SMILE
stringlengths 1
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stringlengths 3
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O=Cc1nc2c(cc1F)CCCN2C(O)=Nc1ccc(C(F)(F)F)cn1 | [O][=C][C][=N][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][C][C][N][Ring1][=Branch2][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] |
CC(=O)C1=C(NCCc2ccccc2)CC(c2ccccc2)CC1=O | [C][C][=Branch1][C][=O][C][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1][=O] |
CCCCCCCCCCCCn1c(Cc2cccc(Cl)c2)n[nH]c1=S | [C][C][C][C][C][C][C][C][C][C][C][C][N][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][NH1][C][Ring1][=N][=S] |
CS(=O)(=O)Nc1ccc(-c2ccc(C(=O)N3Cc4c(nc5ccccc5c4O)C3c3ccc4c(c3)OCO4)o2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][Branch1][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][Ring1][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Ring2] |
Fc1ccc(-c2cn(C(CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 | [F][C][=C][C][=C][Branch2][Ring2][O][C][=C][N][Branch2][Ring1][S][C][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][=N][N][=N][Ring2][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][P] |
CC12CCC3C(CCC4CC5OC6OC(CO)CC(O)C6(O)OC5CC43C=O)C1(O)CCC2C1=CC(=O)OC1 | [C][C][C][C][C][C][Branch2][Ring2][#Branch1][C][C][C][C][C][O][C][O][C][Branch1][Ring1][C][O][C][C][Branch1][C][O][C][Ring1][=Branch2][Branch1][C][O][O][C][Ring1][=C][C][C][Ring2][Ring1][C][Ring2][Ring1][=Branch1][C][=O][C][Ring2][Ring1][N][Branch1][C][O][C][C][C][Ring2][Ring1][S][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1] |
N#CC(=Cc1cccc(C(=O)O)c1)C(=O)NC1CC1 | [N][#C][C][=Branch1][P][=C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] |
O=C(O)c1nn(-c2ccccc2)nc1-c1nn(-c2ccccc2)nc1C(=O)O | [O][=C][Branch1][C][O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Branch1][C][=O][O] |
CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cccc(Cl)c2n1 | [C][C][C][=C][C][Branch2][Ring1][N][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][=C][C][=C][C][=C][Branch1][C][Cl][C][Ring1][#Branch1][=N][Ring2][Ring1][=C] |
COC12C(COC(N)=O)C3=C(C(=O)C(CSc4ccccn4)=C(N)C3=O)N1CC1NC12 | [C][O][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][N][C][Ring1][S][=O][N][Ring2][Ring1][=Branch2][C][C][N][C][Ring1][Ring1][Ring2][Ring1][=N] |
O=C(NCc1ccc(O)c(O)c1)C1CCCC1 | [O][=C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][C][C][C][C][Ring1][Branch1] |
CCN(CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NC(C)c1ccccc1 | [C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O][C][=Branch1][C][=S][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C1C=C(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)C(=Cc2ccc(Cl)cc2)O1 | [O][=C][C][=C][Branch2][Ring2][=Branch1][C][N][C][C][C][=Branch2][Ring1][=Branch2][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch1][C][=Branch1][=N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring2][Ring2][Ring2] |
COc1ccc(C(=O)Oc2ccc(N(CCBr)CCBr)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Br][C][C][Br][C][=C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] |
CCC1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnnn2C)c2nc(C(F)(F)F)ccc2N1C(=O)OC(C)C | [C][C][C][C][C][Branch2][Ring2][#Branch2][N][Branch2][Ring1][=C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][=N][N][=N][N][Ring1][Branch1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CS(=O)(=O)N=C(O)C1=C(c2ccc(C3CC3)cc2)CC(c2ccc(OCCCCCC(F)(F)F)cc2F)(C(F)(F)F)NC1=O | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][Branch1][C][O][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][#C][O][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][S][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][C][Ring2][Ring2][Ring2][=O] |
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCCc2ccccc2)c1C | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C] |
CNC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)o1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][S][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=Branch1][Branch2][=C][Ring1][N][C][=Ring1][#C][N][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][O][O][Ring2][Ring1][O] |
CNC(C)C(=O)Nc1nsc2ccc(C)cc12 | [C][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring1][#Branch1] |
O=C(O)CCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 | [O][=C][Branch1][C][O][C][C][C][N][Branch2][Ring1][Ring2][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CNc1ccccc1[Se][Se]c1ccccc1NC | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Se][Se][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C] |
COc1ccc(CN2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)c2ccccc12 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][N][C][C][C][=N][N][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][N][Ring1][S][C][C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][S][Ring1][=Branch1] |
CCCSc1nnc(Cc2cc(O)nc(O)n2)n1-c1cc(C)ccc1C | [C][C][C][S][C][=N][N][=C][Branch1][S][C][C][=C][C][Branch1][C][O][=N][C][Branch1][C][O][=N][Ring1][Branch2][N][Ring1][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C] |
CN=C(S)NC1(C)CCS(=O)(=O)C1 | [C][N][=C][Branch1][C][S][N][C][Branch1][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2] |
Cc1cncc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)n1 | [C][C][=C][N][=C][C][Branch2][Ring2][Branch2][N][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][N][=C][C][=N][Ring1][Branch1][C][C][Ring2][Ring1][Ring2][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][N] |
O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(O)c(O)c([N+](=O)[O-])c1 | [O][=C][Branch2][Ring1][#C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O] |
CC(C)NCC(O)COc1cc(C=CCO)ccc1Br | [C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][Branch1][Branch1][C][=C][C][O][=C][C][=C][Ring1][#Branch2][Br] |
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(-c3ccsc3)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=C][Branch2][Ring1][#C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][O][Ring1][#C][C][=C][Ring2][Ring2][#Branch1][Ring2][Ring1][=N] |
COc1ccc(-c2cnnn2Cc2ccco2)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][=C][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P] |
COc1cccc(C23CCCC(C2)NCC3Br)c1OC | [C][O][C][=C][C][=C][C][Branch1][P][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][N][C][C][Ring1][=Branch2][Br][=C][Ring1][S][O][C] |
CCOC(=O)c1c(N=C(S)Nc2ccccc2C)sc2c1CCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][S][N][=C][Branch1][C][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=C][Ring1][S][C][C][C][Ring1][Branch1] |
CC(N=C(O)CC#N)c1ccc(CN2CCc3cc(OCC4CC4(F)F)ccc3C2)cc1 | [C][C][Branch1][=Branch2][N][=C][Branch1][C][O][C][C][#N][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][C][C][=C][C][Branch1][N][O][C][C][C][C][Ring1][Ring1][Branch1][C][F][F][=C][C][=C][Ring1][=N][C][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
C=C1OC(C)=NC12CCC1C3CCC4=CC(=O)CCC4=C3C(c3ccc(C(C)=O)cc3)CC12C | [C][=C][O][C][Branch1][C][C][=N][C][Ring1][=Branch1][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][=C][Ring1][O][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Branch2][Ring2][Ring1][O][C] |
CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)CC2c2ccc(N(C)C)cc2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][N][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring2][Branch1] |
CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C | [C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][Branch1][C][O][C][C][Ring1][P][Ring2][Ring1][Branch1][C] |
CCNC(=O)N1CCN(C(=O)NCC)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][O] |
O=C(O)c1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][N][Ring2][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
Sc1nnc(-c2cccc(Cl)c2)n1N=Cc1ccco1 | [S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Ring1][N][N][=C][C][=C][C][=C][O][Ring1][Branch1] |
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C(=O)Nc4ccc5cccnc5c4)CCC23C)C(C)(C)C1OC(C)=O | [C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][Branch2][Branch1][O][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][=C][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C][Ring1][Branch2][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][Ring2][Ring1][=Branch2][Ring2][Ring1][=C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][#Branch2][O][C][Branch1][C][C][=O] |
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2nc(C(F)(F)F)[nH]c12 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][Ring1][=N][=Ring1][=Branch2] |
CON=C(C(=O)OC)c1ccccc1COc1cc(C(F)(F)F)nc(Nc2ccccc2)n1 | [C][O][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P] |
CC(C=CC1(O)C(C)(C)CCCC1(C)OC1OC(CO)C(O)C(O)C1O)=CC(=O)OC1CC(C)(O)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12 | [C][C][Branch2][Ring2][O][C][=C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch2][Branch1][C][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][=C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][Branch1][C][O][C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][O][C][=C][C][Ring2][Ring1][#Branch1][Ring2][Ring1][C] |
Cc1nc2c([nH]1)C(=O)C(=Nc1ccc(F)c(F)c1F)C(Cl)=C2O | [C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][C][=Branch1][P][=N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1][O] |
O=C(c1ccc(F)cc1)N(Cc1ccco1)C1CCS(=O)(=O)C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1] |
Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21 | [C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][=C] |
N#CC(C#N)C(c1ccsc1)c1c(-c2ccccc2)n[nH]c1O | [N][#C][C][Branch1][Ring1][C][#N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][C][=Ring1][O][O] |
CC(C)(C)N1CC(C(=O)NCc2noc(Cc3ccccc3)n2)CC1=O | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=N][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][N][C][C][Ring2][Ring1][Branch1][=O] |
CC(=O)c1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][C][S][C][Branch1][C][N][=N][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] |
COc1cc(C=NNC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccccc1Cl | [C][O][C][=C][C][Branch1][S][C][=N][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
O=c1[nH]c(CSc2nc3c(-c4ccc(S(F)(F)(F)(F)F)cc4)cnn3c(=O)[nH]2)c(Cl)c(=O)[nH]1 | [O][=C][NH1][C][Branch2][Ring2][#C][C][S][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N][C][=N][N][Ring1][P][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1][=C][Branch1][C][Cl][C][=Branch1][C][=O][NH1][Ring2][Ring1][S] |
C=CCC12CC(OC)C(O)C(OC)(C(c3ccc4c(c3)OCO4)C1C)C2O | [C][=C][C][C][C][C][Branch1][Ring1][O][C][C][Branch1][C][O][C][Branch1][Ring1][O][C][Branch2][Ring1][Branch2][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#Branch1][O] |
COCCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3 | [C][O][C][C][N][C][=N][C][S][C][=C][Branch2][Ring1][Ring1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][Ring1][P] |
Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3ncccc3=O)c2F)cn1 | [N][C][=C][N][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][Branch1][P][O][C][C][Branch1][C][O][C][N][N][=C][C][=C][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][=Branch1][F][C][=N][Ring2][Ring1][=N] |
Cc1cc2c(F)c(Oc3ncnc(N)c3C=NOCC3CCCCC3)ccc2[nH]1 | [C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][O][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][=N][O][C][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch2][NH1][Ring2][Ring1][N] |
CC1(C)ON=C(c2cccc(F)c2)NC1=O | [C][C][Branch1][C][C][O][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][Ring1][=C][=O] |
Oc1cc(-c2ccccc2)nc2cc3c(cc12)OCO3 | [O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][S][Ring1][=Branch1][O][C][O][Ring1][#Branch1] |
CCC1CCNC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)C1 | [C][C][C][C][C][N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][Cl][C][O][C][Branch1][Ring1][S][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Ring2][Ring1][Branch2] |
CC(NC(=O)C1CCCN(S(=O)(=O)c2c[nH]cn2)C1)c1ccccc1 | [C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][=N][Ring1][Branch1][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(c1ccc(C(F)(F)F)cc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccc(C(F)(F)F)cc2O)cc(Cl)c1Cl | [O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][NH1][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=Ring1][#Branch1][N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1][Cl] |
N#CCC1(n2ccc(-c3ncnc4[nH]ccc34)c2)CN(C2CCN(C(=O)c3cccc(C#N)c3)CC2)C1 | [N][#C][C][C][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][Ring1][=C][C][N][Branch2][Ring1][O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][Ring1][S][C][Ring2][Ring2][C] |
CN(C)c1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][Branch2][Ring1][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O][=C][Ring2][Ring1][=N] |
Cc1ccc(SCCC(=O)NN=Cc2ccncc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][C][C][=Branch1][C][=O][N][N][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] |
COc1ccc(CSc2nnc(N)s2)cc1F | [C][O][C][=C][C][=C][Branch1][=N][C][S][C][=N][N][=C][Branch1][C][N][S][Ring1][=Branch1][C][=C][Ring1][=C][F] |
O=C(NO)c1cccc(-c2cn(C3CC(CO)N(Cc4ccccc4)C3)nn2)c1 | [O][=C][Branch1][Ring1][N][O][C][=C][C][=C][C][Branch2][Ring2][C][C][=C][N][Branch2][Ring1][#Branch1][C][C][C][Branch1][Ring1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][N][=N][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] |
O=S1(=O)Nc2c(ccc3c(-n4cccn4)ccnc23)-c2ccccc21 | [O][=S][=Branch1][C][=O][N][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][N][=C][Ring1][#C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
COc1ccc(-c2noc(C34CCC(c5nnc(-c6ccccc6C(F)(F)F)n5C)(CC3)CC4)n2)cn1 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][C][=N][O][C][Branch2][Ring2][=C][C][C][C][C][Branch2][Ring1][O][C][=N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][#C][C][Branch1][=Branch1][C][C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=N][C][=N][Ring2][Ring2][Ring1] |
COc1ccc2c(c1)CCCN2C(=O)CN1CCOC(C)C1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][C][O][C][Branch1][C][C][C][Ring1][#Branch1] |
N#CC(=Cc1ccccc1)C(NO)Nc1ccccc1 | [N][#C][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][N][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCCCC12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=C][Branch2][Ring1][Ring2][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][Cl][=C][Ring1][N][Cl][C][Ring2][Ring1][Branch1] |
Cc1ncc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)s1 | [C][C][=N][C][=C][Branch2][Ring1][=C][C][C][=N][N][C][Branch1][C][N][=C][Branch1][C][Br][C][Branch1][=Branch2][C][C][C][C][N][C][Ring1][=Branch1][=N][C][=Ring1][P][Ring1][=C][S][Ring2][Ring1][=Branch1] |
O=C(c1cnccn1)N1CCC2CC(c3ccncn3)OC2C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][O][C][Ring1][O][C][Ring1][#C] |
CSCCC(NC(=O)c1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 | [C][S][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O] |
CCC(=O)C(CCCCCc1ccc(O)cc1)C(=O)CC | [C][C][C][=Branch1][C][=O][C][Branch1][P][C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C] |
COc1ccc(CC(=O)N2CCCC(c3nncn3C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] |
CC(=Nc1n[nH]c(N=C(C)c2ccccn2)n1)c1ccccn1 | [C][C][=Branch2][Ring1][Branch2][=N][C][=N][NH1][C][Branch1][=C][N][=C][Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][=C][C][=C][C][=C][C][=N][Ring1][=Branch1] |
Cc1ccc(C(Nc2nsnc2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)o1 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][Branch2][Ring1][=C][N][C][=N][S][N][=C][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][O][O][C][Branch1][C][C][C][O][Ring2][Ring1][N] |
COC(=O)CCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] |
CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)C(C)CNCc1cc(N)cc(N)c1 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][C][O][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][N][C][C][=C][C][Branch1][C][N][=C][C][Branch1][C][N][=C][Ring1][Branch2] |
COc1cccc(N(C)c2nc(Cl)nc3ccccc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][C][Cl][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] |
COc1ccc(-n2ccnc(SCC(=O)NC3CCCCC3)c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=C][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2] |
O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 | [O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] |
O=C(CCN1CCN(Cc2c(F)cccc2Cl)CC1)Nc1ccc(F)cc1F | [O][=C][Branch2][Ring1][#Branch2][C][C][N][C][C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
COC(=O)c1ccc(NCC2=C(Br)C(=O)C=CC2=O)cc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][=C][C][Ring1][Branch2][=O][C][=C][Ring1][P][Cl] |
O=[N+]([O-])c1ccc(C=NNc2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)o1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][O][Ring2][Ring1][N] |
CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2cccnc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][P] |
COc1cc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)ccc1F | [C][O][C][=C][C][Branch2][Ring2][Ring1][C][=N][C][=C][N][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][#C][=C][C][=C][Ring2][Ring1][O][F] |
O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2nc(N3CCCC3)sc21 | [O][=C][C][C][Branch2][Ring1][N][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][C][=Ring1][#Branch2][Ring2][Ring1][#C] |
CC(C)(C)C(CN)CC(=O)O | [C][C][Branch1][C][C][Branch1][C][C][C][Branch1][Ring1][C][N][C][C][=Branch1][C][=O][O] |
CCCN1CCNC1=N[N+](=O)[O-] | [C][C][C][N][C][C][N][C][Ring1][Branch1][=N][N+1][=Branch1][C][=O][O-1] |
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccncc1 | [O][=C][C][=Branch1][P][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][C][=Branch1][C][=S][N][Ring1][S][C][C][=C][C][=N][C][=C][Ring1][=Branch1] |
COC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)OCc1ccccc1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(Nc1ccccc1)N1CCOc2cc(-c3ccc(C4CCC(Cc5nnn[nH]5)CC4)cc3)ccc21 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][=C][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][C][Branch1][=Branch2][C][C][=N][N][=N][NH1][Ring1][Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][N] |
CCCCCCC(C)CCCCCCCCCOCC(O)COC1C(O)C(O)C(O)C1O | [C][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch1][C][O][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O] |
Cc1cccc2sc(NC(=O)CNS(=O)(=O)c3cccs3)nc12 | [C][C][=C][C][=C][C][S][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] |
Clc1ccc(Cl)c(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)c1 | [Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][S][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][N] |
C=C1C(=O)OC2CC(C)=C(C(C)CCCOC(C)=O)C(OC(=O)CCl)C12 | [C][=C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][=C][Branch1][=C][C][Branch1][C][C][C][C][C][O][C][Branch1][C][C][=O][C][Branch1][Branch2][O][C][=Branch1][C][=O][C][Cl][C][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1] |
CCOC(=O)c1cc2c(oc1=O)-c1cn(C)cc1CC2 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
COCOc1cc(C=Cc2cc(CO)c3c(c2)CC2C(C)(CCC(O)C2(C)C)O3)cc(OC)c1CC=C(C)CCC=C(C)C | [C][O][C][O][C][=C][C][Branch2][Ring2][=Branch2][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][C][C][C][Branch1][C][C][Branch1][=C][C][C][C][Branch1][C][O][C][Ring1][Branch2][Branch1][C][C][C][O][Ring1][#C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C][C][C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C] |
C=CCNC(=O)C(C)N1c2cccc3cccc(c23)S1(=O)=O | [C][=C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O] |
CC1CC(Oc2n[nH]c3cc(N=C(O)NC(c4ccccc4)C(C)(C)O)ncc23)CC(C)O1 | [C][C][C][C][Branch2][Ring2][=N][O][C][=N][NH1][C][=C][C][Branch2][Ring1][#Branch2][N][=C][Branch1][C][O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][O][=N][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][S] |
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