SMILE
stringlengths 1
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stringlengths 3
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O=C(O)CN1C(=O)CC2(C1=O)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(F)cc12 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch2] |
C=CCOC(=O)C1=C(C)N=C2NC3=C(CC(C)(C)CC3)C(N)=C2C1c1cccc([N+](=O)[O-])c1 | [C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][N][C][=C][Branch1][=N][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][Branch1][C][N][=C][Ring1][=N][C][Ring2][Ring1][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2] |
CSc1ccc(Oc2ccc(Br)cc2CN(C)C)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][C][C][=C][Ring2][Ring1][C] |
COc1ccc(N(C)C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][NH1][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] |
Cc1ccccc1C=CC(=O)NC1=NCCS1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][N][C][=N][C][C][S][Ring1][Branch1] |
c1ccc(-c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
C=C1CCC(C)(C=O)CCC2C(=CC=CC(C)(C)O)COC(=O)C12 | [C][=C][C][C][C][Branch1][C][C][Branch1][Ring1][C][=O][C][C][C][C][=Branch1][N][=C][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][O][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch1][Ring1][=C] |
COC(=O)c1cccc(NC(=O)c2c(SSc3c(C(=O)Nc4cccc(C(=O)OC)c4)c4ccccc4n3C)n(C)c3ccccc23)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][#Branch2][S][S][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch1][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring2][Ring2][Ring1][Ring1][=Branch1][=C][Ring2][Ring2][N] |
CC(C)CC(C(=O)Nc1nccs1)n1c(=O)[nH]c2ccccc2c1=O | [C][C][Branch1][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] |
CNc1ccc(Sc2ccc(Cl)cc2)cc1 | [C][N][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] |
CC(C)Cc1nn2c(=O)cc(COC(=O)c3cccc(NC(=O)c4ccccc4)c3)nc2s1 | [C][C][Branch1][C][C][C][C][=N][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][N][=C][Ring2][Ring1][#Branch2][S][Ring2][Ring1][=N] |
Cc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCc1cccc(F)n1 | [C][C][=C][C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=C][C][Branch1][C][C][=C][Ring1][S][O][C][C][C][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1] |
Cc1cc(C)cc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][=C][Ring2][Ring1][P] |
Cc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch2] |
Cc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2ncnc(N3CCOCC3)c12 | [C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][S][C][=N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=N][Ring1][N] |
Nc1ncnc2c1ncn2C1OC(CSCCCNC(=O)Nc2ccc(Cl)cc2)C(O)C1O | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch2][Ring1][#Branch1][C][S][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][Ring2][Ring1][=Branch1][O] |
COC1CCN(C(=O)CN2C(=O)N(c3cccc(C(F)(F)F)c3)C3=C(C(=O)CC3)C2c2ccc(C#N)cc2S(C)(=O)=O)CC1 | [C][O][C][C][C][N][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][C][C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring2][Ring2][#Branch2] |
COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] |
CCn1c(C)nc2cc(-c3nnc(-c4c(-c5ccccc5)noc4C)o3)ccc21 | [C][C][N][C][Branch1][C][C][=N][C][=C][C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][O][Ring1][P][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][O] |
Cc1csc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)n1 | [C][C][=C][S][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=N][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1] |
Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NC1CCN(C)CC1 | [C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)n1 | [N][#C][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][Ring2][Ring1][Ring1][=N][Ring2][Ring1][=Branch2] |
CC1(C)Cc2ccccc2C(COc2ccccc2)=N1 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] |
Cc1c(Br)c(-c2nnc(S)n2Cc2ccco2)nn1C | [C][C][=C][Branch1][C][Br][C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][C][S][N][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][C][C] |
Cc1[nH]c(C=C2C(=O)Nc3ncc(Br)cc32)c(C)c1C(=O)NCCN1CCCC1 | [C][C][NH1][C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][O][=C][Branch1][C][C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][C][C][C][C][Ring1][Branch1] |
CC(NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)c1ccccc1 | [C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1c(C2CCCN2Cc2cccc(C(N)=O)c2)c(C)nn1C | [C][O][C][=C][Branch2][Ring1][Branch2][C][C][C][C][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][Branch1][C][C][=N][N][Ring2][Ring1][Branch1][C] |
CCCNC(=O)NCC(NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(=O)O | [C][C][C][N][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
O=C(NC1CCCC1)C(c1ccccn1)N(C(=O)c1csnn1)c1ccc(F)cc1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
Cn1cc(-c2coc3c(C(=O)Nc4ccccc4)cccc23)cn1 | [C][N][C][=C][Branch2][Ring1][=C][C][=C][O][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch1] |
CC12CCCOC1C1(CSC(N)=N1)c1cc(-c3cncc(Cl)c3)ccc1O2 | [C][C][C][C][C][O][C][Ring1][=Branch1][C][Branch1][#Branch2][C][S][C][Branch1][C][N][=N][Ring1][=Branch1][C][=C][C][Branch1][N][C][=C][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][O][Ring2][Ring1][#Branch2] |
O=C1OC(COc2ccccc2)CN1c1ccc(C2=CCOCC2)c(F)c1 | [O][=C][O][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N] |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(CC)nc3c2)c1F | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][NH1][C][Branch1][Ring1][C][C][=N][C][Ring1][#Branch1][=C][Ring1][O][=C][Ring2][Ring1][Branch1][F] |
CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccncc3)c1)CC2 | [C][S][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring2][Ring1][#Branch2] |
COc1cc(C=C2CCCc3c2nc(N)c(C#N)c3-c2ccc(O)c(OC)c2)ccc1O | [C][O][C][=C][C][Branch2][Ring2][=Branch1][C][=C][C][C][C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][N][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][=N][O] |
CC(=O)c1ccc(OC(=O)CCNC(=O)c2ccccc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] |
c1ccc2c(c1)ccc1[nH]c3c(c12)CCCC3 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][Ring1][#Branch2][C][C][C][C][Ring1][#Branch1] |
COc1ccccc1CC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N] |
CC(C)CC(N)C(=O)Nc1ccc(C(=O)NC(CCc2ccccc2)C(=O)O)cc1OCc1ccccc1 | [C][C][Branch1][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(=O)OC1CC=C(C=O)C2C=C3CC(=O)C(C)=C3C(OC(=O)c3ccccc3)C(OC(C)=O)C12C | [C][C][=Branch1][C][=O][O][C][C][C][=C][Branch1][Ring1][C][=O][C][C][=C][C][C][=Branch1][C][=O][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring1][#C][Ring2][Ring1][=Branch2][C] |
COc1nn(C)cc1-c1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)n1C | [C][O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch2][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][Ring2][Ring1][=Branch1][C] |
Cc1c(C=C2SC(=Nc3ccccc3F)N(C3CCCCC3)C2=O)c2ccccc2n1CC(N)=O | [C][C][=C][Branch2][Ring1][P][C][=C][S][C][=Branch1][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=C][C][C][Branch1][C][N][=O] |
Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)OC(C)c1ccccc1Cl | [C][C][=N][O][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][Ring1][S][=C][Ring2][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
COc1cccc(C(=O)NCCN2C(=O)SC(=Cc3cccs3)C2=O)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][S][C][=Branch1][=Branch2][=C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][N][=O][=C][Ring2][Ring1][Branch2][O][C] |
Cc1cc(O)c2cc(C(=O)c3ccccc3)ccc2n1 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][=C][=N][Ring2][Ring1][Ring1] |
CC1=CCC=C(C)CCC=C(C)CCC(C(C)C)C=C1 | [C][C][=C][C][C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1] |
COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)C)c4c(C)c3c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][C][C][C][=C][C][=N][C][Branch1][#Branch2][N][C][C][C][N][Branch1][C][C][C][=C][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CCOC(=O)CC12NC(Cc3ccccc31)c1ccccc12 | [C][C][O][C][=Branch1][C][=O][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CC(=O)C1=C(O)C(=C(C)Nc2ccc(C)cc2)C(=O)OC1=O | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=Branch1][P][=C][Branch1][C][C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][C][=O] |
Nc1ccc2cccc(OC3CCN(Cc4ccc5c(c4)OCO5)C3)c2n1 | [N][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][O][O][C][C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][#Branch2] |
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)C3c2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][C][C][=Branch1][C][=O][C][=C][Branch1][Ring2][C][Ring1][#Branch1][N][C][Branch1][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#C] |
CC(NC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)C12CC3CC(CC(C3)C1)C2 | [C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
Cc1nc(-c2cc(-c3ccc(Cl)cc3)no2)cs1 | [C][C][=N][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][=C][S][Ring1][P] |
Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(=O)O)ccc2N2CCOCC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][P] |
Cc1ccc(NC(S)=NCCCNCc2cc(Br)cc(Br)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][S][=N][C][C][C][N][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1] |
COc1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=S][N][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][O][C] |
COc1cccc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3cccc[n+]3[O-])c2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][Cl][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=N+1][Ring1][=Branch1][O-1][C][Ring2][Ring1][Ring1][=O][=C][Ring2][Ring1][#C] |
CCC(C)(c1ccc(O)cc1)C(CCCC(=O)NC)c1ccc(O)cc1 | [C][C][C][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CC(C)(C)c1cc2cccnc2n1S(=O)(=O)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1ccc(CCNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][N][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch2][O][C] |
N=C(O)C(CC1CC(F)(F)C1)C(CCC(F)(F)F)C(O)=NC1N=C(c2ccccc2)c2cccc(F)c2NC1=O | [N][=C][Branch1][C][O][C][Branch1][=C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][O][=N][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][Ring2][Ring1][C][=O] |
O=C(NNC(=O)c1ccccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 | [O][=C][Branch1][S][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][S] |
O=C(c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1)N1CCCCO1 | [O][=C][Branch2][Ring2][P][C][C][=C][Branch2][Ring2][=Branch1][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Ring2][Ring1][C][Ring1][#Branch2][O][N][=Ring2][Ring1][=Branch2][N][C][C][C][C][O][Ring1][=Branch1] |
CN(C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1 | [C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
C=CC(=O)Nc1ccc2ncnc(Cc3ccc(F)c(Cl)c3)c2c1 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][N][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring1] |
CCOc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(OCC)c(OCC)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][Ring2][O][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][=N] |
COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2sccc2COCCCl)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][O][C][C][Cl][=N][Ring2][Ring1][=Branch2] |
COC(O)=Nc1ccc2c(c1)N=C(O)C(C)CCCC(N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1nc-2c(Cl)[nH]1 | [C][O][C][Branch1][C][O][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][O][C][Branch1][C][C][C][C][C][C][Branch2][Ring1][O][N][C][C][C][Branch1][S][C][=C][Branch1][C][F][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][F][=C][C][Ring1][#C][=O][C][=N][C][Ring2][Ring1][#C][=C][Branch1][C][Cl][NH1][Ring1][=Branch1] |
COCC(NC(=O)c1ccc(OC)c(C)c1)c1ccccc1 | [C][O][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1nc2ccccc2n1C | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] |
NC(=O)c1ccccc1NC(=O)NC1CCCCC1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] |
CCCC1(Cc2cccc3ccccc23)CC(=O)C(Sc2ccccc2CC)=C(O)O1 | [C][C][C][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][C][Branch1][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch1][C][O][O][Ring2][Ring1][N] |
c1ccc(N2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1 | [C][=C][C][=C][Branch2][Ring2][Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CC12CCC(O)CC1=CCC1C2CCC2(C)C(=C(C#N)C(N)=O)C(=Cc3ccc(Cl)c(Cl)c3)CC12 | [C][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=C][C][C][C][Ring1][O][C][C][C][Branch1][C][C][C][=Branch1][O][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=O][C][=Branch1][S][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1] |
Cc1ccc(S(=O)(=O)c2cc3cnc(Nc4cnc5c(c4)CC(=O)N5)nc3n(C)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring2][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][N][=C][Ring1][P][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][S] |
CCOC(=O)c1c(NC(=O)C[n+]2ccc(Cc3ccccc3)cc2)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N+1][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][S][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][C] |
CCCC(O)C(CNc1cc(NC(C)=O)nc(NC(C)=O)n1)N(Cc1ccccc1)Cc1ccccc1 | [C][C][C][C][Branch1][C][O][C][Branch2][Ring1][O][C][N][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][Ring1][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(c2cccc(C)n2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1] |
CN(CCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1ccccc1-2)CCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1ccccc1-2 | [C][N][Branch2][Ring2][Branch2][C][C][N][C][=Branch1][C][=O][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
COc1ccc([N+](=O)[O-])c2ncnc(O)c12 | [C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][C][=N][C][Branch1][C][O][=C][Ring1][=C][Ring1][#Branch1] |
COc1ccc(C(=O)CC(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch2] |
COc1ccccc1-c1ccc2ncnc(NCc3cnc(C)cn3)c2c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][N][=C][Branch1][=C][N][C][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][Ring1][#C][=C][Ring2][Ring1][Ring1] |
Cc1cc(C(=O)Nc2ccc(F)c(C34COCC3S(=O)(=O)C(C)(C)C(=N)N4)c2)on1 | [C][C][C][=C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=N][C][C][O][C][C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=N][N][Ring1][=C][=C][Ring2][Ring1][Branch1][O][N][=Ring2][Ring1][=N] |
CC(N=C(O)Nc1cc2[nH]nc(C#N)c2cn1)c1ccccc1 | [C][C][Branch2][Ring1][Branch2][N][=C][Branch1][C][O][N][C][=C][C][NH1][N][=C][Branch1][Ring1][C][#N][C][=Ring1][#Branch1][C][=N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C(F)(F)F)c(=O)cc4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 | [C][O][C][=C][C][=C][Branch2][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=N][N][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][Ring1][P][C][C][=C][Ring2][Ring1][O][F][C][=C][N][=C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch1][O][C][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] |
O=CC(Cl)P(=O)(N1CCCCC1)N1CCCCC1 | [O][=C][C][Branch1][C][Cl][P][=Branch1][C][=O][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] |
Cc1cc(C(=O)Oc2cccc(C(F)(F)F)c2)n(C(C)(C)C)n1 | [C][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=Ring2][Ring1][=Branch1] |
CCCC(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(C)=O)C(C)CC)C(C)C)C(=O)O | [C][C][C][C][Branch2][=Branch1][O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
Clc1ccc(C2=NCCCN=C2c2ccc(Br)cc2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][C][C][N][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] |
Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][Ring2][Ring1][=Branch2] |
O=C(O)COc1ccccc1C=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
O=C(NCc1ccccc1)C(c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][C][C][Ring1][Ring1] |
O=C(COc1ccc(C=C2SC(=O)NC2=O)cc1)NC1CCCCC1 | [O][=C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][Branch1][=N][C][=C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][N][C][C][C][C][C][C][Ring1][=Branch1] |
CC1CCCC2CC(NC(=O)c3cccc(O)c3O)CCN12 | [C][C][C][C][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][C][N][Ring2][Ring1][Branch1][Ring1][P] |
CN(C)CCOc1ccc(-c2cncc(-c3cc4ccccc4[nH]3)c2)cc1 | [C][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][N][=C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
Nc1nccc2c1ncn2C1CCCC1 | [N][C][=N][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] |
Cc1cccc2c1-c1cccc3c1C(C2)N(C)CC3 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][#Branch2][N][Branch1][C][C][C][C][Ring1][Branch2] |
O=C(NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5)c1ccc(Cl)c(Cl)c1 | [O][=C][Branch2][Ring2][=N][N][C][C][C][C][Branch1][C][O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][N][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch1][O][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
Cc1ccc(S(=O)(=O)NC(=O)Nc2cc(C)on2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
CN1CCN(c2ccc(C(=O)C=Cc3cccc(C=CC(=O)NO)c3)cc2)CC1 | [C][N][C][C][N][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=Branch1][C][=O][N][O][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][N] |
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