SMILE
stringlengths 1
100
| SELFIE
stringlengths 3
558
|
|---|---|
COc1ccc(-c2[nH]ncc2CN2CCCN(C(=O)c3ccco3)CC2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][NH1][N][=C][C][=Ring1][Branch1][C][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch2][F] |
O=C1Nc2ccccc2C2(CCN(C(=O)NC3CCC(c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)O1 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][Branch1][C][C][N][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][Ring2][=O][C][C][Ring2][Ring1][=C][O][Ring2][Ring2][#Branch1] |
O=C(Nc1ccc(O)c2ccccc12)c1cc(NC2CCCCC2)ncn1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=N][Ring1][=N] |
COc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12 | [C][O][C][=N][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][C][=C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][#C][O][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][N][Ring2][Ring1][Ring1][Ring1][S][=C][Ring2][Ring2][#Branch1][Ring2][Ring1][N] |
Cc1cc(C)[n+](CC(=O)N=c2sc(S(N)(=O)=O)nn2C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=N+1][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][=C][S][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=N][N][Ring1][=Branch2][C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] |
O=S(=O)(Nc1cc(Sc2nnnn2-c2ccccc2)c(O)c2ccccc12)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch2][Ring2][=Branch1][N][C][=C][C][Branch1][P][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COC(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2nc1O | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][O][O] |
CCCCCOC(=O)N1CCN(C(=O)C(CCC(=O)O)NC(=O)c2cc(OCC3CCN(C)CC3)nc(-c3ccccc3)n2)CC1 | [C][C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][=C][O][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1][C][C][Ring2][Ring2][=Branch1] |
CCC1(C)OC(=O)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1 | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
COc1ccc(Cl)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][C][Branch1][C][N][=N][Ring1][#C] |
COc1ccc(CCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C][O][C] |
C=CCNC(S)=NNC(=O)C(CCCC)CC(O)COCC(C)C | [C][=C][C][N][C][Branch1][C][S][=N][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][C][C][C][Branch1][C][O][C][O][C][C][Branch1][C][C][C] |
Cc1ccc(C2OC2C(=O)c2ccc3c(c2)CCCC3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CSc1ccc(-n2c(C=Cc3ccco3)nc3ccccc3c2=O)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][O][N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2] |
CN1Cc2ccccc2C(c2cccc3ccoc23)C1 | [C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][=C][C][=C][C][C][=C][O][C][Ring1][=Branch2][=Ring1][Branch1][C][Ring2][Ring1][Ring1] |
NC(=O)c1cccc2c1OC(=Cc1ccc(O)cc1O)C2=O | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][=C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Ring1][=C][=O] |
Cc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc3ccccc23)c(Cl)c1 | [C][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][N] |
O=S(=O)(c1cccc(F)c1)c1cn(C2CCNC2)c2ccccc12 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][N][Branch1][Branch2][C][C][C][N][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] |
Cc1ccc(NC(=S)NC(=O)c2cn(CCO)c3c(cc(Cl)c4ncccc43)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring2][O][N][C][=Branch1][C][=S][N][C][=Branch1][C][=O][C][=C][N][Branch1][Ring2][C][C][O][C][=C][Branch1][S][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][#C] |
CC(=O)c1c(O)cc2n(c1=O)-c1ccc(Cl)cc1C2(C)C | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][N][Branch1][Branch1][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][N][Branch1][C][C][C] |
COc1cc2nc(NC3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC | [C][O][C][=C][C][=N][C][Branch2][Ring1][=N][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F][=C][Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch1][O][C] |
O=C(Nc1cc(Cl)ccn1)c1nc(N2CCCC2)ncc1Cl | [O][=C][Branch1][=N][N][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][O][Cl] |
COc1cccc(C(=O)N2COC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Branch1][O][C][=Branch1][C][=O][N][C][O][C][Branch2][Ring1][N][C][C][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch1] |
Cc1ccccc1OC1CCN(C(=O)C2CCC(=O)N(C3CCCC3)C2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][N][C][C][Ring2][Ring1][Ring2] |
O=S(=O)(Cc1cc(-c2ccccc2)no1)CC1CCCO1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][C][C][C][C][O][Ring1][Branch1] |
NC1=NC(c2cc(NC(=O)c3ccc(=O)[nH]c3)ccc2F)(C(F)F)COC1 | [N][C][=N][C][Branch2][Ring1][N][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][=C][C][=C][Ring1][S][F][Branch1][=Branch1][C][Branch1][C][F][F][C][O][C][Ring2][Ring1][#Branch2] |
CCNc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-] | [C][C][N][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P][N+1][=Branch1][C][=O][O-1] |
CCCCCCc1ccc2c(c1)Cc1cc(OC)ccc1C2CN | [C][C][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring1][=N][C][N] |
CCN(c1cc(-c2nccn2C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)C)CC1 | [C][C][N][Branch2][Ring2][=N][C][=C][C][Branch1][=Branch2][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][NH1][C][Ring1][Branch2][=O][=C][Ring2][Ring1][=Branch2][C][C][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch2] |
Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(CC2NC(=O)C(CCS(C)(=O)=O)NC2CCNCC2)C3(C)C)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Branch1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Branch2][Ring1][S][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][N][C][C][C][N][C][C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][Branch1][C][C][C][C][C][Ring2][Ring2][Ring2] |
CCOC(=O)NN1C(=O)c2ccccc2NC1c1cccs1 | [C][C][O][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=C][S][Ring1][Branch1] |
O=C(c1nc[nH]c1C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 | [O][=C][Branch2][Ring1][=C][C][N][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
CC1(CO)OC(n2ccc(N)nc2=O)C(F)C1O | [C][C][Branch1][Ring1][C][O][O][C][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][Branch1][C][F][C][Ring1][S][O] |
COC(=O)c1cc(NC(=O)Cc2ccc(OC)cc2)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch1] |
CC(=O)N1N=C(c2ccc(C)nc2)OC1c1ccc(Br)cc1 | [C][C][=Branch1][C][=O][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][O][C][Ring1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
NCCCC(=O)O | [N][C][C][C][C][=Branch1][C][=O][O] |
NCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F | [N][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][=N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][S][Ring1][#C][C][=Ring2][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F] |
CNC(=O)C12CC1C(n1cnc3c(NC(C)C)nc(C#Cc4ccc(Cl)s4)nc31)C(O)C2O | [C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Branch2][Ring2][=Branch1][N][C][=N][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][C][N][=C][Branch1][=N][C][#C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][N][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1][C][Branch1][C][O][C][Ring2][Ring1][N][O] |
Cc1ccc(NC2=CC(=O)CS2)cc1C | [C][C][=C][C][=C][Branch1][N][N][C][=C][C][=Branch1][C][=O][C][S][Ring1][=Branch1][C][=C][Ring1][=N][C] |
COCC(NC(C)=O)C(=O)NCc1ccc(Oc2cccc(C)c2)cc1 | [C][O][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] |
CC(NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)c1ccccc1 | [C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C1Nc2ccc(F)c(F)c2C(C#Cc2ccco2)(C(F)(F)F)O1 | [O][=C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][#Branch2][C][#C][C][=C][C][=C][O][Ring1][Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][#Branch1] |
Cc1ccccc1C(=O)N=c1[nH][nH]c2c1CN(C(=O)N1CCN(CC3CCOCC3)CC1C)C2(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][=C][NH1][NH1][C][=C][Ring1][Branch1][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][Branch1][Branch1][C][C][C] |
CC(=O)c1ccc(N2CCN(Cc3cccs3)CC2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C] |
COc1ccc(OCC(=O)NC(C)c2ccc(F)cc2)c(C(=O)O)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][#Branch1] |
COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1C1OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][S][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][O][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O] |
O=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][N][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
COc1cc2ncnc(Nc3cc(I)ccc3C(=O)O)c2c(OC)c1OC | [C][O][C][=C][C][=N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][=C][Ring1][P][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(=O)c2cc(F)c(N3CCNCC3)cc21 | [C][C][N][C][=C][Branch2][Ring1][Branch1][C][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][NH1][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N][Ring2][Ring1][=C] |
COc1ccc2c(c1)CCCC21CC(=O)N(CC[Se]C#N)C1=O | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][Se][C][#N][C][Ring1][O][=O] |
Cc1ccc(CC2CC(=O)N(c3nc4ccccc4n3C)C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Ring1][S][=O][C][=C][Ring2][Ring1][Branch2] |
CC(C)c1csc(CCc2ccn3c(=O)c(C=CC(=O)O)c(N4CCC(N(C)C)CC4)nc3c2)n1 | [C][C][Branch1][C][C][C][=C][S][C][Branch2][Ring2][S][C][C][C][C][=C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][C][=Branch1][C][=O][O][=C][Branch1][S][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch2][N][=C][Ring2][Ring1][Branch1][C][=Ring2][Ring1][=Branch2][=N][Ring2][Ring1][S] |
CC1c2ccoc2CC2C1CCC1C(CO)(C(=O)O)CCCC21C | [C][C][C][C][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][=Branch2][C][C][C][C][Branch1][Ring1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][#C][Ring1][O][C] |
Cc1cnccc1CNC(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1 | [C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C] |
Fc1cc(OC2CCNCC2F)c2nc(-c3nnc4ccccn34)ccc2c1 | [F][C][=C][C][Branch1][O][O][C][C][C][N][C][C][Ring1][=Branch1][F][=C][N][=C][Branch1][=C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][Ring1][#C][=C][Ring2][Ring1][O] |
CCCC1NC(=O)C(C(C)C)NC(=O)C(Cc2ccc3ccccc3c2)NCCOc2ccccc2CCCNC1=O | [C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][Ring2][Ring2][=Branch1][=O] |
CC(C)c1ccccc1NC(=O)Nc1ncccc1OCc1ccccc1 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(O)CC(O)(CSCCCCCCc1ccc2ccccc2c1)C(=O)O | [O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch2][Ring1][#Branch1][C][S][C][C][C][C][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O] |
CCCC(N)C(=O)c1ccccc1 | [C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)(C)C(=O)NC12CC3CC(CC(CS(=O)(=O)NC(=O)c4ccc(N5CCN(Cc6ccccc6-c6ccc(Cl)cc6)CC5)cc4)(C3)C1)C2 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][=Branch1][=Branch2][C][C][Branch2][Branch1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][Branch1][Branch1][C][Ring2][Ring2][#Branch1][C][Ring2][Ring2][#Branch2][C][Ring2][Ring2][O] |
Nc1ncnc2c1ncn2CCOCP(=O)(O)OCCSC(=O)c1ccccc1 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][C][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(=NNC(=O)c1cccc(Br)c1)C1CC2CCC1C2 | [C][C][=Branch2][Ring1][C][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] |
Cc1cc(NC(=O)Nc2cccc(N(C)C)c2)c2ccccc2n1 | [C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] |
CCCn1c(C)nc2c(Nc3ccccc3)nc(C)nc21 | [C][C][C][N][C][Branch1][C][C][=N][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][C][N][=C][Ring1][=C][Ring2][Ring1][C] |
Cc1nc(SCC(=O)c2ccc(F)c(F)c2)nc(O)c1Oc1ccc(F)cc1 | [C][C][=N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
Cc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 | [C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][=C][C][Ring1][N][=C][Ring1][S] |
C1=NC(c2ccccc2)Cc2ccccc2N1 | [C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P] |
Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 | [C][C][S][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][C][Cl][=C][Ring2][Ring1][C] |
CCOC(=O)c1csc(NC(=O)CN2CCOCC2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][#C] |
COc1ccc(C2NC(=O)NC(C)=C2C(C)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][C][=O][C][=C][Ring1][P] |
CCOC(=O)c1cnn(-c2ccncc2[N+](=O)[O-])c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=Ring1][=C][N] |
CCOC(=O)CCn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O | [C][C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][N][Branch1][P][C][C][C][Branch1][Ring2][N][=N+1][=N-1][C][Branch1][Ring1][C][O][O][Ring1][#Branch2][C][Ring2][Ring1][C][=O] |
O=C(OCc1ccccc1)c1cc2c([nH]c3ccccc32)c(CCNC(Cc2ccccc2)C(=O)OCc2ccccc2)n1 | [O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch2][Ring1][=C][C][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring2][C] |
CCOC(=O)CCNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 | [C][C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
Cc1c(C(C)CN2CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)CC2)ccc2c1COC2=O | [C][C][=C][Branch2][Ring2][Branch2][C][Branch1][C][C][C][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][N][=C][Ring1][O][C][C][Ring2][Ring1][Ring2][C][=C][C][=C][Ring2][Ring1][=N][C][O][C][Ring1][Branch1][=O] |
CCN(CC)CCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][N][Branch1][C][C][C][=Ring1][=C][S][Ring1][P] |
Cc1cc(OCCCC(=O)NCCc2nnc3ccccn23)ccc1Cl | [C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][C][C][=Branch1][C][=O][N][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch2][Cl] |
CC=CC=CC=CC1CC(O)CC(=O)C1C | [C][C][=C][C][=C][C][=C][C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][Ring1][Branch2][C] |
O=C(CC=Cc1ccccc1)Nc1cccc(Cl)c1 | [O][=C][Branch1][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][S][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)c(=O)n(C)c1=O | [C][C][Branch1][C][C][C][N][C][Branch1][C][N][=C][Branch2][Ring2][=C][C][=Branch1][C][=O][C][O][C][=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][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][P][=O] |
COC(=O)C=C1C(=O)Nc2ccccc21 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
COc1ccc(C2=NN(C(=O)c3cc(OC)ccc3O)C(c3ccc(Br)cc3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=N][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
Oc1ccc2c(c1)C13CCCCC1C(C2)NCC3 | [O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][O][N][C][C][Ring1][O] |
Cc1cc(C)c2nc(C3(c4ccc(Cl)cc4)CC3)c(O)c(C(=O)O)c2c1 | [C][C][=C][C][Branch1][C][C][=C][N][=C][Branch2][Ring1][Ring1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][C][Branch1][C][O][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=Branch2] |
O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(NCc2ccc3[nH]ccc3c2)CC1 | [O][=C][Branch1][P][C][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][Ring1][P] |
CC1(C)[N+]([O-])=c2ccc(COc3cccc(C=O)c3)cc2=[N+]1[O-] | [C][C][Branch1][C][C][N+1][Branch1][C][O-1][=C][C][=C][C][Branch1][#C][C][O][C][=C][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2][=C][C][Ring1][S][=N+1][Ring2][Ring1][Branch1][O-1] |
CC1=NN=C(C)C1N=Nc1ccc2[nH]c(C)nc2c1 | [C][C][=N][N][=C][Branch1][C][C][C][Ring1][=Branch1][N][=N][C][=C][C][=C][NH1][C][Branch1][C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
COc1cc2c(c3oc(=O)c4c(c13)CCC4)C=CC(C)(C)O2 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Ring1][O][=Ring1][#Branch1][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][C] |
Cc1cc(-c2cccc(C(F)(F)F)c2)nn2c(C)nnc12 | [C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][N][C][Branch1][C][C][=N][N][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] |
CCCCCCCCN1CCC2(CC1)Cc1ccccc1C(=O)O2 | [C][C][C][C][C][C][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][=N] |
O=C(CF)NC1C(O)CC(OCc2cccc(F)c2F)(C(=O)O)OC1C(O)C(O)CNC(=O)c1ccccc1 | [O][=C][Branch1][Ring1][C][F][N][C][C][Branch1][C][O][C][C][Branch1][#C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Ring2][Ring1][Ring2][C][Branch1][C][O][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Clc1ccc(Cn2nc(Br)nc2Br)c(Cl)c1 | [Cl][C][=C][C][=C][Branch1][=N][C][N][N][=C][Branch1][C][Br][N][=C][Ring1][=Branch1][Br][C][Branch1][C][Cl][=C][Ring1][#C] |
CC(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2Cl)s1)C(=O)O | [C][C][Branch2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][Cl][S][Ring2][Ring1][C][C][=Branch1][C][=O][O] |
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(C5CC5)oc4cc3CC2)n1C | [C][C][N][=C][O][C][=Ring1][Branch1][C][=N][N][=C][Branch2][Ring1][S][S][C][C][C][N][C][C][C][=C][C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][C][=Ring1][Branch2][C][=C][Ring1][N][C][C][Ring1][P][N][Ring2][Ring1][#Branch2][C] |
CCc1nn(CCN)c(CC)c1Oc1cc(C)cc(C#N)c1 | [C][C][C][=N][N][Branch1][Ring2][C][C][N][C][Branch1][Ring1][C][C][=C][Ring1][#Branch2][O][C][=C][C][Branch1][C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2] |
CC(C)C(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCCC1C(=O)NC(C(=O)C(F)(F)F)C(C)C | [C][C][Branch1][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C] |
O=C1CSC(=NN=Cc2ccc3c(c2)OCO3)N1Cc1ccccc1 | [O][=C][C][S][C][=Branch2][Ring1][Ring1][=N][N][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cn1ccsc1=NS(=O)(=O)c1ccc(Br)cc1 | [C][N][C][=C][S][C][Ring1][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CCS(=O)(=O)NC(C)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] |
Subsets and Splits
No saved queries yet
Save your SQL queries to embed, download, and access them later. Queries will appear here once saved.