SMILES
stringlengths 3
3.54k
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stringlengths 4
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|---|---|
CC(C)=C1c2ccccc2CCN1C(=O)C(Cl)(Cl)Cl | [C][C][Branch1][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][Branch1][C][Cl][Cl] |
C=CCOC1(C)CCN(c2c(C(OC(C)(C)C)C(=O)[O-])c(C)c(C)c3[nH+]c(c4cccc(c5cc(OC(F)(F)F)ccc5OC(C)CC=C)c4)cn23)CC1 | [C][=C][C][O][C][Branch1][C][C][C][C][N][Branch2][#Branch1][Ring2][C][=C][Branch2][Ring1][C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O-1][C][Branch1][C][C][=C][Branch1][C][C][C][=NH1+1][C][Branch2][Ring2][Branch2][C][=C][C][=C][C][Branch2][Ring1][N][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][O][O][C][Branch1][C][C][C][C][=C][=C][Ring2][Ring1][#Branch1][=C][N][Ring2][Ring2][O][Ring2][Ring1][N][C][C][Ring2][Branch1][C] |
CCn1cc2c(n1)-c1c(C)c(C(=O)C3C(=O)CCCC3=O)cc(C)c1S(=O)(=O)C2 | [C][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][Branch1][C][C][C][Branch1][P][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][=O][=C][C][Branch1][C][C][=C][Ring2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring2][Ring1][=Branch2] |
CCOC(=O)c1ncn2c1CN=C(c1cccs1)c1ccccc1-2 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CC(C)(CCCO)CNC(=O)c1cc2ccc(F)cc2s1 | [C][C][Branch1][C][C][Branch1][Branch1][C][C][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][#Branch2] |
BN1CCCC1Cc1cccc(CC)c1 | [B][N][C][C][C][C][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2] |
O=C(CCCl)NC(=O)N=CC=C1CC=CC=C1 | [O][=C][Branch1][Ring2][C][C][Cl][N][C][=Branch1][C][=O][N][=C][C][=C][C][C][=C][C][=C][Ring1][=Branch1] |
Cc1ccc(Br)c(C(=O)NCc2ccc(C(N)=S)cc2)c1 | [C][C][=C][C][=C][Branch1][C][Br][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=S][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] |
Cc1cncc(S(=O)(=O)Cl)c1 | [C][C][=C][N][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][Ring1][#Branch2] |
Nc1[nH]ncc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 | [N][C][NH1][N][=C][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CCC(C[NH3+])Oc1ccc(CO)cc1 | [C][C][C][Branch1][Ring1][C][NH3+1][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2] |
CCNc1cc(Oc2ccc(F)cc2C)nc(C2CC2)n1 | [C][C][N][C][=C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][C] |
CC1(C)CCC(n2c(=O)[nH]c3cc(C(=O)[O-])ccc32)C1 | [C][C][Branch1][C][C][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring1][=N][C][Ring2][Ring1][Ring1] |
CN(CCO)C(=S)N1CC[NH+](CCO)CC1 | [C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=S][N][C][C][NH1+1][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2] |
CCOc1nc2c(ccc3ccccc32)c2c1C=CC(c1ccccc1)(c1ccccc1)O2 | [C][C][O][C][=N][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][C] |
C=C1COc2ccc3ccccc3c2C(=O)C1=C([NH2+]C)c1ccccc1 | [C][=C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][S][=C][Branch1][Ring1][NH2+1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(Cn1ccc(C(F)(F)F)n1)N1CC[NH+](C2CCCC2O)CC1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][N][C][C][NH1+1][Branch1][=Branch2][C][C][C][C][C][Ring1][Branch1][O][C][C][Ring1][N] |
Nc1ncc(c2ccccc2Cl)cc1C=O | [N][C][=N][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][=N][C][=O] |
Cc1ccc(C)c(c2[nH]c3ccc(OC4CCCCC4)cc3c2CC(=O)[O-])c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#C][C][NH1][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][=Ring1][S][C][C][=Branch1][C][=O][O-1][=C][Ring2][Ring1][O] |
COc1c(C)cnc(CC(C)(O)C[NH2+]CC(C)C)c1C | [C][O][C][=C][Branch1][C][C][C][=N][C][Branch1][P][C][C][Branch1][C][C][Branch1][C][O][C][NH2+1][C][C][Branch1][C][C][C][=C][Ring1][P][C] |
CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[NH+](CC)C2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=C][Ring1][P][C][C][NH1+1][Branch1][Ring1][C][C][C][Ring1][Branch2] |
COc1ccc(Br)cc1NC(=O)CCBr | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][Br] |
CN(C)c1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(OCc2ccccc2C#N)c1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][Branch1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=C][Ring2][Ring1][=C] |
O=NC=C1CCc2cc(c3nc(CN4CC[NH2+]CC4)[nH]c3c3ccncc3)ccc21 | [O][=N][C][=C][C][C][C][=C][C][Branch2][Ring1][O][C][N][=C][Branch1][#Branch2][C][N][C][C][NH2+1][C][C][Ring1][=Branch1][NH1][C][=Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][O] |
COc1ccc(C(O)[NH+](C)C)c(C)c1C | [C][O][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][O][NH1+1][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][N][C] |
OC(Cc1ccc(C(F)(F)F)cc1)c1c(F)cccc1Br | [O][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Br] |
COc1c(NCCc2nc(C(=O)[O-])cs2)[nH]cnc1=O | [C][O][C][=C][Branch2][Ring1][C][N][C][C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][S][Ring1][Branch2][NH1][C][=N][C][Ring1][P][=O] |
COc1ccc(NC(C)C(N)=O)cn1 | [C][O][C][=C][C][=C][Branch1][O][N][C][Branch1][C][C][C][Branch1][C][N][=O][C][=N][Ring1][N] |
CCC(C(=O)NCCC1=CCCCC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O | [C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] |
Cn1c(N)c(c2nc3ccccc3c(=O)o2)c(=O)n(C)c1=O | [C][N][C][Branch1][C][N][=C][Branch2][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] |
FC1CC[NH2+]C2(CCSC2)C1 | [F][C][C][C][NH2+1][C][Branch1][#Branch1][C][C][S][C][Ring1][Branch1][C][Ring1][#Branch2] |
O=C(Cc1ccc(Br)cc1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][S] |
C=CCC(O)(CCl)CCCCl | [C][=C][C][C][Branch1][C][O][Branch1][Ring1][C][Cl][C][C][C][Cl] |
COc1cc(N2C(=O)C(Nc3cccc(C(C)=O)c3)=C(Sc3ccccc3)C2=O)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][Branch1][P][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S][O][C] |
O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CC2)c1n1cccn1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][C][O][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch2][C][C][=N][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Ring1][Branch2][N][C][=C][C][=N][Ring1][Branch1] |
Cc1nc2c(c(NCc3ccccn3)n1)CCC2 | [C][C][=N][C][=C][Branch1][P][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][=C][C][C][C][Ring1][#C] |
Cc1sc(c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1 | [C][C][S][C][Branch1][S][C][=N][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][Ring1][=Branch2][=C][C][=Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring1][=C] |
CC=C(C)C=NNC(=O)CCCCCCC(=O)Nc1ccccc1O | [C][C][=C][Branch1][C][C][C][=N][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CCC(Sc1cccc(NC(=O)c2ccccc2C)c1)C(=O)Nc1cc(OC)cc(OC)c1 | [C][C][C][Branch2][Ring1][#Branch2][S][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] |
Cc1onc(c2ccccc2)c1C(=O)NN(C(N)=O)C1CCCCC1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][C][C][C][Ring1][=Branch1] |
CCOc1ccc(NC2CCOC(C)(CC)C2)c(C)c1 | [C][C][O][C][=C][C][=C][Branch1][P][N][C][C][C][O][C][Branch1][C][C][Branch1][Ring1][C][C][C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring1][P] |
O=C(Nc1ccc(C2OC(CSCCO)CC(c3ccc(CO)cc3)O2)cc1)c1cccnc1 | [O][=C][Branch2][Ring2][N][N][C][=C][C][=C][Branch2][Ring1][#C][C][O][C][Branch1][=Branch1][C][S][C][C][O][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CN(c1nc(C2CC2)c(C[NH2+]C2CC2)s1)C1CCCCC1 | [C][N][Branch2][Ring1][Branch2][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Branch1][Branch2][C][NH2+1][C][C][C][Ring1][Ring1][S][Ring1][=N][C][C][C][C][C][C][Ring1][=Branch1] |
Cc1sc(C[NH2+]C2C(NC(=O)OC(C)(C)C)C3CCOC32)cc1Br | [C][C][S][C][Branch2][Ring1][=C][C][NH2+1][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][O][C][Ring1][Branch1][Ring1][#C][=C][C][=Ring2][Ring1][=Branch1][Br] |
CN(Cc1ccccn1)c1ccc(CCl)c(Cl)c1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2] |
COC(=O)Cc1ccc(OCc2ccc3ccccc3n2)c(Br)c1 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Branch1][C][Br][=C][Ring2][Ring1][Ring1] |
CC(C)(C)c1ccccc1OC(=O)COc1ccccc1Br | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] |
CCS(=O)(=O)C1=NN2C(=[NH2+])C(=Cc3ccc(OCCCOc4cccc(C)c4)c(OC)c3)C(=O)[NH+]=C2S1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][N][C][=Branch1][C][=NH2+1][C][=Branch2][Ring1][P][=C][C][=C][C][=C][Branch1][P][O][C][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][NH1+1][=C][Ring2][Ring1][=N][S][Ring2][Ring1][S] |
C[NH2+]C(c1cccc(OC)c1)c1cc2cccc(Cl)c2o1 | [C][NH2+1][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][Ring1][#Branch2] |
Nc1ccc(SCc2cncc(F)c2)c(F)c1 | [N][C][=C][C][=C][Branch1][=C][S][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][S] |
CC(=NNC(=O)Cc1ccc(C)cc1)c1ccc(C)c(C)c1 | [C][C][=Branch2][Ring1][Ring1][=N][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2] |
CCOc1cc(c2ccccc2)sc1C(=O)N1CCN(c2ncccc2C#N)CC1 | [C][C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][Ring1][=C] |
CNC(=O)CN1CCN(c2cccc(Cl)c2)C1=O | [C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][N][=O] |
CCn1cc(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2cc(C)ccc21 | [C][C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1] |
C[NH2+]C(C)Cc1csc(CCc2ccccc2)n1 | [C][NH2+1][C][Branch1][C][C][C][C][=C][S][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N] |
CCc1c(C)nc2n(c1=O)C[NH+](C1CCCC1)CN2c1cccc(C)c1C | [C][C][C][=C][Branch1][C][C][N][=C][N][Branch1][Branch1][C][Ring1][#Branch1][=O][C][NH1+1][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][N][Ring1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C] |
Cc1cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4cc(F)ccc4F)c3C)CC2)ccc1NC(=O)c1cccc(Cl)c1 | [C][C][=C][C][Branch2][Branch1][P][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][NH1+1][Branch2][Ring2][#Branch1][C][Branch1][C][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][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CCCn1ccnc1c1cccc(NC(=O)C2CCCOC2)c1 | [C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][O][C][Ring1][=Branch1][=C][Ring1][#C] |
COc1ccc(CC(=O)NCc2cccnc2c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] |
Cc1ccccc1c1noc(C(C)C(C)C(=O)[O-])n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][Branch1][=C][C][Branch1][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O-1][=N][Ring1][N] |
O=C(c1ccccc1)N(NC1CCCCC1O)C(=O)c1ccccc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][O][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCCc1csc(Cc2cccc(F)c2)n1 | [C][C][C][C][=C][S][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][=N] |
CC(C)CN(CCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cnccn1 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][C][NH1+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1] |
C#CC(C)(C)OCCP(C)(=O)OC | [C][#C][C][Branch1][C][C][Branch1][C][C][O][C][C][P][Branch1][C][C][=Branch1][C][=O][O][C] |
CC[NH2+]C(Cc1cccnc1)c1ccc(Cl)c(Cl)c1 | [C][C][NH2+1][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
C=Cc1ccc(COc2ccc3c(=O)c(Oc4ccc(C(=O)OCCC)cc4)coc3c2)cc1 | [C][=C][C][=C][C][=C][Branch2][Ring2][N][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][O][C][C][C][C][=C][Ring1][N][=C][O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][S] |
O=C([O-])C1Cc2cc(Cl)cc(I)c2O1 | [O][=C][Branch1][C][O-1][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][I][=C][Ring1][Branch2][O][Ring1][O] |
[NH3+]CCc1ccnc(C2CC2)n1 | [NH3+1][C][C][C][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][=Branch2] |
CCCCC(C)(C)c1[nH+]c(C(C)C(C)C)[nH]c1C(C)C(C)C | [C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][NH1+1][=C][Branch1][#Branch2][C][Branch1][C][C][C][Branch1][C][C][C][NH1][C][=Ring1][#Branch2][C][Branch1][C][C][C][Branch1][C][C][C] |
COc1cc(NC(=O)CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(=O)N4CCOCC4)c3)CC2)ccc1NC(C)=O | [C][O][C][=C][C][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C][NH1+1][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C][C][C][Ring2][Ring1][=Branch2][=C][C][=C][Ring2][Ring2][#Branch1][N][C][Branch1][C][C][=O] |
CC(C)(O)C#Cc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1 | [C][C][Branch1][C][C][Branch1][C][O][C][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][=C][Ring2][Ring1][C] |
CCOC(c1ccccc1)c1ccccn1 | [C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CCc1cc(C)ccc1C(=O)NCC(C)C | [C][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C] |
CCCC(NC(=O)c1cc(C)n(c2ccc(OC)cc2)n1)C(=O)[O-] | [C][C][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=Ring1][=C][C][=Branch1][C][=O][O-1] |
COC(=O)C(C)NC(=O)C(CCSC)NC(=O)OCc1ccccc1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CN(CCC(F)(F)F)c1c(F)cccc1CC[NH3+] | [C][N][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][C][NH3+1] |
Cc1ncc(C[NH+](C)C)c(C2CCC[NH+]2Cc2ccsc2)n1 | [C][C][=N][C][=C][Branch1][#Branch1][C][NH1+1][Branch1][C][C][C][C][Branch1][S][C][C][C][C][NH1+1][Ring1][Branch1][C][C][C][=C][S][C][=Ring1][Branch1][=N][Ring2][Ring1][Branch1] |
CC(NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)c1cccs1 | [C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][=C][C][=C][S][Ring1][Branch1] |
Cc1ccccc1C(=O)c1cnc(Nc2ccc(CNS(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)cc2)s1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring2][#Branch2][N][C][=C][C][=C][Branch2][Ring1][=N][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][=C][Ring2][Ring1][=Branch1][S][Ring2][Ring1][N] |
CC1C[NH+](CC2(C)CCC[NH2+]C2)CCO1 | [C][C][C][NH1+1][Branch1][=N][C][C][Branch1][C][C][C][C][C][NH2+1][C][Ring1][#Branch1][C][C][O][Ring1][=C] |
Cn1cnnc1SCCNC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C][S][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][N][Ring1][O][C][Ring1][#C] |
CCOC(=O)C1CCC(CF)(CF)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring1][C][F][Branch1][Ring1][C][F][C][C][Ring1][#Branch2] |
COc1c(C)cccc1C(=O)Nc1ccccc1c1nc(c2ccncc2)no1 | [C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] |
Cc1ccc(C)c(C(=O)CCC(=O)NC2(C(=O)[O-])CCC2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] |
Cc1nc(=O)[nH]c(C)c1CCC(=O)NCC1CC[NH+](C2CC2)CC1 | [C][C][=N][C][=Branch1][C][=O][NH1][C][Branch1][C][C][=C][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][C][C][C][NH1+1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch2] |
OB(O)N1CC[NH2+]CC1Cl | [O][B][Branch1][C][O][N][C][C][NH2+1][C][C][Ring1][=Branch1][Cl] |
CCN(CCc1ccncc1)C(=S)NCCN1C(=O)CSC1=O | [C][C][N][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=S][N][C][C][N][C][=Branch1][C][=O][C][S][C][Ring1][=Branch1][=O] |
COc1cccc2cc(c3cn(c4ccccc4C)c(=S)[nH]3)c(=O)oc12 | [C][O][C][=C][C][=C][C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=S][NH1][Ring1][=N][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch2][=Ring2][Ring1][Ring2] |
CCc1nc(C)nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1Cc1ccc(Cl)cc1 | [C][C][C][=N][C][Branch1][C][C][=N][C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring1][P][=C][Ring2][Ring1][Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
COC(=O)Cn1ccc(CC(C)C)c1C1(Nc2ccc(N3CCN(c4cc(C)cc(C)n4)CC3)cc2)CCCCO1 | [C][O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][C][Branch2][Ring2][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][C][C][C][O][Ring2][Ring1][O] |
Nc1cccc(n2c(C3CCC[NH2+]3)nc3ccccc32)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][Branch1][Branch2][C][C][C][C][NH2+1][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][=C][Ring2][Ring1][Ring2] |
COc1nc(NC(C)CC(C)O)nc(OC)n1 | [C][O][C][=N][C][Branch1][N][N][C][Branch1][C][C][C][C][Branch1][C][C][O][=N][C][Branch1][Ring1][O][C][=N][Ring1][#C] |
CCC(C)c1ccc(OCC[NH2+]C)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][O][C][C][NH2+1][C][C][=C][Ring1][O] |
C=CC1C[N+](Cc2ccccc2)(C(C)CC)CCC1C | [C][=C][C][C][N+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][#Branch1][C][Branch1][C][C][C][C][C][C][C][Ring1][P][C] |
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ncc(c4ccccc4)o3)CC2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=C] |
CC(=O)OCc1cnccn1 | [C][C][=Branch1][C][=O][O][C][C][=C][N][=C][C][=N][Ring1][=Branch1] |
Cc1nn(C)cc1C(=O)Nc1cccnc1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] |
Cc1[nH]c(c2ccc(Cl)c(N)c2)c[nH+]1 | [C][C][NH1][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][Branch2][=C][NH1+1][=Ring1][=N] |
Clc1ccccc1c1nc(SCc2ccccn2)n[nH]1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][O][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][NH1][Ring1][=N] |
CC(=NNC(N)=S)c1ccc(n2cccc2)cc1 | [C][C][=Branch1][Branch2][=N][N][C][Branch1][C][N][=S][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O] |