c7c(n6)c6ccccc6n7-c6ccccc6)c5)c4)c3)cc2)cc1", "similarity": 0.620253164556962}, {"SMILES": "CC1(C)c2cc(-c3ccccc3)ccc2N(c2ccccc2)c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21", "similarity": 0.6037735849056604}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c5ccccc5n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c34)n2)cc1", "similarity": 0.603448275862069}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccc9ccccc9c8)c8ccccc8n7)c6ccc54)cc3)n2)cc1", "similarity": 0.6304347826086957}, {"SMILES": "Cn1c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21", "similarity": 0.5755102040816327}, {"SMILES": "c1ccc2ncc(-c3ccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(-c5c6ccccc6cc6ccccc56)n4)cc3)cc2c1", "similarity": 0.6036866359447005}, {"SMILES": "N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)c(C#N)c2)cc1", "similarity": 0.5673469387755102}, {"SMILES": "Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.6038647342995169}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccccn3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7058823529411765}, {"SMILES": "N#Cc1cccc(-c2nc(-c3ccccc3)cc(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)n2)c1", "similarity": 0.6042553191489362}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c45)cc3)cc21", "similarity": 0.5674418604651162}, {"SMILES": "Cc1ccccc1-c1cc(-c2cc(C)c(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)c(C)c2)nc(-c2ccccc2C)n1", "similarity": 0.49583333333333335}, {"SMILES": "FC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1", "similarity": 0.7219730941704036}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1", "similarity": 0.6489795918367347}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc7c8c9ccccc9ccc8n(-c8ccccc8)c7cc65)c5ccccc45)n3)cc2)cc1", "similarity": 0.6307053941908713}, {"SMILES": "[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc([N+]#[C-])cc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c(C#N)c4)cc3)cc2)cc1", "similarity": 0.5161290322580645}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5ccccn5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.4895397489539749}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(-c3ccccn3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1", "similarity": 0.5213675213675214}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5c3n4-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1", "similarity": 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"c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3)cc2)cc1", "similarity": 0.7488151658767772}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4)cc3)n2)cc1", "similarity": 0.729064039408867}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1", "similarity": 0.6666666666666666}, {"SMILES": "c1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4ccc(N(c5ccccc5)c5ccccc5)cc43)nc3ccccc23)cc1", "similarity": 0.591304347826087}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5c6cc(-n7c8ccccc8c8ccc9ccccc9c87)ccc6ccc54)nc4ccccc34)c2)cc1", "similarity": 0.5327510917030568}, {"SMILES": "CCC12C=CC=CC1C1=CCCC=C1n1c2cc2ccc3c(c4cc#ccc4n3-c3cccc(-c4cccc(-c5nc(-c6cc#ccc6)nc(-c6ccccc6)n5)c4)c3)c21", "similarity": 0.40310077519379844}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5ccccc5)c4cc3-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.6086956521739131}, {"SMILES": "c1ccc(-c2nc(-c3ccc4c5ccc(-c6ccc(-c7ccccc7N(c7ccc8ccccc8c7)c7cccc8ccccc78)cc6)cc5n(-c5ccccc5)c4c3)nc3ccccc23)cc1", "similarity": 0.5542168674698795}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5ccc43)cc2)cc1", "similarity": 0.693069306930693}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)n3)cc2)cc1", "similarity": 0.6582914572864321}, {"SMILES": "c1ccc(-c2ccc3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3c2)cc1", "similarity": 0.5409090909090909}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccccc6-c6ccccc6)c5)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc21", "similarity": 0.5951417004048583}, {"SMILES": "C=CC=CC=CCc1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3cc(-n4c5c(c6ccccc64)CCC=C5)cc(-n4c5c(c6ccccc64)C=CCC5)c3)n2)c1", "similarity": 0.44921875}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)c4)cc3)n2)cc1", "similarity": 0.6551724137931034}, {"SMILES": "Fc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.6863636363636364}, {"SMILES": "Fc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc1n2-c1ccccc1", "similarity": 0.6940639269406392}, {"SMILES": "CC1(C)c2ccccc2N(C2=CCCC=C2)c2ccc(-c3cccc4c3c3c5ccccc5ccc3n4-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)cc21", "similarity": 0.46184738955823296}, {"SMILES": "C1=CCC(c2nc(-c3ccccc3)nc(-c3cccc(C4=CCCc5c4c4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cc4c4ccccc54)c3)n2)C=C1", "similarity": 0.5555555555555556}, {"SMILES": "C1=Cc2ccc(-n3c4ccccc4c4cc(-c5cccc6c7ccccc7c7ccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c56)ccc43)cc2C=CC1", "similarity": 0.5991189427312775}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7c7ccccc7c65)cc4)n3)cc2)cc1", "similarity": 0.6415094339622641}, {"SMILES": "CCc1ccccc1-c1c(CC)ccc2c3cc(-c4ccccc4)ccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12", "similarity": 0.5117370892018779}, {"SMILES": "OB(O)c1cccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c12", "similarity": 0.505}, {"SMILES": "CC1(C)c2ccccc2-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c21", "similarity": 0.6985645933014354}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2nc(-c3ccccc3)nc(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)n2)c(C)c1", "similarity": 0.41155234657039713}, {"SMILES": "O=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6028708133971292}, {"SMILES": "C1=Cc2c(c(-c3cc4c5ccccc5n(-c5ccccc5)c4c4ccccc34)cc3c4ccccc4n(-c4nc(-c5cccc6ccccc56)c5ccccc5n4)c23)CC1", "similarity": 0.44621513944223107}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c4cc5ccccc5cc43)n2)cc1", "similarity": 0.6428571428571429}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5c6ccccc6c(-c6cc7c(c8ccccc68)c6ccccc6n7-c6ccccc6)cc54)nc4ccccc34)c2)cc1", "similarity": 0.5504201680672269}, {"SMILES": "C(C=Cc1cc2c3ccccc3n(-c3ccccc3)c2c2ccccc12)=Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)c2ccccc2n1", "similarity": 0.5122950819672131}, {"SMILES": "CC=CC(=CC)c1cccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c(n2)[Si](C)(C)c2ccccc2-3)c1", "similarity": 0.4088888888888889}, {"SMILES": "c1ccc(-c2ccc3c(ccc4c3c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)c2)cc1", "similarity": 0.4492753623188406}, {"SMILES": "C(=C(c1ccccc1)c1cc2c3ccccc3n(-c3nc(-c4cccc(-c5ccccc5)c4)c4ccccc4n3)c2c2ccccc12)c1cc2ccccc2n1-c1ccccc1", "similarity": 0.5504201680672269}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc6ccc7ccccc7c56)cc4)ccc32)cc1", "similarity": 0.5702127659574469}, {"SMILES": "[C-]#[N+]c1ccc(N(c2ccc([N+]#[C-])cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c(C#N)c3)cc2)cc1", "similarity": 0.5802469135802469}, {"SMILES": "Cc1ccc(-c2cc(-c3c(C)cc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3C)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.49624060150375937}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5ccccc5)c4cc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1", "similarity": 0.6173913043478261}, {"SMILES": "c1ccc(-c2cc(-c3cccc4c3c3ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6173913043478261}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3n2)cc1", "similarity": 0.5692307692307692}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc21", "similarity": 0.6519607843137255}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc21", "similarity": 0.6588785046728972}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)n3)cc21", "similarity": 0.6439024390243903}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)n3)cc2)nc1", "similarity": 0.6018099547511312}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)n4)c3)c2)cc1", "similarity": 0.5}, {"SMILES": "CC1C=CC(n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5cc(-c6cccc(F)c6)nc(-c6ccccc6)n5)c4)c32)=CC1", "similarity": 0.49777777777777776}, {"SMILES": "N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21", "similarity": 0.6256410256410256}, {"SMILES": "[C-]#[N+]c1ccccc1-c1cc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc3C#N)cc2)nc(-c2ccccc2[N+]#[C-])n1", "similarity": 0.5}, {"SMILES": "C1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4c3)cc2)CC1", "similarity": 0.5906976744186047}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5cc(-c6ccccc6)cc(-n6c7ccccc7c7ccccc76)c5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc21", "similarity": 0.6504424778761062}, {"SMILES": "[C-]#[N+]c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1", "similarity": 0.5964125560538116}, {"SMILES": "[C-]#[N+]c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1", "similarity": 0.6108597285067874}, {"SMILES": "C=Cc1ccc(-c2ccc3c(c2)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2ccc(C)cc2)cc1", "similarity": 0.5714285714285714}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc6c7ccccc7c7cc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)ccc7c56)cc43)cc2)cc1", "similarity": 0.7142857142857143}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4N(c4ccccc4)c4ccccc4-6)cc3)n2)cc1", "similarity": 0.6401869158878505}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccc(F)cc5c5cc(F)ccc54)n3)cc2)cc1", "similarity": 0.4225352112676056}, {"SMILES": "CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(C4=CC(c5ccccc5)CC(c5ccccc5)=C4)cc3c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc1c32", "similarity": 0.5791505791505791}, {"SMILES": "Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc(C)c1-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.5665399239543726}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1", "similarity": 0.6875}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cccc43)n2)cc1", "similarity": 0.6401869158878505}, {"SMILES": "Fc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c2)cc1", "similarity": 0.5217391304347826}, {"SMILES": "Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-c4ccccc4F)c3)c2c1", "similarity": 0.568075117370892}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccccc1F", "similarity": 0.4690265486725664}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc65)ccc43)cc2)cc1", "similarity": 0.6317991631799164}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c4ccccc43)n2)cc1", "similarity": 0.6387665198237885}, {"SMILES": "Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5c(C)cc(-n6c7ccc(N(c8ccccc8)c8ccccc8)cc7c7cc(N(c8ccccc8)c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccc%11c(c%10)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10n%11-c%10ccc(-c%11c(C)cc(-c%12ccc(-c%13cc(-c%14ccc(C)cc%14)nc(-c%14ccc(C)cc%14)n%13)cc%12)cc%11C)cc%10)cc9)cc8)ccc76)cc5C)cc4)cc3)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.31376518218623484}, {"SMILES": "c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1", "similarity": 0.6698113207547169}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(C)ccc43)ccc1n2-c1ccc(-c2cc(-c3ccccc3C)nc(-c3ccccc3C)n2)cc1", "similarity": 0.46153846153846156}, {"SMILES": "C1=CC(c2ccc(-n3c4ccccc4c4cc(-c5ccc(-n6c7ccccc7c7c(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)cccc76)cc5)ccc43)cc2)=CCC1", "similarity": 0.6609442060085837}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)n3)c2)cc1", "similarity": 0.6956521739130435}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1", "similarity": 0.7038834951456311}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1", "similarity": 0.5757575757575758}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c5c(ccc6c7ccccc7n(-c7ccccc7)c65)n(-c5ccc6c(c5)c5c(ccc7c8ccccc8n(-c8ccccc8)c75)n6-c5ccccc5)c4c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5451127819548872}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6923076923076923}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7c(n6)c6ccccc6n7-c6ccccc6)c5)c4)cc3)n2)cc1", "similarity": 0.8029556650246306}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(C5CC5)ccc43)n2)cc1", "similarity": 0.42}, {"SMILES": "CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3cccc(-c4cccc5c4c4c6ccccc6ccc4n5-c4nc(-c5ccccc5)c5ccccc5n4)c3)ccc21", "similarity": 0.5358649789029536}, {"SMILES": "c1cc(-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c1", "similarity": 0.5166051660516605}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5ccc43)c2)cc1", "similarity": 0.7242990654205608}, {"SMILES": "CCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.3852813852813853}, {"SMILES": "Cc1ccc2cc(-c3nc(-c4ccc5cc(C)ccc5c4)nc(-n4c5ccc(C)cc5c5cc(C(C)(C)C)ccc54)n3)ccc2c1", "similarity": 0.3235294117647059}, {"SMILES": "c1ccc(-c2ccc(-n3c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc4c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc43)cc2)cc1", "similarity": 0.6890756302521008}, {"SMILES": "Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-n4c5cc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)ccc5c5ccc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc54)cc3)n2)cc1", "similarity": 0.5430711610486891}, {"SMILES": "[C-]#[N+]c1ccc(-c2nc(-c3ccc(C#N)cc3)nc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc43)n2)cc1", "similarity": 0.5503875968992248}, {"SMILES": "Cn1c2c(-c3ccccc3-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(-c3ccccc3-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c21", "similarity": 0.3838120104438642}, {"SMILES": "c1ccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)nc(-c3ccccc3)n2)cc1", "similarity": 0.7253218884120172}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)nc(-n4c5cccc6ccc7cccc4c7c65)n3)n2)cc1", "similarity": 0.5945945945945946}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)nc(-n4c5cccc6ccc7cccc4c7c65)n3)c2)cc1", "similarity": 0.5874439461883408}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7048458149779736}, {"SMILES": "CCCc1c2c3ccccc3n(-c3cccc(C)n3)c2c(CCC)c2c1c1ccccc1n2-c1cccc(C)n1", "similarity": 0.25630252100840334}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6)nc(-c6ccccc6-c6cccc(-c7ccccc7)c6)n5)cc4)c3)c2)cc1", "similarity": 0.6341463414634146}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)nc(-c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6)n5)cc4)c3)c2)cc1", "similarity": 0.5909090909090909}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4ccc(-c5nc(C)nc(C)n5)c([N+]#[C-])c4)c3c2)c1", "similarity": 0.30962343096234307}, {"SMILES": "[C-]#[N+]c1cc(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.43983402489626555}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)cc1", "similarity": 0.6538461538461539}, {"SMILES": "Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1", "similarity": 0.6141078838174274}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5c6ccccc6c6c(c5n(-c5ccccc5)c4c3)Cc3ccccc3-c3ccccc3Cc3ccccc3-6)n2)cc1", "similarity": 0.5775862068965517}, {"SMILES": "C1=Cc2ccc3c(c2N(c2nc(-c4ccccc4)cc(-c4ccccc4)n2)c2ccccc21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1", "similarity": 0.59375}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc3)n2)cc1", "similarity": 0.6182572614107884}, {"SMILES": "c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc(N(c6ccc7ccccc7c6)c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc54)c3)cc2)cc1", "similarity": 0.6883720930232559}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(F)cc3F)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5841121495327103}, {"SMILES": "Cc1ccccc1-c1cc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)nc(-c2ccccc2C)n1", "similarity": 0.5473251028806584}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc(Cl)n2)cc1", "similarity": 0.505}, {"SMILES": "N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccc(C#N)cc6)n5)ccc3n4-c3ccccc3)n2)cc1", "similarity": 0.6574074074074074}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5n4)cc3)c2)cc1", "similarity": 0.47151898734177217}, {"SMILES": "Cc1cc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)c(C)cc1-c1ccc(-c2cc(-c3ccccc3C)nc(-c3ccccc3C)n2)cc1", "similarity": 0.475177304964539}, {"SMILES": "[C-]#[N+]c1cc([N+]#[C-])cc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(C)nc(C)n5)c([N+]#[C-])c4)c3c2)c1", "similarity": 0.27155172413793105}, {"SMILES": "Fc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccccc5)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)n2)c1", "similarity": 0.5581395348837209}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6cc7c8ccccc8c8ccccc8c7cc6c6cc7c8ccccc8c8ccccc8c7cc65)c4)n3)c2)cc1", "similarity": 0.5102739726027398}, {"SMILES": "N#Cc1ccccc1-c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.5892857142857143}, {"SMILES": "N#Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c2)c1", "similarity": 0.6572769953051644}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(ccc6c5c5ccccc5n6-c5ccc6ccccc6c5)c4)c3)n2)cc1", "similarity": 0.6470588235294118}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8ccc7c7ccccc7c65)cc4)n3)c2)cc1", "similarity": 0.6650717703349283}, {"SMILES": "C1=CN(c2ccccc2)c2cccc3cc4c(c1c23)c1ccccc1n4-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.5781990521327014}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)c4cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c4n5-c4ccccc4)c3)cc21", "similarity": 0.6588785046728972}, {"SMILES": "CC1(C)c2ccccc2-c2c(-c3cccc(-c4ccc5c(c4)c4cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c4n5-c4ccccc4)c3)cccc21", "similarity": 0.6435185185185185}, {"SMILES": "CC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)c3c(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)cccc3n4-c3ccccc3)c21", "similarity": 0.6511627906976745}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)c5)nc(-c5cccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)c5)n4)c3)c2)cc1", "similarity": 0.5141065830721003}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccn3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1", "similarity": 0.6582914572864321}, {"SMILES": "c1ccc(-c2ccc(-c3ccc4nc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c4c3)cc2)cc1", "similarity": 0.6604651162790698}, {"SMILES": "CC1C=C(n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(C)C)C=CC1c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.4330357142857143}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1", "similarity": 0.6325581395348837}, {"SMILES": "N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.5412371134020618}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5cccc6c5n(c4c3)-c3ccccc3-c3ccccc3-6)n2)cc1", "similarity": 0.5219512195121951}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)n2)cc1", "similarity": 0.6714285714285714}, {"SMILES": "Cc1c(C)n(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccccc12", "similarity": 0.5353535353535354}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1", "similarity": 0.46808510638297873}, {"SMILES": "CC1c2c(c3ccccc3n2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)CCN1C", "similarity": 0.4396135265700483}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c(-c5ccccc5)c(-c5c(-c6ccccc6)n(-c6ccccc6)c6ccccc56)c5ccccc54)cc3)n2)cc1", "similarity": 0.6805555555555556}, {"SMILES": "Cc1ccc2c(c1)c1cc3c4ccccc4n(-c4ccccc4)c3cc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5388349514563107}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2c4ccccc4c(-c4ccccc4)cc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.62}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccc(-c6ccc(-c7ccccc7)c7ccccc67)cc5ccc43)n2)cc1", "similarity": 0.5849056603773585}, {"SMILES": "C1=Cc2ccc3c(c2CC1)c1c2ccccc2ccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)c1", "similarity": 0.600896860986547}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6c(c7ccccc75)CCCC6)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1", "similarity": 0.5639810426540285}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6cnccc65)c4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.6}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5c5cccc(-c7ccc8c9ccccc9n(-c9ccc%10ccccc%10c9)c8c7)c56)c4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.6296296296296297}, {"SMILES": "CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)n2)cc(C(C)(C)C)c1", "similarity": 0.5461538461538461}, {"SMILES": "CC1(C)c2cc3c(cc2CC(c2ccccc2)c2ccccc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.4908256880733945}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)n2)cc1", "similarity": 0.7083333333333334}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)cc(-c3cccc4ccccc34)n2)cc1", "similarity": 0.6208530805687204}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1", "similarity": 0.7123893805309734}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cccc43)c2)cc1", "similarity": 0.6875}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5cc(-c6cccc7ccccc67)ccc5ccc43)n2)cc1", "similarity": 0.5288461538461539}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5cc(-c6ccc(-c7ccccc7)c7ccccc67)ccc5ccc43)n2)cc1", "similarity": 0.5924170616113744}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccn2)cc1", "similarity": 0.7227722772277227}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c5)nc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)n4)c3)c2)cc1", "similarity": 0.5097402597402597}, {"SMILES": "[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.6982758620689655}, {"SMILES": "Cc1cccc(-c2cc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccc(C)cc7c7cc(C)ccc76)ccc54)cc3)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.4728682170542636}, {"SMILES": "Cc1cccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8cc(C)ccc87)cc6c6cc(-n7c8ccccc8c8cc(C)ccc87)ccc65)cc4)cc3)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.49063670411985016}, {"SMILES": "Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1-c1ccc(-c2cc(-c3ccccc3C)nc(-c3ccccc3C)n2)cc1", "similarity": 0.49433962264150944}, {"SMILES": "Cc1ccc(-c2cc(-c3c(C)cc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)cc3C)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.475177304964539}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(C)ccc43)ccc1n2-c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c(C)c3)cc2)cc1", "similarity": 0.5276752767527675}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3[N+]#[C-])cc2)cc1", "similarity": 0.5107142857142857}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1", "similarity": 0.5090252707581228}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc43)c2)cc1", "similarity": 0.7123893805309734}, {"SMILES": "CC1(C)c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2-c2cccc3cccc1c23", "similarity": 0.4423963133640553}, {"SMILES": "CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3ccccc3-c3cc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4cc32)cc1", "similarity": 0.4448818897637795}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4cccc5ccc6c(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)ccc3c6c54)c2)cc1", "similarity": 0.6741071428571429}, {"SMILES": "FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.6052631578947368}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1", "similarity": 0.5888501742160279}, {"SMILES": "c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)n6)c45)n3)cccc2c1", "similarity": 0.4509090909090909}, {"SMILES": "O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1cc(P(=O)(c3ccccc3)c3ccccc3)ccc1n2-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1", "similarity": 0.5697211155378487}, {"SMILES": "C1=CC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Cc3c(-c5ccccc5)ccc5c6ccc(-c7ccccc7)cc6n-4c35)n2)=CCC1", "similarity": 0.5067873303167421}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.6636363636363637}, {"SMILES": "Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc1", "similarity": 0.7168141592920354}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1", "similarity": 0.7402597402597403}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4c3)n2)cc1", "similarity": 0.6325581395348837}, {"SMILES": "FC(F)(F)c1ccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.6604651162790698}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7864077669902912}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-n6c7ccccc7c7cc8c9cc%10ccccc%10cc9n(-c9ccccc9)c8cc76)ccc5c4)n3)cc2)cc1", "similarity": 0.6741071428571429}, {"SMILES": "FC(F)(F)c1ccc2c3ccc(C(F)(F)F)cc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1", "similarity": 0.5708154506437768}, {"SMILES": "N#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.5658914728682171}, {"SMILES": "Fc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)c2)c(F)c1", "similarity": 0.42735042735042733}, {"SMILES": "N#Cc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)n3)c2)cc1", "similarity": 0.6262135922330098}, {"SMILES": "Cc1cccc(-c2cc(-c3cc(C)c(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)cc4)cc3C)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.5708333333333333}, {"SMILES": "CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)n2)cc(C(C)(C)C)c1", "similarity": 0.35398230088495575}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5cc6ccccc6cc5c5c6ccccc6ccc54)c4ccccc34)c3ccccc3n2)cc1", "similarity": 0.44642857142857145}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccn2)cc1", "similarity": 0.7227722772277227}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccncc2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.4835680751173709}, {"SMILES": "c1ccc(-c2cn(-c3cccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ncccn7)cc6)cc5)cc4)c3)c3ccccc23)cc1", "similarity": 0.5}, {"SMILES": "C1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc23)CC1", "similarity": 0.6556603773584906}, {"SMILES": "Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1", "similarity": 0.6008583690987125}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4c4ccccc43)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6463414634146342}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-c3ccccc3)c3ccc4ccccc4c3n2)cc1", "similarity": 0.5247933884297521}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c(c3)c3ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6533333333333333}, {"SMILES": "Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1", "similarity": 0.5806451612903226}, {"SMILES": "c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc3)cc2)nc2ccccc24)cc1", "similarity": 0.5815899581589958}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)c3ccc4ccccc4c3n2)cc1", "similarity": 0.5339366515837104}, {"SMILES": "Cc1ccc(-c2cc(-c3ccc(-c4cc(C)c(-c5ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)cc4C)cc3)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.551440329218107}, {"SMILES": "Cc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc(C)c1-c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.6801801801801802}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6ccccc56)c5ccccc5c43)nc3ccccc23)cc1", "similarity": 0.5439330543933054}, {"SMILES": "c1ccc(-c2nc(-n3c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c5ccccc5cc4c4ccc5ccccc5c43)nc3ccccc23)cc1", "similarity": 0.5125}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6ccccc65)nc5ccccc45)ccc32)cc1", "similarity": 0.46445497630331756}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)nc4ccccc34)c3ccccc23)cc1", "similarity": 0.5247933884297521}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)n3)cc2)cc1", "similarity": 0.5639810426540285}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1", "similarity": 0.7570093457943925}, {"SMILES": "c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1", "similarity": 0.6018099547511312}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1", "similarity": 0.7129629629629629}, {"SMILES": "c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4ccc5ccccc5c43)nc3ccccc23)cc1", "similarity": 0.3611111111111111}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c6ccccc6c6c7ccccc7c7ccccc7c6c5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c3)n2)cc1", "similarity": 0.6282051282051282}, {"SMILES": "Cc1ccc(-c2nc(-n3c4ccccc4c4ccccc43)c3ccccc3n2)cc1", "similarity": 0.3399014778325123}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc21", "similarity": 0.5560975609756098}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccc6ccccc6c5c5cc6ccccc6c(-c6ccc7c8ccccc8c8ccccc8c7c6)c54)nc4ccccc34)cc2)cc1", "similarity": 0.5}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)nc3c2[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1", "similarity": 0.55}, {"SMILES": "Fc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1", "similarity": 0.5091743119266054}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)n5)c4)cccc2n3-c2ccccc2)cc1", "similarity": 0.6398305084745762}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1", "similarity": 0.6956521739130435}, {"SMILES": "CC1(C)c2ccccc2-c2c3c(c4c(c21)c1ccccc1n4-c1ccc(-c2nc(-c4ccccc4)cc(-c4ccccc4)n2)cc1)C(C)(C)c1ccccc1-3", "similarity": 0.5288888888888889}, {"SMILES": "C1=Cc2c(c(-c3ccccc3)cc3c2c2c4ccccc4ccc2n3-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)CC1", "similarity": 0.5700934579439252}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1", "similarity": 0.6875}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)cc2)cc1", "similarity": 0.6403940886699507}, {"SMILES": "N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21", "similarity": 0.6923076923076923}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c2-c2nc(C)nc(C)n2)cc1", "similarity": 0.36395759717314485}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5cc(-c6ccccc6)c6ccccc6c5c5c6ccccc6c(-c6ccccc6)cc54)nc4ccccc34)cc2)cc1", "similarity": 0.5605381165919282}, {"SMILES": "Cc1c(-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)c1C", "similarity": 0.5534883720930233}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(cc3-c3ccc5c(c3)c3ccccc3n5-c3ccccc3)-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1", "similarity": 0.6547085201793722}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)n2)cc1", "similarity": 0.697560975609756}, {"SMILES": "N#Cc1ccc(-c2nc(-c3ccccc3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1-c1ccccc1", "similarity": 0.6173469387755102}, {"SMILES": "N#Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc5c(n4)c4ccccc4n5-c4ccccc4)n3)cc2)cc1", "similarity": 0.5615763546798029}, {"SMILES": "N#Cc1cccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)c1", "similarity": 0.5202020202020202}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)n2)cc1", "similarity": 0.6317991631799164}, {"SMILES": "c1ccc(-c2nc(-n3c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c4c5ccccc5c5cc6ccccc6n5c43)nc3ccccc23)cc1", "similarity": 0.49372384937238495}, {"SMILES": "c1ccc(-c2cccc(-c3ccc4c(c3)c3c5ccccc5c5cc6ccccc6n5c3n4-c3nc(-c4cccc5ccccc45)c4ccccc4n3)c2)cc1", "similarity": 0.5394736842105263}, {"SMILES": "CC1=CC(C)(C)Cc2c1n(-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21", "similarity": 0.6376146788990825}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cccc7ccccc67)cc5)cc43)n2)cc1", "similarity": 0.6575342465753424}, {"SMILES": "C=C(C=CC=CC)C1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21", "similarity": 0.4713656387665198}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2cccc(F)c2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.46255506607929514}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc54)c3)n2)cc1", "similarity": 0.7123893805309734}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)c8c9ccccc9n(-c9ccccc9)c8n7)c6)c5)c4)c3)nc3c2ccc2ccccc23)cc1", "similarity": 0.6182572614107884}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7n6)c5)c4)cc3)n2)cc1", "similarity": 0.8029556650246306}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)c8c9ccccc9n(-c9ccccc9)c8n7)cc6)cc5)cc4)cc3)n2)cc1", "similarity": 0.6768558951965066}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)n4)n3)cc2)cc1", "similarity": 0.7038834951456311}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)n5)c4cc32)cc1", "similarity": 0.600896860986547}, {"SMILES": "Cc1ccc2c(c1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6889952153110048}, {"SMILES": "c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4cc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)ccc4c3)n2)cc1", "similarity": 0.5616438356164384}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc4ccccc4c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5ccccc45)c32)cc1", "similarity": 0.4605263157894737}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1", "similarity": 0.5278810408921933}, {"SMILES": "c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)c1", "similarity": 0.5789473684210527}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5cc6cc7c(cc6c6ccccc56)c5ccccc5n7-c5ccccc5)ccc43)nc3ccccc23)cc1", "similarity": 0.5327510917030568}, {"SMILES": "C1=Cc2c(c3ccccc3n2-c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2)CC1", "similarity": 0.5445544554455446}, {"SMILES": "CC1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5095238095238095}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1", "similarity": 0.7121951219512195}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)c3)c2)cc1", "similarity": 0.5255972696245734}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c4n5-c4ccccc4)cc3)cc21", "similarity": 0.6666666666666666}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.6190476190476191}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6c54)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.684931506849315}, {"SMILES": "CC.Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2cc(-c3cccnc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.5848214285714286}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccccn2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.4835680751173709}, {"SMILES": "Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1", "similarity": 0.6742081447963801}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)cc3)c2)cc1", "similarity": 0.7004608294930875}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.5769230769230769}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccc6ccccc6c5c5cccc(-c6ccccc6)c54)nc4ccccc34)cc2)cc1", "similarity": 0.48598130841121495}, {"SMILES": "c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c5)cc4)c3c2)cc1", "similarity": 0.6538461538461539}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c5)nc(N(c5ccccc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)n4)c3)c2)cc1", "similarity": 0.5296052631578947}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1", "similarity": 0.49034749034749037}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)nc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)cc3)c2)cc1", "similarity": 0.6973684210526315}, {"SMILES": "CC1=CC=CC=[N+](c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)c2cc(-c3ccccc3)ccc21", "similarity": 0.695852534562212}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5888501742160279}, {"SMILES": "N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.6624472573839663}, {"SMILES": "N#Cc1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.6053811659192825}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7142857142857143}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.6540084388185654}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccc5c(c3n4-c3ccccc3)-c3ccccc3N(c3ccccc3)c3ccccc3-5)n2)cc1", "similarity": 0.6325581395348837}, {"SMILES": "C1=CC2CC2(c2cc(-c3ccccc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)C=C1", "similarity": 0.44206008583690987}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c3)n2)cc1", "similarity": 0.509493670886076}, {"SMILES": "Cc1nc(C)nc(-c2ccc(-n3c4cc(-c5cc(C#N)cc(C#N)c5)ccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c(-c3nc(C)nc(C)n3)c2)n1", "similarity": 0.27340823970037453}, {"SMILES": "C=CCC=C(C=C)c1cc(-c2ccccc2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)n1", "similarity": 0.4713656387665198}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4c(-c6ccccc6)ncc(-c6ccccc6)c4n5-c4ccccc4)c3)n2)cc1", "similarity": 0.7058823529411765}, {"SMILES": "C=C(C)c1cc(-c2ccccc2)nc(-c2ccccc2)n1.CC=CCC1(C)c2cc(C=CC)ccc2-n2c3ccccc3c3cccc1c32", "similarity": 0.3829787234042553}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(ccc(-c8ccccc8)c7ccc54)-c4ccccc4-6)c4ccccc34)n2)cc1", "similarity": 0.5874439461883408}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3ccccc3)n2)cc1", "similarity": 0.7038834951456311}, {"SMILES": "N#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.592964824120603}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)c(-n7c8ccccc8c8ccccc87)c6)n5)cc4)c3)c2)cc1", "similarity": 0.6396761133603239}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)nc(-c4ccc(-c5ccccc5)c(-n5c6ccccc6c6ccccc65)c4)n3)c2)cc1", "similarity": 0.6538461538461539}, {"SMILES": "CC(C)(C)c1ccc(-c2cc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1", "similarity": 0.5277777777777778}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)c(-n5c6ccccc6c6ccccc65)c4)n3)c2)cc1", "similarity": 0.6473214285714286}, {"SMILES": "C=CC1=C(C=CC)C(C)(C)c2c1c1ccccc1c1c2c2ccccc2n1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.47555555555555556}, {"SMILES": "C1=CC2c3ccc4c(-c5ccccc5)nc5ccccc5c4c3N(c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)c3)C2C=C1", "similarity": 0.5130434782608696}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.6401673640167364}, {"SMILES": "Cc1cccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(N(c8ccccc8)c8ccccc8)cc7c7cc(N(c8ccccc8)c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccc%11c(c%10)c%10cc(N(c%12ccccc%12)c%12ccccc%12)ccc%10n%11-c%10cc(C)c(-c%11ccc(-c%12ccc(-c%13cc(-c%14ccccc%14C)nc(-c%14ccccc%14C)n%13)cc%12)cc%11)cc%10C)cc9)cc8)ccc76)cc5)cc4)cc3C)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.31771894093686354}, {"SMILES": "N#Cc1ccccc1-c1cc(-c2cc(C#N)c(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c(C#N)c2)nc(-c2ccccc2C#N)n1", "similarity": 0.4681647940074906}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccc(C#N)cc8c8cc(C#N)ccc87)ccc65)cc4)cc3)nc(-c3ccc(C#N)cc3)n2)cc1", "similarity": 0.46062992125984253}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1", "similarity": 0.5165876777251185}, {"SMILES": "N#Cc1cccc(-c2cc(-c3ccc(-c4ccc(-c5c(C#N)cc(-n6c7ccc(N(c8ccccc8)c8ccccc8)cc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5C#N)cc4)cc3)nc(-c3cccc(C#N)c3)n2)c1", "similarity": 0.5070422535211268}, {"SMILES": "CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccc(-c7ccccc7)cc6)c6ccccc6n5)c34)cc21", "similarity": 0.5166666666666667}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c(C#N)c2)cc1", "similarity": 0.5737704918032787}, {"SMILES": "OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1", "similarity": 0.5357142857142857}, {"SMILES": "c1ccc(-c2nc(-c3cc4ccccc4cc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)nc3ccccc23)cc1", "similarity": 0.5066666666666667}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3nc(-c4ccccc4)nc4ccccc34)c2)cc1", "similarity": 0.6521739130434783}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1", "similarity": 0.44878048780487806}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)n6)c45)n3)c2)cc1", "similarity": 0.5795918367346938}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6cc7c8ccccc8c8ccccc8n7c6cc54)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1", "similarity": 0.6153846153846154}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc6ccc7ccccc7c56)cc4)ccc2n3-c2ccccc2)cc1", "similarity": 0.5576923076923077}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5nc6ccccc6c6ccccc56)ccc43)nc3ccccc23)cc1", "similarity": 0.4647887323943662}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1", "similarity": 0.6132075471698113}, {"SMILES": "c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-n3c4ccccc4c4c5c6ccccc6ccc5c5ccccc5c43)n2)cc1", "similarity": 0.48623853211009177}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6cc(-c7cccc8c7c7ccccc7n8-c7ccccc7)ccc6c5)ccc43)n2)cc1", "similarity": 0.6883720930232559}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(-c6ccc7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c8ccccc8c7c6)cc5)c5c6cccc7c8cc(-c9ccccc9)c(-c9ccccc9)cc8c8cccc(c5c4-c4ccccc4)c8c76)cc3)n2)cc1", "similarity": 0.4782608695652174}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccccc2)c1", "similarity": 0.4864864864864865}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c5cc6ccccc6cc54)c3)n2)cc1", "similarity": 0.7122641509433962}, {"SMILES": "Cc1c(-n2c3ccccc3c3ccc4c(c32)C(C)(C)C(c2ccccc2)=N4)nc2ccccc2c1-c1ccc(-c2ccccc2)cc1", "similarity": 0.44594594594594594}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)c2)cc1", "similarity": 0.4375}, {"SMILES": "Cc1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc1-c1cc2c3ccccc3n3c4ccccc4c(c1)c23", "similarity": 0.5169082125603864}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)n2)cc1", "similarity": 0.5757575757575758}, {"SMILES": "Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cc2c3ccccc3n3c4ccccc4c(c1)c23", "similarity": 0.5242718446601942}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5ccc43)cc2)cc1", "similarity": 0.6875}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c7cc8nc(-c9ccccc9)c9ccccc9c8cc7n(-c7ccccc7)c6c5)c4)n3)c2)cc1", "similarity": 0.7142857142857143}, {"SMILES": "c1ccc(-c2nc3cc4c5ccc(-c6ccc(-c7nc(-c8ccc9ccccc9c8)c8ccccc8n7)cc6)cc5n(-c5ccccc5)c4cc3c3ccccc23)cc1", "similarity": 0.6}, {"SMILES": "C1=CCc2c(c3cc(-c4ccc5nc(-c6ccc(-c7cccc8ccccc78)cc6)nc(-c6ccccc6)c5c4)ccc3n2-c2ccccc2)C=C1.CC", "similarity": 0.52}, {"SMILES": "C=CCCC=C(C)c1ccc2c3ccc(-c4ccccc4)cc3n(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)c(-c5ccccc5)c(-c5ccc(-c6ccccc6)cc5)n4)c3)c2c1", "similarity": 0.5843621399176955}, {"SMILES": "N#Cc1cc(-c2cc(-c3ccccc3C#N)nc(-c3ccccc3C#N)n2)ccc1-c1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1", "similarity": 0.4944649446494465}, {"SMILES": "[C-]#[N+]c1ccccc1-c1cc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc3)cc2C#N)nc(-c2ccccc2[N+]#[C-])n1", "similarity": 0.5546558704453441}, {"SMILES": "CC.CC.c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4c(n(-c6ccccc6)c6ccccc46)-c4ccccc4N5c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6728110599078341}, {"SMILES": "[C-]#[N+]c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1", "similarity": 0.7389162561576355}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc1-c1nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1", "similarity": 0.28484848484848485}, {"SMILES": "c1ccc(-c2ccc(-n3c4cc5c(cc4c4c6ccccc6ccc43)c3ccccc3n5-c3cccc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)cc2)cc1", "similarity": 0.6519823788546255}, {"SMILES": "Cc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(C)c3)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.527027027027027}, {"SMILES": "[C-]#[N+]c1ccc(N(c2ccc([N+]#[C-])cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)c(C#N)c2)cc1", "similarity": 0.5673469387755102}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7cc65)cc4)n3)cc2)cc1", "similarity": 0.6973684210526315}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)CCc3ccccc3-5)n2)cc1", "similarity": 0.4492753623188406}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-n5c6ccccc6c6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc65)c4)n3)cc2)cc1", "similarity": 0.7596153846153846}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)n4)ccc3-n3c4ccccc4c4ccccc43)c2)cc1", "similarity": 0.6899563318777293}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccc%10ccccc%10c9)c8c7)ccc6c45)n3)cc2)cc1", "similarity": 0.6434782608695652}, {"SMILES": "C=CC=Cc1c(C)n(-c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3-n3c4ccccc4c4ccccc43)cc12", "similarity": 0.5766129032258065}, {"SMILES": "c1ccc(-n2c3ccc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5ccccc45)cc3c3cc4ccccc4cc32)cc1", "similarity": 0.48}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2)cc1", "similarity": 0.7205882352941176}, {"SMILES": "c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)nc(-c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c3)n2)cc1", "similarity": 0.6153846153846154}, {"SMILES": "CC1CC=CC=C1c1nc(-c2ccccc2)nc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4cccc(-c5nc(-c6cccc(C7=CC(c8ccccc8)=CCC7)c6)nc(-c6cccc(C7C=CC=CC7C)c6)n5)c4)cccc32)n1", "similarity": 0.5474452554744526}, {"SMILES": "c1ccc(-c2ccc3c(-c4cccc5c4c4ccccc4n5-c4ccccc4)nc(-n4c5ccccc5c5cc6ccccc6cc54)nc3c2)cc1", "similarity": 0.5409090909090909}, {"SMILES": "c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)c6ccccc56)nc5ccccc45)cc32)cc1", "similarity": 0.48770491803278687}, {"SMILES": "c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4cc(-n5c6ccc7ccccc7c6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)ccc4c3)n2)cc1", "similarity": 0.6043478260869565}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)c5ccccc5c43)nc3ccccc23)cc1", "similarity": 0.49361702127659574}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6)ccc54)cc3)n2)cc1", "similarity": 0.6805555555555556}, {"SMILES": "CC1(C)c2ccccc2-n2c3ccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc3c3cccc1c32", "similarity": 0.5560975609756098}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)nc3c2-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1", "similarity": 0.5564853556485355}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3)nc3ccc(-c4ccc5ccccc5c4)cc23)cc1", "similarity": 0.5866666666666667}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c7ccccc7c7ccccc7c65)nc5ccccc45)ccc32)cc1", "similarity": 0.49327354260089684}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)C3CCCCC3N5C3CCCCC3)n2)cc1", "similarity": 0.3347457627118644}, {"SMILES": "Cc1nc(C)nc(-c2ccc(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c(-c3nc(C)nc(C)n3)c2)n1", "similarity": 0.29277566539923955}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c3)n2)cc1", "similarity": 0.7277486910994765}, {"SMILES": "CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21", "similarity": 0.6280193236714976}, {"SMILES": "c1ccc(-c2ccc3c4cc5ccccc5cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c3c2)cc1", "similarity": 0.6153846153846154}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c4c3)c2)cc1", "similarity": 0.5555555555555556}, {"SMILES": "c1ccc(-c2ccc3c4c5ccccc5ccc4n(-c4nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5ccccc5n4)c3c2)cc1", "similarity": 0.5409090909090909}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)c4)n3)c2)cc1", "similarity": 0.6390243902439025}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21", "similarity": 0.6047619047619047}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c(c3)Cc3cc5ccc(-n6c7ccccc7c7ccccc76)cc5cc3C4)nc(-c3ccccc3)n2)cc1", "similarity": 0.5348837209302325}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1", "similarity": 0.6371681415929203}, {"SMILES": "Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccc(-c4ccc(C#N)cc4)cc32)n1", "similarity": 0.3004484304932735}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(c1)c1ccccc1n2-c1ccccc1", "similarity": 0.5327510917030568}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1", "similarity": 0.624390243902439}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1", "similarity": 0.6387665198237885}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1", "similarity": 0.6533333333333333}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1C=CC(=NC(=N)c1ccccc1)c1ccccc1", "similarity": 0.4897959183673469}, {"SMILES": "c1ccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)nc(-c3ccccc3)n2)cc1", "similarity": 0.6962025316455697}, {"SMILES": "FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.6839622641509434}, {"SMILES": "c1ccc(-c2nc(-c3ccc4c5cccc6c5n(c4c3)-c3ccccc3-c3ccccc3-6)nc3ccccc23)cc1", "similarity": 0.4166666666666667}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5ccccc5cc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)c3)n2)cc1", "similarity": 0.6962616822429907}, {"SMILES": "Cc1cc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(C)C)nc(-c2ccccc2)n1.c1ccccc1", "similarity": 0.4027777777777778}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)cc3)n2)cc1", "similarity": 0.6956521739130435}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1", "similarity": 0.6401673640167364}, {"SMILES": "Fc1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21", "similarity": 0.4732824427480916}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)c4)nc4ccccc34)cc2)cc1", "similarity": 0.5428571428571428}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)nc4ccccc34)cc2)cc1", "similarity": 0.6121495327102804}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)nc3ccccc23)cc1", "similarity": 0.49206349206349204}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c4ccccc34)nc3ccccc23)cc1", "similarity": 0.5796460176991151}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)nc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)n3)c(-c3ccccc3)c2)cc1", "similarity": 0.4891304347826087}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccc6c(c5ccc43)c3ccccc3n6-c3ccccc3)n2)cc1", "similarity": 0.5645933014354066}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5cc6c(c7ccccc57)-c5ccccc5C6c5ccccc5)cc4c4c5ccccc5ccc43)n2)cc1", "similarity": 0.5657894736842105}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7c5ccc5cccc(c57)n6-c5nc(-c6ccccc6)c6ccccc6n5)ccc43)n2)cc1", "similarity": 0.618421052631579}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8c6ccc6cccc(c68)n7-c6ccccc6)ccc54)c3)n2)cc1", "similarity": 0.676056338028169}, {"SMILES": "CCc1ccc(-c2nc(-c3ccc(CC)cc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1", "similarity": 0.47058823529411764}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c45)cc3)n2)cc1", "similarity": 0.6601941747572816}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc7c6Cc6c(-c8ccccc8)cccc6-7)cc54)cc3)n2)cc1", "similarity": 0.6556603773584906}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(C6c7ccccc7-c7ccccc76)ccc54)cc3)n2)cc1", "similarity": 0.624390243902439}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)n3)c(-c3ccccc3)c2)cc1", "similarity": 0.49038461538461536}, {"SMILES": "C1=CC(c2nc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc6ccccc56)ccc3n4-c3ccccc3)c3ccccc3n2)=CCC1", "similarity": 0.5135135135135135}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2C1=CC=Cc2c(n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3c2=CCC=CC=3)C1", "similarity": 0.3614457831325301}, {"SMILES": "CC(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.6574074074074074}, {"SMILES": "Clc1nc(-c2ccccc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1", "similarity": 0.4631578947368421}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c(-c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc4ccccc43)n2)cc1", "similarity": 0.6536585365853659}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c43)nc3ccccc23)cc1", "similarity": 0.5}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5c6ccccc6cc6c7ccccc7n(-c7nc(-c8ccccc8)c8ccccc8n7)c56)ccc43)cc2)cc1", "similarity": 0.5866666666666667}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)nc4)n3)cc2)cc1", "similarity": 0.6875}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1", "similarity": 0.7575757575757576}, {"SMILES": "C=CC=CC(=CC)c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-n4c5c(c6cccc(-c7cccc(-c8cccc(-c9ccc%10c(c9)c9c(c%11ccccc%11%10)CCC=C9)c8)c7)c64)C=CCC5)cc3)cc2)n1", "similarity": 0.4870848708487085}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6c6cc(-c8ccccc8)ccc6n7-c6cccc(-c7cccc(-c8cccc(-n9c%10ccc(-c%11ccccc%11)cc%10c%10c(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13cccc(-c%14cc(-c%15ccccc%15)cc(-c%15ccccc%15)c%14)c%13)n%12)c%11)cccc%109)c8)c7)c6)c5)n4)c3)c2)cc1", "similarity": 0.3830275229357798}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6c6cc(-c8cccc(-c9cccc(-c%10cccc(-c%11ccc%12c(c%11)c%11c(-c%13cccc(-c%14nc(-c%15ccccc%15)nc(-c%15cccc(-c%16cc(-c%17ccccc%17)cc(-c%17ccccc%17)c%16)c%15)n%14)c%13)cccc%11n%12-c%11ccccc%11)c%10)c9)c8)ccc6n7-c6ccccc6)c5)n4)c3)c2)cc1", "similarity": 0.38620689655172413}, {"SMILES": 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"Cc1ccccc1-c1nc(-c2ccccc2)nc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)n1", "similarity": 0.5801886792452831}, {"SMILES": "Cc1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc(C)c1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21", "similarity": 0.5823293172690763}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccc(-c3cccc(C(F)(F)F)c3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)c1", "similarity": 0.45849802371541504}, {"SMILES": "c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-c6ccccc6)n5)c4)c3c2)cc1", "similarity": 0.5795918367346938}, {"SMILES": "C=CC(=CC=CC)c1nc(-c2ccccc2)nc(-n2c3ccccc3c3cc4c(cc32)c2c(n4-c3ccccc3)CCCC2)n1", "similarity": 0.3389830508474576}, {"SMILES": "CC1(C)c2ccccc2N(c2ccccc2)c2cc3c4ccccc4n(C4=CC=C(c5nc(C6=CCCC=C6)cc(-c6ccccc6)n5)CC4)c3cc21", "similarity": 0.42857142857142855}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5cccc6c5c(c43)-c3ccccc3C6)n2)cc1", "similarity": 0.46445497630331756}, {"SMILES": "c1ccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)nc(-c3ccccc3)n2)cc1", "similarity": 0.7276785714285714}, {"SMILES": "N#Cc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc(C#N)c1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6484018264840182}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7405660377358491}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c2)cc1", "similarity": 0.6956521739130435}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2ccc3c(c2)c2c(C4CCCCC4)nc(C4CCCCC4)nc2n3-c2ccccc2)cc1", "similarity": 0.4362934362934363}, {"SMILES": "C1=CC(c2cc(-c3ccccc3)nc(N3c4ccccc4C4C=C(c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)C=CC43)n2)CCC1", "similarity": 0.5064377682403434}, {"SMILES": "c1ccc(-c2ccc3c(ccc4c3c3ccccc3n4-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c2)cc1", "similarity": 0.6615384615384615}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5cccc(-n6c7ccccc7c7cc8ccccc8cc76)c5c4)n3)cc21", "similarity": 0.53125}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)ccc43)c2)cc1", "similarity": 0.7488151658767772}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)nc(-c7ccccc7)nc5n6-c5ccccc5)ccc43)nc(-c3ccccc3)n2)cc1", "similarity": 0.7323943661971831}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)nc(-c7ccccc7)nc5n6-c5ccccc5)ccc43)n2)cc1", "similarity": 0.7323943661971831}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)cc3)n2)cc1", "similarity": 0.7405660377358491}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n(-c5ccccc5)c4cc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.746268656716418}, {"SMILES": "c1ccc(-c2ccc(-c3cc4c(-c5ccc6ccccc6c5)nc(-n5c6ccccc6c6cc7ccccc7cc65)nc4cc3-c3ccccc3)cc2)cc1", "similarity": 0.5605381165919282}, {"SMILES": "c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc(-n6c7cc8ccccc8cc7c7c8ccccc8ccc76)c6ccccc56)c5ccccc5n4)cc32)cc1", "similarity": 0.5125}, {"SMILES": "c1ccc(-c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5n4)cc3)cc2)cc1", "similarity": 0.5215311004784688}, {"SMILES": "C1=CC2CC(n3c4ccccc4c4cc5ccccc5cc43)=CC=C2C=C1c1nc(-c2ccccc2)cc(-c2ccc3ccccc3c2)n1", "similarity": 0.46017699115044247}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)nc4c3c3ccccc3n4-c3ccccc3)cc2)cc1", "similarity": 0.616504854368932}, {"SMILES": "c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6cc(-c7ccccc7)ccc6c6nc(-c7ccccc7)nc(-c7ccccc7)c65)cc4)cc3)cc2)cc1", "similarity": 0.5604838709677419}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)c65)c4)c3)n2)cc1", "similarity": 0.6926605504587156}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cccc9ccccc89)c7c6)ccc54)c3)n2)cc1", "similarity": 0.6962616822429907}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cccc43)n2)cc1", "similarity": 0.6401869158878505}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)ccc43)cc2)cc1", "similarity": 0.6163793103448276}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c43)n2)cc1", "similarity": 0.6046511627906976}, {"SMILES": "CC=CC=C(C)c1nc(-c2ccccc2)nc(-c2cccc(-n3c4ccccc4c4ccc5c(c(-c6ccccc6)c(-c6ccccc6)n5-c5ccccc5)c43)c2)n1", "similarity": 0.5848214285714286}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1", "similarity": 0.5633802816901409}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(ccc6c5c5ccccc5n6-c5cccc6ccccc56)c4)cc3)n2)cc1", "similarity": 0.6390243902439025}, {"SMILES": "c1ccc(-c2cc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.4794520547945205}, {"SMILES": "C1=CC2C(C=C1c1ccc3c(c1)c1ccccc1n3-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c1ccccc1N2c1nc(-c2ccccc2)cc(-c2ccccc2)n1", "similarity": 0.684931506849315}, {"SMILES": "C=C1C=CC=CCC(=O)n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc1c32", "similarity": 0.5990990990990991}, {"SMILES": "c1ccc(-c2nc(-c3cccc(C4c5ccccc5-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3ccccc23)cc1", "similarity": 0.6121495327102804}, {"SMILES": "CC1(C)c2ccccc2-n2c3ccc(-c4ccc(-c5cccc(-c6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6)c5)cc4)cc3c3cccc1c32", "similarity": 0.6504424778761062}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5c6ccccc6cc6c7c8ccccc8ccc7n(-c7nc(-c8ccccc8)c8ccccc8n7)c56)ccc43)cc2)cc1", "similarity": 0.5702127659574469}, {"SMILES": "CC=CC(=CC)n1c2c(c3cc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5)n4)ccc31)CNC=C2", "similarity": 0.5042735042735043}, {"SMILES": "[C-]#[N+]c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)c1", "similarity": 0.5720930232558139}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7cc65)c4)cc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1", "similarity": 0.5907473309608541}, {"SMILES": "c1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1", "similarity": 0.6330645161290323}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc5c43)n2)cc1", "similarity": 0.6273584905660378}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1", "similarity": 0.6403940886699507}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)n2)cc1", "similarity": 0.5517241379310345}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc(-c3ccccn3)n2)cc1", "similarity": 0.6335078534031413}, {"SMILES": "C1=C(CCC2CCC2)CCC1c1cc(-c2ccc3c4c5ccccc5c(-c5ccccc5)cc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2)ccc1-c1ccccc1", "similarity": 0.472}, {"SMILES": "CC.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5224489795918368}, {"SMILES": "C1=C=CC(n2c3ccccc3c3cc4c(cc32)-c2ccc(-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)cc2C4(c2ccccc2)c2ccccc2)=CC=1", "similarity": 0.581081081081081}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccc8ccccc8c7ccc6c54)c3)n2)cc1", "similarity": 0.5789473684210527}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)nc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1", "similarity": 0.6730769230769231}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6c(n5)c5ccccc5n6-c5ccccc5)c4)c3)c2)cc1", "similarity": 0.6266666666666667}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)c2)cc1", "similarity": 0.5802469135802469}, {"SMILES": "Cc1ccc2c(c1)c1ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc1n2-c1cccc(-c2cccc(-c3nc(C4=CCCC=C4)nc(-c4ccccc4)n3)c2)c1", "similarity": 0.592274678111588}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc65)cc4)cc3)n2)cc1", "similarity": 0.7004608294930875}, {"SMILES": "[C-]#[N+]c1cc(-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.47844827586206895}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4ccc(-c5nc(C)nc(C)n5)c([N+]#[C-])c4)c3c2)cc1", "similarity": 0.326271186440678}, {"SMILES": "N#Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)cc1-c1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1", "similarity": 0.6196581196581197}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c5ccccc5n(-c5ccccc5)c34)n2)cc1", "similarity": 0.5933014354066986}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3ccc(F)cc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5584415584415584}, {"SMILES": "N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(-c3ccc(F)cc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.5929203539823009}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6cc(-c7ccc(-c8ccccc8)c8ccccc78)ccc6ccc54)cc3)n2)cc1", "similarity": 0.6777251184834123}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7049180327868853}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.6294820717131474}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1", "similarity": 0.7788461538461539}, {"SMILES": "Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C)c1-c1ccc2c(c1)c1c3ccccc3n(-c3ccccc3)c1n2-c1ccccc1", "similarity": 0.6255924170616114}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1", "similarity": 0.6018099547511312}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1", "similarity": 0.6425339366515838}, {"SMILES": "CC(C)(C)c1ccc2c3ccccc3n(-c3ccc(-c4cccc(C#N)c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.5023041474654378}, {"SMILES": "CCC=Cc1c(I)c2ccccc2n1-c1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2)cc1", "similarity": 0.5990338164251208}, {"SMILES": "C1=CC2C(C=C1c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc1N2c1nc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)n1", "similarity": 0.6330645161290323}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5nc43)nc(-c3ccccc3)n2)cc1", "similarity": 0.6635071090047393}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)nc3)n2)cc1", "similarity": 0.6714285714285714}, {"SMILES": "N#Cc1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)c(-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4cccc(-c5ccccc5)c43)n2)cc1", "similarity": 0.6198347107438017}, {"SMILES": "C=CC=C(C=C)B1C2=C(CCCC2)c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21", "similarity": 0.34913793103448276}, {"SMILES": "C=CC=C(C=C)c1cc(-c2ccccc2)nc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)ccc32)n1", "similarity": 0.5511111111111111}, {"SMILES": "C1=CC(c2ccc3c(c2)c2ccc4c5cc(-c6ccccc6)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c2n3-c2ccccc2)=CCC1", "similarity": 0.6027397260273972}, {"SMILES": "CC1(C)c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc2-c2cccc3cccc1c23", "similarity": 0.5539906103286385}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1", "similarity": 0.5393258426966292}, {"SMILES": "CCCc1ccc(-n2c3c(c4ccccc42)-c2c(n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc24)CC3)cc1", "similarity": 0.4484304932735426}, {"SMILES": "C=CC=C(C=C)c1nc(-c2ccccc2)nc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3[nH]c4ccccc4c3c2)n1", "similarity": 0.47085201793721976}, {"SMILES": "c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(c6ccccc46)c4ccccc4n5-c4nc(-c5cccc6ccccc56)c5ccccc5n4)cc32)cc1", "similarity": 0.5}, {"SMILES": "Cc1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc(C)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21", "similarity": 0.6435185185185185}, {"SMILES": "C=CC1=C(C=C)C2C(=c3c(n(-c4ccccc4)c4ccccc34)=C3C=CC=CC32)c2c1n(-c1cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c1)c1ccccc21", "similarity": 0.5550847457627118}, {"SMILES": "C=C.C=CC=CC=C.C=Cc1c(C=C)n(-c2ccc(-c3nc(C)nc(-c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)n3)cc2)c2ccccc12.CC=CC", "similarity": 0.32432432432432434}, {"SMILES": "CC(C)(C)c1cc(C(C)(C)C)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)n1", "similarity": 0.32}, {"SMILES": "C1=CC2=C(CC1)C1CC(c3cc4c(c5ccccc35)c3ccccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)C=CC1N2c1ccccc1", "similarity": 0.47435897435897434}, {"SMILES": "c1ccc(-c2ccc3nc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)n4c5ccccc5nc4c3c2)cc1", "similarity": 0.53}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.7050691244239631}, {"SMILES": "Cc1nc(C)nc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c(-c3nc(C)nc(C)n3)c2)n1", "similarity": 0.3054393305439331}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5cccc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc6n7-c6ccccc6)c5n(-c5ccccc5)c34)n2)cc1", "similarity": 0.6062992125984252}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c([N+]#[C-])c1", "similarity": 0.4931506849315068}, {"SMILES": "c1ccc(-c2cccc(C3c4cc5c6ccccc6c6ccccc6c5cc4-c4cc5c6cc7c8ccccc8c8ccccc8c7cc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)c2)cc1", "similarity": 0.5111940298507462}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)n3)c2)cc1", "similarity": 0.6681034482758621}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1", "similarity": 0.6473214285714286}, {"SMILES": "c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc2ccccc12", "similarity": 0.44545454545454544}, {"SMILES": "Fc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)cc4)c23)cc1-c1ccccc1", "similarity": 0.6294642857142857}, {"SMILES": "c1ccc2c(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cccc2c1", "similarity": 0.5681818181818182}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4n(-c4ccccc4)c3n2)cc1", "similarity": 0.5639810426540285}, {"SMILES": "Cc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccccc7)c6c6ccccc56)ccc43)nc3ccccc23)cc1", "similarity": 0.5088495575221239}, {"SMILES": "C1=CC(c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8n8c9ccccc9cc8c7ccc65)c4)c3)n2)=CCC1", "similarity": 0.5589519650655022}, {"SMILES": "N#Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C#N)c1", "similarity": 0.6563876651982379}, {"SMILES": "Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1", "similarity": 0.5848214285714286}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c7c(cccc7c54)-c4ccccc4-6)cc3)nc3ccccc23)cc1", "similarity": 0.46543778801843316}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8ccccc8c8ccccc8c7c6)ccc54)cc3)n2)cc1", "similarity": 0.6260504201680672}, {"SMILES": "N#Cc1cccc(-c2cc(-c3ccc(-c4cc(C#N)c(-c5ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)cc4C#N)cc3)nc(-c3cccc(C#N)c3)n2)c1", "similarity": 0.549800796812749}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1", "similarity": 0.6557377049180327}, {"SMILES": "CC1(C)c2ccccc2N(c2ccccc2)c2cc3c4ccccc4n(C4=NC=C(c5nc(-c6ccccc6)cc(-c6ccccc6)n5)CC4)c3cc21", "similarity": 0.5246636771300448}, {"SMILES": "c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3cccc4cc5ccccc5cc34)cc(-c3cccc4cc5ccccc5cc34)n2)c1", "similarity": 0.5346153846153846}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccc(C8CCCCC8)cc7c7cc(C8CCCCC8)ccc76)ccc54)cc3)n2)cc1", "similarity": 0.4939271255060729}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4ccc(-c5cc([N+]#[C-])c(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)c([N+]#[C-])c5)cc4)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1", "similarity": 0.549800796812749}, {"SMILES": "[C-]#[N+]c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(C#N)c1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21", "similarity": 0.5887850467289719}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4n3)c2)cc1", "similarity": 0.56}, {"SMILES": "C1=CC=CC2(c3ccccc3-c3ccccc32)c2c(nc(-c3ccccc3)nc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)C=C1", "similarity": 0.5530973451327433}, {"SMILES": "C1=Cc2c(n(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c3ccc4c(c5ccccc5n4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c23)CC1", "similarity": 0.56}, {"SMILES": "Fc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc1n2-c1ccccc1", "similarity": 0.6889952153110048}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5-n5c6ccccc6c6ccccc65)n4)ccc3-n3c4ccccc4c4ccccc43)c2)cc1", "similarity": 0.6468085106382979}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1", "similarity": 0.7106382978723405}, {"SMILES": "c1cc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)c1", "similarity": 0.4815950920245399}, {"SMILES": "C=Cc1c(-c2cc(C3=CCCC=C3)nc(-c3cccc(-c4c5c(c(-c6ccc7c(c6)c6cnccc6n7C6=CCCC=C6)c6ccccc46)=CCCC=5)c3)n2)cc2ccccc2c1C=C", "similarity": 0.36727272727272725}, {"SMILES": "c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)C(c4ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc4)(c4ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc4)c4ccccc4-5)c3c2)cc1", "similarity": 0.6206896551724138}, {"SMILES": "N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1", "similarity": 0.5296296296296297}, {"SMILES": "CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3c(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(C#N)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1", "similarity": 0.5142857142857142}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc21", "similarity": 0.6577777777777778}, {"SMILES": "[C-]#[N+]c1ccccc1-c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccc(-c4ccc5ccccc5c4)cc32)c1", "similarity": 0.6139534883720931}, {"SMILES": "C=C1C=CC=CCN(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc21", "similarity": 0.5654205607476636}, {"SMILES": "Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1", "similarity": 0.6572769953051644}, {"SMILES": "Cc1cccc(-c2cc(-c3cc(C)c(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)c(C)c3)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.5474137931034483}, {"SMILES": "N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1", "similarity": 0.6015625}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6ccccc6)c6ccccc65)ccc43)n2)cc1", "similarity": 0.631578947368421}, {"SMILES": "Cc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(C)c3)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.5}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1", "similarity": 0.6403940886699507}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c4)cc3)cc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1", "similarity": 0.45768025078369906}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5c4ccc4cc6c7ccccc7c7ccccc7n6c45)n3)cc2)cc1", "similarity": 0.6081081081081081}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)n3)cc2)cc1", "similarity": 0.5291828793774319}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5c4c3)n2)cc1", "similarity": 0.6609442060085837}, {"SMILES": "c1ccc(-c2nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1", "similarity": 0.5897435897435898}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3[Si]3(c5ccccc5-c5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c53)c3ccccc3-4)n2)cc1", "similarity": 0.6043478260869565}, {"SMILES": "Cc1cc(C)cc(-c2nc(-c3cc(C)cc(C)c3)nc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)n2)c1", "similarity": 0.4883720930232558}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)n2)cc1", "similarity": 0.5789473684210527}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)n4)ccc2n3-c2ccccc2)cc1", "similarity": 0.7242990654205608}, {"SMILES": "Fc1ccc(N(c2ccccc2)c2cc3ccc4cc(N(c5ccccc5)c5ccc(F)cc5)cc5c4c3c(c2)n5-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.49794238683127573}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.5387931034482759}, {"SMILES": "c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2cc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)ncn2)c1", "similarity": 0.5739910313901345}, {"SMILES": "N#Cc1ccccc1-c1cc(-c2ccc(-c3cc(C#N)c(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)c(C#N)c3)cc2)nc(-c2ccccc2C#N)n1", "similarity": 0.549800796812749}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5ccccc5cc5c6c7ccccc7ccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)c3)n2)cc1", "similarity": 0.6412556053811659}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c34)n2)cc1", "similarity": 0.697560975609756}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(F)(F)F)cc1-c1nc(-c2ccccc2)nc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(C)ccc32)n1", "similarity": 0.3445692883895131}, {"SMILES": "C=CC1=C(C=C)C(C)(C)c2c1ccc1c2c2ccccc2n1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.4675925925925926}, {"SMILES": "CC=CC=C1CN(c2ccc(-c3cc(C4=CC=C=CC=C4)nc(C4=CC=CC=C=C4)n3)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21", "similarity": 0.4530612244897959}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)n5)c4)c3)c2)cc1", "similarity": 0.6062992125984252}, {"SMILES": "c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8ccc7c7ccccc7c65)cc4)n3)ccc2c1", "similarity": 0.5391304347826087}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4cccc(-c6ccccc6)c4n5-c4ccccc4)c3)n2)cc1", "similarity": 0.65}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-c4ccc5c6cc7nc(-c8ccccc8)c8ccccc8c7cc6n(-c6ccccc6)c5c4)c3)nc3ccccc23)cc1", "similarity": 0.6186046511627907}, {"SMILES": "C1=Cc2ccc3c4ccccc4n(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c3c2N(c2ccccc2)c2ccccc21", "similarity": 0.676056338028169}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7142857142857143}, {"SMILES": "C1=CCC(c2cc(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4c5ccccc5c5ccccc5c43)n2)C=C1", "similarity": 0.3565217391304348}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc(-c6cc7c(c8ccccc68)c6ccccc6n7-c6ccccc6)cc5)ccc43)nc3ccccc23)cc1", "similarity": 0.6081081081081081}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4-c4ccccc4N6c4ccccc4)c3)n2)cc1", "similarity": 0.6401869158878505}, {"SMILES": "C=CC=C.CC(C)(C)c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cccc32)cc1", "similarity": 0.5327510917030568}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cccc(-c6cccc(-c7cc(-c8cccc(-c9cccc(-c%10ccccc%10)c9)c8)nc(-c8cccc(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)n7)c6)c5)cc4)c3)c2)cc1", "similarity": 0.5368421052631579}, {"SMILES": "[C-]#[N+]c1ccccc1-c1cc(-c2ccc(-c3c(C#N)cc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3C#N)cc2)nc(-c2ccccc2[N+]#[C-])n1", "similarity": 0.4909090909090909}, {"SMILES": "[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2)cc(-c2ccc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2)n1", "similarity": 0.5612648221343873}, {"SMILES": "CC.CC1(C)C2=C(CCC=C2)n2c3cc4c(cc3c3cc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)cc1c32)-c1ccccc1C4(C)C", "similarity": 0.4579831932773109}, {"SMILES": "[C-]#[N+]c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4cc32)c1", "similarity": 0.5868544600938967}, {"SMILES": "N#Cc1cccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccccc3F)n2)c1", "similarity": 0.4975124378109453}, {"SMILES": "c1ccc(-c2c3ccccc3c(-c3cccc(-c4nc(-c5cccnc5)cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)n4)c3)c3ccccc23)cc1", "similarity": 0.631336405529954}, {"SMILES": "c1ccc(-c2cc(-c3cccc4c3c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6173913043478261}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)c3c(n2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2-3)cc1", "similarity": 0.5954545454545455}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3cc4c(cc3c2)Cc2ccc(-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)cc2C4)cc1", "similarity": 0.6712328767123288}, {"SMILES": "Cc1cccc2c3ccccc3n(-c3ccc4cc5c(cc4c3)Cc3ccc(-c4cc(-c6ccccc6)nc(-c6ccccc6)n4)cc3C5)c12", "similarity": 0.4954954954954955}, {"SMILES": "C=c1cc2c(cc1=CC=C(C)c1cc(-c3ccccc3)nc(-c3ccccc3)n1)Cc1cc(-n3c4ccccc4c4cccc(C)c43)ccc1C2", "similarity": 0.41702127659574467}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(ccc5c4c4ccccc4n5-c4ccccc4)c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1", "similarity": 0.5874439461883408}, {"SMILES": "Clc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.6517412935323383}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cccc(-c6cccc(-c7nc(-c8ccc(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)cc8)nc(-c8cccc(-c9cccc(-c%10ccccc%10)c9)c8)n7)c6)c5)cc4)c3)c2)cc1", "similarity": 0.5642857142857143}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3)n2)cc1", "similarity": 0.6794258373205742}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2ccccc2)c(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c(-c2ccccc2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5335689045936396}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(ccc5ccc6nc(-c7ccccc7)n(-c7ccccc7)c6c54)c3)n2)cc1", "similarity": 0.5804878048780487}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)c(-c6cccc(-c7ccccc7)c6)c5)n4)ccc3-n3c4ccccc4c4ccccc43)c2)cc1", "similarity": 0.62}, {"SMILES": "c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4c5ccccc5ccc43)n2)cc1", "similarity": 0.5610859728506787}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)cc1", "similarity": 0.6483050847457628}, {"SMILES": "N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(C#N)ccc21", "similarity": 0.5764192139737991}, {"SMILES": "c1ccc(-c2cccc(N(c3ccccc3)c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1", "similarity": 0.5365853658536586}, {"SMILES": "c1ccc(-c2nc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1", "similarity": 0.5060240963855421}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.6278026905829597}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.669683257918552}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)nc3c2[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1", "similarity": 0.5564853556485355}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-c6cc(-c7ccccc7)c7ccccc7n6)cc5)nc(-c5ccc(-c6cc(-c7ccccc7)c7ccccc7n6)cc5)c4c3)c2)cc1", "similarity": 0.5676691729323309}, {"SMILES": "N#Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C#N)cc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1", "similarity": 0.5367647058823529}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5c5c(c6ccc7ccccc7c6n5-c5ccccc5)c4c4ccccc34)n2)cc1", "similarity": 0.5616438356164384}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)nc5c(-c6ccc7ccc8cccc9ccc6c7c89)cc(-c6ccc7ccc8cccc9ccc6c7c89)cc45)cc3)c2)cc1", "similarity": 0.4707792207792208}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1", "similarity": 0.6956521739130435}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5[Si]65CCCC5)ccc43)n2)cc1", "similarity": 0.5138888888888888}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4nc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)nc5ccccc45)ccc2n3-c2ccccc2)cc1", "similarity": 0.5775862068965517}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc4ccccc34)cc21", "similarity": 0.4694835680751174}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4cc([N+]#[C-])c(-c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4C#N)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1", "similarity": 0.5136186770428015}, {"SMILES": "[C-]#[N+]c1ccccc1-c1cc(-c2cc([N+]#[C-])c(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)c([N+]#[C-])c2)nc(-c2ccccc2[N+]#[C-])n1", "similarity": 0.4722222222222222}, {"SMILES": "[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc1-c1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)cc1", "similarity": 0.6923076923076923}, {"SMILES": "CC1C=CC=CC1C1C(=Nc2ccc3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2)C=CC(c2ccc3c(c2)C2CC=CC=C2N3c2ccccc2)C1C", "similarity": 0.42248062015503873}, {"SMILES": "C1=CC(c2ccccc2)Cc2c1n(-c1cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c1ccccc21", "similarity": 0.5387096774193548}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1", "similarity": 0.476}, {"SMILES": "N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.6}, {"SMILES": "Cc1c(C)c(C)c(-c2cc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6cc54)c3)cc(-c3c(C)c(C)c(C)c(C)c3C)c2)c(C)c1C", "similarity": 0.45692883895131087}, {"SMILES": "c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)cc1", "similarity": 0.569620253164557}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1", "similarity": 0.6460176991150443}, {"SMILES": "c1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c34)c2)cc1", "similarity": 0.7083333333333334}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(C#N)cc2-c2nc(C)nc(C)n2)c1", "similarity": 0.3206751054852321}, {"SMILES": "CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)ccc2-n2c3ccccc3c3cccc1c32", "similarity": 0.5485436893203883}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)c3cc21", "similarity": 0.5485436893203883}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5cc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)nc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)n5)c4)c3cc21", "similarity": 0.6157024793388429}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccccc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc21", "similarity": 0.5118483412322274}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n5)c4)c3cc21", "similarity": 0.6024590163934426}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-n6c7ccc(N(c8ccccc8)c8ccccc8)cc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5c5ccccc5c4c3)n2)cc1", "similarity": 0.5513307984790875}, {"SMILES": "Cc1cccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c1", "similarity": 0.5952380952380952}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cccc6c7ccccc7c7cc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)ccc7c56)ccc43)cc2)cc1", "similarity": 0.7183098591549296}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6n(-c6ccccc6)c5c4)cc3)n2)cc1", "similarity": 0.7941176470588235}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)nc3ccccc23)cc1", "similarity": 0.5502392344497608}, {"SMILES": "c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)c5cc(-c7ccc(-n8c9ccccc9c9ccc(-c%10ccccc%10)cc98)cc7)ccc5n6-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)c3c2)cc1", "similarity": 0.574468085106383}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)cc43)c2)cc1", "similarity": 0.684931506849315}, {"SMILES": "c1ccc(-c2cc(-c3ccncc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1", "similarity": 0.5}, {"SMILES": "CC1(C)c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)ccc2C(c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)n2)c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)n1", "similarity": 0.4270557029177719}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c5c4)cc3)n2)cc1", "similarity": 0.7242990654205608}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc5c4c4ccccc4n5-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6923076923076923}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6c5c5ccccc5n6-c5ccccc5)c4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7313432835820896}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc7c6c6ccccc6n7-c6ccccc6)c5)c4)c3)n2)cc1", "similarity": 0.7428571428571429}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc8c7c7ccccc7n8-c7ccccc7)c6)c5)c4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6916299559471366}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3nc(-c5ccccc5)cc(-c5ccccc5)n3)c3ccccc3-4)c2)cc1", "similarity": 0.6081081081081081}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(-c5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)c7c(n6)c6ccccc6n7-c6ccccc6)c5)cc4)cc3)c2)cc1", "similarity": 0.6271186440677966}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6cccc7ccccc67)c6c(n5)c5ccccc5n6-c5ccccc5)c4)c3)c2)cc1", "similarity": 0.6438356164383562}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5c5cc(-c7ccccc7)ccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c2)cc1", "similarity": 0.7142857142857143}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5cc(-c6cccc(-c7cccc(-c8cccc(-n9c%10ccc(-c%11ccccc%11)cc%10c%10c(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)c%11)cccc%109)c8)c7)c6)nc(-c6ccccc6)n5)c4)cccc2n3-c2ccccc2)cc1", "similarity": 0.5420560747663551}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)Cc4ccccc4-6)cc3)n2)cc1", "similarity": 0.5365853658536586}, {"SMILES": "N#Cc1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.6837606837606838}, {"SMILES": "N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1cc(-c2c(C#N)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1", "similarity": 0.42507645259938837}, {"SMILES": "FC(F)(F)c1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1", "similarity": 0.6376811594202898}, {"SMILES": "[C-]#[N+]c1ccc(-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5767441860465117}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)n3)cc2)cc1", "similarity": 0.6561085972850679}, {"SMILES": "c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1", "similarity": 0.5532994923857868}, {"SMILES": "c1ccc(N2c3ccccc3-c3nc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)nc4cccc2c34)cc1", "similarity": 0.3938053097345133}, {"SMILES": "Cc1ccccc1-c1ccc(N(c2ccccc2)c2cccc3c2c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5509259259259259}, {"SMILES": "C1=CCC2C(=C1)N(c1ccccc1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc12", "similarity": 0.5633802816901409}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7242990654205608}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7327586206896551}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2F)c1", "similarity": 0.5234042553191489}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc3C#N)nc(-c3cccc([N+]#[C-])c3)n2)c1", "similarity": 0.5641025641025641}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c(-c4ccccc4)c3)n2)cc1", "similarity": 0.6}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccc6c(c5ccc43)c3ccccc3n6-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1", "similarity": 0.6651376146788991}, {"SMILES": "C=CCc1cccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1", "similarity": 0.6095238095238096}, {"SMILES": "c1cc(-c2ccc(-c3nc(C4=CC=CCC4)c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4n3)cc2)c2c(c#1)c1ccc3ccccc3c1n2-c1ccccc1", "similarity": 0.5060240963855421}, {"SMILES": "CC1(C)c2cc3c4ccccc4n(-c4ccccc4)c3cc2-c2cc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc21", "similarity": 0.6126126126126126}, {"SMILES": "CC1C=CC(c2nc(-c3ccccc3)cc(-c3cccc(-c4ccc(-n5c6ccc(C#N)cc6c6cc(C#N)ccc65)cc4)c3)n2)=CC1", "similarity": 0.44642857142857145}, {"SMILES": "Cn1c2c(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)cccc2c2cccc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)c21", "similarity": 0.4182825484764543}, {"SMILES": "CC1C=Cc2c(c3ccccc3n2-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)cc2)C1", "similarity": 0.6428571428571429}, {"SMILES": "C[Si-]1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c21", "similarity": 0.5178571428571429}, {"SMILES": "C=Cc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.5177664974619289}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c(-c5ccccc5)ccc43)n2)cc1", "similarity": 0.6635071090047393}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(c4ccccc4)c4ccccc4)nc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(c4ccccc4)c4ccccc4)n3)c2)cc1", "similarity": 0.5050505050505051}, {"SMILES": "C=CC=Cc1cc2c(cc1-c1ccccc1-c1cc3ccccc3n1-c1nc(-c3ccccc3)c3ccccc3n1)c1ccccc1n2-c1ccccc1", "similarity": 0.4700854700854701}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)c5c43)cc2)cc1", "similarity": 0.7038834951456311}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5nc(-c6ccc7ccccc7c6)c6ccc7ccccc7c6n5)cc4)ccc32)cc1", "similarity": 0.5569620253164557}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)c6c(n5)c5ccccc5n6-c5ccccc5)c4)c3)nc3c2ccc2ccccc23)cc1", "similarity": 0.6619718309859155}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)c7c(n6)c6ccccc6n7-c6ccccc6)cc5)cc4)cc3)n2)cc1", "similarity": 0.7345971563981043}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2c4ccccc4ccc2n3-c2nc(-c3ccccc3)nc3ccccc23)cc1", "similarity": 0.5142857142857142}, {"SMILES": "Cc1cc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc(C)c1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5725190839694656}, {"SMILES": "Cc1cc(-c2ccc(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)cc2)ccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5708812260536399}, {"SMILES": "Cc1cccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)cc3)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.5848214285714286}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6028708133971292}, {"SMILES": "Cc1cccc(-c2cc(-c3ccc(-c4cc(C)c(-c5ccc(-n6c7ccccc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)c(C)c4)cc3)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.5907172995780591}, {"SMILES": "N#Cc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)ccc1-c1ccc(-c2ccc(-c3cc(-c4ccccc4C#N)nc(-c4ccccc4C#N)n3)cc2)cc1", "similarity": 0.5546558704453441}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)n2)cc1", "similarity": 0.625}, {"SMILES": "CC1(C)C(c2ccccc2)=Cc2nc(-n3c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5nc(-c6ccccc6)c6ccc7ccccc7c6n5)cc4c4c5ccccc5ccc43)nc(-c3ccccc3)c21", "similarity": 0.4927536231884058}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)ccc4n(-c4ccccc4)c3n2)cc1", "similarity": 0.6046511627906976}, {"SMILES": "c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccc8ccccc8c7n(-c7ccccc7)c6cc54)c4ccccc34)n2)cc1", "similarity": 0.5702127659574469}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2ccc(-c4c(-c5ccccc5)nc(-c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6ccc(-c7cc(C)cc(Cc8cc(-c9ccc%10c(c9)c9cc(-c%11ccc(C)cc%11C)ccc9n%10-c9ccc(-c%10cc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9-c9nc(-c%10ccccc%10)cc(-c%10ccccc%10)n9)c(C)cc8C)c7)cc65)nc4-c4ccccc4)cc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1", "similarity": 0.2826086956521739}, {"SMILES": "FC(F)(F)c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1", "similarity": 0.6842105263157895}, {"SMILES": "FC(F)(F)c1cc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(C(F)(F)F)c1", "similarity": 0.6339285714285714}, {"SMILES": "Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(-c5cccc(C(F)(F)F)c5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1", "similarity": 0.5493562231759657}, {"SMILES": "N#Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1", "similarity": 0.6612244897959184}, {"SMILES": "Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc(F)c5F)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1", "similarity": 0.4977973568281938}, {"SMILES": "Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5c(F)cccc5F)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1", "similarity": 0.5225225225225225}, {"SMILES": "Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2cc(-c3c(F)cccc3F)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.5614035087719298}, {"SMILES": "[C-]#[N+]c1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc1-n1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21", "similarity": 0.592741935483871}, {"SMILES": "[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc([N+]#[C-])cc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c(C#N)c3)cc2)cc1", "similarity": 0.5270758122743683}, {"SMILES": "[C-]#[N+]c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c23)c1", "similarity": 0.5720930232558139}, {"SMILES": "C#Cc1c(C=C(C)c2cccc(C3=CC=CCC3)c2)n(-c2cccc(-c3cc(C(C=C)=CC=C)nc(-c4ccccc4)n3)c2)c2ccccc12.C=CC=C(C)C", "similarity": 0.3230769230769231}, {"SMILES": "CC1CC(n2c3ccccc3c3ccccc32)=CC=C1c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(C23C=CC=CC2C3)n1", "similarity": 0.4024896265560166}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2c4cc5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc6c5cc4ccc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5}, {"SMILES": "c1ccc(-c2nc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3ccccc3)c3ccccc3n2)cc1", "similarity": 0.6121495327102804}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1", "similarity": 0.4966887417218543}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C(F)(F)F)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.6196581196581197}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)n1", "similarity": 0.5603112840466926}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)nc(-c4ccncc4)n3)cc2)cc1", "similarity": 0.6417910447761194}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)cc4)c4ccccc4n3)c2)cc1", "similarity": 0.6415094339622641}, {"SMILES": "c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3cc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n3)cc2)nc2ccccc24)cc1", "similarity": 0.6143497757847534}, {"SMILES": "c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc32)cc1", "similarity": 0.59375}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc4c5c6ccccc6ccc5n(-c5ccccc5)c4cc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3ccccc23)cc1", "similarity": 0.6666666666666666}, {"SMILES": "c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)ccc54)c3)cc2)cc1", "similarity": 0.669683257918552}, {"SMILES": "Cc1cc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c2c2c1c1ccccc1n2-c1ccccc1", "similarity": 0.6183574879227053}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4cc5ccccc5c(-c5ccccc5)c43)nc(-c3ccccc3)n2)cc1", "similarity": 0.5223880597014925}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1", "similarity": 0.550185873605948}, {"SMILES": "C=Nc1nc(-c2ccc(-n3c4ccccc4c4c5c(c6ccccc6c6c5c5ccccc5n6-c5ccccc5)c5ccccc5c43)cc2)nc(-c2ccccc2)c1C=CC.CC", "similarity": 0.4738955823293173}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-n5c6ccccc6c6c5ccc5c7c8ccccc8ccc7n(-c7ccccc7)c56)ccc34)n2)cc1", "similarity": 0.6153846153846154}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccccc7)cc6)cc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1", "similarity": 0.5822784810126582}, {"SMILES": "Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1", "similarity": 0.5102040816326531}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6c(c7ccccc75)-c5ccccc5P(c5cccc(-c7ccccc7)c5)c5ccccc5-6)cc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.6666666666666666}, {"SMILES": "Cc1cccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4c5ccccc5ccc43)c2)c1", "similarity": 0.6367713004484304}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.5638297872340425}, {"SMILES": "[C-]#[N+]c1cc(C#N)ccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.6008064516129032}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4ccc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1", "similarity": 0.5884615384615385}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)C54c5ccccc5-c5ccccc54)cc3)n2)cc1", "similarity": 0.6556603773584906}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6556603773584906}, {"SMILES": "Fc1ccc2cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)ccc2c1", "similarity": 0.5990783410138248}, {"SMILES": "Cc1cc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccc(C#N)cc5)c5ccc(C#N)cc5)ccc43)cc2)ccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5343511450381679}, {"SMILES": "C1=Cc2cc3c(cc2N(c2ccccc2)c2ccccc21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5358851674641149}, {"SMILES": "c1ccc(C2=Nc3c(ccc4c3c3ccccc3n4-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)C2(c2ccccc2)c2ccccc2)cc1", "similarity": 0.6527777777777778}, {"SMILES": "c1ccc(-c2nc3cc4c5ccc(-c6cccc(-c7nc(-c8ccc9ccc%10cccc%11ccc8c9c%10%11)c8ccccc8n7)c6)cc5n(-c5ccccc5)c4cc3c3ccccc23)cc1", "similarity": 0.5428571428571428}, {"SMILES": "N#Cc1ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2c1", "similarity": 0.6792452830188679}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5480769230769231}, {"SMILES": "C=CC=C(C=CC)c1nc(-c2ccccc2)cc(-c2ccc(N3c4ccccc4-c4c(n(-c5ccccc5)c5ccccc45)-c4ccccc43)cc2)n1", "similarity": 0.47186147186147187}, {"SMILES": "c1c(-c2ccccc2)cc2c3cc(-c4ccccc4)ccc3n(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c2c#1", "similarity": 0.697560975609756}, {"SMILES": "c1ccc2c(-c3nc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)c45)n3)cccc2c1", "similarity": 0.46691176470588236}, {"SMILES": "CC1c2cc3c(cc2-c2ccccc2C1c1ccc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc2c1)c1ccc2ccccc2c1n3-c1ccc2ccccc2c1", "similarity": 0.5390946502057613}, {"SMILES": "CCc1ccccc1-c1c(CC)c2c3ccccc3n(-c3ccccc3)c2c2c3ccccc3n(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c12", "similarity": 0.5833333333333334}, {"SMILES": "c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2c2cc4ccc5c(c4cc32)c2ccccc2n5-c2nc(-c3ccc4ccccc4c3)c(-c3ccc4ccccc4c3)c(-c3ccc4ccccc4c3)n2)cc1", "similarity": 0.41836734693877553}, {"SMILES": "Cc1ccc2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.41116751269035534}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3cc([N+]#[C-])c(-c4ccc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc3C#N)nc(-c3cccc([N+]#[C-])c3)n2)c1", "similarity": 0.49635036496350365}, {"SMILES": "[C-]#[N+]c1ccccc1-c1cc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2)nc(-c2ccccc2[N+]#[C-])n1", "similarity": 0.5493562231759657}, {"SMILES": "c1ccc(CC2CCc3ccccc3-c3cc(-c4ccc5c(c4)c4cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc4n5-c4ccccc4)ccc32)cc1", "similarity": 0.7181818181818181}, {"SMILES": "Cc1cc(-c2ccc3cc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3c2)ccc1-n1c2ccccc2c2ccccc21", "similarity": 0.6538461538461539}, {"SMILES": "c1ccc2cc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccc9ccccc9c8)c8ccccc8n7)c6ccc54)nc4ccccc34)ccc2c1", "similarity": 0.46963562753036436}, {"SMILES": "c1ccc(-c2cccc(-c3ccc4c(ccc5c4c4c6ccccc6ccc4n5-c4ccc(-c5nc(-c6cccc(-c7ccccc7)c6)c6ccccc6n5)c5ccccc45)c3)c2)cc1", "similarity": 0.5555555555555556}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccc6cc(-n7c8ccc9ccccc9c8c8c9ccccc9c(-c9ccccc9)cc87)ccc56)nc5ccccc45)cc3)c2)cc1", "similarity": 0.5684647302904564}, {"SMILES": "c1ccc(-c2nc(-c3cccc4c(-n5c6ccc7c(-c8ccccc8)cccc7c6c6c7ccccc7c(-c7ccccc7)cc65)cccc34)nc3ccccc23)cc1", "similarity": 0.5254237288135594}, {"SMILES": "c1ccc(-c2ccc(-c3cccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9cccc(-c%10ccccc%10)c9ccc87)cccc56)nc5ccccc45)c3)cc2)cc1", "similarity": 0.5303643724696356}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7242990654205608}, {"SMILES": "C1=CC(c2cc(-c3ccccc3)nc(-c3cccc(C4C=Cc5c(c6ccccc6n5-c5ccc(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)C4)c3)n2)=CCC1", "similarity": 0.5357142857142857}, {"SMILES": "C=CC=CC1C(C)=CC=C2C1c1ccc(-c3ccc(N(C4=CC=CC=CC4)c4ccccc4C)c(C)c3)cc1N2c1cccc(-c2nc(-c3cccc4ccccc34)c3ccccc3n2)c1", "similarity": 0.3759124087591241}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1", "similarity": 0.5874439461883408}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)c2)cc1", "similarity": 0.6323529411764706}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2c(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7c(n6)c6ccccc6n7-c6ccccc6)c5)c4)cccc2n3-c2ccccc2)cc1", "similarity": 0.6772727272727272}, {"SMILES": "N#Cc1ccc(-c2cc(-c3cc(C#N)c(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc3C#N)nc(-c3ccc(C#N)cc3)n2)cc1", "similarity": 0.5142857142857142}, {"SMILES": "[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c(C#N)c2)cc1", "similarity": 0.5283018867924528}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c5ccccc5n(-c5ccccc5)c34)c2)cc1", "similarity": 0.5678391959798995}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)n2)cc1", "similarity": 0.6714285714285714}, {"SMILES": "C1=C(c2ccccc2)CCC(c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)=C1", "similarity": 0.5836909871244635}, {"SMILES": "FC(F)(F)c1ccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C(F)(F)F)c1", "similarity": 0.6266666666666667}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1", "similarity": 0.5}, {"SMILES": "N#Cc1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(C#N)cc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.556420233463035}, {"SMILES": "CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc(C(C)(C)C)c1", "similarity": 0.39100346020761245}, {"SMILES": "[C-]#[N+]c1cc([N+]#[C-])cc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.7247706422018348}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc2n3-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1", "similarity": 0.74}, {"SMILES": "FC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1", "similarity": 0.6695652173913044}, {"SMILES": "FC(F)(F)c1cc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1", "similarity": 0.6410256410256411}, {"SMILES": "Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3ccc(-c4cccc(F)c4F)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.5411255411255411}, {"SMILES": "[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5069124423963134}, {"SMILES": "C1=Cc2c(c3ccccc3n2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)CC1", "similarity": 0.5522388059701493}, {"SMILES": "C1=Cc2c(c3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cccc(-c5ccccc5)c4)n3)cc2)CC1", "similarity": 0.625}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)c4)c3)n2)cc1", "similarity": 0.72}, {"SMILES": "Cc1ccccc1-c1ccc(-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1Cc1nc(-c2ccc3cc(-c4ccccc4)ccc3c2)c2ccccc2n1", "similarity": 0.5608695652173913}, {"SMILES": "CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)n2)cc(C(C)(C)C)c1", "similarity": 0.4074074074074074}, {"SMILES": "CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)c(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)c3)n2)cc(C(C)(C)C)c1", "similarity": 0.2898550724637681}, {"SMILES": "N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.6624472573839663}, {"SMILES": "FC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C(F)(F)F)c1", "similarity": 0.6216216216216216}, {"SMILES": "Cc1cc(C)c(-n2c3ccccc3c3cc4ccc5c(-c6nc(C(C)(C)C)cc(C(C)(C)C)n6)ccc6ccc(c4c65)c32)c(C)c1", "similarity": 0.24302788844621515}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6c(-c6cc7c(c8ccccc68)c6ccccc6n7-c6ccccc6)cc54)nc4ccccc34)cc2)cc1", "similarity": 0.5504201680672269}, {"SMILES": "Fc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.5416666666666666}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4cccc(-c5nc6ccccc6c6cc7c(cc56)c5ccccc5n7-c5ccccc5)c4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.7438423645320197}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccccc5c5cc6c(cc45)c4ccccc4n6-c4ccccc4)c3)n2)cc1", "similarity": 0.68}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6625}, {"SMILES": "c1ccc2cc(-c3nc(-n4c5c6ccccc6ccc5c5c6ccccc6c6ccccc6c54)nc4ccccc34)ccc2c1", "similarity": 0.3826086956521739}, {"SMILES": "CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3cccc4c3c3c5c(ccc3n4-c3cccc(-c4nc(-c6ccccc6)nc(C6C=CC(c7ccccc7)=CC6)n4)c3)C=CCC5)ccc21", "similarity": 0.5097276264591439}, {"SMILES": "CC1(C)C2=CCC(c3ccc4c5c6ccccc6ccc5n(-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)c4c3)C=C2N(c2ccccc2)C2C=CC=CC21", "similarity": 0.450199203187251}, {"SMILES": "CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21", "similarity": 0.5575221238938053}, {"SMILES": "CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21", "similarity": 0.5575221238938053}, {"SMILES": "CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)c34)cc21", "similarity": 0.6017316017316018}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7c7cccc(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)cc43)cc2)cc1", "similarity": 0.6944444444444444}, {"SMILES": "N#Cc1ccc(-c2nc(-c3ccc(-n4c5cc6ccccc6cc5c5ccc6ccccc6c54)cc3)nc3ccccc23)cc1", "similarity": 0.4088888888888889}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)c3c(n2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1", "similarity": 0.55}, {"SMILES": "c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3c2)cc1", "similarity": 0.7038834951456311}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cc6c7c(c5)c5ccccc5n7-c5ccccc5C65c6ccccc6-c6ccccc65)c4)cc3)n2)cc1", "similarity": 0.6926605504587156}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)n2)cc1", "similarity": 0.6401869158878505}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)cc4)n3)cc2)cc1", "similarity": 0.6145038167938931}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1", "similarity": 0.7066666666666667}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)c2)cc1", "similarity": 0.704225352112676}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)ccc5-n5c6ccccc6c6ccccc65)nc4)nc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)n3)c2)cc1", "similarity": 0.6260504201680672}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)c4ccccc34)ccc1n2-c1cccc2ccccc12", "similarity": 0.4777327935222672}, {"SMILES": "Cc1nc(-c2ccc(C(C)(CC(C)C)c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(C)n4)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)n1", "similarity": 0.448559670781893}, {"SMILES": "C=CC.CC.Cc1cccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)cc2)c1", "similarity": 0.6620370370370371}, {"SMILES": "Cc1cc2cccc3ccc4ccc(-c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5C)c1c4c32", "similarity": 0.4642857142857143}, {"SMILES": "N#Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C#N)cc4)ccc2n3-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)c(C#N)c2)cc1", "similarity": 0.5161290322580645}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(C#N)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6652542372881356}, {"SMILES": "N#Cc1ccc2c(c1)-n1c3ccccc3c3cccc(c31)C2(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1", "similarity": 0.5648148148148148}, {"SMILES": "c1ccc(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.5560747663551402}, {"SMILES": "Cc1nc(-n2c3ccccc3c3ccccc32)nc2c3ccccc3c3ccccc3c12", "similarity": 0.3175355450236967}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc43)cc2)cc1", "similarity": 0.7655502392344498}, {"SMILES": "Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccc(-c5cccc(C)c5)cc4c4cc(-c5cccc(C)c5)ccc43)c2C#N)c1", "similarity": 0.5144927536231884}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(N(c8ccccc8)c8ccccc8)cc7c7cc(N(c8ccccc8)c8ccccc8)ccc76)cc5)cc4)cc3C#N)nc(-c3ccc(C#N)cc3)n2)cc1", "similarity": 0.49469964664310956}, {"SMILES": "N#Cc1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)ccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.58}, {"SMILES": "N#Cc1nc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)cc2)nc2ccccc12", "similarity": 0.5229357798165137}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c(-c4ccccc4)n3)c2)cc1", "similarity": 0.6465116279069767}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c45)cc3)cc21", "similarity": 0.5919282511210763}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c54)n3)cc2)cc1", "similarity": 0.6261682242990654}, {"SMILES": "CCc1ccccc1-c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)cc1CC", "similarity": 0.6651162790697674}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6c(c7ccccc75)-c5ccccc5P(c5ccccc5)c5ccccc5-6)cc4)n3)cc2)cc1", "similarity": 0.6451612903225806}, {"SMILES": "CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21", "similarity": 0.6359223300970874}, {"SMILES": "CC1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)cc4)c3cc21", "similarity": 0.6889952153110048}, {"SMILES": "c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)cc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5308219178082192}, {"SMILES": "N#Cc1ccc(-c2cc(-c3c(C#N)cc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc3C#N)nc(-c3ccc(C#N)cc3)n2)cc1", "similarity": 0.5267489711934157}, {"SMILES": "Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)c1", "similarity": 0.634453781512605}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc4c2n3-c2ccc(-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)cc2-c2ccccc2-4)cc1", "similarity": 0.6893203883495146}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3-c3ccccc3-5)n2)cc1", "similarity": 0.5023696682464455}, {"SMILES": "N#Cc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3-c3cccc5c6ccccc6n-4c35)n2)cc1", "similarity": 0.49528301886792453}, {"SMILES": "C=CC1=C(C=CC)N(c2ccccc2)c2ccc(-c3ccc4c5c6ccccc6ccc5n(C5=CC(c6nc(-c7ccc(-c8ccccc8)cc7)c7ccccc7n6)=CCC5)c4c3)cc2C1.CC", "similarity": 0.46360153256704983}, {"SMILES": "Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(C#N)cc4-c4nc(C)nc(C)n4)c3c2)cc1", "similarity": 0.30454545454545456}, {"SMILES": "Fc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1", "similarity": 0.6826923076923077}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1", "similarity": 0.5147058823529411}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(C#N)c2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1", "similarity": 0.49818181818181817}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc(-c2cc(-c3ccccc3C)nc(-c3ccccc3C)n2)cc1", "similarity": 0.46153846153846156}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc(-c6nc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc98)cc7)c7ccccc7n6)cc5)cc4)ccc32)cc1", "similarity": 0.45714285714285713}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1", "similarity": 0.6037735849056604}, {"SMILES": "c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc(-c3cccc4ccccc34)n2)cc1", "similarity": 0.6223175965665236}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c4ccc4cc6c7ccccc7c7ccccc7n6c45)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1", "similarity": 0.6081081081081081}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3c2c2ccccc2n3-c2ccccc2)cc1", "similarity": 0.43478260869565216}, {"SMILES": "CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2cccc(CC3(C)c4ccccc4-c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2)nc(-c2ccccc2)n1", "similarity": 0.5812274368231047}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)c4)c3)n2)cc1", "similarity": 0.652542372881356}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccc(-c6nc(-c7ccc(-c8cccc(-c9ccccc9)c8)cc7)c7ccccc7n6)c5)c5ccccc5n4)cc3)c2)cc1", "similarity": 0.618421052631579}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc(F)c2)cc1", "similarity": 0.5929203539823009}, {"SMILES": "Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-c4ccccc4C(F)(F)F)c3c2)c(C)c1", "similarity": 0.4470588235294118}, {"SMILES": "FC(F)(F)c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6nc7ccccc7c7c6ccc6c7c7ccccc7n6-c6ccccc6)c5)cc4)n3)cc2)cc1", "similarity": 0.6810344827586207}, {"SMILES": "CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c21", "similarity": 0.4558139534883721}, {"SMILES": "CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21", "similarity": 0.5539906103286385}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1", "similarity": 0.6826086956521739}, {"SMILES": "C[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5c4)ccc32)cc1", "similarity": 0.6363636363636364}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6c54)n3)cc2)cc1", "similarity": 0.7004608294930875}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c43)n2)cc1", "similarity": 0.5857142857142857}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c3)nc(N(c3ccccc3)c3ccccc3)n2)cc1", "similarity": 0.6018099547511312}, {"SMILES": "Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccc(-c4cccc(C#N)c4)cc32)n1", "similarity": 0.29464285714285715}, {"SMILES": "c1ccc(-c2nc3cc4c5cc(-c6cccc(-c7nc(-c8cccc9ccccc89)c8ccccc8n7)c6)ccc5n(-c5ccccc5)c4cc3c3ccccc23)cc1", "similarity": 0.6}, {"SMILES": "Cc1nc(-c2ccccc2)nc(-c2ccccc2)c1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccc(-c4ccccc4)cc3)c3ccccc3n2)ccc1C#Cc1ccccc1", "similarity": 0.6286919831223629}, {"SMILES": "C=C(C=CC=CC)c1nc(-c2ccccc2)nc(-c2cccc(C3=CC(n4c5ccccc5c5cc(-c6ccccc6-c6ccc7c8ccccc8c8ccccc8c7c6)ccc54)CC=C3)c2)n1", "similarity": 0.5217391304347826}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc3c4ccc(-c5cccc([N+]#[C-])c5)cc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.6348547717842323}, {"SMILES": "CC1(C)c2ccccc2-n2c3ccccc3c3cc(-c4cccc(-c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc(-c6cccc(-c7cc8c9c(c7)c7ccccc7n9-c7ccccc7C8(C)C)c6)c5)c4)cc1c32", "similarity": 0.5551601423487544}, {"SMILES": "C=Cc1nc(-n2c3cc(-c4ccc(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5C6(C)C)cc4)ccc3c3c4ccccc4ccc32)nc(-c2ccccc2)c1C=C", "similarity": 0.48360655737704916}, {"SMILES": "C1=CC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC(n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)=C1", "similarity": 0.6027397260273972}, {"SMILES": "CN(c1ccc(-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1)c1ccccc1-c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)c2)cc1", "similarity": 0.6623931623931624}, {"SMILES": "c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)n4)cc3)cc2)cc1", "similarity": 0.6714285714285714}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6nc7ccccc7c7ccc8c(nc(-c9ccccc9)n8-c8ccccc8)c67)c5)cc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.7339449541284404}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)nc4ccccc34)c2)cc1", "similarity": 0.6542056074766355}, {"SMILES": "C1=CCCC(c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c6ccccc6n(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)c45)c3)n2)=C1", "similarity": 0.6473214285714286}, {"SMILES": "Cc1cc(C)nc(C2CCc3ccccc3-c3cc(-n4c5ccccc5c5ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc54)ccc32)n1", "similarity": 0.5973451327433629}, {"SMILES": "c1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7c(-n8c9ccccc9c9ccccc98)cccc7-n7c8ccccc8c8ccccc87)n6)c5)cc43)nc(-c3ccccc3)n2)cc1", "similarity": 0.509375}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1", "similarity": 0.68}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.583756345177665}, {"SMILES": "C1=Cc2c(ccc3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c23)C1", "similarity": 0.4142857142857143}, {"SMILES": "c1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3n2)cc1", "similarity": 0.4857142857142857}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc6ccccc56)c4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1", "similarity": 0.5652173913043478}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc6ccccc6c5)c4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1", "similarity": 0.5728155339805825}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)n3)cc2)cc1", "similarity": 0.6403940886699507}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1", "similarity": 0.7405660377358491}, {"SMILES": "C1=CCC(c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5[nH]c6ccccc6c5c4)c3)n2)C=C1", "similarity": 0.38028169014084506}, {"SMILES": "C1=CCC(c2cc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c5c4)cc3)nc(-c3ccccc3)n2)C=C1", "similarity": 0.5974025974025974}, {"SMILES": "c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)cc5)n4)cc3)cc2)cc1", "similarity": 0.669683257918552}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1", "similarity": 0.7242990654205608}, {"SMILES": "Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C#N)cc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1", "similarity": 0.5801526717557252}, {"SMILES": "N#Cc1ccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.5379310344827586}, {"SMILES": "N#Cc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc1", "similarity": 0.5432525951557093}, {"SMILES": "c1cccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6c(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)cccc65)cc4)ccc32)c#1", "similarity": 0.6926605504587156}, {"SMILES": "C1=CCC2C(=C1)N(c1cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c1)c1cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)ccc12", "similarity": 0.684931506849315}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc2)cc1", "similarity": 0.6421052631578947}, {"SMILES": "C1=CCC2C(=C1)N(c1cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c1)c1cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c12", "similarity": 0.6772727272727272}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cccc6c5c5c7c(cccc7cc(-c7ccccc7)c54)-c4ccccc4-6)c4ccccc4c3)n2)cc1", "similarity": 0.5803571428571429}, {"SMILES": "C1=CC2C(C=C1c1ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc1)c1ccccc1N2c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1", "similarity": 0.7004608294930875}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)c3)n2)cc1", "similarity": 0.4828571428571429}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c7ccccc7n(-c7ccc(-c8cccc9c(-c%10ccccc%10)cc%10ccccc%10c89)cc7)c6c5)c4)n3)cc2)cc1", "similarity": 0.6956521739130435}, {"SMILES": "Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1C1C=C(c2ccc3c4ccccc4n(-c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c3c2)C=NC1", "similarity": 0.592274678111588}, {"SMILES": "Cc1nc(-c2ccccc2)nc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4C)cc3)c2)n1", "similarity": 0.6359447004608295}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c(nc(-c9ccccc9)n8-c8ccccc8)c67)cc5)cc4)n3)c2)cc1", "similarity": 0.726027397260274}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)c(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)c(-c4ccccc4)n3)c2)cc1", "similarity": 0.6506550218340611}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cc5)n4)cc3)c2)cc1", "similarity": 0.7571428571428571}, {"SMILES": "N#Cc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.4263959390862944}, {"SMILES": "CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4cc(-c5ccc(C#N)cc5)ccc4-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)ccc3-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc(C(C)(C)C)c1", "similarity": 0.4757834757834758}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc(C#N)c3)cc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.556390977443609}, {"SMILES": "CN(C1=CC=CCC1c1ccccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)c1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1", "similarity": 0.6863636363636364}, {"SMILES": "N#Cc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1", "similarity": 0.626984126984127}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C#N)cc3)cc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.5390334572490706}, {"SMILES": "CCC=C(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)c1c(C)n(-c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccccc12", "similarity": 0.6591928251121076}, {"SMILES": "Cc1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.39069767441860465}, {"SMILES": "C1=CCCC(c2ccc(C3=CC4=C(CC3)c3c(n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5ccccc35)CC4)cc2)=C1", "similarity": 0.5066079295154186}, {"SMILES": "c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5n4)cc32)cc1", "similarity": 0.5589519650655022}, {"SMILES": "CC=CC=CC=Cc1nc(-c2ccccc2)cc(-n2c3ccccc3c3c4cc(-c5ccc6ccc(-c7ccc8ccccc8c7)cc6c5)ccc4ccc32)n1", "similarity": 0.45228215767634855}, {"SMILES": "c1ccc(-c2ccc3c(ccc4c3c3ccccc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.5454545454545454}, {"SMILES": "c1ccc(-c2ccc3ccc4c(c3c2)c2ccccc2n4-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.6701030927835051}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5c5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c4ccccc34)n2)cc1", "similarity": 0.6123348017621145}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccc(-c7ccc8cc(-c9cccc%10ccccc9%10)ccc8c7)cc6ccc54)cc3)n2)cc1", "similarity": 0.6486486486486487}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)c6c(n5)c5ccccc5n6-c5ccccc5)c4)c3)n2)cc1", "similarity": 0.74}, {"SMILES": "[C-]#[N+]c1ccc(N(c2ccc(-c3ccc(-c4ccc5c6c4ccc4cccc(c46)n5-c4ccccc4)cc3)cc2)c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1", "similarity": 0.49034749034749037}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5c5cc6ccccc6cc54)c4ccccc4n3)c2)cc1", "similarity": 0.5504201680672269}, {"SMILES": "C1=CC2c3ccccc3-c3cc(-c4nc(-n5c6ccc(-n7c8ccccc8c8ccc9ccccc9c87)cc6c6cc7ccccc7cc65)c5ccccc5n4)ccc3C2C=C1", "similarity": 0.452755905511811}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc5cc(-n6c7cc8ccccc8cc7c7c(-n8c9ccccc9c9ccccc98)cccc76)ccc5c4)c4ccccc4n3)cc2)cc1", "similarity": 0.5569620253164557}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c54)nc4ccccc34)cc2)cc1", "similarity": 0.5866666666666667}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)c(-c3cc(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)ccc3-n3c4ccc(C)cc4c4cc(C)ccc43)c2)c1", "similarity": 0.3186119873817035}, {"SMILES": "[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc([N+]#[C-])c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc([N+]#[C-])c5)ccc43)c(-c3ccc(C#N)cc3)c2)c1", "similarity": 0.38461538461538464}, {"SMILES": "Cc1cc(I)cc(-c2nc(-c3cc(I)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)c1", "similarity": 0.6556016597510373}, {"SMILES": "CCCCc1cc(I)cc(-c2nc(-c3cc(I)cc(CCCC)c3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-c4nc(-c5cc(I)cc(CCCC)c5)nc(-c5cc(CCCC)cc(CCCC)c5)n4)c3)n2)c1", "similarity": 0.3617021276595745}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4cc5c(cc4-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c4ccccc4n5-c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7162790697674418}, {"SMILES": "c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cc(-n4c5ccccc5c5cc6c7ccc8ccccc8c7n(-c7ccccc7)c6cc54)cc4ccccc34)n2)cc1", "similarity": 0.5702127659574469}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8c(-c8ccccc8)cc7n(-c7ccccc7)c6cc54)c4ccccc34)n2)cc1", "similarity": 0.6233766233766234}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)c3nc(-c4ccc(-c5c6ccccc6nc6ccccc56)cc4)nc(-c4ccc(-c5c6ccccc6nc6ccccc56)cc4)c3c2)cc1", "similarity": 0.5635593220338984}, {"SMILES": "C1=Cc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc3n2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)CC1", "similarity": 0.7088607594936709}, {"SMILES": "c1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccccc3-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.5804878048780487}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc21", "similarity": 0.6206896551724138}, {"SMILES": "CCCC1(CCC)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)n3)cc21", "similarity": 0.579185520361991}, {"SMILES": "Fc1ccc(-c2ccc(-n3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(F)c1", "similarity": 0.582089552238806}, {"SMILES": "N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4ccc(-c5ccc(F)cc5F)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1", "similarity": 0.5146443514644351}, {"SMILES": "C1=CC(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)=CCC1", "similarity": 0.4669603524229075}, {"SMILES": "N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc(-c3c(-c4ccccc4)c(-c4ccccc4)c(C#N)c(-c4ccccc4)c3-c3ccccc3)n2)c(-c2ccccc2)c1-c1ccccc1", "similarity": 0.43425076452599387}, {"SMILES": "c1ccc(-c2cc(-c3cccc(N4c5ccccc5-c5c(n(-c6ccccc6)c6ccccc56)-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5990566037735849}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5692307692307692}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)n3)cc2)cc1", "similarity": 0.7142857142857143}, {"SMILES": "N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1C#N", "similarity": 0.5}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc8ccccc8c7)cc6)n5)ccc43)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1", "similarity": 0.42385786802030456}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)ccc4c3)n2)cc1", "similarity": 0.6428571428571429}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7cccc(C(c8ccccc8)(c8ccccc8)c8ccccc8)c7)c6cc54)c3)n2)cc1", "similarity": 0.6115702479338843}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc4n5-c4ccccc4)cc(-c4c(-c5cccc6ccccc56)ccc5ccc(-c6cccc7ccccc67)cc45)c3)c2)cc1", "similarity": 0.4820359281437126}, {"SMILES": "C1=CC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)c3)n2)=CCC1", "similarity": 0.6019417475728155}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3F)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6124401913875598}, {"SMILES": "Cc1ccc(-c2cc(-c3c(C)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3C)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.4826086956521739}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(C#N)c(-c5nc(C)nc(C)n5)c4)c3c2)c1", "similarity": 0.26422764227642276}, {"SMILES": "N#Cc1ccccc1-c1cc(-c2cc(C#N)c(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2C#N)nc(-c2ccccc2C#N)n1", "similarity": 0.44081632653061226}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)c3ccccc3n2)cc1", "similarity": 0.5566037735849056}, {"SMILES": "c1ccc(-c2cc(-c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1", "similarity": 0.5560747663551402}, {"SMILES": "C1=Cc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2N(c2nc(-c3ccccc3)c3ccccc3n2)c2ccccc21", "similarity": 0.5416666666666666}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc([Ge](c6ccccc6)(c6ccccc6)c6ccccc6)c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.5959183673469388}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c54)n3)cc2)cc1", "similarity": 0.7058823529411765}, {"SMILES": "N#Cc1ccc(-n2c3cc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1", "similarity": 0.6405529953917051}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc5ccccc45)c3)n2)cc1", "similarity": 0.62}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5c6ccccc6ccc5c5ccc6ccccc6c54)cc3)n2)cc1", "similarity": 0.5362318840579711}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(cc4-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)n2)cc1", "similarity": 0.6681034482758621}, {"SMILES": "c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)nc(-c3cccc(-n4c5ccc(-c6ccc7c8cc9c%10ccccc%10n(-c%10cccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)c%10)c9cc8n(-c8ccccc8)c7c6)cc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c3)n2)cc1", "similarity": 0.5271084337349398}, {"SMILES": "CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21", "similarity": 0.5855855855855856}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1", "similarity": 0.6020408163265306}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5cccc6c5c5c7c(ccc(-c8ccccc8)c7ccc54)-c4ccccc4-6)cc3)nc(-c3ccc4ccccc4c3)n2)cc1", "similarity": 0.5874439461883408}, {"SMILES": "c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)c(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1", "similarity": 0.48221343873517786}, {"SMILES": "C1=CC2C(C=C1c1ccc3c4ccccc4n(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c1)c1ccccc1N2c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.6547085201793722}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc(-c3cc(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)ccc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)c1", "similarity": 0.46060606060606063}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4c4ccccc4c4cccc(-n6c7ccccc7c7ccccc76)c45)n3)c2)cc1", "similarity": 0.6415094339622641}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc(C6(c7ccccc7)c7ccccc7-n7c8ccccc8c8cccc6c87)cc5)ccc4c3)n2)cc1", "similarity": 0.6651376146788991}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c4c4c6c(cc7ccccc7c6c6ccccc6c43)-c3ccccc3-5)n2)cc1", "similarity": 0.5}, {"SMILES": "C1=CC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)=C2Cc3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3C2C1", "similarity": 0.6387665198237885}, {"SMILES": "C1=Cc2c(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)cc3n2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)CC1", "similarity": 0.6468085106382979}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1", "similarity": 0.6425339366515838}, {"SMILES": "c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cc6ccccc6cc54)ccc4ccccc34)n2)cc1", "similarity": 0.6227272727272727}, {"SMILES": "c1ccc(-c2cc(-c3cc(-c4ccccc4)c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5c(-c6ccccc6)cccc54)c(-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6260504201680672}, {"SMILES": "N#Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1", "similarity": 0.6403508771929824}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6-c6ccccc6)cc(-c6ccccc6)c54)cc3)n2)cc1", "similarity": 0.7058823529411765}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6nc7ccccc7c7c(-c8ccccc8)cccc67)c5)cc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.6875}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)c3)n2)cc1", "similarity": 0.7222222222222222}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c(c3)-c3cccc5cccc-4c35)nc(-n3c4ccccc4c4c5ccc6ccccc6c5c5ccccc5c43)n2)cc1", "similarity": 0.47413793103448276}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4cc(-c5ccccc5)cc(-c5ccccc5)c4c4c(-c5ccccc5)cc(-c5ccccc5)cc43)cc2)cc1", "similarity": 0.5103448275862069}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)cc1-c1ccccc1", "similarity": 0.6244897959183674}, {"SMILES": "C1=CC(c2ccc(C3=C(n4c5ccccc5c5cc(-c6ccccc6)ccc54)C(c4ccc(-c5ccccc5)cc4)CC(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)=C3)cc2)=CCC1", "similarity": 0.6768558951965066}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)ccn2)cc1", "similarity": 0.7227722772277227}, {"SMILES": "[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1", "similarity": 0.3842364532019704}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc6cc7ccccc7cc6c6c5c5ccccc5n6-c5ccccc5)cc4)n3)cc2)cc1", "similarity": 0.69377990430622}, {"SMILES": "Clc1nc(-c2ccccc2)nc(-c2ccc3c4ccccc4n(-c4ccccc4-c4ccccc4)c3c2)n1", "similarity": 0.472636815920398}, {"SMILES": "c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1", "similarity": 0.64}, {"SMILES": "[Al]c1ccccc1-n1c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21", "similarity": 0.7607655502392344}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3cc(-c4nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)n4)ccc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)c1", "similarity": 0.46060606060606063}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3cc4c6ccccc6n(-c6ccccc6)c4cc3-5)n2)cc1", "similarity": 0.5681818181818182}, {"SMILES": "c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)ccc6ccccc56)n4)cc32)cc1", "similarity": 0.5836909871244635}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1ccc(-n3c4ccccc4c4ccccc43)cc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)cc1-c1ccccc1", "similarity": 0.5766423357664233}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4ccccc4)cc(-c4ccccc4)c2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2)cc1", "similarity": 0.5343511450381679}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4cccc(N5c6ccccc6-c6cc7ccccc7cc6-n6c5cc5ccccc56)c4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.6100917431192661}, {"SMILES": "c1ccc(-c2cc(-c3ccc(N4c5cc6ccccc6cc5-c5ccccc5-n5c4cc4ccccc45)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5416666666666666}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4)c3)n2)cc1", "similarity": 0.5692307692307692}, {"SMILES": "C1=CC(c2cc(-c3ccccc3)nc(C3C=Cc4ccccc4C3)n2)=CC(n2c3ccc4ccccc4c3c3c4ccccc4ccc32)C1", "similarity": 0.3865546218487395}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-n1c2ccc(C)cc2c2cc(C)ccc21", "similarity": 0.40822784810126583}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3c3ccc5c(c6ccccc6n5-c5ccccc5)c34)nc(-c3ccccc3)n2)cc1", "similarity": 0.625615763546798}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c2-c2cc(C)nc(C)n2)cc1", "similarity": 0.3591549295774648}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1", "similarity": 0.5098814229249012}, {"SMILES": "c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2c1c1cc3ccccc3cc1n2-c1nc(-c2ccc3ccc4ccccc4c3c2)c2ccccc2n1", "similarity": 0.44534412955465585}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc(-c4ccc(-c5cccc6c(-c7ccccc7)nc7ccccc7c56)cc4)c3)n2)cc1", "similarity": 0.7222222222222222}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(C3CC4CCC3CC4c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1", "similarity": 0.45161290322580644}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5N5c6cc7ccccc7cc6-c6cccc7cccc5c67)nc5ccccc45)ccc32)cc1", "similarity": 0.5260869565217391}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2cccc(-c3nc(-c5ccccc5)c5ccccc5n3)c2)-c2ccccc2[I-]4)cc1", "similarity": 0.5352112676056338}, {"SMILES": "Cc1cc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc(C)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5697211155378487}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(C)ccc43)ccc1n2-c1ccc(-c2ccc(-c3cc(-c4ccccc4C)nc(-c4ccccc4C)n3)cc2)cc1", "similarity": 0.4795539033457249}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)n3)cc2)cc1", "similarity": 0.600896860986547}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1", "similarity": 0.5578947368421052}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1", "similarity": 0.6788990825688074}, {"SMILES": "[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1", "similarity": 0.6177606177606177}, {"SMILES": "c1ccc(-c2nc3ccccc3c3c(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c4ccccc4n23)cc1", "similarity": 0.41333333333333333}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6c(-n7c8ccccc8c8ccccc87)cccc65)c(-c5ccccc5)c4)n3)cc2)cc1", "similarity": 0.5578947368421052}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1", "similarity": 0.5257731958762887}, {"SMILES": "c1ccc(-c2nc(-c3ccc4c(c3)c3c(ccc5c6ccccc6n(-c6ccccc6)c53)n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.652542372881356}, {"SMILES": "[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3cccc(C)c3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(C(F)(F)F)c2)c1", "similarity": 0.5311203319502075}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4cccc5cc(-n6c7ccccc7c7c8c9ccccc9n(-c9ccccc9)c8ccc76)ccc45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(-n6c7ccccc7c7c8c9ccccc9n(-c9ccccc9)c8ccc76)cccc5c4)n3)cc2)cc1", "similarity": 0.4441489361702128}, {"SMILES": "N#Cc1ccc(C2C=C(c3cc(-c4ccccc4)nc(-c4ccccc4)n3)C=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C2)cc1", "similarity": 0.543778801843318}, {"SMILES": "c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c3cc4ccccc4cc3n(-c3ccc(-c4nc(-c5ccc6c(ccc7ccccc76)c5)nc5ccccc45)cc3)c2c1", "similarity": 0.48221343873517786}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c5cc6ccccc6cc54)c4ccccc4n3)c2)cc1", "similarity": 0.5439330543933054}, {"SMILES": "C1=Cc2c(cc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5c(c6ccccc64)=CC4CC(n6c7c(c8cc9ccccc9cc86)CCC=C7)=CC=C4C=5)n3)c3ccccc23)CC1", "similarity": 0.4163568773234201}, {"SMILES": "CCCC.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c(-n5c6ccccc6c6ccccc65)cccc3n4-c3ccccc3)n2)cc1", "similarity": 0.6285714285714286}, {"SMILES": "CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5nc(-c6ccccc6C(C)(C)C)nc(-c6ccccc6C(C)(C)C)n5)ccc43)n2)cc(C(C)(C)C)c1", "similarity": 0.3566666666666667}, {"SMILES": "N#Cc1cc(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1", "similarity": 0.4263959390862944}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)n1", "similarity": 0.5219123505976095}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2ccccc2c2cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c23)cc1", "similarity": 0.7066666666666667}, {"SMILES": "C#Cc1cccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-c4ccc5c(c4)c4cc(-c6ccccc6-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc4n5-c4ccccc4)c3)cc2-c2cccc(C#C)c2C#C)c1C#C", "similarity": 0.5063291139240507}, {"SMILES": "c1ccc2cc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c(-n7c8ccccc8c8cc9ccccc9cc87)cccc65)c5ccccc45)nc4ccccc34)ccc2c1", "similarity": 0.4591439688715953}, {"SMILES": "Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1cc(-n2c3c(C)c(C)c(C)c(C)c3c3c(C)c(C)c(C)c(C)c32)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.38349514563106796}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7cccc8ccccc78)cc65)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc5)nc5ccccc45)cc3)c2)cc1", "similarity": 0.4}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6c5c5cc7c(cc5n6-c5ccccc5)c(-c5ccccc5)nc5ccccc57)cc4)c3)n2)cc1", "similarity": 0.7464788732394366}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc1", "similarity": 0.7083333333333334}, {"SMILES": "C1=CCCC(c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(C6C=C(c7ccccc7)N=C(c7ccccc7)C6)cc5)nc5c(C6=CCCC(c7ccccc7)=C6)cc(-c6cccc(C7=CCCC=C7)c6)cc45)cc3)c2)=C1", "similarity": 0.5}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6c5c5cc7c(-c8ccccc8)nc8ccccc8c7cc5n6-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.7222222222222222}, {"SMILES": "c1ccc2c(c1)-c1ccccc1-c1cc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-2", "similarity": 0.4338235294117647}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.5510204081632653}, {"SMILES": "N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1", "similarity": 0.6138211382113821}, {"SMILES": "c1ccc(-c2ccc3c4cc5ccccc5cc4n(-c4nc(-c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)c5ccccc5n4)c3c2)cc1", "similarity": 0.43137254901960786}, {"SMILES": "N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cc(-c2ccccc2)nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1", "similarity": 0.5964125560538116}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4cccnc4)nc(-c4cccnc4)n3)cc2-c2ccccc2)cc1", "similarity": 0.6636363636363637}, {"SMILES": "N#Cc1c(-c2ccccc2)nc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4c3)c2)nc1-c1ccccc1", "similarity": 0.6181818181818182}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c23)cc1", "similarity": 0.7058823529411765}, {"SMILES": "Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.6017699115044248}, {"SMILES": "c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1", "similarity": 0.3450413223140496}, {"SMILES": "CC(C)(C)c1cc(-c2ccccc2)cc2c3cc(-c4ccccc4)ccc3n(-c3c(-c4ccccc4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3ccccc3)c12", "similarity": 0.6233766233766234}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc(-c4ccccc4)c2n3-c2c(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2)cc1", "similarity": 0.6134453781512605}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4nc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)nc(-c5ccc(C6=Nc7ccccc7C6c6ccccc6)cc5)c4c3)cc2)cc1", "similarity": 0.5278810408921933}, {"SMILES": "c1ccc2cc3c(cc2c1)c1ccc(-n2c4ccccc4c4ccc5ccccc5c42)cc1n3-c1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)c3ccccc3n2)cc1", "similarity": 0.48221343873517786}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5cc(F)cc(F)c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.5022222222222222}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(F)cc(F)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1", "similarity": 0.5111111111111111}, {"SMILES": "Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cc(F)cc(F)c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1", "similarity": 0.5089285714285714}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(-c3c(F)cccc3F)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.48760330578512395}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(ccc6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c65)c4)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(ccc6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c65)c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1", "similarity": 0.5}, {"SMILES": "CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc43)nc3cccc1c23", "similarity": 0.6384976525821596}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)n2)cc1", "similarity": 0.42144638403990026}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc5c(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cccc45)nc4ccccc34)c2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9cccc(-c%10ccccc%10)c9ccc87)cccc56)nc5ccccc45)c3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc5c(-n6c7ccc8ccccc8c7c7c8ccccc8c(-c8ccccc8)cc76)cccc45)nc4ccccc34)c2)cc1", "similarity": 0.25773195876288657}, {"SMILES": "C1=Cc2c(c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5c4)cc3n2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)CC1", "similarity": 0.6192468619246861}, {"SMILES": "N#Cc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc(-c3ccccc3)n2)c1", "similarity": 0.5943396226415094}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)n2)cc1", "similarity": 0.4828571428571429}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c6c7c(-c8ccccc8)nc8ccccc8c7ccc6n(-c6ccccc6)c45)cc3)n2)cc1", "similarity": 0.7019230769230769}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5)cc43)cc2)cc1", "similarity": 0.7575757575757576}, {"SMILES": "c1cc(-n2c3ccccc3c3ccc4ccccc4c32)c2cc3c4ccccc4n(-c4nc(-c5cc6ccccc6c6ccccc56)nc5ccccc45)c3cc2c1", "similarity": 0.45121951219512196}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cccc7c8ccccc8n-6c57)c4)n3)cc2)cc1", "similarity": 0.684931506849315}, {"SMILES": "Cc1cc(-c2ccc3c(c2)c2c(n3-c3ccccc3)C(C)CC=C2)ccc1C=Cc1ccccc1Nc1nc(-c2ccccc2)c2ccccc2n1", "similarity": 0.4279661016949153}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4c4ccc6c7ccccc7n(-c7ccccc7)c6c45)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.6893203883495146}, {"SMILES": "c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4c(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)cccc4c3)n2)cc1", "similarity": 0.6227272727272727}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)c3ccccc3n5-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.625615763546798}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6190476190476191}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c6cc7c(cc6n(-c6ccccc6)c45)c(-c4ccccc4)nc4ccccc47)c4ccccc34)n2)cc1", "similarity": 0.6194690265486725}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4cccc5cc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)ccc45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5cc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)ccc45)n3)cc2)cc1", "similarity": 0.4715447154471545}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2c(-c3cc(C#N)cc(C#N)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc([N+]#[C-])cc([N+]#[C-])c2)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3cc(C#N)cc(C#N)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc([N+]#[C-])cc([N+]#[C-])c2)cc1", "similarity": 0.3886255924170616}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cccc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c56)ccc43)c2)cc1", "similarity": 0.7405660377358491}, {"SMILES": "c1ccc(-c2ccc(-c3ccc4c5ccccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4c3)cc2)cc1", "similarity": 0.7277486910994765}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c4ccccc4c23)cc1", "similarity": 0.7023255813953488}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc(-c6ccccc6)c5c5c6ccccc6ccc54)cc3)n2)cc1", "similarity": 0.6119402985074627}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccc(N(c7ccccc7)c7ccccc7)cc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c3)n2)cc1", "similarity": 0.3918269230769231}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-n4c5ccccc5c5c(-c6ccccc6)cccc54)c3)n2)cc1", "similarity": 0.6788990825688074}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c43)n2)cc1", "similarity": 0.2988505747126437}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3cc4c6ccccc6n(-c6ccccc6)c4cc3-5)n2)cc1", "similarity": 0.5681818181818182}, {"SMILES": "c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)c3)ccc2c1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)n3)ccc2c1.c1ccc2cc(-c3cc(-n4c5ccccc5c5c6c7ccccc7ccc6c6ccccc6c54)nc(-c4ccc5ccccc5c4)n3)ccc2c1", "similarity": 0.2865731462925852}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5cccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)c5c4c3)n2)cc1", "similarity": 0.6473214285714286}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccc(-c7cccc(-c8ccc(-c9nc(-c%10ccc(-c%11ccc%12ccccc%12c%11)cc%10)nc(-c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%10)n9)cc8)c7)cc6c5)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1", "similarity": 0.4822485207100592}, {"SMILES": "C=C(C)c1ccc2c(c1)c1cc(F)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.470873786407767}, {"SMILES": "C#Cc1cccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-c4ccc5c(c4)c4ccc6c(c7ccccc7n6-c6ccccc6)c4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2-c2cccc(C#C)c2C#C)c1C#C", "similarity": 0.5214521452145214}, {"SMILES": "c1cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-n2c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3c3ccc4ccccc4c32)c1", "similarity": 0.5057471264367817}, {"SMILES": "c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5955056179775281}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2cc(C#N)cc(C#N)c2)n1", "similarity": 0.3484848484848485}, {"SMILES": "Cc1ccc(-c2cc(-c3cccc(-c4cccc5c(-c6cccc(-c7cccc8c7c7ccccc7n8-c7cccc(-c8cc(-c9ccc(-c%10cccc%11nc(-c%12ccccc%12)c%12ccccc%12c%10%11)cc9)nc(-c9ccccc9)n8)c7)c6)nc6ccccc6c45)c3)nc(-c3ccc(C)cc3)n2)cc1", "similarity": 0.4984709480122324}, {"SMILES": "Cc1cc(-c2ccc(-c3ccc(-c4cc(-c5ccc(C#N)cc5)nc(-c5ccc(C#N)cc5)n4)cc3)cc2)cc(C#N)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21", "similarity": 0.5078125}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5)c5ccccc5c5ccccc45)cc3)n2)cc1", "similarity": 0.6266666666666667}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7c8ccccc8nc(-c8ccccc8)c76)cc5)cc4)cc3)n2)cc1", "similarity": 0.6901408450704225}, {"SMILES": "c1ccc(-n2c3ccccc3c3cccc(-c4nc(-c5cccc6ccccc56)nc(-c5c(-n6c7ccccc7c7cc8ccccc8cc76)ccc6ccccc56)n4)c32)cc1", "similarity": 0.5375}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2C#N)c(C#N)c1", "similarity": 0.49809885931558934}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc6cc(-c7ccccc7)c(-c7ccccc7)nc6c5)nc(-c5ccc6c(-c7ccccc7)cc(-c7ccccc7)nc6c5)c4c3)c2)cc1", "similarity": 0.5274725274725275}, {"SMILES": "C=CC(=CCCn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)cc(C(C)(C)C)c21)c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1", "similarity": 0.5914893617021276}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6cccc7c8ccccc8c8c9ccccc9cc5c8c76)c4)nc(-c4ccc5ccccc5c4)n3)cc2)cc1", "similarity": 0.6238532110091743}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4ccc(-c5nc6c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cccc6c6c5ccc5ccccc56)cc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.6695652173913044}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6cc7c(-n8c9ccccc9c9ccc%10ccccc%10c98)cccc7cc65)c5ccccc5n4)ccc32)cc1", "similarity": 0.5308641975308642}, {"SMILES": "c1ccc(-c2ccc3c(-c4ccc5c(ccc6ccccc65)c4)nc(-n4c5cc(-c6ccccc6)ccc5c5cc6ccccc6cc54)nc3c2)cc1", "similarity": 0.5132743362831859}, {"SMILES": "C1=C(c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7cccc(-c8ccccc8)n7)n6)c5cc43)n2)N=C(c2ccccc2)CC1", "similarity": 0.49361702127659574}, {"SMILES": "c1ccc(-c2cc(-c3ccc(N4c5ccccc5-c5ccccc5-n5c4cc4cc6ccccc6cc45)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5345622119815668}, {"SMILES": "N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1nc(-c2ccccc2)cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1", "similarity": 0.5892857142857143}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)ccc3-c3cccc4c3-c3c(ccc5c3c3ccccc3n5-c3ccccc3)C4)n2)cc1", "similarity": 0.6468085106382979}, {"SMILES": "CC(C)(C)c1cccc(-c2nc(-c3cccc(C(C)(C)C)c3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C#N)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)c1", "similarity": 0.5654008438818565}, {"SMILES": "CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5nc(-c6c(C(C)(C)C)cc(C(C)(C)C)cc6C(C)(C)C)nc(-c6c(C(C)(C)C)cc(C(C)(C)C)cc6C(C)(C)C)n5)ccc43)n2)cc(C(C)(C)C)c1", "similarity": 0.2585227272727273}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c4)n3)cc2)cc1", "similarity": 0.6695652173913044}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cc1", "similarity": 0.6916299559471366}, {"SMILES": "c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c2cc3c4ccccc4n(-c4nc(-c5ccc6c(ccc7ccccc76)c5)nc5ccccc45)c3cc2c1", "similarity": 0.48132780082987553}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5ccccc45)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1", "similarity": 0.6304347826086957}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4cccnc4)nc(-c4cccnc4)n3)cc2-c2ccccc2)cc1", "similarity": 0.6492890995260664}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1", "similarity": 0.5578947368421052}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5cc(-n6c7ccccc7c7ccccc76)c(-c6ccccc6)cc5c5cc(-c6ccccc6)c(-n6c7ccccc7c7ccccc76)cc54)c(-c4ccccc4)c3)n2)cc1", "similarity": 0.5050847457627119}, {"SMILES": "C1=NCCc2c1c1cc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)n3)ccc1n2-c1ccccc1", "similarity": 0.6388888888888888}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6nc(-c7ccccc7)c7cccc(-c8ccccc8)c7c6c5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1", "similarity": 0.6547085201793722}, {"SMILES": "c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)n3)nc(-c3ccccc3)n2)cc1", "similarity": 0.697560975609756}, {"SMILES": "Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4nc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cccc5c5c4ccc4ccccc45)cc3)n2)cc1", "similarity": 0.522633744855967}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5ccccc45)n3)c2)cc1", "similarity": 0.6741071428571429}, {"SMILES": "c1ccc(-c2ccc(-c3ccccc3)c(-c3cnc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1", "similarity": 0.6695652173913044}, {"SMILES": "CN(C)c1ccc(-c2nc(-c3ccc(N(C)C)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1", "similarity": 0.4528301886792453}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)c5ccccc5n4)ccc3-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1", "similarity": 0.722488038277512}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4cc5c7ccccc7n(-c7ccccc7)c5cc4-6)c3)n2)cc1", "similarity": 0.6278026905829597}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1", "similarity": 0.7083333333333334}, {"SMILES": "c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1", "similarity": 0.7264150943396226}, {"SMILES": "CC1C=CC(c2nc3c(-c4ccc(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)cc4)cccc3c3c2ccc2c3c3ccccc3n2-c2ccccc2)=CC1", "similarity": 0.5083333333333333}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c(-n7c8ccccc8c8cc9ccccc9cc87)cccc6cc54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1", "similarity": 0.611353711790393}, {"SMILES": "c1ccc(-c2ccc(-c3nc4nc(n3)C(c3ccccc3)(c3ccc(-c5ccccc5)cc3)c3ccc5c6ccc(-c7ccccc7)cc6n(c5c3)-c3ccc5c6ccccc6c6cccc-4c6c5c3)cc2)cc1", "similarity": 0.5697674418604651}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2ccccc2c2cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)c23)cc1", "similarity": 0.6271186440677966}, {"SMILES": "c1ccc(-n2c3cccc4c3c3c5c(ccc32)ccc2c5c3c-4cccc3n2-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1", "similarity": 0.5061224489795918}, {"SMILES": "c1cc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc3ccccc23)cc(-n2c3cc4ccccc4cc3c3c(-n4c5ccccc5c5c6ccccc6ccc54)cccc32)c1", "similarity": 0.4827586206896552}, {"SMILES": "c1cc(-c2nc(-c3cccc4ccccc34)nc3ccccc23)cc(-n2c3cc4ccccc4cc3c3c(-n4c5ccccc5c5ccc6ccccc6c54)cccc32)c1", "similarity": 0.4816326530612245}, {"SMILES": "C=CC=CC(=CC)c1nc(-c2ccc(-n3c4cc5ccccc5cc4c4c(-c5cccc(-c6cccc(-c7cc8c(-c9ccccc9)nc(-c9ccc(-n%10c%11cc%12ccccc%12cc%11c%11c(-c%12ccccc%12)cccc%11%10)cc9)nc8cc7-c7ccc(-c8ccccc8)cc7)c6)c5)cccc43)cc2)nc2cc(-c3cccc4ccccc34)c(-c3ccccc3)cc12", "similarity": 0.3865336658354115}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)c7ccccc7n6)c5)c4)c4ccccc4n3)c2)cc1", "similarity": 0.6027397260273972}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1c(-c2ccc(-c3ccccc3)cc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(-c2ccccc2)cc1", "similarity": 0.6334661354581673}, {"SMILES": "CC(C)(C)c1ccc(-c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)cc(C4C=CC=CC4)n3)cc(-c3ccccc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1", "similarity": 0.5783132530120482}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccc(C3=CCCC=C3)cc2)cc(-c2nc(C3=CCCC=C3)nc(C3C=CC=CC3)n2)cc1-c1ccc(C2C=CC=CC2)cc1", "similarity": 0.36900369003690037}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc(-c3ccc4c5c6ccccc6ccc5n(-c5ccccc5)c4c3)c3ccccc3n2)cc1", "similarity": 0.4497991967871486}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8cccc(-c9ccccc9)c8)c8ccccc8n7)c6)c5)c4)nc4ccccc34)c2)cc1", "similarity": 0.5974025974025974}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)n2)cc1", "similarity": 0.6019417475728155}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3ccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6c7ccccc7ccc65)cc34)n2)cc1", "similarity": 0.6285714285714286}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5cc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)ccc45)n3)cc2)cc1", "similarity": 0.6883720930232559}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6nc(-c6ccc7ccc8cccc9ccc6c7c89)c54)cc3)n2)cc1", "similarity": 0.5663716814159292}, {"SMILES": "CC(C)(C)c1cc(-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc(-c3ccccc3)c1n2-c1c(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1", "similarity": 0.5298804780876494}, {"SMILES": "N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21", "similarity": 0.5363636363636364}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1C#N", "similarity": 0.5}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c2)cc1", "similarity": 0.6609442060085837}, {"SMILES": "CCc1nc2c3c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1", "similarity": 0.5642201834862385}, {"SMILES": "CCc1nc2c3c(-c4ccc(-c5c(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)nc5-c5ccccc5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1", "similarity": 0.6222222222222222}, {"SMILES": "N#Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1", "similarity": 0.680952380952381}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6c7ccccc7ccc6c6ccccc6c5c43)nc3ccccc23)cc1", "similarity": 0.41964285714285715}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cccc(-c6cccc7c(-c8ccccc8)nc8ccccc8c67)c5)cc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.6772727272727272}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cccc7c(-c8ccccc8)nc8ccccc8c67)cc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1", "similarity": 0.6043478260869565}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc6c7ccccc7nc(-c7ccccc7)c6n5-c5ccccc5)cc4)c4ccccc34)nc(-c3ccccc3)n2)cc1", "similarity": 0.6666666666666666}, {"SMILES": "c1ccc(-c2nc3ccccc3c3nc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)n(-c4ccccc4)c23)cc1", "similarity": 0.5345622119815668}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1", "similarity": 0.6586538461538461}, {"SMILES": "Brc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(C4=CC=CCC4)cc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.5242718446601942}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc65)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1", "similarity": 0.6259541984732825}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)c4)c3)n2)cc1", "similarity": 0.7655502392344498}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7cc(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)c7)n6)ccc54)cc3)n2)cc1", "similarity": 0.6015037593984962}, {"SMILES": "Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(C)cc3c3cc(C)ccc32)cc1", "similarity": 0.5065502183406113}, {"SMILES": "c1ccc(-c2nc(-c3cccc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1", "similarity": 0.5866666666666667}, {"SMILES": "[C-]#[N+]c1ccccc1-c1cc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)ccc1-n1c2ccccc2c2cc(-c3nc(C)nc(C)n3)ccc21", "similarity": 0.5655430711610487}, {"SMILES": "c1ccc(-c2cc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)n3)cc(-c3ccccc3)n2)cc1", "similarity": 0.6343283582089553}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6c(c5)c5c7c(ccc5n6-c5ccccc5)c(-c5ccccc5)nc5ccccc57)cc4)c3)n2)cc1", "similarity": 0.7799043062200957}, {"SMILES": "c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c4ccccc4c3)n2)cc1", "similarity": 0.6081081081081081}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1", "similarity": 0.5867768595041323}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1c(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1", "similarity": 0.5668202764976958}, {"SMILES": "Fc1cccc(F)c1-c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(C(F)(F)F)c1-n1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21", "similarity": 0.6201550387596899}, {"SMILES": "CCc1nc2c3c(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1", "similarity": 0.5592417061611374}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1C", "similarity": 0.41784037558685444}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6ccc7ccc8ccccc8c7c6ccc54)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5942028985507246}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2c([N+]#[C-])cccc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc([N+]#[C-])cc4)ccc32)cc1", "similarity": 0.44516129032258067}, {"SMILES": "Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1", "similarity": 0.5967741935483871}, {"SMILES": "[C-]#[N+]c1cccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccc(C)cc2c2cc(C)ccc21", "similarity": 0.46774193548387094}, {"SMILES": "[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(C#N)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4cc(C#N)cc([N+]#[C-])c4)cc3c3cc(-c4cc([N+]#[C-])cc([N+]#[C-])c4)ccc32)c1", "similarity": 0.3970149253731343}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.766497461928934}, {"SMILES": "[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)cc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(-c3cccc(C)c3)ccc21", "similarity": 0.6097560975609756}, {"SMILES": "c1ccc(-c2ccc3c(c2)c(-c2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c2)nn3-c2ccccc2)cc1", "similarity": 0.6476683937823834}, {"SMILES": "[C-]#[N+]c1ccc(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c1", "similarity": 0.40809968847352024}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1", "similarity": 0.5703125}, {"SMILES": "[C-]#[N+]c1ccc(-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)c(-c2cc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.4185303514376997}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)n5)c4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7428571428571429}, {"SMILES": "c1ccc(-c2nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccccc3)n2)cc1", "similarity": 0.7746478873239436}, {"SMILES": "Clc1nc(-c2ccccc2)nc(-c2cccc3c4c5ccccc5ccc4n(-c4ccccc4)c23)n1", "similarity": 0.4077669902912621}, {"SMILES": "c1ccc(-c2ccc3cc4c(cc3c2)c2cc(-c3ccccc3)ccc2n4-c2nc(-c3ccccc3)c3ccccc3n2)cc1", "similarity": 0.5215311004784688}, {"SMILES": "c1ccc(-n2c3cccc(-c4nc(-n5c6cc(-c7ccc8ccccc8c7)ccc6c6cc7ccccc7cc65)nc5ccccc45)c3c3c4ccccc4ccc32)cc1", "similarity": 0.5125}, {"SMILES": "CC1C=C(c2nc(-c3ccccc3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)C=CC1c1nc2ccccc2c2c1c1ccccc1n2-c1ccccc1", "similarity": 0.5404255319148936}, {"SMILES": "N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21", "similarity": 0.6952380952380952}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc(-c3ccc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3)c3ccccc3n2)cc1", "similarity": 0.5530973451327433}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c(-c7ccccc7)nc7c8ccccc8ccc7c65)cc4)n3)c2)cc1", "similarity": 0.6866952789699571}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)c3)n2)cc1", "similarity": 0.6615384615384615}, {"SMILES": "C=CC=Cc1c(C)c2c(-c3ccccc3)nc3ccccc3c2n1-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)n2)cc1", "similarity": 0.5806451612903226}, {"SMILES": "C1=CCC=CC(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6c7ccccc7nc(-c7ccc8c9ccccc9c9ccccc9c8c7)c65)cc4)n3)cc2)=C1", "similarity": 0.5679012345679012}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7c8ccccc8nc(-c8ccccc8)c76)cc5)cc4)cc3)n2)cc1", "similarity": 0.6981132075471698}, {"SMILES": "Cc1cc(N2c3ccccc3C(c3ccccc3)(n3c4ccccc4c4ccccc43)c3ccccc32)cc(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5431034482758621}, {"SMILES": "CC1C=CC2=C(C1)c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6nc7ccccc7c7c6c6ccccc6n7-c6ccccc6)cc5)n4)cc3)cc1C2(C)C", "similarity": 0.5769230769230769}, {"SMILES": "N#CC1C=CC(c2nc(-c3ccc(-c4nc5ccccc5c5c4c4ccccc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4ccccc4)c3)n2)=CC1", "similarity": 0.591743119266055}, {"SMILES": "CC1CC=Cc2cc3nc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c4c(c3cc21)N(c1ccccc1)C1C=CC=CC41C", "similarity": 0.47186147186147187}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)c2)cc1", "similarity": 0.7285714285714285}, {"SMILES": "Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccccc2)n1", "similarity": 0.457286432160804}, {"SMILES": "C=Cc1c(C=C(C)c2nc(-c3ccccc3)cc(-c3ccc(-c4cccc5c4c4ccccc4n5C)cc3)n2)c2cc(C)ccc2n1-c1ccccc1", "similarity": 0.4824561403508772}, {"SMILES": "C=Cc1c(C=CC)c2ccccc2n1-c1cc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccccc32)c1", "similarity": 0.5855855855855856}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6ccc(-c7ccc(-c8nc(-c9ccc(-c%10ccccc%10)cc9)nc(-c9cccc(-c%10cccc%11c%10c%10ccccc%10n%11-c%10ccccc%10)c9)n8)cc7)cc6)cc5)cc4)n3)cc2)cc1", "similarity": 0.5045592705167173}, {"SMILES": "FC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1", "similarity": 0.505338078291815}, {"SMILES": "N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccccc1-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21", "similarity": 0.466403162055336}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21", "similarity": 0.58203125}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21", "similarity": 0.5848214285714286}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6c(-n7c8ccccc8c8cc9ccccc9cc87)c7ccccc7cc65)cc4)n3)cc2)cc1", "similarity": 0.6239669421487604}, {"SMILES": "c1ccc(-c2nc(-c3c(-n4c5ccccc5c5cc6ccc(-n7c8ccccc8c8ccc9ccccc9c87)cc6cc54)ccc4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1", "similarity": 0.5057471264367817}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c(-n7c8ccccc8c8ccc9ccccc9c87)cccc6cc54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1", "similarity": 0.611353711790393}, {"SMILES": "c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)c6ccccc6cc54)c4ccccc34)n2)cc1", "similarity": 0.5311203319502075}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5cc43)nc(-c3cc4ccccc4c4ccccc34)n2)cc1", "similarity": 0.524}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc7ccccc7cc65)c5ccccc45)n3)c2)cc1", "similarity": 0.5991735537190083}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-n5c6ccccc6c6c7ccccc7ccc65)ccc4c4cc5ccccc5cc43)n2)cc1", "similarity": 0.555045871559633}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-n5c6ccccc6c6ccc7ccccc7c65)ccc4c4cc5ccccc5cc43)n2)cc1", "similarity": 0.5409090909090909}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-n6c7ccccc7c7cc8cccc(-n9c%10ccccc%10c%10c%11ccccc%11ccc%109)c8cc76)ccc5c4)n3)c2)cc1", "similarity": 0.6398305084745762}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(-n6c7cc(-n8c9ccccc9c9c%10ccccc%10ccc98)ccc7c7cc8ccccc8cc76)cccc5c4)n3)c2)cc1", "similarity": 0.6329113924050633}, {"SMILES": "C=CC=CC(=C)c1cc(-c2ccccc2)cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(C(C=C)=CC=C)c(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c(-c4ccccc4)c3)n2)c1", "similarity": 0.6}, {"SMILES": "[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.6406926406926406}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21", "similarity": 0.44402985074626866}, {"SMILES": "CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc3-n3c4ccccc4c4cc(C(C)(C)C)ccc43)n2)cc(C(C)(C)C)c1", "similarity": 0.3797909407665505}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)ccc1-n1c2ccccc2c2cc(C)ccc21", "similarity": 0.3719298245614035}, {"SMILES": "[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)cc1", "similarity": 0.6143497757847534}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C#N)c3)c2-n2c3ccccc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1", "similarity": 0.5536480686695279}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C#N)c3)c2-n2c3ccccc3c3cc(-c4c(C#N)cc([N+]#[C-])cc4[N+]#[C-])ccc32)c1", "similarity": 0.5040322580645161}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3cccc(C#N)c3)c2-n2c3ccccc3c3cc(-c4ccc(C)cc4C)ccc32)c1", "similarity": 0.5470085470085471}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2C(F)(F)F)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1C(F)(F)F", "similarity": 0.5150214592274678}, {"SMILES": "[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C#N)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2C#N)c1", "similarity": 0.5397489539748954}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4[N+]#[C-])ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1", "similarity": 0.5300751879699248}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2ccccc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c([N+]#[C-])c1", "similarity": 0.4115853658536585}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3cccc(-c4ccc5c6c4N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)c3)cccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5714285714285714}, {"SMILES": "c1ccc(-n2c3ccccc3c3ccc(-c4nc(N5c6ccc7ccccc7c6-c6cccc7cccc5c67)nc5ccccc45)cc32)cc1", "similarity": 0.4605263157894737}, {"SMILES": "c1ccc(-c2ccc(-c3nc(N4c5c(ccc6ccccc56)-c5cccc6cccc4c56)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1", "similarity": 0.5201793721973094}, {"SMILES": "c1ccc(-c2nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc(N3c4c(ccc5ccccc45)-c4cccc5cccc3c45)n2)cc1", "similarity": 0.5133928571428571}, {"SMILES": "[C-]#[N+]c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(-c4cc5c6c(c4)N(c4ccc(-c7ccccc7)cc4)c4ccc(-c7ccccc7)cc4B6c4cc(-c6ccccc6)ccc4N5c4ccc(-c5ccccc5)cc4)ccc32)c1", "similarity": 0.5112540192926045}, {"SMILES": "FC(F)(F)c1ccc(-n2c3ccccc3c3cc(-c4cc5c6c(c4)N(c4ccc(-c7ccccc7)cc4)c4ccc(-c7ccccc7)cc4B6c4cc(-c6ccccc6)ccc4N5c4ccc(-c5ccccc5)cc4)ccc32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1", "similarity": 0.4952681388012618}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4B4c5ccccc5N(c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)cc3c54)c2)cc1", "similarity": 0.5245901639344263}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-c4ccc(-c5cc6c7c(c5)N(c5ccccc5)c5ccccc5B7c5ccccc5N6c5ccccc5)cc4)c3)n2)cc1", "similarity": 0.5306122448979592}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3ccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)cc3)c2)n1", "similarity": 0.5816326530612245}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4c5c3N(c3ccccc3)c3ccccc3B5c3ccccc3N4c3ccccc3)cc2)n1", "similarity": 0.55}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccc(N5c6ccccc6B6c7ccccc7N(c7ccccc7)c7cccc5c76)cc4)c3)n2)cc1", "similarity": 0.5681818181818182}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-c4ccc(-c5ccc(N6c7ccccc7B7c8ccccc8N(c8ccccc8)c8cccc6c87)cc5)cc4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5202702702702703}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc(N7c8ccccc8B8c9ccccc9N(c9ccccc9)c9cccc7c98)cc6)cc5)n4)c3)n2)cc1", "similarity": 0.5090361445783133}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-c4cc(-c5ccccc5)nc(-c5cccc(-c6ccc(N7c8ccccc8B8c9ccccc9N(c9ccccc9)c9cccc7c98)cc6)c5)n4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5235109717868338}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21", "similarity": 0.5964125560538116}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cc7c8c(c6)N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)c5)c4)c3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1", "similarity": 0.5}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc(-c4nc(N5c6c(ccc7ccccc67)-c6cccc7cccc5c67)nc5ccccc45)ccc32)cc1", "similarity": 0.48660714285714285}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4[N+]#[C-])ccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccc(-c4ccc([N+]#[C-])cc4C#N)cc3c3cc(-c4ccc(C#N)cc4[N+]#[C-])ccc32)cc1", "similarity": 0.42679127725856697}, {"SMILES": "[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1", "similarity": 0.5054151624548736}, {"SMILES": "[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21", "similarity": 0.6120689655172413}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)n3)cc2)cc1", "similarity": 0.5475113122171946}, {"SMILES": "c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)c2-c2ccccc2)cc1", "similarity": 0.56}, {"SMILES": "N#Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2ccc(C(F)(F)F)cc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C(F)(F)F)cc1", "similarity": 0.5347826086956522}, {"SMILES": "N#Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc32)c(C#N)c1", "similarity": 0.4398496240601504}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-n5c6ccccc6c6c(-n7c8ccccc8c8cc9ccccc9cc87)c7ccccc7cc65)cccc34)n2)cc1", "similarity": 0.5769230769230769}, {"SMILES": "N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccccc1-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3C#N)ccc21", "similarity": 0.49158249158249157}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc5ccccc45)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6428571428571429}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc5cccc6c5c4c4c(cc5ccccc5c43)-c3ccccc3-6)n2)cc1", "similarity": 0.46543778801843316}, {"SMILES": "c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1", "similarity": 0.5898617511520737}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)cc3)n2)cc1", "similarity": 0.5355450236966824}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)c4ccccc34)n2)cc1", "similarity": 0.5342465753424658}, {"SMILES": "c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1", "similarity": 0.6899563318777293}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7}, {"SMILES": "N#Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.6403508771929824}, {"SMILES": "Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.6711711711711712}, {"SMILES": "CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc4c(c3)c3ccccc3n4C3(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C4CC5CC(C4)CC3C5)ccc21", "similarity": 0.5102040816326531}, {"SMILES": "N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.6558139534883721}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)c1", "similarity": 0.6147186147186147}, {"SMILES": "c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3ccc(-n4c5ccccc5c5cc6cc(-n7c8ccccc8c8ccccc87)ccc6cc54)c4ccccc34)n2)cc1", "similarity": 0.5551020408163265}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c54)n3)c2)cc1", "similarity": 0.6772727272727272}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.5943775100401606}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6cc7ccccc7cc65)cc4)n3)c2)cc1", "similarity": 0.704225352112676}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3-n3c4cc5ccccc5cc4c4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc43)nc(-c3cc4ccccc4c4ccccc34)n2)cc1", "similarity": 0.5119047619047619}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7018348623853211}, {"SMILES": "c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1", "similarity": 0.7004608294930875}, {"SMILES": "Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21", "similarity": 0.5900900900900901}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc4c(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)cccc4c3)n2)cc1", "similarity": 0.6425339366515838}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.6077586206896551}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)cc(-c3cccc4ccccc34)n2)cc1", "similarity": 0.6197183098591549}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c43)c2)cc1", "similarity": 0.729064039408867}, {"SMILES": "c1ccc(-c2nc(-c3c(-n4c5ccccc5c5cc6ccc(-n7c8ccccc8c8cc9ccccc9cc87)cc6cc54)ccc4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1", "similarity": 0.5115384615384615}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.62882096069869}, {"SMILES": "c1ccc(-c2ccc(-c3ccc4c(c3)c3ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc3n4-c3cc4ccccc4c4ccccc34)cc2)cc1", "similarity": 0.6986301369863014}, {"SMILES": "FC(F)(F)c1cc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1", "similarity": 0.5991735537190083}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1", "similarity": 0.6343612334801763}, {"SMILES": "c1ccc(-c2nc(-c3ccc4ccc(-n5c6ccccc6c6c(-n7c8ccccc8c8cc9ccccc9cc87)c7ccccc7cc65)cc4c3)nc(-c3ccc4ccc5ccccc5c4c3)n2)cc1", "similarity": 0.5533596837944664}, {"SMILES": "c1ccc(-c2nc(-c3cc(-n4c5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c5cc6ccccc6cc54)c4ccccc4c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1", "similarity": 0.5057471264367817}, {"SMILES": "Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.6428571428571429}, {"SMILES": "CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)n2)cc(C(C)(C)C)c1", "similarity": 0.4727272727272727}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)cc1", "similarity": 0.6224066390041494}, {"SMILES": "CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)ccc3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc(C(C)(C)C)c1", "similarity": 0.4440677966101695}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2c(-c3ccc(C#N)cc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc([N+]#[C-])cc2C#N)cc1", "similarity": 0.48872180451127817}, {"SMILES": "[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc([N+]#[C-])c4)ccc2n3-c2c(-c3cccc(C#N)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc([N+]#[C-])c2)c1", "similarity": 0.4666666666666667}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1c(-c2ccccc2C#N)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1C#N", "similarity": 0.4767932489451477}, {"SMILES": "[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc2n3-c2c(-c3ccccc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2C#N)c([N+]#[C-])c1", "similarity": 0.43462897526501765}, {"SMILES": "[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1", "similarity": 0.6807511737089202}, {"SMILES": "[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc([N+]#[C-])c4)ccc2n3-c2c(-c3ccccc3C#N)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2C#N)c1", "similarity": 0.4721189591078067}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C#N)c3)c2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1", "similarity": 0.6196581196581197}, {"SMILES": "[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccc(-c4cc(C#N)cc([N+]#[C-])c4)cc3c3cc(-c4cc(C#N)cc([N+]#[C-])c4)ccc32)cc1", "similarity": 0.47761194029850745}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1", "similarity": 0.6138211382113821}, {"SMILES": "[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccccc1-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21", "similarity": 0.49158249158249157}, {"SMILES": "FC(F)(F)c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(-c3cc4c5c(c3)N(c3ccc(-c6ccccc6)cc3)c3ccc(-c6ccccc6)cc3B5c3cc(-c5ccccc5)ccc3N4c3ccc(-c4ccccc4)cc3)ccc21", "similarity": 0.5047619047619047}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cccc6c5c5c7c(ccc(-c8ccccc8)c7ccc54)-c4ccccc4-6)c4ccccc4c3)n2)cc1", "similarity": 0.6018099547511312}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c8c6N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)c5)n4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5379746835443038}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)cc(-c2ccc(-c3ccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)cc3)cc2)n1", "similarity": 0.604982206405694}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-c3cccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)c3)cc2)cc1", "similarity": 0.5947955390334573}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c7c5N(c5ccccc5)c5ccccc5B7c5ccccc5N6c5ccccc5)c4)c3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1", "similarity": 0.5}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)c3)c2)n1", "similarity": 0.5936395759717314}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)cc(-c3cccc(-c4cccc(N5c6ccccc6B6c7ccccc7N(c7ccccc7)c7cccc5c76)c4)c3)n2)cc1", "similarity": 0.5580645161290323}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6c4N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)cc3)n2)cc1", "similarity": 0.6145833333333334}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cc7c8c(c6)N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)cc5)n4)c3)n2)cc1", "similarity": 0.6137184115523465}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)cc(-c3cccc(-c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)c3)n2)cc1", "similarity": 0.509375}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6ccc7c8c6N(c6ccccc6)c6ccccc6B8c6ccccc6N7c6ccccc6)c5)c4)c3-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.5431654676258992}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccc(-c2cccc(N3c4ccccc4B4c5ccccc5N(c5ccccc5)c5cccc3c54)c2)cc1", "similarity": 0.5779467680608364}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3cccc(-c4ccc(N5c6ccccc6B6c7ccccc7N(c7ccccc7)c7cccc5c76)cc4)c3)cccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5888888888888889}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(N5c6ccccc6B6c7ccccc7N(c7ccccc7)c7cccc5c76)c4)c3)n2)cc1", "similarity": 0.5580645161290323}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3ccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)cc3)c2)n1", "similarity": 0.5870307167235495}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)cc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1", "similarity": 0.4605263157894737}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(N5c6ccccc6B6c7ccccc7N(c7ccccc7)c7cccc5c76)c4)c3)n2)cc1", "similarity": 0.603448275862069}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccc(-c2ccc3c4c2N(c2ccccc2)c2ccccc2B4c2ccccc2N3c2ccccc2)cc1", "similarity": 0.5613382899628253}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)cc(-c2cccc(-c3ccc4c5c3N(c3ccccc3)c3ccccc3B5c3ccccc3N4c3ccccc3)c2)n1", "similarity": 0.5353535353535354}, {"SMILES": "CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4c5c3N(c3ccccc3)c3ccccc3B5c3ccccc3N4c3ccccc3)cc2)n1", "similarity": 0.5604026845637584}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc(-c5ccc(N6c7ccccc7B7c8ccccc8N(c8ccccc8)c8cccc6c87)cc5)cc4)c3)n2)cc1", "similarity": 0.5807692307692308}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)cc(-c3cccc(-c4cccc(N5c6ccccc6B6c7ccccc7N(c7ccccc7)c7cccc5c76)c4)c3)n2)cc1", "similarity": 0.55}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cccc(-c5cccc(N6c7ccccc7B7c8ccccc8N(c8ccccc8)c8cccc6c87)c5)c4)c3)n2)cc1", "similarity": 0.5930232558139535}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)cc(-c2cccc(-c3cccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)c3)c2)n1", "similarity": 0.5392491467576792}, {"SMILES": "c1ccc(-c2ccc(-c3nc(N4c5ccc6ccccc6c5-c5cccc6cccc4c56)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1", "similarity": 0.5201793721973094}, {"SMILES": "c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1", "similarity": 0.5825688073394495}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c54)c3)n2)cc1", "similarity": 0.6794258373205742}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(C)c1", "similarity": 0.6504424778761062}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)c5c6ccccc6n(-c6ccc7c8ccccc8c8ccccc8c7c6)c5c4)n3)cc2)cc1", "similarity": 0.6866359447004609}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc(-c6nc(-c7ccccc7)cc(-c7cccc(-c8ccc9cccc(-n%10c%11ccccc%11c%11ccc%12c(c%13ccccc%13n%12-c%12cccc(-c%13cc(-c%14ccccc%14)nc(-c%14ccccc%14)n%13)c%12)c%11%10)c9c8)c7)n6)c5)c43)c2)cc1", "similarity": 0.4783861671469741}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6c8ccccc8ccc6n7-c6ccccc6)ccc54)c3)n2)cc1", "similarity": 0.7285714285714285}, {"SMILES": "Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2)c1", "similarity": 0.6291666666666667}, {"SMILES": "C=CC=CC(=C)c1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c(-c4ccc(-c5ccccc5)cc4)c3)n2)c1", "similarity": 0.6138996138996139}, {"SMILES": "c1ccc(-c2ccc(-c3ccc4c(c3)c3ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc3n4-c3cccc4ccccc34)cc2)cc1", "similarity": 0.7142857142857143}, {"SMILES": "O=c1n(-c2ccccc2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2c2cc3ccccc3n12", "similarity": 0.6139534883720931}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1", "similarity": 0.5737051792828686}, {"SMILES": "c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)c4)c32)cc1", "similarity": 0.5726872246696035}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1", "similarity": 0.6428571428571429}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)c4)n3)cc2)cc1", "similarity": 0.7205882352941176}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7-c7ccccc7)c6ccc54)cc3)n2)cc1", "similarity": 0.6714285714285714}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc5ccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cc5c4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.6962616822429907}, {"SMILES": "N#Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.6846846846846847}, {"SMILES": "c1ccc(-c2cc(-c3ccc4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)ccc4c3)nc(-c3ccccc3-c3cccc(-c4ccc5c6ccc7c(c8ccccc8n7-c7ccc8c(-c9nc(-c%10cccc%11ccccc%10%11)cc(-c%10cccc%11ccccc%10%11)n9)cccc8c7)c6n(-c6ccccc6)c5c4)c3)c2)cc1", "similarity": 0.37593984962406013}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)c5ccccc45)n3)c2)cc1", "similarity": 0.6805555555555556}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1", "similarity": 0.5243445692883895}, {"SMILES": "Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1", "similarity": 0.6090534979423868}, {"SMILES": "Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3cccc(C#N)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cccc(C#N)c2)c1", "similarity": 0.5859030837004405}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)cc(-c3cccc4ccccc34)n2)cc1", "similarity": 0.5825688073394495}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7-c7ccccc7)c6cc54)cc3)n2)cc1", "similarity": 0.6794258373205742}, {"SMILES": "C=CC1=C(C=CC)C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccc3c(ccc4c5ccccc5n(-c5ccccc5)c34)c21", "similarity": 0.47085201793721976}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(C4c5ccccc5-c5c(n(-c6ccccc6)c6ccccc56)-c5ccccc54)c3)n2)cc1", "similarity": 0.6066350710900474}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1", "similarity": 0.6794258373205742}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc7ccccc67)c45)n3)cc2)cc1", "similarity": 0.6282051282051282}, {"SMILES": "FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21", "similarity": 0.5504201680672269}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c3)n2)cc1", "similarity": 0.5993031358885017}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1", "similarity": 0.6475770925110133}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(C3(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)C4CC5CC(C4)CC3C5)n2)cc1", "similarity": 0.4660633484162896}, {"SMILES": "Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1", "similarity": 0.6651785714285714}, {"SMILES": "FC(F)(F)c1ccc(-c2ccc3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4n(-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1", "similarity": 0.505338078291815}, {"SMILES": "Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.6224066390041494}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1", "similarity": 0.4682274247491639}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1", "similarity": 0.6728110599078341}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c4)n3)cc2)cc1", "similarity": 0.6521739130434783}, {"SMILES": "FC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1", "similarity": 0.6125}, {"SMILES": "N#Cc1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C#N)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2C#N)c(C#N)c1", "similarity": 0.5101214574898786}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.5674603174603174}, {"SMILES": "FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1", "similarity": 0.5439330543933054}, {"SMILES": "c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4cccc5ccccc45)n3)cc2)cc1", "similarity": 0.59375}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccc5ccccc5c4)c3)n2)cc1", "similarity": 0.6197183098591549}, {"SMILES": "c1ccc(-c2ccccc2-c2cc(-c3cccc(-c4ccc5c(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8cccc(-c9nc(-c%10cccc%11ccccc%10%11)cc(-c%10cccc%11ccccc%10%11)n9)c8)c76)cccc5c4)c3)cc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7ccccc7c6)c45)c3)n2)cc1", "similarity": 0.37593984962406013}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7ccccc7c6)c54)cc3)cc(-c3cccc4ccccc34)n2)cc1", "similarity": 0.5866666666666667}, {"SMILES": "c1ccc(-c2ccc3c4ccc5ccccc5c4n(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1", "similarity": 0.5882352941176471}, {"SMILES": "c1ccc(-c2ccccc2-c2nc(-c3cccc4ccccc34)nc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccc7ccccc7c65)c5ccccc5cc43)n2)cc1", "similarity": 0.5}, {"SMILES": "c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c4ccccc34)n2)cc1", "similarity": 0.600896860986547}, {"SMILES": "[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2ccccc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])cc3c3cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc32)c([N+]#[C-])c1", "similarity": 0.38}, {"SMILES": "Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1", "similarity": 0.6636771300448431}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6ccc7ccccc7c6n(-c6ccccc6)c45)n3)cc2)cc1", "similarity": 0.5960591133004927}, {"SMILES": "FC(F)(F)c1cc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1", "similarity": 0.5925925925925926}, {"SMILES": "CC=CC(=CC)c1cc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c(-c3cccc(-n4c5ccccc5c5cc(-c6ccc(C)cc6C)ccc54)c3)c2)nc(-c2ccccc2)n1", "similarity": 0.4774436090225564}, {"SMILES": "C1=CCC(c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-n4c5ccc(-c6ccccc6)cc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c(-c4ccc(-c5ccccc5)cc4)c3)n2)C=C1", "similarity": 0.5842696629213483}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4cc5ccccc5cc4-6)cc3)n2)cc1", "similarity": 0.5483870967741935}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4[N+]#[C-])ccc2n3-c2c(-c3ccc(C#N)cc3C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc([N+]#[C-])cc2C#N)c(C#N)c1", "similarity": 0.4146341463414634}, {"SMILES": "C1=Cc2cccc3c4ccccc4n(c23)-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21", "similarity": 0.4930232558139535}, {"SMILES": "N#Cc1c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21", "similarity": 0.6335877862595419}, {"SMILES": "C1=CCC(c2nc(C3=CC=C(N4c5ccccc5-c5c(n(-c6ccccc6)c6ccccc56)-c5ccccc54)CC3)cc(-c3ccccc3)n2)C=C1", "similarity": 0.43037974683544306}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1", "similarity": 0.5737704918032787}, {"SMILES": "Cc1cc(C)nc(-c2c(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)cc(C#N)cc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)n1", "similarity": 0.36769759450171824}, {"SMILES": "Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.6024590163934426}, {"SMILES": "c1ccc2c(c1)ccc1cc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)cc(-c6ncncn6)c6ccc8ccc(-c9ncncn9)cc8c67)ccc54)n3)c3ccccc3c12", "similarity": 0.44554455445544555}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1", "similarity": 0.5708661417322834}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccc7c(c6)c6cccc(-c8ccccc8)c6n7-c6ccccc6)c5)cc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.7511961722488039}, {"SMILES": "C=C(C)C=CC1=C(C)N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc2-c2c1n(-c1ccccc1)c1ccccc21", "similarity": 0.5405405405405406}, {"SMILES": "FC(F)(F)c1ccc2c3ccccc3n(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.6289592760180995}, {"SMILES": "N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1", "similarity": 0.42024539877300615}, {"SMILES": "C1=CC2=c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C=CCC=C5)c3=C3C=CC(c4cc(-c5ccccc5)nc(-c5ccccc5)n4)=CC3C2C=C1", "similarity": 0.5252100840336135}, {"SMILES": "Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1", "similarity": 0.641860465116279}, {"SMILES": 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"c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5c6ccccc6ccc54)c4c(-c5ccccc5)cccc34)n2)cc1", "similarity": 0.5789473684210527}, {"SMILES": "N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1c(-c2ccccc2C#N)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccccc1C#N", "similarity": 0.544}, {"SMILES": "c1ccc(-c2ccc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)c3c2)cc1", "similarity": 0.6036866359447005}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)c4cccc(-c5ccccc5)c34)n2)cc1", "similarity": 0.589041095890411}, {"SMILES": "N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccc(C(F)(F)F)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C(F)(F)F)cc2)c1", "similarity": 0.5409836065573771}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccc(C#N)cc3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C#N)cc2)c(C)c1", "similarity": 0.5423728813559322}, {"SMILES": 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"c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc3ccccc23)cc1", "similarity": 0.4612903225806452}, {"SMILES": "Cc1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c1", "similarity": 0.5271966527196653}, {"SMILES": "c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c4ccccc4c3)n2)cc1", "similarity": 0.45081967213114754}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)c4)c3)n2)cc1", "similarity": 0.49137931034482757}, {"SMILES": "CC1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=Cc2c(c3ccccc3n2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C1", "similarity": 0.5509259259259259}, {"SMILES": "FC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(C(F)(F)F)c1", "similarity": 0.5102040816326531}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5[N+]#[C-])cc4n(-c4c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C(F)(F)F)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C#N)c1", "similarity": 0.5353159851301115}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1", "similarity": 0.5290102389078498}, {"SMILES": "C1=CC(c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)Cc2c1n(-c1ccc3c(ccc4ccccc43)c1)c1ccccc21", "similarity": 0.42524916943521596}, {"SMILES": "Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(C(F)(F)F)c1", "similarity": 0.7534883720930232}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)c5ccccc45)nc4cc(-c5ccccc5)c(-c5ccccc5)cc34)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3nc(-c4ccc5ccccc5c4)c4cc(-c5ccccc5)c(-c5ccccc5)cc4n3)c3ccccc23)cc1", "similarity": 0.34965034965034963}, {"SMILES": "c1ccc(-c2ccc(-c3ccc4nc(-c5ccc(-n6c7cc8ccccc8cc7c7c8ccccc8ccc76)cc5)nc(-c5ccc6ccccc6c5)c4c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5cc6ccccc6cc5c5c6ccccc6ccc54)nc4ccc(-c5ccc6ccccc6c5)cc34)cc2)cc1", "similarity": 0.3877005347593583}, {"SMILES": "[C-]#[N+]c1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C#N)c3)c2-n2c3ccccc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)c1", "similarity": 0.5311203319502075}, {"SMILES": "c1ccc(-c2cccc(N(c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)c2)cc1.c1ccc(N(c2cc(-c3ccc4c5c6ccccc6c6ccccc6c5n(-c5ccccc5)c4c3)cc(N(c3ccccc3)c3ccc4ccccc4c3)c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccccc2)c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(N(c3ccccc3)c3cccc4ccccc34)n2)cc1", "similarity": 0.26677577741407527}, {"SMILES": "c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1", "similarity": 0.3653061224489796}, {"SMILES": "Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1c(-c2ccccc2C#N)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1C#N", "similarity": 0.47478991596638653}, {"SMILES": "c1ccc(-c2cc3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4)nc(-c4ccccc4)c3cc2-c2ccccc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc45)nc4cc(-c5ccccc5)ccc34)cc2)cc1", "similarity": 0.4297752808988764}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1", "similarity": 0.354251012145749}, {"SMILES": "Cc1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)cc1", "similarity": 0.49224806201550386}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)c4ccccc34)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6c(-c6ccccc6)cc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccc6ccccc6c5c5c6ccccc6c(-c6ccccc6)cc54)c3)n2)cc1", "similarity": 0.3333333333333333}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1", "similarity": 0.5045592705167173}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)n3)c2)cc1", "similarity": 0.4778761061946903}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1", "similarity": 0.5245901639344263}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)n2)cc1", "similarity": 0.5}, {"SMILES": "CC.CC.CC.CC.CC.Cc1nc(CN(C)c2ccc3c(ccc4ccccc43)c2-c2ccccc2)nc2ccccc12.Cc1nc(Cn2c3ccccc3c3cc(-c4ccccc4)ccc32)nc2ccccc12", "similarity": 0.4772727272727273}, {"SMILES": "Cc1ccc(-c2cc(-c3ccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3C)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccccc1-c1cc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c(C)c2)nc(-c2ccccc2C)n1.Cc1ccccc1-c1cc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)nc(-c2ccccc2C)n1", "similarity": 0.24552845528455283}, {"SMILES": "Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)cc4)ccc32)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)ccc54)cc3)nc3ccccc23)cc1", "similarity": 0.40102827763496146}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5c6ccccc6c6ccccc6c5cc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)n2)cc1", "similarity": 0.6866359447004609}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5cccc6ccc7cccc4c7c65)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6cccc7ccc8cccc5c8c76)cc4)c3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6ccc7cccc4c7c65)cc3)n2)cc1", "similarity": 0.417910447761194}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)n2)cc1", "similarity": 0.3}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc43)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.428927680798005}, {"SMILES": "Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1", "similarity": 0.2652439024390244}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc43)cc2)cc1", "similarity": 0.3193430656934307}, {"SMILES": "c1ccc(-c2ccc(-c3ccccc3)c(-c3cc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc(-c4cccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)n3)c2)cc1.c1ccc(-c2ccccc2-c2cccc(-c3cc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc(-c4cccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)n3)c2)cc1", "similarity": 0.20817843866171004}, {"SMILES": "[C-]#[N+]c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.[HH]", "similarity": 0.5915492957746479}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)c3)cc(-c3ccc4ccccc4c3)n2)cc1", "similarity": 0.36363636363636365}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccccc2[Ge](c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.27411167512690354}, {"SMILES": "c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5ccc(-c6ccccc6)cc5n(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc8ccccc8c7)cc6)n5)c4c3)cc2)cc1.c1ccc(-c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4n(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7ccccc7c6)cc5)n4)c3c2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c5ccc(-c6ccccc6)cc5n(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc8ccccc8c7)cc6)n5)c4c3)c2)cc1", "similarity": 0.265}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)cc1", "similarity": 0.6681034482758621}, {"SMILES": "CCCCCCCCCCCCc1ccc(-c2nc(-c3cccc(C)c3)nc(-c3cccc(C)c3)n2)cc1.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccccc2)cc1.Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)n2)cc1", "similarity": 0.3819628647214854}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)c4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5N(c5ccccc5)c5ccccc5)c4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1", "similarity": 0.31861804222648754}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3)n2)cc1", "similarity": 0.4490861618798956}, {"SMILES": "c1ccc(-c2nc(-n3c4ccccc4c4cccc(-c5ccccc5)c43)nc(-n3c4ccccc4c4cccc(-c5ccccc5)c43)n2)cc1", "similarity": 0.5416666666666666}, {"SMILES": "c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)cc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)n2)cc1", "similarity": 0.21722846441947566}, {"SMILES": "c1ccc(-c2ccc(-c3ccc4nc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc8ccccc8cc76)cc5)nc(-c5ccc6ccccc6c5)c4c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c(-c7ccccc7)cccc65)cc4)nc4cc(-c5ccc6ccccc6c5)ccc34)cc2)cc1", "similarity": 0.4005102040816326}, {"SMILES": "Cc1ccc(-n2c3cc(-c4ccccc4C)ccc3c3ccc(-c4ccccc4C)cc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4cc(-c5ccccc5C)ccc4c4ccc(-c5ccccc5C)cc43)n2)c1", "similarity": 0.4421768707482993}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7-c7ccccc7)c6cc54)n3)c2)cc1", "similarity": 0.6547085201793722}, {"SMILES": "CC(C)(C)c1cc2ccccc2c2ccccc12.CC(C)(C)c1cc2ccccc2n1-c1ccccc1.CC(C)(C)c1ccc2c(ccc3ccccc32)c1.CC(C)(C)c1ccc2ccc3ccccc3c2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.37815126050420167}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4ccc(C)cc4-c4nc(-c5ccccc5)nc(-c5cc(C(F)(F)F)ccc5-n5c6ccccc6c6ccc(-c7cccc([N+]#[C-])c7)cc65)n4)c3c2)c1", "similarity": 0.4828897338403042}, {"SMILES": "CCC(Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc(C5=CCCC=C5)cc4)n3)c2c1C)c1ccccc1", "similarity": 0.5168067226890757}, {"SMILES": "CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)n2)cc1", "similarity": 0.6124401913875598}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)n2)cc1", "similarity": 0.47039473684210525}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6c5c5ccccc5n6-c5ccc6ccccc6c5)cc4)n3)cc2)cc1", "similarity": 0.6465116279069767}, {"SMILES": "N#Cc1ccc(-c2ccc3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)cc4)nc(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)cc4)nc(-c4ccc5ccccc5c4)c3c2)cc1", "similarity": 0.4277456647398844}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)cc6)cc5)n4)cc3)c2)cc1", "similarity": 0.7511961722488039}, {"SMILES": "[C-]#[N+]c1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc(C(F)(F)F)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.5680933852140078}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc5c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cccc5c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cccc5c4)n3)cc2)cc1", "similarity": 0.448}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C(F)(F)F)cc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21", "similarity": 0.4253731343283582}, {"SMILES": "[C-]#[N+]c1cccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c4c5ccccc5c5ccccc5c4c3)n2)c1", "similarity": 0.6342592592592593}, {"SMILES": "[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4[N+]#[C-])ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2c(-c3ccc(C#N)cc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccc([N+]#[C-])cc2)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccc(C#N)cc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccc([N+]#[C-])cc2)cc1", "similarity": 0.285958904109589}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.2917369308600337}, {"SMILES": "N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21", "similarity": 0.5739130434782609}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)nc(-c3ccc4ccccc4c3)c2)cc1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1", "similarity": 0.44857142857142857}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-c6cc7ccccc7c7ccccc67)nc(-c6ccccc6)n5)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-c6ccc7ccc8cccc9ccc6c7c89)nc(-c6ccccc6)n5)c4)c3c2)cc1", "similarity": 0.25880551301684535}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C)ccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c(C(F)(F)F)c1", "similarity": 0.460431654676259}, {"SMILES": "N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2nc(-c3c(-c4ccccc4)c(-c4ccccc4)c(C#N)c(-c4ccccc4)c3-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)c(-c2ccccc2)c1-c1ccccc1", "similarity": 0.4430769230769231}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5)c4)n3)cc2)cc1", "similarity": 0.43099273607748184}, {"SMILES": "Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1.Cc1cccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.29572649572649573}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)n2)cc1", "similarity": 0.34970530451866405}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccccc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccccc2-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1", "similarity": 0.2946593001841621}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)cc3)cc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)cc3)n2)cc1", "similarity": 0.4140625}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)cc4)cc3)n2)cc1", "similarity": 0.48}, {"SMILES": "c1ccc(-c2cc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7681159420289855}, {"SMILES": "FB=S.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1", "similarity": 0.5384615384615384}, {"SMILES": "c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3cccc4ccccc34)n2)cc1", "similarity": 0.2564935064935065}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5c5ccccc5n6-c5ccccc5)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5c5ccccc5n6-c5ccccc5)cc4)cc3)n2)cc1", "similarity": 0.5181818181818182}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6cccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)c6)nc(-c6cccc(-c7cccc8ccccc78)c6)n5)cc4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6cccc(-c7cccc8ccccc78)c6)nc(-c6cccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)c6)n5)cc4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cccc(-c6cccc(-c7nc(-c8cccc(-c9cccc(-c%10ccccc%10)c9)c8)nc(-c8cccc(-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)n7)c6)c5)cc4)c3)c2)cc1", "similarity": 0.2576419213973799}, {"SMILES": "Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1", "similarity": 0.6170212765957447}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1", "similarity": 0.5}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc5c(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cccc45)nc4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc5c(-n6c7ccc8ccccc8c7c7c8ccccc8c(-c8ccccc8)cc76)cccc45)nc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3cccc4c(-n5c6ccc7c(-c8ccccc8)cccc7c6c6c7ccccc7c(-c7ccccc7)cc65)cccc34)nc3ccccc23)cc1", "similarity": 0.25704225352112675}, {"SMILES": "Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1", "similarity": 0.5757575757575758}, {"SMILES": "[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3cccc(C#N)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cccc([N+]#[C-])c2)c1.[C-]#[N+]c1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3cccc(C#N)c3)c2-n2c3ccc(-c4ccc([N+]#[C-])cc4C#N)cc3c3cc(-c4ccc(C#N)cc4[N+]#[C-])ccc32)c1.[C-]#[N+]c1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3cccc(C#N)c3)c2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4[N+]#[C-])ccc32)c1", "similarity": 0.27666666666666667}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccc9nc(-c%10ccccc%10)c%10cccc(-c%11ccccc%11)c%10c9c8)n7)c6)cc5)cc4)cc(-c4ccc5nc(-c6ccccc6)c6cccc(-c7ccccc7)c6c5c4)n3)cc2)cc1", "similarity": 0.4606413994169096}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6c5[Si](c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6c5[Si](c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)cc3)n2)cc1", "similarity": 0.44146341463414634}, {"SMILES": "c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7cccc(-c8ccccc8)c7)nc(-c7ccccc7)n6)ccc54)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.40714285714285714}, {"SMILES": "c1ccc(-c2ccc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7N(c7ccccc7)c7ccccc7)c6)n5)c34)cc2)cc1.c1ccc(-c2cccc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c6)n5)c34)c2)cc1", "similarity": 0.4230769230769231}, {"SMILES": "c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc1", "similarity": 0.4086294416243655}, {"SMILES": "c1ccc(-c2ccc3c4c(-c5cccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5)cccc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2cccc(-n3c4cccc(-c5ccccc5)c4c4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc43)c2)cc1", "similarity": 0.47413793103448276}, {"SMILES": "C#C.Cc1nc(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4c5c(c6ccccc6n5-c5ccccc5)c5c(c6ccccc6n5-c5ccccc5)c43)cc2)n1", "similarity": 0.5474137931034483}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6c5c5ccccc5n6-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc21", "similarity": 0.6009174311926605}, {"SMILES": "c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cccc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)ccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3cc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc4ccccc34)n2)cc1", "similarity": 0.40105540897097625}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c56)c4)n3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc(-c6cc(-c7cccc8ccccc78)cc(-c7ccccc7)n6)c5)c43)c2)cc1", "similarity": 0.42597402597402595}, {"SMILES": "c1ccc(-c2cc(-c3ccc4ccc(-c5ccc6c(c5)c5cc7c(-c8ccccc8)nc8ccccc8c7cc5n6-c5ccccc5)cc4c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.7023255813953488}, {"SMILES": "[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(C#N)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1", "similarity": 0.614406779661017}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c1", "similarity": 0.477124183006536}, {"SMILES": "Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)cc1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3cc(C)ccc32)cc1", "similarity": 0.4586894586894587}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.3525641025641026}, {"SMILES": "Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1.Cc1cccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1", "similarity": 0.2979452054794521}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5cc(-c6ccccc6-c6ccccc6)ccc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccccc2-c2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3c2)cc1", "similarity": 0.3787528868360277}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)cc1.Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3C(F)(F)F)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2C(F)(F)F)c1", "similarity": 0.2847457627118644}, {"SMILES": "c1ccc(-c2ccc(-c3cccc4c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)c34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cccc(-c7ccc(-c8ccccc8)cc7)c65)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cccc(-c6ccc(-c7ccccc7)cc6)c54)nc4ccccc34)cc2)cc1", "similarity": 0.3276595744680851}, {"SMILES": "c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)c6ccccc56)nc5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)c6ccccc56)nc5ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cccc45)nc4ccccc34)cc2)cc1", "similarity": 0.27007299270072993}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C)c1.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C)c1", "similarity": 0.35176991150442477}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)cc(-c4ccccc4)n3)c2)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)cc4)c23)cc1", "similarity": 0.4383561643835616}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc45)nc4cc(-c5ccc6ccccc6c5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc45)nc4ccc(-c5ccc6ccccc6c5)cc34)cc2)cc1", "similarity": 0.36989795918367346}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)cc4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccccc5N(c5ccccc5)c5ccccc5)cc4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1", "similarity": 0.31861804222648754}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc2C3)cc1", "similarity": 0.6323529411764706}, {"SMILES": "Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.Cc1ccccc1-c1cc(-c2c(C)cc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2C)nc(-c2ccccc2C)n1.Cc1ccccc1-c1cc(-c2cc(C)c(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2C)nc(-c2ccccc2C)n1", "similarity": 0.24394184168012925}, {"SMILES": "CC1(C)c2ccccc2-c2cc3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4n(-c4cccc(-c5cc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5)c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5cccc(-c6cc(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c6)c5)n4)c3cc21", "similarity": 0.41362530413625304}, {"SMILES": "c1ccc(-n2c3ccccc3c3c4c5ccccc5c(-c5cc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)cc4c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5c(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5c(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)cc4c4ccccc4c32)cc1", "similarity": 0.27941176470588236}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)n2)cc1", "similarity": 0.4357682619647355}, {"SMILES": "CC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc32)cc1.CCCCCCCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc32)cc1", "similarity": 0.43832020997375326}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)cc4)n3)c2)cc1", "similarity": 0.354251012145749}, {"SMILES": "c1ccc(-c2cc(-c3cccc4c(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cccc34)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)c4)n3)cc2)cc1.c1ccc2cc(-c3cc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1", "similarity": 0.3401639344262295}, {"SMILES": "c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)n3)cc2)cc1", "similarity": 0.4358288770053476}, {"SMILES": "Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.6171171171171171}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)cc1", "similarity": 0.3525641025641026}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5cccc(-c6ccccc6)c5)cc4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc2cc(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5cccc6ccccc56)cc4)n3)ccc2c1", "similarity": 0.3907766990291262}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4nc(-c4ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc4)c4ccc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4nc(-c4ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc4)c4ccc6ccccc6c45)c3)n2)cc1.c1ccc(-c2ccc3nc(-c4cccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)c4)c4ccc5ccccc5c4c3c2)cc1", "similarity": 0.2982758620689655}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4c(-c5ccccc5)cc(-c5ccccc5)cc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4cccc(-c5ccccc5)c4c4c(-c5ccccc5)cccc43)cc2)cc1", "similarity": 0.22517482517482518}, {"SMILES": "C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4cc3-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)n2)cc1", "similarity": 0.5112107623318386}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2)cc1", "similarity": 0.45892351274787535}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-n5c6ccccc6c6cc(-c7ccc(C)cc7)ccc65)c4)c3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.5641891891891891}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1", "similarity": 0.48398576512455516}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6nc7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c7c6ccc6ccccc67)cc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6nc7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c7c6ccc6ccccc67)cc5)cc4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.35668789808917195}, {"SMILES": "c1ccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-c3ccccc3)n2)cc1", "similarity": 0.751131221719457}, {"SMILES": "CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.7031963470319634}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)cc2)cc1", "similarity": 0.5176991150442478}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.4954682779456193}, {"SMILES": "[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2)cc1", "similarity": 0.45892351274787535}, {"SMILES": "Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(C)c1", "similarity": 0.5}, {"SMILES": "c1ccc(-c2ccccc2-c2ccc(-c3nc(-n4c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1", "similarity": 0.5311203319502075}, {"SMILES": "N#Cc1ccc2c3c1ccc1c(-c4cc5ccc6cc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc7ccc(c4)c5c67)ccc(c13)n2-c1ccccc1.N#Cc1ccc2c3c1ccc1c(-c4cc5ccc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc7ccc(c4)c5c67)ccc(c13)n2-c1ccccc1", "similarity": 0.46089385474860334}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)c2)cc1", "similarity": 0.5244444444444445}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cccc5ccc6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc3c6c54)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5cccc6ccc7c(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc4c7c65)c3)cc2)cc1", "similarity": 0.431266846361186}, {"SMILES": "[C-]#[N+]c1cc(C#N)ccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(C)c2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cccc(C(F)(F)F)c1", "similarity": 0.5311203319502075}, {"SMILES": "[C-]#[N+]c1ccc(-c2nc(-n3c4ccc(-c5ccccc5)cc4c4cc5ccccc5cc43)nc3ccc(-c4ccc(-c5ccccc5)cc4)cc23)cc1.c1ccc(-c2ccc(-c3ccc4c(-c5cccc6ccccc56)nc(-n5c6ccc(-c7ccc(-c8ccccc8)cc7)cc6c6cc7ccccc7cc65)nc4c3)cc2)cc1", "similarity": 0.37595907928388744}, {"SMILES": "c1ccc(-c2ccc3ccc(-c4ccc5c(ccc6c5c5ccccc5n6-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)cc3c2)cc1.c1ccc(-c2ccc3ccc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3c2)cc1", "similarity": 0.4623955431754875}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4cccc5c4nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c3nc(-c3ccccc3)c3cccc(-c5ccccc5)c34)n2)cc1", "similarity": 0.3359840954274354}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc43)n2)cc1", "similarity": 0.40714285714285714}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)nc(-c3cccc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c5ccccc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1", "similarity": 0.432}, {"SMILES": "c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1", "similarity": 0.35180722891566263}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)c3)n2)cc1", "similarity": 0.3577075098814229}, {"SMILES": "Cc1ccccc1.Cc1nc(Cc2ccc(-c3cc(-c4ccccc4)ccc3-n3c4ccccc4c4ccccc43)cc2)nc(Cn2c3ccccc3c3cccc(-c4ccccc4)c32)n1", "similarity": 0.540650406504065}, {"SMILES": "CCc1cc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.46932515337423314}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)cc4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)cc4)c3)n2)cc1", "similarity": 0.4605263157894737}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1", "similarity": 0.49162011173184356}, {"SMILES": "CC1CC=Cc2c1c1cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5C4C=CC=CC4)cc3)ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5281385281385281}, {"SMILES": "[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1c(-c2ccc(C)cc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C(F)(F)F)cc1", "similarity": 0.4872881355932203}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6cccc(-c7cccc8ccccc78)c6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)cc4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)nc(-c6cccc(-c7cccc8ccccc78)c6)n5)cc4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6cccc(-c7cccc8ccccc78)c6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)cc4)c3)c2)cc1", "similarity": 0.29949238578680204}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc1", "similarity": 0.5773195876288659}, {"SMILES": "CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.6781115879828327}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-n4c5ccc(-c6ccc(C)cc6C)cc5c5cc(-c6ccc(C)cc6C)ccc54)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)c1", "similarity": 0.46418338108882523}, {"SMILES": "Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5cc(-c6ccccc6C)ccc54)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1", "similarity": 0.5641891891891891}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7ccccc7c6)c45)c4ccccc4c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5c4)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.4474393530997305}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)c3)n2)cc1", "similarity": 0.4955223880597015}, {"SMILES": "c1ccc(-c2nc(-c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.38666666666666666}, {"SMILES": "[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-n5c6ccccc6c6cc(-c7c(C#N)cc([N+]#[C-])cc7[N+]#[C-])ccc65)c4)c3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c([N+]#[C-])c1", "similarity": 0.5092592592592593}, {"SMILES": "c1ccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)n3)c2)cc1", "similarity": 0.4421052631578947}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)c4)c3)n2)cc1", "similarity": 0.3452631578947368}, {"SMILES": "Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-n5c6ccccc6c6cc(-c7ccc(C)cc7)ccc65)c4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1", "similarity": 0.5748299319727891}, {"SMILES": "Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(C)cc3c3cc(C)ccc32)c1", "similarity": 0.5672727272727273}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc5c6ccccc6n(-c6ccccc6)c5cc3n3c(-c5ccccc5)nc(-c5ccccc5)c43)n2)cc1", "similarity": 0.704225352112676}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc1", "similarity": 0.5045592705167173}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3n4-c3ccc(-c4cccc(-c5ccc(-n6c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c7cc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc76)c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1", "similarity": 0.34810126582278483}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cc4)nc(-c4ccc5c(ccc6ccccc65)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cc4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc2)cc1", "similarity": 0.33073929961089493}, {"SMILES": "c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc2)cc1", "similarity": 0.7142857142857143}, {"SMILES": "c1ccc(-c2cccc(C3(c4ccc5c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6n(-c6ccccc6)c5c4)c4ccccc4-c4ccccc43)c2)cc1", "similarity": 0.7242990654205608}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1", "similarity": 0.53125}, {"SMILES": "c1ccc(-n2c3ccc(-c4cccc5c6ccccc6n(-c6cccc(-c7cc(-c8cccc(-n9c%10ccccc%10c%10cccc(-c%11ccc%12c(c%11)c%11ccc(-c%13cccc%14c%15ccccc%15n(-c%15ccccc%15)c%13%14)cc%11n%12-c%11ccccc%11)c%109)c8)nc(-c8cccc(-n9c%10ccccc%10c%10cccc(-c%11ccc%12c(c%11)c%11ccc(-c%13cccc%14c%15ccccc%15n(-c%15ccccc%15)c%13%14)cc%11n%12-c%11ccccc%11)c%109)c8)n7)c6)c45)cc3c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc32)cc1.c1ccc(-n2c3ccc(-c4cccc5c6ccccc6n(-c6cccc(-c7nc(-c8cccc(-n9c%10ccccc%10c%10cccc(-c%11ccc%12c(c%11)c%11ccc(-c%13cccc%14c%15ccccc%15n(-c%15ccccc%15)c%13%14)cc%11n%12-c%11ccccc%11)c%109)c8)nc(-c8cccc(-n9c%10ccccc%10c%10cccc(-c%11ccc%12c(c%11)c%11ccc(-c%13cccc%14c%15ccccc%15n(-c%15ccccc%15)c%13%14)cc%11n%12-c%11ccccc%11)c%109)c8)n7)c6)c45)cc3c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc32)cc1", "similarity": 0.16246498599439776}, {"SMILES": "c1ccc(-c2nc(-c3ccc(Nc4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc3c4ccccc4c4ccccc4c23)cc1", "similarity": 0.5488372093023256}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5c(-c6nc7ccccc7c7c6c6ccccc6n7-c6ccccc6)ccc6ccccc56)cc4)n3)c2)cc1", "similarity": 0.6666666666666666}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7c8ccccc8n(-c8ccccc8)c67)cc5)c5ccccc45)n3)c2)cc1", "similarity": 0.6738197424892703}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6c7ccccc7nc(-c7ccc8ccc9ccccc9c8c7)c65)cc4)n3)cc2)cc1", "similarity": 0.6134453781512605}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4c5ccccc5c5cc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6cc5n34)cc2)cc1", "similarity": 0.6651376146788991}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)n4)ccc3-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.5943775100401606}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1", "similarity": 0.6926605504587156}, {"SMILES": "Cc1cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C(F)(F)F)c4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1", "similarity": 0.6305220883534136}, {"SMILES": "FC(F)(F)c1ccc(-c2cc(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "similarity": 0.45018450184501846}, {"SMILES": "FC(F)(F)c1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1", "similarity": 0.6839622641509434}, {"SMILES": "Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccc(-c4cccc(C(F)(F)F)c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-n5c6ccccc6c6ccc(-c7ccccc7C)cc65)c4)cc3C)ccc1n2-c1cc(-c2ccccc2C(F)(F)F)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.4619718309859155}, {"SMILES": "FC(F)(F)c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21", "similarity": 0.5652173913043478}, {"SMILES": "N#Cc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21", "similarity": 0.4955357142857143}, {"SMILES": "Cc1cc(N2C(c3ccccc3)=NC(c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)=NC2=C2C=CC=CC2)ccc1-c1ccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1", "similarity": 0.4461942257217848}, {"SMILES": "N#Cc1ccc(-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(-c2cc(-c3cc(C#N)ccc3-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)nc(-c3ccccc3)n2)c1", "similarity": 0.31266846361185985}, {"SMILES": "FC(F)(F)c1cccc(-c2ccc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(C(F)(F)F)c2-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c1", "similarity": 0.6022727272727273}, {"SMILES": "c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc54)c3)n2)cc1", "similarity": 0.5087209302325582}, {"SMILES": "Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2c(-c3cccc(C)c3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(C(F)(F)F)c2)c1.Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c1.Cc1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc(C(F)(F)F)c3)c2-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c1", "similarity": 0.27980132450331124}, {"SMILES": "N#Cc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c1", "similarity": 0.41603053435114506}, {"SMILES": "c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)cc4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)nc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)n5)cc4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)cc4)c3)c2)cc1", "similarity": 0.29276315789473684}, {"SMILES": "Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(C(F)(F)F)c1", "similarity": 0.6755555555555556}, {"SMILES": "N#Cc1ccc(-c2cc(-c3nc(-c4ccc(-c5cccc(C#N)c5)cc4)nc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c(-c5ccc(C#N)cc5)c4)n3)ccc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1", "similarity": 0.48125}, {"SMILES": "c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4ccc5c(c4)c4nc6ccccc6nc4n5-c4ccccc4)c3)c2)cc1", "similarity": 0.5906976744186047}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cccc6c7ccc8ccccc8c7c7cccc4c7c65)c4ccccc4c3)n2)cc1", "similarity": 0.5412844036697247}, {"SMILES": "N#Cc1ccc(-c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cccc(C#N)c4)c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cccc(C#N)c4)c3)n2)cc1", "similarity": 0.5169811320754717}, {"SMILES": "O=P1(c2ccccc2)c2ccccc2-c2c(ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)N1c1ccccc1", "similarity": 0.54337899543379}, {"SMILES": "O=P1(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(ccc3c2c2ccccc2n3-c2ccccc2)-c2ccccc2N1c1ccccc1", "similarity": 0.5576036866359447}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3-n3c4ccc5cccc6c5c4c4c5c(ccc7cccc-6c75)ccc43)n2)cc1", "similarity": 0.49344978165938863}, {"SMILES": "c1ccc(-c2ccc3c4ccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc6c5c5ccccc5n6-c5ccccc5)cc4n(-c4ccccc4)c3c2)cc1", "similarity": 0.6926605504587156}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-n4c5cccc6c5c5c7c(ccc8ccc9cccc-6c9c87)ccc54)nc4ccccc34)cc2)cc1", "similarity": 0.42731277533039647}, {"SMILES": "c1ccc(-c2cccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4nc5ccccc5nc43)n2)cc1", "similarity": 0.4377880184331797}, {"SMILES": "c1ccc(N(c2ccccc2)c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.4936708860759494}, {"SMILES": "c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1", "similarity": 0.6714285714285714}, {"SMILES": "[C-]#[N+]c1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc2c1c1ccccc1n2-c1ccccc1", "similarity": 0.6502463054187192}, {"SMILES": "CC1CC(c2nc(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3n2)=Cc2c1n(-c1ccccc1)c1ccc3ccccc3c21", "similarity": 0.43722943722943725}, {"SMILES": "c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc(-n5c6ccccc6c6cc(-c7cccc(-c8nc(-c9ccccc9)c9ccccc9n8)c7)ccc65)c4)cc3)cc2)cc1", "similarity": 0.6565217391304348}, {"SMILES": "Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3cccc(C#N)c3)c2-n2c3ccc(C)cc3c3cc(C)ccc32)c1", "similarity": 0.4890829694323144}, {"SMILES": "CC12CC=CC=C1N(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc12", "similarity": 0.5727699530516432}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)c5ccccc45)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.7821782178217822}, {"SMILES": "CC12C=Cc3c(c4ccccc4n3-c3ccc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5n4)cc3)C1C=CN2c1ccccc1", "similarity": 0.4956896551724138}, {"SMILES": "CC1C=CC=CC1c1ccc2cc(-c3nc(-c4ccc5c(c4)c4c6c(ccc4n5-c4ccccc4)C=CCC6)nc4ccccc34)ccc2c1", "similarity": 0.3891213389121339}, {"SMILES": "c1ccc(-c2ccc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4-c4ccccc4)c3c2)cc1", "similarity": 0.6666666666666666}, {"SMILES": "CC1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3N(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)C2(C)C(C)=C1", "similarity": 0.6376146788990825}, {"SMILES": "c1ccc(-c2nc(-c3cc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4ccccc4)cc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4ccccc4)c3)c3ccc4ccccc4c3n2)cc1", "similarity": 0.5405405405405406}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccc6ccc7ccccc7c6c5c5ccc6ccccc6c54)n3)cc2)cc1", "similarity": 0.5420560747663551}, {"SMILES": "c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)cc6)c5cc43)cc2)cc1", "similarity": 0.7571428571428571}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6c5nc(-c5ccccc5)c5ccc7c8ccccc8n(-c8ccccc8)c7c56)cc4)c3)n2)cc1", "similarity": 0.7464788732394366}, {"SMILES": "c1ccc(CN(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ncccn3)cc2)cc1", "similarity": 0.45871559633027525}, {"SMILES": "CC1(C)c2ccccc2-c2c(ccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)C1(C)C", "similarity": 0.5022222222222222}, {"SMILES": "CCc1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)n2)cc1C", "similarity": 0.5118483412322274}, {"SMILES": "N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)nc1-c1ccccc1", "similarity": 0.6060606060606061}, {"SMILES": "CC1(C)c2ccc3ccccc3c2-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)c3c2C1(C)C", "similarity": 0.6108597285067874}, {"SMILES": "c1ccc(-c2ccc(-c3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc4c5ccccc5n5c6ccccc6c3c45)cc2)cc1", "similarity": 0.6730769230769231}, {"SMILES": "CCCCc1cc(-c2nc(-c3cc(CCCC)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc(C(C)(C)C)c1", "similarity": 0.5583941605839416}, {"SMILES": "[C-]#[N+]c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1c3c4ccccc4n(-c4ccccc4)c3ccc1n2-c1ccccc1", "similarity": 0.6635514018691588}, {"SMILES": "FC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc2n3-c2ccc(-c3cccc(-c4ccc(-n5c6ccc(-c7ccc(C(F)(F)F)cc7C(F)(F)F)cc6c6cc(-c7ccc(C(F)(F)F)cc7C(F)(F)F)ccc65)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C(F)(F)F)c1", "similarity": 0.3897058823529412}, {"SMILES": "c1ccc(-c2nc(C3=c4ccccc4=C(n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)CC3)nc3ccccc23)cc1", "similarity": 0.49361702127659574}, {"SMILES": "Cc1c(C)n(-c2cc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)cc3)cc(-n3c(C)c(C)c4ccccc43)c2)c2ccccc12", "similarity": 0.5021645021645021}, {"SMILES": "CCCCc1cc(C)cc(-c2nc(-c3cc(C)cc(C(C)(C)C)c3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)c1", "similarity": 0.5509433962264151}, {"SMILES": "[C-]#[N+]c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c12", "similarity": 0.6405529953917051}, {"SMILES": "CC1(C)c2cc(-c3nc(-c4ccccc4)c4cc(-c5ccccc5)c5ccccc5c4n3)ccc2-n2c3c1cccc3c1c3ccccc3c3ccccc3c12", "similarity": 0.4602510460251046}, {"SMILES": "FC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)n2)cc(C(F)(F)F)c1", "similarity": 0.4620938628158845}, {"SMILES": "[C-]#[N+]c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)c2C#N)ccc1-c1cccc2c3cc4c(cc3n(-c3ccccc3)c12)c1ccccc1n4-c1ccccc1", "similarity": 0.5560344827586207}, {"SMILES": "CC1(n2c3ccccc3c3ccccc32)C=CC2=C(C1)c1cc(-n3c4ccccc4c4ccccc43)ccc1I(c1ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc1)CC2", "similarity": 0.592}, {"SMILES": "Cc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6c(ccc54)C(C)(C)c4ccccc4-6)c3)n2)c1", "similarity": 0.4930232558139535}, {"SMILES": "Cc1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3cc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)c6cc(N(c8ccccc8)c8ccccc8)ccc6n7-c6c(C)cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c(C)c6C)cc5)cc4)ccc32)c(C)c(C)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.37740384615384615}, {"SMILES": "FC(F)(F)c1ccc(-c2ccc3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4n(-c4ccccc4-c4cc(-c5ccccc5)nc(-c5ccccc5-n5c6cc(-c7ccc(C(F)(F)F)cc7C(F)(F)F)ccc6c6ccc(-c7ccc(C(F)(F)F)cc7C(F)(F)F)cc65)n4)c3c2)c(C(F)(F)F)c1", "similarity": 0.33613445378151263}, {"SMILES": "Cc1cc2c(cc1-c1ccccc1Cc1ccccc1)c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1", "similarity": 0.5095238095238095}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1", "similarity": 0.4634146341463415}, {"SMILES": "C1=CCC(n2c3ccccc3c3c4c(ccc32)c2ccccc2n4-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)C=C1", "similarity": 0.625}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)c3-c3ccccc3)n2)cc1", "similarity": 0.6261682242990654}, {"SMILES": "CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4c(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cccc4n5-c4ccccc4)cc3)cc21", "similarity": 0.6666666666666666}, {"SMILES": "c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1", "similarity": 0.6919431279620853}, {"SMILES": 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"c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2)cc1", "similarity": 0.7313432835820896}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3)c2)cc1", "similarity": 0.611353711790393}, {"SMILES": "FC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc2n3-c2ccccc2-c2cc(-c3ccccc3)nc(-c3ccccc3-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)n2)c(C(F)(F)F)c1", "similarity": 0.35127478753541075}, {"SMILES": "c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc(-c7cccc8c7-c7ccccc7CCCC8)cc65)c4)n3)cc2)cc1", "similarity": 0.6513761467889908}, {"SMILES": "Cc1cccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9cc(Cc%10ccc%11c(c%10)c%10cc(C)ccc%10n%11-c%10ccc%11c(c%10)c%10cc(-n%12c%13ccccc%13c%13ccccc%13%12)ccc%10n%11-c%10ccc(-c%11ccc(-c%12ccc(-c%13cc(-c%14ccccc%14)nc(-c%14ccccc%14)n%13)cc%12)cc%11)cc%10C)ccc98)ccc76)cc5)cc4)cc3)nc(-c3cccc(C)c3)n2)c1", "similarity": 0.3416666666666667}, {"SMILES": "CC1(C)c2ccccc2-c2nc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)cc4c4c5ccccc5ccc43)nc3cccc1c23", "similarity": 0.49794238683127573}, {"SMILES": "Cc1c(-c2ccccc2)nc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)c2)nc1-c1ccccc1", "similarity": 0.4792626728110599}, {"SMILES": "C1=C(c2ccc3c(c2)c2ccccc2n3-c2cc3c4ccccc4c4ccccc4c3cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)Cc2ccccc2-c2ccccc21", "similarity": 0.5889830508474576}, {"SMILES": "C1=CC(c2ccccc2)CC(c2ccc(-c3ccc4c(c3)c3nc5ccccc5nc3n4-c3ccccc3)cc2)=C1", "similarity": 0.4166666666666667}, {"SMILES": "CC1(C)c2ccccc2-c2c(ccc3ccc4cc(-n5c6ccccc6c6ccccc65)ccc4c23)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c23)C1(C)C.CC1(C)c2ccccc2-c2cc3ccc4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4c3cc2C1(C)C.CC1(C)c2ccccc2-c2ccc3c(ccc4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc43)c2C1(C)C", "similarity": 0.3054003724394786}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6cccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9cc(-c%10ccc([Si](c%11ccccc%11)(c%11ccccc%11)c%11ccccc%11)cc%10)ccc98)n7)c6)cccc54)cc3)n2)cc1", "similarity": 0.5821917808219178}, {"SMILES": "Cc1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(C2C=CC(c3ccccc3)=CC2)n1", "similarity": 0.39622641509433965}, {"SMILES": "CC=CC(=CC)N(c1ccc2ccccc2c1)c1ccc2c(c1)c1cc(C(c3ccccc3)c3ccc4ccccc4c3)c3ccccc3c1n2-c1cccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c1", "similarity": 0.43333333333333335}, {"SMILES": "N#Cc1c(-c2ccccc2)nc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)c2-c2ccccc2)nc1-c1ccccc1", "similarity": 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"c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccccc6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cc2)cc1", "similarity": 0.6926605504587156}, {"SMILES": "Fc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1", "similarity": 0.6683417085427136}, {"SMILES": "c1ccc(-c2cc(-c3cccc(-c4cccc5c4c4cc6c(-c7ccccc7)cc7ccccc7c6cc4n5-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1", "similarity": 0.6777251184834123}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5-c5ccccc5)c34)n2)cc1", "similarity": 0.5669642857142857}, {"SMILES": "c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4nc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)nc(-n5c6ccccc6c6ccccc65)n4)c3)c2)cc1", "similarity": 0.4639175257731959}, {"SMILES": "c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccc7c8ccccc8n(-c8cccc(-c9cccc(-c%10nc(-c%11cccc(-c%12ccccc%12)c%11)cc(-c%11ccc(-c%12cccc(-c%13ccc%14c%15ccccc%15n(-c%15ccccc%15)c%14c%13)c%12)c%12ccccc%11%12)n%10)c9)c8)c7c6)c5)c5ccccc45)nc(-c4ccccc4)n3)cc2)cc1", "similarity": 0.45528455284552843}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cccc6c7c8c(ccc7n(-c7ccccc7)c56)c(-c5ccccc5)nc5ccccc58)ccc4c3)n2)cc1", "similarity": 0.6788990825688074}, {"SMILES": "c1ccc(-c2nc(-n3c4ccc5ccc6cccc7c8cc9ccccc9c3c8c4c5c67)nc3ccccc23)cc1", "similarity": 0.36}, {"SMILES": "c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5-n5c6ccccc6c6ccccc65)c4)n3)c2)cc1", "similarity": 0.6836734693877551}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccc(-c7ccccc7)cc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)n4)cc3)c2)cc1", "similarity": 0.7655502392344498}, {"SMILES": "C1=CCC(N2c3ccc(-c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)cc3C3C=CCCC32)C=C1", "similarity": 0.4353448275862069}, {"SMILES": 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"c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6c7ccc8c(-c9ccccc9)nc9ccccc9c8c7n(-c7ccccc7)c6c5)cc4)c3)n2)cc1", "similarity": 0.7547169811320755}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6[NH2+]7)ccc54)cc3)n2)cc1", "similarity": 0.6485148514851485}, {"SMILES": "Cc1cc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc6ccccc56)c4ccc32)ccc1-c1ccccc1Cc1nc(-c2ccc3ccccc3c2)c2ccccc2n1", "similarity": 0.45525291828793774}, {"SMILES": "CC1C=Cc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)C1", "similarity": 0.6495327102803738}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3-c3cccc4c3C3c5ccccc5C4c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c43)nc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1", "similarity": 0.4626334519572954}, {"SMILES": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c7cccc8c9ccccc9c9ccc4c(c9c87)c65)cc3)n2)cc1", "similarity": 0.5566037735849056}, {"SMILES": 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"C(=Cc1ccc(-c2c3ccccc3c(N(c3ccccc3)c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1)c1ccccc1", "similarity": 0.4048582995951417}, {"SMILES": "c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3)cc2)cc1", "similarity": 0.4950980392156863}, {"SMILES": "c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3)cc2)cc1", "similarity": 0.5347593582887701}, {"SMILES": "CCC(C)(C)c1ccc(C(C)(CC)N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1", "similarity": 0.31351351351351353}, {"SMILES": "CCC(C)(C)c1ccc(C(C)(CC)N(c2ccccc2)c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1", "similarity": 0.6206896551724138}, {"SMILES": "CC=Cc1c2ccccc2c(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2ccccc12", "similarity": 0.3967391304347826}, {"SMILES": "C(=Cc1ccc(N(c2ccccc2)c2ccc(C(=Cc3c4ccccc4c(C=C(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(C=Cc6ccccc6)cc5)cc4)c4ccccc34)c3ccccc3)cc2)cc1)c1ccccc1", "similarity": 0.32432432432432434}, {"SMILES": "Cc1ccccc1N(c1cccc2ccccc12)c1cccc2ccccc12", "similarity": 0.5067567567567568}, {"SMILES": "Cc1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)cc1", "similarity": 0.6477987421383647}, {"SMILES": "Cc1ccc(N(c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)c2ccc3ccccc3c2)cc1", "similarity": 0.6707317073170732}, {"SMILES": "C=c1cccc(N(c2ccc(C)cc2)c2cccc3ccccc23)c1=CC", "similarity": 0.3710691823899371}, {"SMILES": "CC(C)c1cccc(N(c2ccccc2-c2cccc(-c3ccccc3)c2)c2ccc3ccc4c(N(c5cccc(C(C)C)c5)c5ccccc5-c5cccc(-c6ccccc6)c5)ccc5ccc2c3c54)c1", "similarity": 0.40239043824701193}, {"SMILES": "C1=Cc2ccccc2C(=Cc2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2ccccc21", "similarity": 0.47701149425287354}, {"SMILES": "CC1CC(N(c2ccccc2)c2ccc3ccccc3c2)=CC=C1N(c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1", "similarity": 0.43089430894308944}, {"SMILES": "C(=Cc1ccc2cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)ccc2c1)c1ccc2cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)ccc2c1", "similarity": 0.3782771535580524}, {"SMILES": "C1=Cc2ccc(N(c3ccc4ccccc4c3)c3ccc4c(-c5ccc6c(ccc7ccccc76)c5)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c(C5=CC=C6c7ccccc7C=CC6C5)c4c3)cc2CC1", "similarity": 0.356401384083045}, {"SMILES": "Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc4ccccc4cc23)cc1", "similarity": 0.45077720207253885}, {"SMILES": "CC=CC=CC1=CC(c2ccccc2)(c2ccccc2)c2cc(Nc3cccc4ccccc34)ccc21", "similarity": 0.34408602150537637}, {"SMILES": "CC.CC.Cc1ccc2c(N(c3cccc4ccccc34)c3cccc4ccccc34)c3cc(C)c(C)cc3c(N(c3cccc4ccccc34)c3cccc4ccccc34)c2c1", "similarity": 0.46788990825688076}, {"SMILES": "[C-]#[N+]c1c(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(C#N)c2cc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc12", "similarity": 0.44339622641509435}, {"SMILES": "Cc1ccc(C(=CC=Cc2ccc(N(c3ccc(C=C(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)c3ccc(C(C)(C)C)cc3)c3ccccc23)c2ccc(C)cc2)cc1", "similarity": 0.33064516129032256}, {"SMILES": "Cc1cccc(Nc2ccc(-c3ccc(Nc4cccc(C)c4)c(-c4ccccc4)c3-c3ccccc3)cc2)c1", "similarity": 0.3723404255319149}, {"SMILES": "Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=CC=Cc3ccc4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc4c3)cc2)cc1", "similarity": 0.3427230046948357}, {"SMILES": "c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)c5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7ccccc7c6)ccc5c(-c5ccccc5)c4c3)cc2)cc1", "similarity": 0.41832669322709165}, {"SMILES": "CCC(C)c1ccc(N(c2ccc(N(c3ccccc3)c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c2ccc3ccccc3c2)cc1.CCC(C)c1ccc(N(c2ccc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)cc2)c2ccc3ccccc3c2)cc1", "similarity": 0.3076923076923077}, {"SMILES": "c1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)c7ccccc67)cc5)cc4)c4ccccc34)cc2)cc1", "similarity": 0.38515901060070673}, {"SMILES": "c1ccc2c(-c3ccccc3)ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c4c3C=CCC4)c2c#1", "similarity": 0.4434782608695652}, {"SMILES": "Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4ccc(N(c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)cc1", "similarity": 0.5254237288135594}, {"SMILES": "c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cccc7ccccc67)cc5)cc4)cc3)c3cccc4ccccc34)cc2)cc1", "similarity": 0.4900398406374502}, {"SMILES": "CCCCCCCCc1ccc(N(c2ccc(CCCCCC)cc2)c2ccc(-c3ccc(N(c4ccc(CCCCCC)cc4)c4ccc(CCCCCCCC)cc4)cc3)cc2)cc1", "similarity": 0.29961089494163423}, {"SMILES": "c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1", "similarity": 0.46788990825688076}, {"SMILES": "c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc34)ccc2c1", "similarity": 0.46634615384615385}, {"SMILES": "Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)c2ccccc2c2c4ccc(N(c5ccc(C)cc5)c5ccc(C(C)(C)C)cc5)cc4c4ccccc4c32)cc1", "similarity": 0.37662337662337664}, {"SMILES": "c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3ccccc3c3c5ccc(N(c6ccccc6)c6ccccc6)cc5c5ccccc5c43)c2)cc1", "similarity": 0.4248927038626609}, {"SMILES": "C[Ge](C)(C)c1ccc(N(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)c2ccc3ccc4c(N(c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7ccccc7c6)cc5)c5ccc([Ge](C)(C)C)cc5)ccc5ccc2c3c54)cc1", "similarity": 0.36129032258064514}, {"SMILES": "C[Ge](C)(C)c1ccc(N(c2ccc(B(c3ccccc3)c3ccccc3)cc2)c2ccc3ccc4c(N(c5ccc(B(c6ccccc6)c6ccccc6)cc5)c5ccc([Ge](C)(C)C)cc5)ccc5ccc2c3c54)cc1", "similarity": 0.3816793893129771}, {"SMILES": "C[Ge](C)(C)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2cc3c4ccccc4c(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc([Ge](C)(C)C)cc4)cc3c3ccccc23)cc1", "similarity": 0.373134328358209}, {"SMILES": "c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5ccccc5N(c5ccccc5)c5ccccc5)c4)cc3)cc2)cc1", "similarity": 0.47533632286995514}, {"SMILES": "c1ccc(-c2cc3cc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)c4ccccc4c3c3ccccc23)cc1", "similarity": 0.5355191256830601}, {"SMILES": "Cc1ccc(-c2cc(-c3ccccc3)c3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc4c3c2-c2ccccc2)cc1", "similarity": 0.4199134199134199}, {"SMILES": "CC(C)c1ccc(N(c2ccc(C3CCCCC3)cc2)c2cc3c4ccc(C(C)C)cc4c(N(c4ccc(C(C)C)cc4)c4ccc(C5CCCCC5)cc4)cc3c3ccccc23)cc1", "similarity": 0.33739837398373984}, {"SMILES": "Cc1cc(C(C)(C)C)ccc1N(c1ccccc1)c1ccc2c(-c3cccc(-c4ccccc4)c3)c3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)ccc3c(-c3cccc(-c4ccccc4)c3)c2c1", "similarity": 0.41365461847389556}, {"SMILES": "CC1(C)C2=C(C=CCC2)c2ccc(-c3ccc(N(C4=CC=CCC4)c4ccc5c(-c6ccc7ccccc7c6)c6cc(N(c7ccccc7)c7ccc(-c8ccc9c(c8)C(C)(C)C8=C9C=CCC8)cc7)ccc6c(-c6ccc7ccccc7c6)c5c4)cc3)cc21", "similarity": 0.38095238095238093}, {"SMILES": "Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc23)cc1", "similarity": 0.5414364640883977}, {"SMILES": "C(=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1c2ccccc2c(C=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc12", "similarity": 0.294478527607362}, {"SMILES": "C1=c2ccccc2=CC(N(c2ccc3c(-c4ccc5c(ccc6ccccc65)c4)c4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc4c(-c4ccc5c(ccc6ccccc65)c4)c3c2)c2cccc3ccccc23)C1", "similarity": 0.3900709219858156}, {"SMILES": "c1ccc2cc3c(cc(-c4ccc5cc(N(c6cccc7ccccc67)c6cccc7ccccc67)c6cccc7ccc4c5c76)c4ccccc43)cc2c1", "similarity": 0.48058252427184467}, {"SMILES": "C1=CCCC(C2=CC=C(c3c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc34)CC2)=C1", "similarity": 0.39923954372623577}, {"SMILES": "C1=CC(c2cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)c3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3c2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)=CCC1", "similarity": 0.34868421052631576}, {"SMILES": "Cc1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c(c2)c2ccccc2c2c(C4=CC=CCC4)cc(-c4ccccc4)c(C4=CC=CCC4)c32)cc1", "similarity": 0.4413145539906103}, {"SMILES": "Cc1ccccc1N(c1ccc2c(c1)c1ccccc1c1c(-c3ccccc3)c(-c3ccccc3)cc(C3=CC=CCC3)c21)c1cc2ccccc2c2ccccc12", "similarity": 0.4099099099099099}, {"SMILES": "Cc1cccc(N(c2ccc3c(c2)c2ccccc2c2c(C4=CC=CCC4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccccc2C)c1", "similarity": 0.4405940594059406}, {"SMILES": "CC=C(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(C=Cc5ccc(-c6ccccc6)cc5)c5ccccc45)c4ccccc34)cc2)cc1", "similarity": 0.42436974789915966}, {"SMILES": "Cc1cc(-c2ccc(N(c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccc4ccccc4c3)c(C)c2)ccc1N(c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc2ccccc2c1", "similarity": 0.45454545454545453}, {"SMILES": "c1ccc(-c2cccc(N(c3ccc(-c4ccc(N5c6ccccc6-c6cccc7cccc5c67)cc4)cc3)c3cccc(-c4ccccc4)c3)c2)cc1", "similarity": 0.4876847290640394}, {"SMILES": "c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N5c6ccccc6-c6cccc7cccc5c67)cc4)cc3)cc2)cc1", "similarity": 0.5024875621890548}, {"SMILES": "c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4cccc5c6c(ccc45)Nc4cccc5cccc-6c45)cc3)c2)cc1", "similarity": 0.517948717948718}, {"SMILES": "c1ccc(-c2cccc(N(c3ccc(-c4ccc(N5c6ccc7ccccc7c6-c6cccc7cccc5c67)cc4)cc3)c3cccc(-c4ccccc4)c3)c2)cc1", "similarity": 0.49523809523809526}, {"SMILES": "c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c5c(cccc35)-c3cc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)ccc3N4)cc2)cc1", "similarity": 0.48058252427184467}, {"SMILES": "C1=CCC(c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(C5=CCCC6=C(CCC=C6)N5c5cccc6ccccc56)cc4)ccc23)C=C1", "similarity": 0.4375}, {"SMILES": "C#CC=C(c1ccccc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)C(CC)C1C=CC=CC1c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1", "similarity": 0.4315352697095436}, {"SMILES": "C(=Cc1ccc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1", "similarity": 0.5263157894736842}, {"SMILES": "CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21", "similarity": 0.5947368421052631}, {"SMILES": "C1=CC=CC(N(C2=CC=CC(c3ccc(N(C4=CC5C=CC=CC(=C5)C=C4)c4ccccc4)cc3)C=C2)c2ccc3ccccc3c2)C=C1", "similarity": 0.3932038834951456}, {"SMILES": 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"CCCCCCCC(CC)c1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)CC4(C)C)cc2)c2ccccc2c1-c1c(C(CC)(CC)CCCCCCC)cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C(C)C)cc3)cc2)c2ccccc12", "similarity": 0.32098765432098764}, {"SMILES": "C1=CC2=C(C=CC(N(c3ccc4ccccc4c3)c3ccc4c(-c5cc6ccccc6c6ccccc56)c5cc(N(c6ccc7c(c6)C=CCC7)C6C=Cc7ccccc7C6)ccc5c(-c5cc6ccccc6c6ccccc56)c4c3)C2)CC1", "similarity": 0.3333333333333333}, {"SMILES": "c1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc(-c3cccc(C4CCCCC4)c3)cc2)cc1", "similarity": 0.5698324022346368}, {"SMILES": "Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6cccc(C)c6)cc5)cc4)c4cccc5ccccc45)cc3)cc2)c1", "similarity": 0.5352112676056338}, {"SMILES": "Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1", "similarity": 0.4719626168224299}, {"SMILES": "Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)cc4)c4cccc(C)c4)cc3)cc2)cc1", "similarity": 0.4474885844748858}, {"SMILES": "c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2-3)c2cccc3ccccc23)cc1", "similarity": 0.5463414634146342}, {"SMILES": "CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc(Nc3ccccc3)c3ccccc23)cc1", "similarity": 0.3403141361256545}, {"SMILES": "CCCCCCc1ccc(-c2ccc(N(c3cccc(F)c3)c3cc4c5ccc(F)cc5c(N(c5ccc(-c6ccc(CCCCCC)cc6)cc5)c5ccc(-c6cccc(F)c6)cc5)cc4c4ccccc34)cc2)cc1", "similarity": 0.3707865168539326}, {"SMILES": "CC=Cc1c(N(c2ccc(C)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)ccc(C)c1C", "similarity": 0.30978260869565216}, {"SMILES": "C1=CC(N(c2ccccc2)c2cccc3ccccc23)CC=C1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1", "similarity": 0.5411255411255411}, {"SMILES": "c1ccc2c(c1)-c1ccccc1N(c1cccc3c(N4c5ccccc5-c5ccccc5-c5ccccc54)cccc13)c1ccccc1-2", "similarity": 0.3853658536585366}, {"SMILES": "c1ccc(-c2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3c(-c3ccccc3)c3ccc(C(c4ccccc4)c4cccc5ccccc45)cc23)cc1", "similarity": 0.4883720930232558}, {"SMILES": "C=CC(=CC=CN(C1=CC=CCC1)c1ccc2ccccc2c1)c1ccc(-c2cccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc3)c2)cc1", "similarity": 0.49099099099099097}, {"SMILES": "FC(F)(F)C(c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1)(c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1)C(F)(F)F", "similarity": 0.4241379310344828}, {"SMILES": "Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc2)cc1", "similarity": 0.532967032967033}, {"SMILES": "Cc1ccc(C(=Cc2ccc(N(c3ccc(C=CC=C(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3ccc4c(c3)CCCC4)cc2)c2ccccc2)cc1", "similarity": 0.33771929824561403}, {"SMILES": "CCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C(CC)CCC)cc4)cc3)cc2)cc1", "similarity": 0.4787234042553192}, {"SMILES": "C(=Cc1ccc(N(c2ccc(C=CC=C(c3ccccc3)c3ccccc3)cc2)c2ccc3c(c2)CCCC3)cc1)C=C(c1ccccc1)c1ccccc1", "similarity": 0.39908256880733944}, {"SMILES": "c1ccc(-c2ccc(N(c3ccccc3)c3c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4ccccc4c4ccccc34)cc2)cc1", "similarity": 0.5416666666666666}, {"SMILES": "CN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2ccccc2c1", "similarity": 0.47770700636942676}, {"SMILES": "Cc1cccc(N(c2cccc(C)c2)c2cc3c(-c4ccccc4)ccc4c5cccc6c(-c7ccccc7)ccc(c(c2)c34)c65)c1", "similarity": 0.42346938775510207}, {"SMILES": "Cc1cc(C)cc(N(c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2cccc3ccccc23)c1", "similarity": 0.5911602209944752}, {"SMILES": "c1ccc(Nc2c3ccccc3c(-c3c4ccccc4c(Nc4ccccc4)c4ccccc34)c3ccccc23)cc1", "similarity": 0.35714285714285715}, {"SMILES": "c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)cc1", "similarity": 0.5705128205128205}, {"SMILES": "c1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc2)cc1", "similarity": 0.5459770114942529}, {"SMILES": "C1=C(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)CCC(N(c2ccccc2)c2cccc3ccccc23)=C1", "similarity": 0.5545851528384279}, {"SMILES": "CC=Cc1cc2cc(N(C)c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3)ccc2cc1CC", "similarity": 0.42934782608695654}, {"SMILES": "CC1(C)C2=C3C(CC=C2)C(C)(C)c2cc(N(c4cc5ccccc5c5c4CCC=C5)c4cccc5ccccc45)ccc2N3c2ccccc21", "similarity": 0.3951219512195122}, {"SMILES": "C1=C(N(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)CCC(N(c2ccccc2)c2ccc3ccccc3c2)=C1", "similarity": 0.40562248995983935}, {"SMILES": "C=CCc1ccccc1N(c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccccc1CC=C", "similarity": 0.5517241379310345}, {"SMILES": "c1ccc(N(c2ccc3c4c(cccc24)-c2ccccc2C32CC2)c2ccc3ccc4cccc5ccc2c3c45)cc1", "similarity": 0.45604395604395603}, {"SMILES": "CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3ccc4cc(-c5ccc6ccccc6c5)cc5ccc(c2)c3c45)cc1", "similarity": 0.3681592039800995}, {"SMILES": "c1ccc(N(c2ccccc2)c2ccc3c(ccc4cc5c(ccc6cc(N(c7ccccc7)c7ccccc7)ccc65)cc43)c2)cc1", "similarity": 0.4791666666666667}, {"SMILES": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ccc(N(c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc23)c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc23)cc1", "similarity": 0.16997167138810199}, {"SMILES": "CC(C)Cc1ccc(N(c2ccccc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccccc5)c5ccc(CC(C)C)cc5)ccc4c(-c4ccccc4)c3c2)cc1", "similarity": 0.4429223744292237}, {"SMILES": "CCc1cc(CC)cc(N(c2cc(CC)c(CC)c(CC)c2)c2cc(-c3ccc4ccccc4c3)c3ccc4c(N(c5cc(CC)cc(CC)c5)c5cc(CC)c(CC)c(CC)c5)cc(-c5ccc6ccccc6c5)c5ccc2c3c54)c1", "similarity": 0.2920962199312715}, {"SMILES": "Cc1cccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2C)c1", "similarity": 0.4539877300613497}, {"SMILES": "C(C=Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C=CC=Cc5ccccc5)cc4)cc3)cc2)cc1)=Cc1ccccc1", "similarity": 0.4672897196261682}, {"SMILES": "c1ccc(-c2cc3ccccc3cc2-c2ccc3c(c2)c(-c2ccccc2)c(-c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)ccc23)cc1", "similarity": 0.4386792452830189}, {"SMILES": "C=CC=C(C=C)C=CC=C(C=C)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccc(C(C=CC)=CC)cc3)c3ccc(C4C=CC=CC4)cc3)cc2)cc1", "similarity": 0.38961038961038963}, {"SMILES": "C[Si](C)(C)c1ccc(N(c2ccc3c(-c4ccccc4-c4ccccc4)c4cc(N(c5ccc([Si](C)(C)C)cc5)c5cccc6ccccc56)ccc4c(-c4ccccc4-c4ccccc4)c3c2)c2cccc3ccccc23)cc1", "similarity": 0.444015444015444}, {"SMILES": "c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7cccc(-c8ccccc8)c7)cc6)c6ccc(-c7ccccc7)c7ccccc67)cc5)cc4)c4ccc(-c5ccccc5)c5ccccc45)cc3)c2)cc1", "similarity": 0.3935018050541516}, {"SMILES": "C=CC=C(C=C)N(c1ccc2c(c1)C1(C3=C2CCC(N(C(C=C)=CC)C2=C4C=CC=CC4CC=C2)=C3)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21)c1cccc2ccccc12", "similarity": 0.4061433447098976}, {"SMILES": "C(=Cc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1", "similarity": 0.6292134831460674}, {"SMILES": "CC1C=CC=CC1N(c1c(F)cc(-c2ccccc2)cc1-c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc4ccc1c2c43", "similarity": 0.40408163265306124}, {"SMILES": "C=Cc1cccc(N(c2ccc(C)cc2)c2cccc(C(c3cccc(N(c4ccc(C)cc4)c4cccc5ccccc45)c3)(C(F)(F)F)C(F)(F)F)c2)c1C=C", "similarity": 0.46116504854368934}, {"SMILES": "c1ccc(-c2ccc(N(c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)cc2)cc1", "similarity": 0.5291479820627802}, {"SMILES": "c1ccc(N(c2ccccc2)c2ccc(C3Cc4ccc5c(ccc6c7ccccc7ccc56)c4-c4ccccc43)cc2)cc1", "similarity": 0.5277777777777778}, {"SMILES": "C=C1C=Cc2ccccc2N(c2cccc(C3=CC=C(C(=CC4=Cc5cccc6cccc(c56)CC5C=CC=C45)Cc4ccccc4)C3)c2)C2=C1CC=C2", "similarity": 0.34375}, {"SMILES": "C(=Cc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc(C=Cc2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1", "similarity": 0.5958549222797928}, {"SMILES": "Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(-c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)c4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc4c(-c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)c3c2)cc1", "similarity": 0.30434782608695654}, {"SMILES": "c1ccc(N(c2ccccc2)c2ccc(-c3c4cccc(N(c5ccccc5)c5ccccc5)c4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cccc(N(c5ccccc5)c5ccccc5)c34)cc2)cc1", "similarity": 0.41132075471698115}, {"SMILES": "Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)c4cc(N(c5ccc(C)cc5)c5ccc(C(C)(C)C)cc5)ccc4c(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)c3c2)cc1", "similarity": 0.34185303514376997}, {"SMILES": "[C-]#[N+]c1ccc(N(c2ccccc2)c2cc(C(C)C)c3ccc4c(N(c5ccccc5)c5ccc(C#N)cc5)ccc5ccc2c3c54)cc1", "similarity": 0.46632124352331605}, {"SMILES": "[C-]#[N+]c1ccc(N(c2ccc(CC)cc2)c2cc(C(C)C)c3ccc4c(N(c5ccc(C#N)cc5)c5ccc(CC)cc5)cc(C(C)C)c5ccc2c3c54)cc1", "similarity": 0.3157894736842105}, {"SMILES": "Cc1ccc2c(-c3ccc(N(c4ccccc4)c4ccc5ccc6cccc7ccc4c5c67)cc3)ccc(-c3ccc(N(c4ccccc4)c4ccc5ccc6cccc7ccc4c5c67)cc3)c2c1", "similarity": 0.4723404255319149}, {"SMILES": "c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(N(c4ccccc4)c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c4ccccc34)cc2)cc1", "similarity": 0.4196078431372549}, {"SMILES": "c1ccc(N(c2ccccc2)c2cc3c4c5c(ccc4c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc4ccc(c-5c24)C3(c2ccccc2)c2ccccc2)cc1", "similarity": 0.3383458646616541}, {"SMILES": "C(=Cc1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1)c1ccccc1", "similarity": 0.5297619047619048}, {"SMILES": "N#Cc1cc2ccc3cc(C#N)c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4ccc(c1N(c1ccccc1)c1ccc(-c5ccccc5)cc1)c2c34", "similarity": 0.5}, {"SMILES": "Cc1ccc(N(C2=C(c3ccccc3)C(c3cccc(-c4ccccc4)c3)=C3C2=C(c2ccccc2)c2c(C)c(-c4ccc5c(-c6cccc7ccccc67)cccc5c4)c(-c4ccccc4)c(C)c23)c2ccc3ccccc3c2)cc1", "similarity": 0.35815602836879434}, {"SMILES": "C(=Cc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)c1ccc(CCC(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1", "similarity": 0.4017857142857143}, {"SMILES": "c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)c(-c8ccccc8)c7)cc6)cc5)cc4-c4ccccc4)cc3)cc2)cc1", "similarity": 0.32666666666666666}, {"SMILES": 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"CC=CC(=CCC)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1", "similarity": 0.5235602094240838}, {"SMILES": "CCc1cccc(N(c2cccc(C(C)CC)c2)c2ccc3c(-c4ccccc4)c4cc(N(c5cccc(CC)c5)c5cccc(C(C)CC)c5)ccc4c(-c4ccccc4)c3c2)c1", "similarity": 0.3813559322033898}, {"SMILES": "CCc1cccc(N(c2cccc(CC)c2)c2ccc3c(-c4ccccc4)c4cc(N(c5cccc(CC)c5)c5cccc(CC)c5)ccc4c(-c4ccccc4)c3c2)c1", "similarity": 0.39823008849557523}, {"SMILES": "CN(c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3C=CCC4)cc2)cc1)c1ccc2ccccc2c1", "similarity": 0.5688622754491018}, {"SMILES": "C1=CCC=C(C2=CC=CCC2)C=C1.C=CC=Cc1c(CC)cccc1Nc1ccccc1.c1ccc(Nc2cccc3ccccc23)cc1", "similarity": 0.36363636363636365}, {"SMILES": "CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(c5ccc(C(C)C)cc5)c5ccc(C(C)C)cc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1", "similarity": 0.39759036144578314}, {"SMILES": "CCc1ccc(N(c2cccc(CC(C)C)c2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(CC)cc5)c5cccc(CC(C)C)c5)ccc4c(-c4ccccc4)c3c2)cc1", "similarity": 0.41125541125541126}, {"SMILES": "C[Si](C)(C)c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C6CCCCC6)cc5)c5ccc([Si](C)(C)C)cc5)ccc4c(-c4ccccc4)c3c2)cc1", "similarity": 0.35658914728682173}, {"SMILES": "CC.CC=C(C=CCc1ccccc1)N(c1ccc(-c2ccc3ccc4ccccc4c3c2)cc1)c1ccc(-c2ccc3ccc4ccccc4c3c2)cc1", "similarity": 0.4975124378109453}, {"SMILES": "C=CC=Cc1c(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5ccc6ccccc6c5c4)c3)c2)cc2ccccc2c1C", "similarity": 0.48514851485148514}, {"SMILES": "C=c1ccccc1=CC.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)cc2)cc1", "similarity": 0.44206008583690987}, {"SMILES": "C=CC=CC.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)c2)cc1", "similarity": 0.4805194805194805}, {"SMILES": "CC1CC=Cc2cccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5cccc6ccccc56)C5CC=CC=CC5)cc4)cc3)c21", "similarity": 0.6264367816091954}, {"SMILES": 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0.425531914893617}, {"SMILES": "Cc1cc(N(c2ccccc2)c2ccccc2)c(C)cc1-c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12", "similarity": 0.46774193548387094}, {"SMILES": "Cc1ccc(N(c2ccc(-c3ccc(I)cc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1", "similarity": 0.47337278106508873}, {"SMILES": "CCCN(c1ccc([C+](c2ccc(N(CCC)c3c(C)cc(C)cc3C)cc2)c2ccc(Nc3c(C)cc(C)cc3C)c3ccccc23)cc1)c1c(C)cc(C)cc1C", "similarity": 0.24897959183673468}, {"SMILES": "CCC(C)C=CC=C(C=Cc1ccccc1-c1ccccc1-c1ccccc1C)c1ccc(N2c3ccccc3-c3ccccc3-c3ccccc32)cc1", "similarity": 0.31718061674008813}, {"SMILES": "Cc1cccc(N(C2=CC=CC(C)C2)c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(N(c6cccc(C)c6)c6cccc(C)c6)cc5)cc4)cc3)cc2)c1", "similarity": 0.5178571428571429}, {"SMILES": "C=Cc1c(C=CC)c2ccccc2c2cc(N(c3ccc(-c4ccc(C)c(-c5c(C)ccc(C)c5C=CCC)c4)cc3)c3cccc(C)c3)ccc12.Cc1ccccc1", "similarity": 0.38565022421524664}, {"SMILES": "C1=CC2CCC=C(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc3)C2C=C1", "similarity": 0.5885714285714285}, {"SMILES": 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"CC.N#Cc1cc(C2=CC=CCC2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4c(C#N)cc(-c5ccccc5)cc4-c4ccccc4)ccc4ccc1c2c43", "similarity": 0.404}, {"SMILES": "CC1(C)C2=C(CCC=C2)c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc4ccccc4c3)cc21", "similarity": 0.36231884057971014}, {"SMILES": "c1ccc(-c2ccccc2N(c2ccc(-c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)cc2)c2ccccc2-c2cccc3ccccc23)cc1", "similarity": 0.4951923076923077}, {"SMILES": "c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c(c4)CC(c4ccccc4)c4ccccc4-5)cc3)cc2)cc1", "similarity": 0.5260416666666666}, {"SMILES": "C1=CC(c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3CCCCC4c3ccc4ccccc4c3)c3ccccc23)Cc2ccccc21", "similarity": 0.472636815920398}, {"SMILES": "C=CC.C=CC=C(C=C)N(c1ccc(-c2ccccc2)cc1)c1cc2ccccc2c2ccccc12", "similarity": 0.38857142857142857}, {"SMILES": "C1=CC(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)CC=C1N(c1ccccc1)c1cccc2ccccc12", "similarity": 0.5478260869565217}, {"SMILES": "c1ccc(-c2ccccc2N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2cccc(-c3ccc4ccc5ccccc5c4c3)c2)cc1", "similarity": 0.5255102040816326}, {"SMILES": "CC1CC=CC=C1N(c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)cc1)c1cccc2ccccc12", "similarity": 0.5633187772925764}, {"SMILES": "c1ccc(-c2ccccc2-c2ccccc2N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1", "similarity": 0.48554913294797686}, {"SMILES": "C=C1C=CCc2ccccc2N1c1ccc2ccccc2c1.CC", "similarity": 0.23076923076923078}, {"SMILES": "CN(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C=CCC4)cc2)cc1)c1ccc2c(c1)C1CC1C=C2", "similarity": 0.43243243243243246}, {"SMILES": "CC1CC(N(c2cccc(-c3ccccc3)c2)c2cccc(-c3ccccc3)c2)=CC=C1c1ccc(N(C)c2ccc3ccccc3c2)cc1", "similarity": 0.5737704918032787}, {"SMILES": "C=CC=C(C=CCN(C)c1ccc2ccccc2c1)N(c1ccccc1)c1cccc2c1C=CCC2", "similarity": 0.3155080213903743}, {"SMILES": "CC[B]c1ccccc1-c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cccc3ccccc23)cc1", "similarity": 0.4857142857142857}, {"SMILES": 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+{"synonyms": [], "related": [{"SMILES": "CN(C)c1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1", "similarity": 0.6710526315789473}, {"SMILES": "CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1", "similarity": 0.573170731707317}, {"SMILES": "O=S(=O)(Nc1ccc(NCc2ccc(F)cc2)cc1)c1ccc(Cl)cc1", "similarity": 0.38144329896907214}, {"SMILES": "O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1", "similarity": 0.4157303370786517}], "experimental": [], "CID": 9031795, "SMILES": "CN(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2F)cc1", "SAS": 1.96, "WEIGHT": 342.06, "TPSA": 49.41, "CLOGP": 3.02, "QED": 0.91, "NUMHDONORS": 1, "NUMHACCEPTORS": 3, "NUMHETEROATOMS": 7, "NUMROTATABLEBONDS": 5, "NOCOUNT": 4, "NHOHCOUNT": 1, "RINGCOUNT": 2, "HEAVYATOMCOUNT": 22, "FRACTIONCSP3": 0.2, "NUMAROMATICRINGS": 2, "NUMSATURATEDRINGS": 0, "NUMAROMATICHETEROCYCLES": 0, "NUMAROMATICCARBOCYCLES": 2, "NUMSATURATEDHETEROCYCLES": 0, "NUMSATURATEDCARBOCYCLES": 0, "NUMALIPHATICRINGS": 0, "NUMALIPHATICHETEROCYCLES": 0, "NUMALIPHATICCARBOCYCLES": 0, "IUPAC": "4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-fluorobenzenesulfonamide", "formula": "C15H16ClFN2O2S"}
+{"synonyms": [], "related": [], "experimental": [], "CID": 155849457, "SMILES": "O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1nn(CC2CCCC2)c2c1CNCC2COCC1CC1", "SAS": 3.71, "WEIGHT": 517.2, "TPSA": 113.68, "CLOGP": 3.95, "QED": 0.49, "NUMHDONORS": 3, "NUMHACCEPTORS": 6, "NUMHETEROATOMS": 14, "NUMROTATABLEBONDS": 6, "NOCOUNT": 8, "NHOHCOUNT": 3, "RINGCOUNT": 4, "HEAVYATOMCOUNT": 35, "FRACTIONCSP3": 0.76, "NUMAROMATICRINGS": 1, "NUMSATURATEDRINGS": 2, "NUMAROMATICHETEROCYCLES": 1, "NUMAROMATICCARBOCYCLES": 0, "NUMSATURATEDHETEROCYCLES": 0, "NUMSATURATEDCARBOCYCLES": 2, "NUMALIPHATICRINGS": 3, "NUMALIPHATICHETEROCYCLES": 1, "NUMALIPHATICCARBOCYCLES": 2, "IUPAC": "1-(cyclopentylmethyl)-7-(cyclopropylmethoxymethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid", "formula": "C21H29F6N3O5"}
+{"synonyms": [{"name": "SCHEMBL7314711"}, {"name": "N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-difluorobenzenesulfonamide"}], "related": [{"SMILES": "O=S(=O)(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(Cl)cc1", "similarity": 0.6907216494845361}, {"SMILES": "NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2c(F)c(F)cc(F)c2F)cc1", "similarity": 0.46788990825688076}, {"SMILES": "O=S(=O)(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1", "similarity": 0.44339622641509435}, {"SMILES": "O=S(=O)(Nc1cc(C(F)(F)F)nn1-c1ccc(F)cc1)c1ccccc1", "similarity": 0.49038461538461536}, {"SMILES": "Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1", "similarity": 0.42857142857142855}, {"SMILES": "Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1c(F)cccc1F", "similarity": 0.3217391304347826}], "experimental": [], "CID": 9804800, "SMILES": "O=S(=O)(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cc(F)cc(F)c1", "SAS": 2.54, "WEIGHT": 471.03, "TPSA": 63.99, "CLOGP": 4.99, "QED": 0.55, "NUMHDONORS": 1, "NUMHACCEPTORS": 4, "NUMHETEROATOMS": 14, "NUMROTATABLEBONDS": 4, "NOCOUNT": 5, "NHOHCOUNT": 1, "RINGCOUNT": 3, "HEAVYATOMCOUNT": 31, "FRACTIONCSP3": 0.12, "NUMAROMATICRINGS": 3, "NUMSATURATEDRINGS": 0, "NUMAROMATICHETEROCYCLES": 1, "NUMAROMATICCARBOCYCLES": 2, "NUMSATURATEDHETEROCYCLES": 0, "NUMSATURATEDCARBOCYCLES": 0, "NUMALIPHATICRINGS": 0, "NUMALIPHATICHETEROCYCLES": 0, "NUMALIPHATICCARBOCYCLES": 0, "IUPAC": "N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-difluorobenzenesulfonamide", "formula": "C17H9F8N3O2S"}
+{"synonyms": [{"name": "AKOS017641613"}], "related": [{"SMILES": "c1ccc(CCCCN2CCNN2)nc1", "similarity": 0.2753623188405797}, {"SMILES": "C(C=Cc1ccn[nH]1)=Cc1ccccn1", "similarity": 0.2571428571428571}, {"SMILES": "c1ccc(Nn2cccc2)cc1", "similarity": 0.2153846153846154}, {"SMILES": "CNN=Cc1ccccn1", "similarity": 0.2857142857142857}, {"SMILES": "CN(N)Cc1ccccn1", "similarity": 0.36538461538461536}, {"SMILES": "CCC1C=C(c2ccccn2)NN1", "similarity": 0.2857142857142857}], "experimental": [], "CID": 79090915, "SMILES": "Cc1ccc(C)n1NCc1ccccn1", "SAS": 2.45, "WEIGHT": 201.13, "TPSA": 29.85, "CLOGP": 2.24, "QED": 0.82, "NUMHDONORS": 1, "NUMHACCEPTORS": 3, "NUMHETEROATOMS": 3, "NUMROTATABLEBONDS": 3, "NOCOUNT": 3, "NHOHCOUNT": 1, "RINGCOUNT": 2, "HEAVYATOMCOUNT": 15, "FRACTIONCSP3": 0.25, "NUMAROMATICRINGS": 2, "NUMSATURATEDRINGS": 0, "NUMAROMATICHETEROCYCLES": 2, "NUMAROMATICCARBOCYCLES": 0, "NUMSATURATEDHETEROCYCLES": 0, "NUMSATURATEDCARBOCYCLES": 0, "NUMALIPHATICRINGS": 0, "NUMALIPHATICHETEROCYCLES": 0, "NUMALIPHATICCARBOCYCLES": 0, "IUPAC": "2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrrol-1-amine", "formula": "C12H15N3"}
+{"synonyms": [], "related": [{"SMILES": "CCCCC(CC)C(=O)NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1", "similarity": 0.7876106194690266}, {"SMILES": "COC(=O)C(Cc1ccc(OCCc2ccccc2)cc1)NC(C)=O", "similarity": 0.42016806722689076}, {"SMILES": "CC1CCCN1CC(=O)NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccc(F)cc2)cc1", "similarity": 0.6015625}, {"SMILES": "CC(=O)OCC(=O)NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1", "similarity": 0.7818181818181819}, {"SMILES": "COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCC(NC(=O)OC(C)(C)C)CC1", "similarity": 0.3576158940397351}, {"SMILES": "COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)Cc1ccc(F)cc1F", "similarity": 0.46511627906976744}, {"SMILES": "CCC(C)C1NC(=O)C(NC(=O)C(Cc2ccccc2)N(C)C)C(c2ccccc2)Oc2ccc(cc2)C=CNC1=O", "similarity": 0.3395061728395062}], "experimental": [], "CID": 58522979, "SMILES": "CCC(C)CC(=O)NC(COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1", "SAS": 2.94, "WEIGHT": 459.24, "TPSA": 64.63, "CLOGP": 5.73, "QED": 0.35, "NUMHDONORS": 1, "NUMHACCEPTORS": 4, "NUMHETEROATOMS": 5, "NUMROTATABLEBONDS": 13, "NOCOUNT": 5, "NHOHCOUNT": 1, "RINGCOUNT": 3, "HEAVYATOMCOUNT": 34, "FRACTIONCSP3": 0.31, "NUMAROMATICRINGS": 3, "NUMSATURATEDRINGS": 0, "NUMAROMATICHETEROCYCLES": 0, "NUMAROMATICCARBOCYCLES": 3, "NUMSATURATEDHETEROCYCLES": 0, "NUMSATURATEDCARBOCYCLES": 0, "NUMALIPHATICRINGS": 0, "NUMALIPHATICHETEROCYCLES": 0, "NUMALIPHATICCARBOCYCLES": 0, "IUPAC": "3-methyl-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]pentanamide", "formula": "C29H33NO4"}
+{"synonyms": [], "related": [{"SMILES": "Cc1cc(C)c(C=CC(O)CC(O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1", "similarity": 0.33035714285714285}, {"SMILES": "Cc1cccc(-c2cc(C)c(F)c(C)c2C=CC(O)CC(=O)CC(=O)OC(C)(C)C)c1", "similarity": 0.25196850393700787}, {"SMILES": "CC(C)(C)C(C=CC(O)CC(O)CC(=O)O)=C(c1ccc(F)cc1)c1ccc(F)cc1", "similarity": 0.40350877192982454}, {"SMILES": "Cc1cc(C)c(C=CC(O)CC(O)CC(=O)[O-])c(-c2ccc(F)c(C)c2)c1", "similarity": 0.33035714285714285}, {"SMILES": "Cc1cc(C)c(C=CC(O)CC(=O)CC(=O)[O-])c(-c2ccc(F)c(C)c2)c1", "similarity": 0.24166666666666667}, {"SMILES": "Cc1cc(F)ccc1C(=C(C=CC(O)CC(O)CC(=O)O)C(C)C)c1ccc(F)cc1C", "similarity": 0.33884297520661155}, {"SMILES": "CC1(C)C(C=CC(O)CC(O)CC(=O)O)=C(c2ccc(F)cc2)CC1c1ccccc1.[Na]", "similarity": 0.46846846846846846}, {"SMILES": "COC(=O)CC(=O)CC(O)C=CC1=C(c2ccc(F)cc2)C=C(c2ccccc2)C12CCCC2", "similarity": 0.3951612903225806}, {"SMILES": "CCC(CC)(c1ccc(F)cc1)c1ccc(C=CC(O)CC(O)CC(=O)[O-])cc1.[Na+]", "similarity": 0.4672897196261682}, {"SMILES": "CCC(CC)(c1ccc(C=CC(O)CC(O)CC(=O)[O-])c(C(C)C)c1)c1ccccc1F.[Na+]", "similarity": 0.4260869565217391}], "experimental": [], "CID": 14010625, "SMILES": "COC(=O)CC(O)CC(O)C=Cc1ccccc1CCc1ccc(F)cc1", "SAS": 3.07, "WEIGHT": 372.17, "TPSA": 66.76, "CLOGP": 3.3, "QED": 0.66, "NUMHDONORS": 2, "NUMHACCEPTORS": 4, "NUMHETEROATOMS": 5, "NUMROTATABLEBONDS": 9, "NOCOUNT": 4, "NHOHCOUNT": 2, "RINGCOUNT": 2, "HEAVYATOMCOUNT": 27, "FRACTIONCSP3": 0.32, "NUMAROMATICRINGS": 2, "NUMSATURATEDRINGS": 0, "NUMAROMATICHETEROCYCLES": 0, "NUMAROMATICCARBOCYCLES": 2, "NUMSATURATEDHETEROCYCLES": 0, "NUMSATURATEDCARBOCYCLES": 0, "NUMALIPHATICRINGS": 0, "NUMALIPHATICHETEROCYCLES": 0, "NUMALIPHATICCARBOCYCLES": 0, "IUPAC": "methyl (E,3R,5S)-7-[2-[2-(4-fluorophenyl)ethyl]phenyl]-3,5-dihydroxyhept-6-enoate", "formula": "C22H25FO4"}
diff --git a/torchtitan/aim.py b/torchtitan/aim.py
index ac9a7f3f..f45a6fdc 100644
--- a/torchtitan/aim.py
+++ b/torchtitan/aim.py
@@ -17,9 +17,9 @@ def __init__(
         capture_terminal_logs: Optional[bool] = True,
         run_name: Optional[str] = None,
         run_hash: Optional[str] = None,
-        train_metric_prefix: Optional[str] = 'train_',
-        val_metric_prefix: Optional[str] = 'val_',
-        test_metric_prefix: Optional[str] = 'test_',
+        train_metric_prefix: Optional[str] = 'train/',
+        val_metric_prefix: Optional[str] = 'val/',
+        test_metric_prefix: Optional[str] = 'test/',
     ):
         super().__init__()
 
@@ -73,14 +73,14 @@ def log_metrics(self, metrics: Dict[str, float], step: Optional[int] = None):
             name = k
             context = {}
             if self._train_metric_prefix and name.startswith(self._train_metric_prefix):
-                name = name[len(self._train_metric_prefix) :]
                 context['subset'] = 'train'
+                name = name[len(self._train_metric_prefix) :]
             elif self._test_metric_prefix and name.startswith(self._test_metric_prefix):
-                name = name[len(self._test_metric_prefix) :]
                 context['subset'] = 'test'
+                name = name[len(self._test_metric_prefix) :]
             elif self._val_metric_prefix and name.startswith(self._val_metric_prefix):
-                name = name[len(self._val_metric_prefix) :]
                 context['subset'] = 'val'
+                name = name[len(self._val_metric_prefix) :]
             self.experiment.track(v, name=name, step=step, context=context)
 
     def finalize(self) -> None:
diff --git a/torchtitan/config_manager.py b/torchtitan/config_manager.py
index 4aa564b6..96717477 100644
--- a/torchtitan/config_manager.py
+++ b/torchtitan/config_manager.py
@@ -129,6 +129,7 @@ def __init__(self):
         )
         self.parser.add_argument(
             "--metrics.enable_aim",
+            default=False,
             action="store_true",
             help="Whether to log metrics to aim",
         )
@@ -205,14 +206,9 @@ def __init__(self):
         )
         self.parser.add_argument(
             "--training.data_processing_style",
-            choices=["chemlactica_style"],
-            default="chemlactica_style",
             help="""
                 Specifies the method for processing data prior to tokenization.""",
         )
-        self.parser.add_argument(
-            "--training.batch_size", type=int, default=8, help="Batch size"
-        )
         self.parser.add_argument(
             "--training.gradient_accumulation_steps",
             type=int,
@@ -390,6 +386,28 @@ def __init__(self):
             help="Python garbage control scheduling interval, in steps",
         )
 
+        # validation configs
+        self.parser.add_argument(
+            "--validation.batch_size", type=int, default=None
+        )
+        self.parser.add_argument(
+            "--validation.dataset", type=str, help="Dataset to use", default=None
+        )
+        self.parser.add_argument(
+            "--validation.dataset_path",
+            type=str,
+            help="""
+                Path to the dataset for validation in the file system. If provided, data will be
+                loaded from this path instead of downloaded.""",
+            default=None,
+        )
+        self.parser.add_argument(
+            "--validation.valid_freq", type=int, default=1024, help="How often to evaluate the model and log metrics to aim."
+        )
+        self.parser.add_argument(
+            "--validation.enable_valid", type=bool, default=False, help="Whether to do validation."
+        )
+
         # checkpointing configs
         self.parser.add_argument(
             "--checkpoint.enable_checkpoint",
diff --git a/torchtitan/datasets/hf_datasets.py b/torchtitan/datasets/hf_datasets.py
index 582503c7..d3760792 100644
--- a/torchtitan/datasets/hf_datasets.py
+++ b/torchtitan/datasets/hf_datasets.py
@@ -6,7 +6,6 @@
 
 import pickle
 from typing import Any, Dict, List, Optional
-from pathlib import Path
 import glob
 import os
 
@@ -26,7 +25,7 @@
 
 from torchtitan.tokenizers.tokenizer import Tokenizer
 from torchtitan.logging import logger
-from torchtitan.utils.dataset_utils import chemlactica_style_data_processing,create_fresh_file_store
+from torchtitan.utils.dataset_utils import chemlactica_style_data_processing
 
 from datasets import load_dataset
 from datasets.distributed import split_dataset_by_node
@@ -34,10 +33,15 @@
 # map from dataset name to a local directory, or
 # a dataset repository on the HF hub
 _supported_datasets = {
+    # train
     "c4_test": "test/assets/c4_test",
     "c4": "allenai/c4",
     "chemlactica_train_mini": "test/assets/chemlactica_train_mini",
-    "chemlactica_train": "/nfs/dgx/raid/chem/data/rdkit_computed_rel+form/train_rdkit_computed_rel+form"
+    "chemlactica_train": "/nfs/dgx/raid/chem/data/rdkit_computed_rel+form/train_rdkit_computed_rel+form",
+
+    # valid
+    "chemlactica_valid": "/nfs/dgx/raid/chem/data/rdkit_computed_rel+form",
+    "chemlactica_valid_mini": "test/assets/chemlactica_valid_mini"
 }
 
 _supported_data_processing_styles = {
@@ -93,7 +97,6 @@ def __init__(
         rank: int = 0,
         infinite: bool = False,
         special_mode = None,
-        store = None,
     ) -> None:
         # allow user to pass in a (local or HF hub) path to use unsupported datasets
         if dataset_name not in _supported_datasets:
@@ -120,13 +123,13 @@ def __init__(
             ds = load_dataset(dataset_path, split="train")
         else:
             dataset_files = glob.glob(os.path.join(dataset_path, "*.jsonl"))
-            ds = load_dataset("text", data_files=dataset_files, split="train", streaming=True)
+            ds = load_dataset("text", data_files=dataset_files, split="train", streaming="valid" not in dataset_name)
+        
         try:
             data_processing_fn = _supported_data_processing_styles[data_processing_style]
         except KeyError as e:
             raise ValueError(f"Unsupported data processing style: {data_processing_style}")
-        # data_processing_fn = lambda x, e: str(x)
-
+        
         # TODO: support shuffling and checkpointing
         self.dataset_name = dataset_name
         self._data = split_dataset_by_node(ds, rank, world_size)
@@ -138,12 +141,6 @@ def __init__(
         self.world_size = world_size
         self.representation_type = representation_type
 
-        # for non sync communication between ranks
-        if not self.infinite and store:
-            self.store = store
-        else:
-            self.store = None
-    
         # variables for checkpointing
         self._sample_idx = 0
         self._all_tokens: List[int] = []
@@ -154,12 +151,6 @@ def __init__(
         # debugging dataloader yielding
         self.special_mode = str(special_mode)
 
-    def _some_rank_finished(self) -> bool:
-        if not self.infinite and self.store.num_keys() > 1: # one key used for coordination, more than one means one of the ranks exhausted data
-            return True
-        else:
-            return False
-
     def __iter__(self):
         max_buffer_token_len = 1 + self.seq_len
 
@@ -171,8 +162,6 @@ def __iter__(self):
                 continue
 
             for sample_json in self._get_data_iter():
-                if self._some_rank_finished():
-                    break
                 sample_text = self.data_processing_fn(sample_json, self.rng, self.representation_type)
                 sample_tokens = self._tokenizer.encode(sample_text, bos=True, eos=True)
                 self._all_tokens.extend(sample_tokens)
@@ -187,9 +176,7 @@ def __iter__(self):
                     yield input, label
 
             if not self.infinite:
-                self.store.set(str(self.rank),"Done")
                 logger.warning(f"Dataset {self.dataset_name} has run out of data")
-                self.store.wait([str(k) for k in range(self.world_size)]) # making sure all ranks get to this point
                 break
             else:
                 # Reset offset for the next iteration
@@ -261,16 +248,9 @@ def build_hf_data_loader(
     pin_memory: bool = False,
     num_workers: int = 2,
     special_mode = None,
-    context = "train",
 ):
-    if not infinite:
-        store_identifier = f"rankstore_{context}_{dataset_name}"
-        data_completion_store = create_fresh_file_store(store_identifier,world_size)
-    else:
-        data_completion_store = None
-
     hf_ds = HuggingFaceDataset(
-        dataset_name, dataset_path, data_processing_style, tokenizer, representation_type, seq_len, world_size, rank, infinite, special_mode,store = data_completion_store
+        dataset_name, dataset_path, data_processing_style, tokenizer, representation_type, seq_len, world_size, rank, infinite, special_mode
     )
 
     return DPAwareDataLoader(rank, hf_ds, batch_size=batch_size, pin_memory=pin_memory, num_workers=num_workers)
diff --git a/torchtitan/utils/common_utils.py b/torchtitan/utils/common_utils.py
index 3ed74d13..f958014b 100644
--- a/torchtitan/utils/common_utils.py
+++ b/torchtitan/utils/common_utils.py
@@ -9,6 +9,7 @@
 from dataclasses import dataclass
 from datetime import timedelta
 from typing import Union
+import contextlib
 
 import torch
 import torch.distributed._functional_collectives as funcol
@@ -17,6 +18,21 @@
 from torchtitan.logging import logger
 
 
+def get_train_context(enable_loss_parallel: bool, enable_compiled_autograd: bool):
+    @contextlib.contextmanager
+    def context():
+        with contextlib.ExitStack() as stack:
+            if enable_loss_parallel:
+                stack.enter_context(torch.distributed.tensor.parallel.loss_parallel())
+            if enable_compiled_autograd:
+                stack.enter_context(
+                    torch._dynamo.utils.maybe_enable_compiled_autograd(True)
+                )
+            yield
+
+    return context
+
+
 def dist_max(x: Union[int, float], mesh: DeviceMesh) -> float:
     tensor = torch.tensor(x).cuda()
     return funcol.all_reduce(tensor, reduceOp=c10d.ReduceOp.MAX.name, group=mesh).item()
@@ -133,6 +149,17 @@ def get_num_flop_per_token(num_params: int, model_config, seq_len) -> int:
     return flop_per_token
 
 
+def get_num_flop_per_token_forward(num_params: int, model_config, seq_len) -> int:
+    l, h, q, t = (
+        model_config.n_layers,
+        model_config.n_heads,
+        model_config.dim // model_config.n_heads,
+        seq_len,
+    )
+    flop_per_token = 2 * num_params + 4 * l * h * q * t
+    return flop_per_token
+
+
 # hardcoded BF16 type peak flops for NVIDIA A100 and H100 GPU
 def get_peak_flops(device_name: str) -> int:
     if "A100" in device_name:
diff --git a/torchtitan/utils/dataset_utils.py b/torchtitan/utils/dataset_utils.py
index c397ee4c..26dd7185 100644
--- a/torchtitan/utils/dataset_utils.py
+++ b/torchtitan/utils/dataset_utils.py
@@ -8,16 +8,6 @@
 import os
 from pathlib import Path
 
-TEMPORARY_FILES_PATH = Path('/tmp')
-
-def create_fresh_file_store(store_identifier: str, world_size: int):
-    store_file = TEMPORARY_FILES_PATH.joinpath(store_identifier)
-    if store_file.exists():
-        store_file.unlink() # we want to always remove prior files since they don't correspond
-
-    stop_ranks_store = torch.distributed.FileStore(str(store_file),world_size)
-    return stop_ranks_store
-
 
 def load_jsonl_line(jsonl_line):
     try:
diff --git a/torchtitan/validation.py b/torchtitan/validation.py
new file mode 100644
index 00000000..4fc8a193
--- /dev/null
+++ b/torchtitan/validation.py
@@ -0,0 +1,145 @@
+import gc
+import os
+import time
+from logging import Logger
+from typing import Any, List, Union
+
+import torch
+import torch.distributed as dist
+from torch.nn.functional import cross_entropy
+
+from torchtitan.checkpoint import TrainState
+from torchtitan.datasets.hf_datasets import DPAwareDataLoader
+from torchtitan.metrics import GPUMemoryMonitor, MetricLogger
+from torchtitan.parallelisms import ParallelDims
+from torchtitan.utils import common_utils as utils
+
+
+def loss_fn(pred, labels):
+    return cross_entropy(pred.flatten(0, 1), labels.flatten(0, 1))
+
+
+def validate(
+    model: Any,  # otherwise would have to update union type for every architecture
+    data_loader: DPAwareDataLoader,
+    logger: Logger,
+    metric_logger: MetricLogger,
+    parallel_dims: ParallelDims,
+    gc_handler: utils.GarbageCollection,
+    gpu_memory_monitor: GPUMemoryMonitor,
+    color: Union[utils.Color, utils.NoColor],
+    train_step: int,  # for aim tracking of evaluation to be tracked correctly
+    num_flop_per_token: int,
+    gpu_peak_flops: int,
+    dp_rank: int,
+    dp_mesh,
+    world_size: int,
+    enable_compiled_autograd: bool,
+    device: str
+):
+    model.eval()
+    time_last_log = (
+        time.perf_counter()
+    )  # we are swiching to validation so we don't calculate time in transition
+    gpu_memory_monitor.reset_peak_stats()
+    eval_state = TrainState()
+    total_n_tokens = 0
+    total_loss = 0
+    total_perplexity = 0
+
+    total_eval_time = 0
+    total_data_loading_time = 0
+
+    val_data_iterator = iter(data_loader)
+
+    train_context = utils.get_train_context(
+        parallel_dims.loss_parallel_enabled,
+        enable_compiled_autograd,
+    )
+
+    eval_state.step = 0
+    while True:
+        eval_state.step += 1
+        gc_handler.run(eval_state.step)
+
+        # get batch
+        data_load_start = time.perf_counter()
+        logger.debug("validation step")
+
+        batch = next(val_data_iterator, None)
+        # create a binary array representing if the ith rank has exhausted its data
+        dataloader_finished_status = torch.zeros(world_size).to(device)
+        if not batch:
+            dataloader_finished_status[dp_rank] = 1
+
+        dist.all_reduce(dataloader_finished_status)
+        if dataloader_finished_status.sum() > 0:
+            break
+
+        input_ids, labels = batch
+
+        n_tokens_in_curr = labels.numel()
+        input_ids = input_ids.cuda()
+        labels = labels.cuda()
+
+        with train_context(), torch.no_grad():
+            logger.debug("enter context")
+            total_n_tokens += n_tokens_in_curr  # we only add to the total tokens if we actually run a prediction
+            total_data_loading_time += time.perf_counter() - data_load_start
+            pred = model(input_ids)
+            loss = loss_fn(pred, labels)
+            del pred
+
+        time_delta = time.perf_counter() - time_last_log
+        total_eval_time += time_delta
+        total_loss += loss
+        total_perplexity += 2**loss
+        wps = n_tokens_in_curr / (time_delta * parallel_dims.model_parallel_size)
+        mfu = 100 * num_flop_per_token * wps / gpu_peak_flops
+        gpu_mem_stats = gpu_memory_monitor.get_peak_stats()
+
+        logger.info(
+            "context: valid  "
+            f"{color.cyan}step: {eval_state.step}  "
+            f"{color.green}loss: {loss:7.4f}  "
+            f"{color.yellow}memory: {gpu_mem_stats.max_reserved_gib:5.2f}GiB"
+            f"({gpu_mem_stats.max_reserved_pct:.2f}%)  "
+            f"{color.blue}wps: {round(wps):,}  "
+            f"{color.magenta}mfu: {mfu:.2f}%{color.reset}"
+        )
+        time_last_log = time.perf_counter()
+
+    avg_time_end_to_end = total_eval_time / eval_state.step
+    gpu_mem_stats = gpu_memory_monitor.get_peak_stats()
+
+    global_total_loss = utils.dist_mean(total_loss, dp_mesh)
+    global_total_perplexity = utils.dist_mean(total_perplexity, dp_mesh)
+    
+    metrics = {
+        "valid/loss_metrics/global_avg_loss": global_total_loss / eval_state.step,
+        "valid/loss_metrics/global_avg_perplexity": global_total_perplexity / eval_state.step,
+        "valid/wps": total_n_tokens / total_eval_time,
+        "valid/mfu(%)": 100
+        * num_flop_per_token
+        * (total_n_tokens / total_eval_time)
+        / gpu_peak_flops,
+        "valid/time_metrics/end_to_end(s)": avg_time_end_to_end,
+        "valid/time_metrics/data_loading(s)": total_data_loading_time,
+        "valid/time_metrics/data_loading(%)": total_data_loading_time / total_eval_time,
+        "valid/memory/max_active(GiB)": gpu_mem_stats.max_active_gib,
+        "valid/memory/max_active(%)": gpu_mem_stats.max_active_pct,
+        "valid/memory/max_reserved(GiB)": gpu_mem_stats.max_reserved_gib,
+        "valid/memory/max_reserved(%)": gpu_mem_stats.max_reserved_pct,
+        "valid/memory/num_alloc_retries": gpu_mem_stats.num_alloc_retries,
+        "valid/memory/num_ooms": gpu_mem_stats.num_ooms,
+    }
+    metric_logger.log(metrics, step=train_step)
+    gpu_memory_monitor.reset_peak_stats()
+
+    if loss:
+        del loss
+
+    del val_data_iterator, data_loader
+
+    gc_handler.run(gc_handler.gc_freq) # gc at the end
+    model.train()
diff --git a/train.py b/train.py
index 797fca61..2efabb73 100644
--- a/train.py
+++ b/train.py
@@ -4,10 +4,8 @@
 # This source code is licensed under the BSD-style license found in the
 # LICENSE file in the root directory of this source tree.
 
-import contextlib
 import os
 import time
-import logging
 from datetime import timedelta
 
 import torch
@@ -27,26 +25,12 @@
     model_name_to_weights_download_fns,
     model_name_to_weights_export_fns,
     model_name_to_tokenizer,
-    models_config
+    models_config,
 )
 from torchtitan.optimizer import build_lr_schedulers, build_optimizers
 from torchtitan.parallelisms import models_parallelize_fns, ParallelDims
 from torchtitan.profiling import maybe_enable_memory_snapshot, maybe_enable_profiling
-
-
-def get_train_context(enable_loss_parallel: bool, enable_compiled_autograd: bool):
-    @contextlib.contextmanager
-    def context():
-        with contextlib.ExitStack() as stack:
-            if enable_loss_parallel:
-                stack.enter_context(torch.distributed.tensor.parallel.loss_parallel())
-            if enable_compiled_autograd:
-                stack.enter_context(
-                    torch._dynamo.utils.maybe_enable_compiled_autograd(True)
-                )
-            yield
-
-    return context
+from torchtitan.validation import validate
 
 
 # Enable debug tracing on failure: https://pytorch.org/docs/stable/elastic/errors.html
@@ -92,7 +76,7 @@ def main(job_config: JobConfig):
     tokenizer_type = model_name_to_tokenizer[model_name]
     tokenizer = build_tokenizer(tokenizer_type, job_config.model.tokenizer_path)
 
-    # build dataloader
+    # build training dataloader
     representation_type = job_config.training.representation_type
     data_loader = build_hf_data_loader(
         job_config.training.dataset,
@@ -109,6 +93,28 @@ def main(job_config: JobConfig):
         special_mode = job_config.dataloader.special_mode,
     )
 
+    if not job_config.validation.batch_size:
+        logger.info("Validation batch size not specified, training batch size is used.")
+        job_config.validation.batch_size = job_config.training.batch_size
+
+    if job_config.validation.enable_valid:
+        # build validation dataloader
+        valid_data_loader = build_hf_data_loader(
+            job_config.validation.dataset,
+            job_config.validation.dataset_path,
+            job_config.training.data_processing_style,
+            tokenizer,
+            job_config.validation.batch_size,
+            job_config.training.seq_len,
+            dp_degree,
+            dp_rank,
+            representation_type,
+            infinite=False,
+            pin_memory=job_config.dataloader.pin_memory,
+            num_workers=job_config.dataloader.num_workers,
+            special_mode=job_config.dataloader.special_mode,
+        )
+
     # build model (using meta init)
     model_cls = model_name_to_cls[model_name]
     model_config = models_config[model_name][job_config.model.flavor]
@@ -131,9 +137,10 @@ def main(job_config: JobConfig):
         ), "Must create seed-checkpoint using one gpu, to disable sharding"
         model.to_empty(device=init_device)
         model_name_to_weights_download_fns[model_name](
-            model, weights_path=job_config.checkpoint.load_folder,
+            model,
+            weights_path=job_config.checkpoint.load_folder,
             source=job_config.model_download_export.weights_source,
-            token_embedding_size=model_config.vocab_size
+            token_embedding_size=model_config.vocab_size,
         )
 
     # a no-op hander if float8 is not enabled
@@ -143,11 +150,19 @@ def main(job_config: JobConfig):
 
     # log model size
     model_param_count = utils.get_num_params(model)
+
     num_flop_per_token = utils.get_num_flop_per_token(
         utils.get_num_params(model, exclude_embedding=True),
         model_config,
         job_config.training.seq_len,
     )
+
+    num_flop_per_token_val = utils.get_num_flop_per_token_forward(
+        utils.get_num_params(model, exclude_embedding=True),
+        model_config,
+        job_config.training.seq_len,
+    )
+
     logger.info(
         f"{color.blue}Model {model_name} {job_config.model.flavor} "
         f"{color.red}size: {model_param_count:,} total parameters{color.reset}"
@@ -219,15 +234,17 @@ def loss_fn(pred, labels):
         ), "Must create seed-checkpoint using one gpu, to disable sharding"
         model_name_to_weights_export_fns[model_name](
             model,
-            save_dir=os.path.join(job_config.job.dump_folder, job_config.checkpoint.save_folder),
-            token_embedding_size=model_config.vocab_size
+            save_dir=os.path.join(
+                job_config.job.dump_folder, job_config.checkpoint.save_folder
+            ),
+            token_embedding_size=model_config.vocab_size,
         )
         logger.info("Created huggingface checkpoint")
         return
 
     data_iterator = iter(data_loader)
 
-    train_context = get_train_context(
+    train_context = utils.get_train_context(
         parallel_dims.loss_parallel_enabled,
         job_config.experimental.enable_compiled_autograd,
     )
@@ -268,15 +285,17 @@ def loss_fn(pred, labels):
             logger.debug("step")
 
             for _ in range(job_config.training.gradient_accumulation_steps):
-                batch = next(data_iterator,None)
+                batch = next(data_iterator, None)
                 if not batch:
                     force_finish_train = True
                     break
                 input_ids, labels = batch
+
                 ntokens_since_last_log += labels.numel()
                 input_ids = input_ids.cuda()
                 labels = labels.cuda()
                 data_loading_times.append(time.perf_counter() - data_load_start)
+                logger.debug(f"before model forward {train_state.step}")
 
                 with train_context():
                     logger.debug("enter context")
@@ -286,12 +305,12 @@ def loss_fn(pred, labels):
                     # need to free to before bwd to avoid peaking memory
                     del pred
                     loss.backward()
-                
+
                 for m in model_parts:
                     torch.nn.utils.clip_grad_norm_(
                         m.parameters(), job_config.training.max_norm, foreach=True
                     )
-                    
+
             if force_finish_train:
                 break
 
@@ -309,7 +328,7 @@ def loss_fn(pred, labels):
 
             losses_since_last_log.append(loss)
 
-            # log metrics
+            # log train metrics
             if (
                 train_state.step == 1
                 or train_state.step % job_config.metrics.log_freq == 0
@@ -319,7 +338,10 @@ def loss_fn(pred, labels):
                 perplexities = [2 ** loss.item() for loss in losses_since_last_log]
 
                 avg_loss, max_loss = sum(losses) / len(losses), max(losses)
-                avg_perplexity, max_perplexity = sum(perplexities) / len(perplexities), max(perplexities)
+                avg_perplexity, max_perplexity = (
+                    sum(perplexities) / len(perplexities),
+                    max(perplexities),
+                )
 
                 if parallel_dims.dp_enabled:
                     global_avg_loss, global_max_loss = (
@@ -332,7 +354,10 @@ def loss_fn(pred, labels):
                     )
                 else:
                     global_avg_loss, global_max_loss = avg_loss, max_loss
-                    global_avg_perplexity, global_max_perplexity = avg_perplexity, max_perplexity
+                    global_avg_perplexity, global_max_perplexity = (
+                        avg_perplexity,
+                        max_perplexity,
+                    )
 
                 # update train state
                 train_state.log_steps.append(train_state.step)
@@ -359,33 +384,32 @@ def loss_fn(pred, labels):
                 gpu_mem_stats = gpu_memory_monitor.get_peak_stats()
 
                 metrics = {
-                    "loss_metrics/global_avg_loss": global_avg_loss,
-                    "loss_metrics/global_max_loss": global_max_loss,
-                    "loss_metrics/global_avg_perplexity": global_avg_perplexity,
-                    "loss_metrics/global_max_perplexity": global_max_perplexity,
-                    "wps": wps,
-                    "mfu(%)": mfu,
-                    "lr": lr_schedulers.last_lr,
-                    "time_metrics/end_to_end(s)": time_end_to_end,
-                    "time_metrics/data_loading(s)": time_data_loading,
-                    "time_metrics/data_loading(%)": time_data_loading_pct,
-                    "memory/max_active(GiB)": gpu_mem_stats.max_active_gib,
-                    "memory/max_active(%)": gpu_mem_stats.max_active_pct,
-                    "memory/max_reserved(GiB)": gpu_mem_stats.max_reserved_gib,
-                    "memory/max_reserved(%)": gpu_mem_stats.max_reserved_pct,
-                    "memory/num_alloc_retries": gpu_mem_stats.num_alloc_retries,
-                    "memory/num_ooms": gpu_mem_stats.num_ooms,
+                    "train/loss_metrics/global_avg_loss": global_avg_loss,
+                    "train/loss_metrics/global_max_loss": global_max_loss,
+                    "train/loss_metrics/global_avg_perplexity": global_avg_perplexity,
+                    "train/loss_metrics/global_max_perplexity": global_max_perplexity,
+                    "train/wps": wps,
+                    "train/mfu(%)": mfu,
+                    "train/time_metrics/end_to_end(s)": time_end_to_end,
+                    "train/time_metrics/data_loading(s)": time_data_loading,
+                    "train/time_metrics/data_loading(%)": time_data_loading_pct,
+                    "train/memory/max_active(GiB)": gpu_mem_stats.max_active_gib,
+                    "train/memory/max_active(%)": gpu_mem_stats.max_active_pct,
+                    "train/memory/max_reserved(GiB)": gpu_mem_stats.max_reserved_gib,
+                    "train/memory/max_reserved(%)": gpu_mem_stats.max_reserved_pct,
+                    "train/memory/num_alloc_retries": gpu_mem_stats.num_alloc_retries,
+                    "train/memory/num_ooms": gpu_mem_stats.num_ooms,
                 }
                 metric_logger.log(metrics, step=train_state.step)
 
                 logger.info(
+                    "context: train  "
                     f"{color.cyan}step: {train_state.step:2}  "
                     f"{color.green}loss: {global_avg_loss:7.4f}  "
                     f"{color.yellow}memory: {gpu_mem_stats.max_reserved_gib:5.2f}GiB"
                     f"({gpu_mem_stats.max_reserved_pct:.2f}%)  "
                     f"{color.blue}wps: {round(wps):,}  "
-                    f"{color.magenta}mfu: {mfu:.2f}%  "
-                    f"{color.red}lr: {lr_schedulers.last_lr:.3e}{color.reset}"
+                    f"{color.magenta}mfu: {mfu:.2f}%{color.reset}"
                 )
 
                 losses_since_last_log.clear()
@@ -394,6 +418,30 @@ def loss_fn(pred, labels):
                 time_last_log = time.perf_counter()
                 gpu_memory_monitor.reset_peak_stats()
 
+            # log val metrics
+            if job_config.validation.enable_valid and (
+                train_state.step == 0
+                or train_state.step % job_config.validation.valid_freq == 0
+            ):
+                validate(
+                    model,
+                    valid_data_loader,
+                    logger,
+                    metric_logger,
+                    parallel_dims,
+                    gc_handler,
+                    gpu_memory_monitor,
+                    color,
+                    train_state.step,
+                    num_flop_per_token_val,
+                    gpu_peak_flops,
+                    dp_rank,
+                    dp_mesh,
+                    world_size,
+                    job_config.experimental.enable_compiled_autograd,
+                    device
+                )
+
             checkpoint.save(
                 train_state.step, force=(train_state.step == job_config.training.steps)
             )
diff --git a/train_configs/chemlactica_1.3b.toml b/train_configs/chemlactica_1.3b.toml
index 58d5bf15..973bb814 100644
--- a/train_configs/chemlactica_1.3b.toml
+++ b/train_configs/chemlactica_1.3b.toml
@@ -43,7 +43,7 @@ compile = true
 # dataset = "c4"  # supported datasets: c4_test (2K), c4 (177M)
 # dataset = "chemlactica_train_mini"  # supported datasets: c4_test (2K), c4 (177M), chemlactica_train_mini (4K)
 dataset = "chemlactica_train"
-data_process_style="chemlactica_style"
+data_processing_style="chemlactica_style"
 
 [experimental]
 pipeline_parallel_degree = 1
diff --git a/train_configs/chemlactica_125m.toml b/train_configs/chemlactica_125m.toml
index 35d19872..6dd87259 100644
--- a/train_configs/chemlactica_125m.toml
+++ b/train_configs/chemlactica_125m.toml
@@ -17,8 +17,6 @@ log_freq = 1
 enable_color_printing = true
 enable_aim = true
 save_aim_folder = "aim"
-#aim_hash = "c6b4d8b340f74287b82ef928"
-#aim_experiment_name = "hello"
 
 [model]
 name = "opt"
@@ -32,8 +30,8 @@ name = "AdamW"
 lr = 1.4e-3
 
 [training]
-batch_size = 20
-gradient_accumulation_steps = 8
+batch_size = 16
+gradient_accumulation_steps = 16
 seq_len = 2048
 warmup_steps = 500  # lr scheduler warm up, normally 20% of the train steps
 max_norm = 1.0  # grad norm clipping
@@ -44,7 +42,15 @@ compile = true
 # dataset = "c4"  # supported datasets: c4_test (2K), c4 (177M)
 # dataset = "chemlactica_train_mini"  # supported datasets: c4_test (2K), c4 (177M), chemlactica_train_mini (4K)
 dataset = "chemlactica_train"
-data_process_style="chemlactica_style"
+data_processing_style="chemlactica_style"
+
+[validation]
+valid_freq = 2000
+enable_valid = true
+dataset = "chemlactica_valid"  # supported datasets: chemlactica_valid_mini
+
+[dataloader]
+num_workers = 4
 
 [experimental]
 pipeline_parallel_degree = 1
diff --git a/train_configs/chemlactica_debug.toml b/train_configs/chemlactica_debug.toml
index ae40acb0..2939a0e9 100644
--- a/train_configs/chemlactica_debug.toml
+++ b/train_configs/chemlactica_debug.toml
@@ -17,8 +17,6 @@ log_freq = 1
 enable_color_printing = true
 enable_aim = true
 save_aim_folder = "aim"
-#aim_hash = "c6b4d8b340f74287b82ef928"
-#aim_experiment_name = "hello"
 
 [model]
 name = "opt"
@@ -44,7 +42,12 @@ compile = true
 # dataset = "c4"  # supported datasets: c4_test (2K), c4 (177M)
 dataset = "chemlactica_train_mini"  # supported datasets: c4_test (2K), c4 (177M), chemlactica_train_mini (4K)
 # dataset = "chemlactica_train"
-data_process_style="chemlactica_style"
+data_processing_style="chemlactica_style"
+
+[validation]
+valid_freq = 25
+enable_valid = true
+dataset = "chemlactica_valid_mini"  # supported datasets: chemlactica_valid_mini
 
 [dataloader]
 num_workers = 1
diff --git a/train_configs/debug_model.toml b/train_configs/debug_model.toml
index 7aa7caa1..cfdc732a 100644
--- a/train_configs/debug_model.toml
+++ b/train_configs/debug_model.toml
@@ -6,7 +6,7 @@ description = "Llama 3 debug training"
 use_for_integration_test = true
 
 [profiling]
-enable_profiling = true
+enable_profiling = false
 save_traces_folder = "profile_trace"
 profile_freq = 10
 enable_memory_snapshot = false
@@ -26,19 +26,18 @@ flavor = "debugmodel"
 norm_type = "rmsnorm"  # layernorm / np_layernorm / rmsnorm / compiled_rmsnorm / fused_rmsnorm
 # test tokenizer.model, for debug purpose only
 tokenizer_path = "./torchtitan/tokenizers/chemlactica-125m"
-init_weights = true
 
 [optimizer]
 name = "AdamW"
 lr = 8e-4
 
 [training]
-batch_size = 1
+batch_size = 2
 gradient_accumulation_steps = 1
 seq_len = 2048
 warmup_steps = 2  # lr scheduler warm up, normally 20% of the train steps
 max_norm = 1.0  # grad norm clipping
-steps = 30
+steps = 20
 data_parallel_degree = -1
 tensor_parallel_degree = 1
 compile = true
@@ -46,12 +45,18 @@ dataset = "chemlactica_train_mini"  # supported datasets: c4_test (2K), c4 (177M
 data_process_style="chemlactica_style"
 representation_type="SAFE"
 
+[validation]
+batch_size = 2
+eval_freq = 5
+enable_val = true
+dataset = "chemlactica_train_mini"  # supported datasets: c4_test (2K), c4 (177M), chemlactica_train_mini (4K)
+
 [experimental]
 pipeline_parallel_degree = 1
 enable_async_tensor_parallel = false
 
 [checkpoint]
-enable_checkpoint = true
+enable_checkpoint = false
 save_folder = "checkpoint"
 load_folder = "checkpoint"
 create_seed_checkpoint = false