rdkit/Code/GraphMol/test_data/substructLibV1.pkl

22 serialization::archive 16 0 1 0 1 4 1 1
0 0 0 0 0 100 0 17 CC1=CC(=O)C=CC1=O 30 CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O 21 Cc1cc(O)nc2nc(N)ccc12 18 Cc1cc(C)c(N)c(C)c1 25 Cc1ccccc1C(c1ccccc1)N(C)C 35 Cc1nc2ccccc2c(Oc2ccccc2)c1-c1ccccc1 35 O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1 23 N#CC(Cc1ccccc1)c1ccccc1 13 Nc1ccc(Cl)nc1 11 Cc1ccccc1CO 13 CCN(CC)C(C)=O 14 CC(=O)c1ccncc1 22 CCN1c2ccccc2Sc2ccccc21 26 C1CN([Se][Se]N2CCOCC2)CCO1 9 O=C(O)CBr 34 CCCCC(=Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O 38 O=C(O)C(=Cc1cc(Cl)c(O)c(Cl)c1)c1ccccc1 14 O=C(O)c1ccccn1 43 O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 12 Cc1ccc(S)cc1 50 O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2cccc(S(=O)(=O)O)c21 36 O=C(O)Cc1ccc(SSc2ccc(CC(=O)O)cc2)cc1 12 CCSC(=N)CCCl 27 Nc1ccc(C(=O)C=Cc2ccccn2)cc1 11 CCCCOCOCCCC 12 Nc1ncnc(N)n1 22 CC(=O)CC(C)(C)NNC(N)=S 11 CS(N)(=O)=O 33 Clc1cc(Cl)c2[nH]c(-c3ccccc3)cc2c1 30 O=C1OC(c2ccccc2)=NC1=Cc1ccccc1 21 O=C(O)Cc1ccc2ccccc2c1 17 O=C(CCl)Nc1ccccc1 32 CCOC(=O)C(=O)N(CCC(=O)O)c1ccccc1 29 CCOC(=O)C1CN(CC(C)C)C(=O)C1=O 18 COCc1c(C)cc(C)cc1C 25 Cc1cc(C)c(CCN(C)C)c(C)c1C 32 CCCCN(CCCC)C(=O)CC(C)(O)c1ccccc1 27 Nc1ccc(C(=O)C=Cc2ccccc2)cc1 54 CCCCCN(CCCCC)CCCNc1c2c(nc3ccc(OC)cc13)CCCC2.O=P(O)(O)O 17 CSc1nc(C)nc(SC)n1 18 O=C(O)Cc1ccc(F)cc1 30 CC(CCN=Cc1ccccc1O)N=Cc1ccccc1O 27 CCOC(=O)C(C(=O)CC(C)C)C(C)C 38 Cl[Sb](Cl)(c1ccccc1)(c1ccccc1)c1ccccc1 9 CCC(C)=NO 14 O=C(O)C1CCCCC1 9 CC1CCCCN1 26 CCCCC(CC)(Cc1ccccc1)C(=O)O 20 Cc1ccc(NC(=O)CBr)cc1 23 N#CC(C#N)=Cc1ccc(Cl)cc1 21 C(=NNc1ccccc1)c1ccco1 19 Cc1ccc(CCC(=O)O)cc1 27 C[N+](C)(C)C1C=CS(=O)(=O)C1 23 N#CC(C#N)=Cc1ccc(Br)cc1 29 O=[N+]([O-])c1cccc(OCC2CO2)c1 15 Oc1ccc2ccccc2n1 16 CCN(CC)CCCC(C)Br 25 O=C1c2ccccc2C(=O)N1CCCCBr 22 O=NN(c1ccccc1)c1ccccc1 19 CCCCCCCC(=O)CCCCCCC 35 O=C(Cl)c1cccc2c([N+](=O)[O-])cccc12 18 CC(=O)c1c(O)cccc1O 27 COc1ccc(C(=O)CCC(=O)O)cc1OC 17 c1ccc(OCC2CO2)cc1 23 COc1cc(C(=O)NN)cc(OC)n1 13 CC1C=CC(=O)O1 20 C[N+](C)(C)CC1COCCO1 23 N=c1[nH]nc(-c2ccccc2)s1 29 Cc1ccc(NC(=S)Nc2ccc(C)cc2)cc1 25 NNC(=S)NN=Cc1ccc2ccccc2n1 20 CC(=NNC(N)=S)c1cccs1 31 CCS(=O)(=O)c1ccc(C=NNC(N)=S)cc1 24 CCCOc1ccc(C=NNC(N)=S)cc1 39 CC(C)(C)CC(C)(C)c1ccc(OCCOCCSC(=N)N)cc1 4 NC=O 21 NC(C=O)C(O)C(O)C(O)CO 25 CC(=O)Nc1ccc(C(=O)CCl)cc1 15 CCCOB(OCCC)OCCC 48 CC1CC(C)(C)OB(OC(C)CC(C)(C)OB2OC(C)CC(C)(C)O2)O1 24 O=C(C=Cc1ccccc1)c1ccccn1 36 Clc1ccccc1OB(Oc1ccccc1Cl)Oc1ccccc1Cl 21 O=C(c1ccccc1)C1CCCCC1 29 CCCC(CCC1CCCC1)(C(=O)O)C(=O)O 13 c1ccn2nnnc2c1 21 CC(C)(C)C(=O)C(C)(C)C 24 CCc1ccc([N+](=O)[O-])cc1 30 Oc1ccc(C=NCCN=Cc2ccc(O)cc2)cc1 35 CC(CC(c1ccccc1)c1ccccc1)[N+](C)(C)C 21 CCCC(O)(CCC)CC(C)(C)C 13 CCCCCC(C)(C)O 18 CCCC(C)(O)C(C)(C)C 16 CCCCC(O)(CC)CCCC 28 CCC(=O)C(CC(C)(C)C)CC(C)(C)C 17 CCC(CC)(CC)C(=O)O 17 CCCCCC(O)(CCC)CCC 23 CC(C)(C)CC(=O)CC(C)(C)C 14 CCCc1cccc(C)n1 16 C#CC(C)(O)CC(C)C 21 CCN(CC)c1ccc(SC#N)cc1 52 CC(C)CC(CC(C)C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 0 1 5 1 1
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