SMILES
stringlengths 3
3.54k
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stringlengths 4
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|---|---|
O=C(NC1CCCC1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] |
O=C(c1ccc(CBr)cc1)C1CC1 | [O][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][Br][C][=C][Ring1][Branch2][C][C][C][Ring1][Ring1] |
CC(C)(C)C(=O)C(C#N)=CNc1ccc(Oc2ccccc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] |
COC(=O)c1ccccc1NC(=O)Cn1nc(c2ccccc2)c(c2ccccc2)c(C(=O)OC)c1=O | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][=Branch1][=O] |
CCCC(=O)c1ccc(SCc2ccc(C(=O)[O-])cc2)cc1 | [C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][S][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring1][P] |
Cc1c(O)cccc1C1[NH2+]CCc2ccc(N)cc21 | [C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][NH2+1][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Ring1][O] |
Cn1cc(c2ccc(=O)n(c3ccccc3)c2)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=N][C][=N][Ring2][Ring1][C] |
CC1C[NH+](CCN2CCN(C(=O)OC(C)(C)C)C(Cc3ccc(C(F)(F)F)cc3)C2)CC(C)O1 | [C][C][C][NH1+1][Branch2][Ring2][P][C][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch2][C][C][Branch1][C][C][O][Ring2][Ring1][P] |
O=C([O-])Cc1nnc2c(c3nc(C4CC4)no3)cccn12 | [O][=C][Branch1][C][O-1][C][C][=N][N][=C][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][=C][C][=C][N][Ring1][P][Ring1][=C] |
O=C(Nc1ccc(F)cc1Br)C1CCC[NH2+]C1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br][C][C][C][C][NH2+1][C][Ring1][=Branch1] |
C1=NCc2c3c(cn21)OCO3 | [C][=N][C][C][=C][C][=Branch1][#Branch1][=C][N][Ring1][Branch1][Ring1][Branch2][O][C][O][Ring1][#Branch1] |
Cc1nccn1CCC(C)[NH2+]CCc1noc(CO)n1 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][Branch1][C][C][NH2+1][C][C][C][=N][O][C][Branch1][Ring1][C][O][=N][Ring1][#Branch1] |
CC(=O)N1CCN(c2nnc(C3CC3)n2CC2CCOC2)CC12CCCCC2 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][C][C][O][C][Ring1][Branch1][C][C][Ring2][Ring1][Ring2][C][C][C][C][C][Ring1][=Branch1] |
COc1cc(Nc2nc(NC3CCOCC3)c(C(C)C)nc2C(N)=O)ccc1N1CC[NH2+]CC1 | [C][O][C][=C][C][Branch2][Ring1][P][N][C][=N][C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][S][C][Branch1][C][N][=O][=C][C][=C][Ring2][Ring1][#Branch2][N][C][C][NH2+1][C][C][Ring1][=Branch1] |
CC(C)=CCCC(C)C1CCC(C)=CCC=C(CO)C1CO | [C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][=C][C][C][=C][Branch1][Ring1][C][O][C][Ring1][N][C][O] |
COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(Cl)nc2)c1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=Ring2][Ring1][C] |
CCC(=O)Nc1ccc(OCc2ccccc2N2CCCCC2)cc1C(=O)[O-] | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O-1] |
Cc1cccc(OCCCCn2c3ccccc3nc2c2ccc(Cl)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][O][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CC([NH3+])(c1cccnc1)c1ccc(Br)cc1Cl | [C][C][Branch1][C][NH3+1][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl] |
Nc1cccc2c1nc(C(=O)[O-])cc2c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1c1nn[n-]n1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][=C][C][N][=N][N-1][N][=Ring1][Branch1] |
Oc1ccc(c2nc3c(F)cccc3n2C2CC2)cc1Cl | [O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring1][Cl] |
Cn1nncc1C([NH3+])c1coc(Br)c1 | [C][N][N][=N][C][=C][Ring1][Branch1][C][Branch1][C][NH3+1][C][=C][O][C][Branch1][C][Br][=C][Ring1][=Branch1] |
Cc1cc(C)cc(C[NH+]2CCN(C(C)(C)C#N)CC2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch1][C][NH1+1][C][C][N][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][#N][C][C][Ring1][O][=C][Ring2][Ring1][Ring1] |
C[NH+]=C(NCc1coc(c2ccccc2)n1)N1CCN(c2ccccc2F)CC1 | [C][NH1+1][=C][Branch2][Ring1][Ring2][N][C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] |
COc1cccc(C=CC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1OC(F)F | [C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][S][=C][Ring2][Ring1][N][O][C][Branch1][C][F][F] |
C[NH+]=C(NCCCSc1ccc(F)cc1)NCCNC(=O)c1ccco1 | [C][NH1+1][=C][Branch1][P][N][C][C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] |
O=S(=O)(N1CCOCC1)N1SSSSSSS1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][S][S][S][S][S][S][S][Ring1][Branch2] |
CCC1(COCCCCCCOCC2(CC)COC3(CC(C)(CC)N([O-])C(C)(CC)C3C)OC2)COC2(CC(C)(CC)N([O-])C(C)(CC)C2C)OC1 | [C][C][C][Branch2][Branch1][Ring2][C][O][C][C][C][C][C][C][O][C][C][Branch1][Ring1][C][C][C][O][C][Branch2][Ring1][#Branch2][C][C][Branch1][C][C][Branch1][Ring1][C][C][N][Branch1][C][O-1][C][Branch1][C][C][Branch1][Ring1][C][C][C][Ring1][=N][C][O][C][Ring2][Ring1][Branch1][C][O][C][Branch2][Ring1][#Branch2][C][C][Branch1][C][C][Branch1][Ring1][C][C][N][Branch1][C][O-1][C][Branch1][C][C][Branch1][Ring1][C][C][C][Ring1][=N][C][O][C][Ring2][Branch1][C] |
Clc1ccc(OOc2ccc(Cl)cc2Cl)c(Cl)c1 | [Cl][C][=C][C][=C][Branch1][#C][O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][Cl][=C][Ring1][P] |
C[NH+]1CCC(C)(C(=O)NCc2ncc(Cl)cn2)CC1 | [C][NH1+1][C][C][C][Branch1][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][Ring2][Ring1][C] |
CCNc1nc(CSc2cccc(Cl)c2)nc(C)c1Br | [C][C][N][C][=N][C][Branch1][=C][C][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][Branch1][C][C][=C][Ring1][S][Br] |
CC(C)CNC(=O)C(C)N(CCc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)NS(=O)(=O)CCn1c(Cc2cc3c(cc2I)CCC3)nc2c(N)nc(F)nc21 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][I][C][C][C][Ring1][Branch2][=N][C][=C][Branch1][C][N][N][=C][Branch1][C][F][N][=C][Ring1][Branch2][Ring2][Ring1][=Branch1] |
O=c1c(=Cc2ccc(c3ccc(F)cc3)o2)sc2nc3cccnc3n12 | [O][=C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][S][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][Ring1][=Branch2] |
CCC[NH2+]CCCCS(=O)(=O)N1CCC(C)(CC)CC1 | [C][C][C][NH2+1][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][Ring1][C][C][C][C][Ring1][=Branch2] |
Cc1nc(NC(=O)Nc2cccc(OC(C)C3CCC[NH2+]3)n2)cs1 | [C][C][=N][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][O][C][Branch1][C][C][C][C][C][C][NH2+1][Ring1][Branch1][=N][Ring1][=C][=C][S][Ring2][Ring1][#Branch1] |
O=[N+]([O-])c1ccc(C[n+]2cc(c3ccc(Cl)cc3)n3c2CCC3)cc1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][O][C][N+1][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Ring1][N][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] |
CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+]C1(CCC1)CO2 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][NH2+1][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][O] |
CC(C(Cc1cc(C(=O)Nc2ccccc2)ccn1)c1ccc2c(c1)OCO2)N(CC=Cc1ccccc1)C(=O)C(O)=C(CC(=O)[O-])C(=O)OC(C)(C)C | [C][C][Branch2][Ring2][N][C][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][Ring1][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Branch1][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
NC(=[NH+]O)c1cccc(Oc2ccccc2)c1C(N)=[NH+]O | [N][C][=Branch1][Ring1][=NH1+1][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][Branch1][C][N][=NH1+1][O] |
O=C(Cl)c1ccc2c(c1)OCOC2 | [O][=C][Branch1][C][Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][C][Ring1][#Branch1] |
CCOC1(O)OCCC1OC | [C][C][O][C][Branch1][C][O][O][C][C][C][Ring1][=Branch1][O][C] |
Cc1cc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][O][Ring2][Ring1][Ring1] |
Cc1c(C#N)oc2nc(N)ncc12 | [C][C][=C][Branch1][Ring1][C][#N][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][N][Ring1][#Branch1] |
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1c1cnnn1c1c(F)cccc1F | [O][=C][NH1][C][=Branch1][C][=O][N][Branch1][#C][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=C][Ring1][#C][C][=C][N][=N][N][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] |
Cc1sc(NC2CC2)nc1c1ccc(F)cc1 | [C][C][S][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
COC(=O)C(C(=O)OC)C1CCCCC1Br | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][Ring1][=Branch1][Br] |
O=S(=O)(c1cccc(F)c1)N(CCc1cccs1)Cc1ccoc1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][=C][O][C][=Ring1][Branch1] |
O=C([O-])c1cnc(N2CC3CCCC3C2)c([N+](=O)[O-])c1 | [O][=C][Branch1][C][O-1][C][=C][N][=C][Branch1][=N][N][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][Branch2][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][P] |
CC1OCCC1C(Br)c1ccc2c(c1)CC(=O)N2C | [C][C][O][C][C][C][Ring1][Branch1][C][Branch1][C][Br][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C] |
CCC(C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O | [C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] |
CCC(C)(CNC(=O)C1=NN(C)C(=O)CC1)[NH+]1CCOCC1 | [C][C][C][Branch1][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][C][Ring1][Branch2][NH1+1][C][C][O][C][C][Ring1][=Branch1] |
Cc1nc(C[NH+]2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)cs1 | [C][C][=N][C][Branch2][Ring1][=C][C][NH1+1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][P][=C][S][Ring2][Ring1][#Branch1] |
Cc1cnc(N2CCC(C)(C(N)=O)C2)c(N)c1 | [C][C][=C][N][=C][Branch2][Ring1][C][N][C][C][C][Branch1][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][C][Branch1][C][N][=C][Ring1][S] |
CC1(C)c2ccccc2-c2ccc(c3ccc(c4cccc5c6ccccc6n(c6cccc(c7ccc8c9ccccc9c9ccccc9c8c7)c6)c45)cc3)cc21 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][=Branch1][N][C][=C][C][=C][Branch2][Branch1][S][C][=C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][Branch2][C][=C][C][=C][C][Branch2][Ring1][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring2][Branch1][=Ring2][Ring1][P][C][=C][Ring2][Ring2][O][C][=C][Ring2][Ring2][P][Ring2][Branch1][=Branch2] |
CSCCC(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] | [C][S][C][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][=Branch1][C][=O][O-1] |
CC=CCC(C)CCCCCC | [C][C][=C][C][C][Branch1][C][C][C][C][C][C][C][C] |
CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]34CCC(CC3)C(Cl)C4)CSC12)c1csc(N)n1 | [C][O][N][=C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][Ring1][C][N+1][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Branch1][C][Cl][C][Ring1][=Branch2][C][S][C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1] |
Nc1ncn2c(N)csc12 | [N][C][N][=C][N][C][Branch1][C][N][=C][S][C][=Ring1][=Branch2][Ring1][=Branch1] |
CCOC(=O)CCC(=O)N(CCCOC)CCOC | [C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][O][C][C][C][O][C] |
CC1CN(c2ccc([N+](=O)[O-])c3nonc23)CC(CO)O1 | [C][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][O][N][=C][Ring1][N][Ring1][Branch1][C][C][Branch1][Ring1][C][O][O][Ring2][Ring1][Ring2] |
CN1C=CN(CC2CCC[NH+]2CC(=O)NCCC(=O)NCCC(=O)NCCCC(=O)[O-])CC1 | [C][N][C][=C][N][Branch2][Ring2][Branch1][C][C][C][C][C][NH1+1][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][S] |
Cn1cc(C2OCCCC2NC(=O)CCNC(=O)C2CCCCC2)cn1 | [C][N][C][=C][Branch2][Ring1][=N][C][O][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch2] |
CCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)NC)c2)cc1 | [C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] |
CSc1cc(c2ccc(c3cc(OCC(C)C)cc(Br)n3)s2)nc(c2ccc(c3cc(SC)cc(c4ccc(c5cc(SC)cc(c6ccc(c7cc(OCC(C)C)cc(Br)n7)s6)n5)s4)n3)s2)c1 | [C][S][C][=C][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][C][Branch1][C][Br][=N][Ring1][N][S][Ring1][P][=N][C][Branch2][#Branch1][Branch1][C][=C][C][=C][Branch2][=Branch1][#Branch2][C][=C][C][Branch1][Ring1][S][C][=C][C][Branch2][Branch1][#Branch2][C][=C][C][=C][Branch2][Ring2][#C][C][=C][C][Branch1][Ring1][S][C][=C][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][C][Branch1][C][Br][=N][Ring1][N][S][Ring1][P][=N][Ring2][Ring1][=Branch2][S][Ring2][Ring1][=C][=N][Ring2][Ring2][=Branch1][S][Ring2][Ring2][O][=C][Ring2][=Branch1][C] |
COCc1c(C(=O)NC2CCN(c3cc(Cl)ccc3OC)C2)sc2cccc(F)c12 | [C][O][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][=C][S][C][=C][C][=C][C][Branch1][C][F][=C][Ring2][Ring1][O][Ring1][#Branch1] |
O=C(c1ccccc1I)N(Cc1ccoc1)Cc1cccs1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][I][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][C][=C][C][=C][S][Ring1][Branch1] |
CCCCC1CC12CC2CBr | [C][C][C][C][C][C][C][Ring1][Ring1][C][C][Ring1][Ring1][C][Br] |
CN(CCOc1cccc(Cl)c1)C(=O)Cc1csc(c2ccccn2)n1 | [C][N][Branch1][#C][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O] |
CC([NH3+])C(=O)NCc1nncn1C | [C][C][Branch1][C][NH3+1][C][=Branch1][C][=O][N][C][C][=N][N][=C][N][Ring1][Branch1][C] |
COC(=O)c1ccc(N2C(=O)CC(N(Cc3ccccc3)C(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C][C][Branch2][Ring2][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][Ring2][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][P] |
CC(C)(C)CCNc1ccc(NS(C)(=O)=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] |
CCc1ccc(NC(=O)c2cnc(NCc3cccc(C)c3)cn2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CCOC(=O)c1cnn(C)c1C[NH2+]CCC(C)(C)C | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][NH2+1][C][C][C][Branch1][C][C][Branch1][C][C][C] |
Cn1ncc(NCC2CCC3(CCCCC3)O2)c(Br)c1=O | [C][N][N][=C][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Branch1][C][Br][C][Ring2][Ring1][Ring1][=O] |
CC(=O)NC(C)c1cc2cc(OCc3ccc(OCCC4CC4)cc3)ccc2o1 | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Ring1][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][#Branch1] |
CCCCCNC(=O)C1CCCN(c2nccnc2Sc2ccc(C)cc2)C1 | [C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Branch1][C][=N][C][=C][N][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2] |
CCCCCCCCCCn1c2cc(F)c(N)cc2c2cc(I)c(F)cc21 | [C][C][C][C][C][C][C][C][C][C][N][C][=C][C][Branch1][C][F][=C][Branch1][C][N][C][=C][Ring1][Branch2][C][=C][C][Branch1][C][I][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring1][P] |
COc1ccc(NC(=O)Nc2nc3cc(C)c(C)cc3s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][S][Ring1][O][C][=C][Ring2][Ring1][Branch1] |
COc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4cc(F)ccc4F)c3C)CC2)ccc1NC(=O)c1ccccc1F | [C][O][C][=C][C][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C][C][C][NH1+1][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=C][Ring1][P][C][C][C][Ring2][Ring1][N][=C][C][=C][Ring2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CCC[NH2+]C(COC)CN1CCC2CCCCC2C1 | [C][C][C][NH2+1][C][Branch1][Ring2][C][O][C][C][N][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2] |
CC(=O)OCC(C)n1c(=O)c(c2ccnn2c2ccc(C#N)cc2)c(C)n(c2cccc(C(F)(F)F)c2)c1=O | [C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Branch1][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][Ring2][Ring1][#C][=O] |
COc1cc(N)cc(C[NH+](C)CC(C)(C)O)c1 | [C][O][C][=C][C][Branch1][C][N][=C][C][Branch1][#C][C][NH1+1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][O][=C][Ring1][#C] |
Cc1cc(C)c(OCCC(C)C)c(S(=O)(=O)Cl)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch2][O][C][C][C][Branch1][C][C][C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][Ring1][P] |
[NH3+]C1CC=C(Cc2cccc(Cl)c2)CC1 | [NH3+1][C][C][C][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=C] |
CCc1cnc(CNS(=O)(=O)c2ccc(C)cc2N)o1 | [C][C][C][=C][N][=C][Branch2][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][O][Ring2][Ring1][C] |
O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(c2ccco2)nn1c1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring1][=N][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCN(CCC#N)c1ncc[nH]c1=O | [C][C][N][Branch1][Branch1][C][C][C][#N][C][=N][C][=C][NH1][C][Ring1][=Branch1][=O] |
Cc1ccc(SCCC(=O)Nc2ccc(C(N)=O)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] |
Cc1cc(N)c(C)c(S(=O)(=O)NCCSC(F)(F)F)c1C | [C][C][=C][C][Branch1][C][N][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][S][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring1][C] |
CCCC(=O)OC1(C(=O)COC(C)=O)CCC2C3=C(C(O)CC21C)C1(C)C=CC(=O)C=C1CC3 | [C][C][C][C][=Branch1][C][=O][O][C][Branch1][N][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=O][C][C][C][C][=C][Branch1][N][C][Branch1][C][O][C][C][Ring1][#Branch1][Ring1][P][C][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][Branch2][C][C][Ring1][P] |
COc1ccc(S(=O)(=O)c2cc(F)ccc2NCC(=O)Nc2ccc(Br)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][N][O][C] |
O=C(Nc1ccccc1)N1CC[NH+](CCCc2ccccc2)CC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][NH1+1][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] |
O=c1c2[nH]c3ccccc3c2nc(SCc2ccc([N+](=O)[O-])cc2)n1c1ccccc1F | [O][=C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][=C][Branch2][Ring1][C][S][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
COC1(CNS(=O)(=O)c2ccnc(NN)c2)CCC1 | [C][O][C][Branch2][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Ring1][N][N][=C][Ring1][Branch2][C][C][C][Ring1][P] |
N#CC(NCC1CC1)c1ccccc1F | [N][#C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] |
CC[NH2+]CC(C)(O)c1ccc(C)cc1C | [C][C][NH2+1][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] |
C[NH+](C)CCCNC1CS(=O)(=O)CC1S(=O)(=O)c1ccc(F)cc1 | [C][NH1+1][Branch1][C][C][C][C][C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CCC1CCCCN1c1cc(NC2CCCC2)ncn1 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][=N][C][=N][Ring1][N] |