SMILE
stringlengths 1
100
| SELFIE
stringlengths 3
558
|
|---|---|
CSc1ccccc1NC(=O)CSCc1ccc(Br)cc1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
COc1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1N | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1][N] |
Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)C(c1ccco1)OCC3 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][N][=C][Ring1][O][N][Branch1][C][C][C][Ring1][P][=O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][C][C][Ring1][S] |
CCCCCCC=C(CCCCCCCC(=O)O)[N+](=O)[O-] | [C][C][C][C][C][C][C][=C][Branch1][=N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][N+1][=Branch1][C][=O][O-1] |
CN(C)CCC(=NNc1ccc(Cl)c(Cl)c1)c1ccccc1 | [C][N][Branch1][C][C][C][C][C][=Branch1][P][=N][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 | [C][C][C][C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C] |
COc1cccc(N2C(=O)C3NN=C(C(=O)CN4C(=O)c5ccccc5C4=O)C3C2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][N][N][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1][=O][=C][Ring2][Ring1][=C] |
N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccccc2)CC1 | [N][#C][C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][C][=Ring1][#Branch2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
COc1cncc(NC(=C[N+](=O)[O-])NC(C)C(C)(C)C)c1 | [C][O][C][=C][N][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][#Branch1][=C][N+1][=Branch1][C][=O][O-1][N][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1] |
Cc1nn(CCC(=O)NCc2ccc(OC(C)C)cc2)c(=O)c2nn(-c3ccccc3)c(C)c12 | [C][C][=N][N][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][P][Ring1][N] |
CCOc1ccccc1C(=O)Nc1ccccc1C(N)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CCCCCCC1CC(CSc2nc[nH]n2)OC1=O | [C][C][C][C][C][C][C][C][C][Branch1][#Branch2][C][S][C][N][=C][NH1][N][=Ring1][Branch1][O][C][Ring1][N][=O] |
CCCc1cc(C(C)=O)c(O)cc1OCCCCC(=O)O | [C][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][O][C][=C][Ring1][#Branch2][O][C][C][C][C][C][=Branch1][C][=O][O] |
CCNC=C1C=C(C=CC(=O)c2ccc(OC)cc2)c2c(ccc3c(C)cc(=O)oc23)C1=O | [C][C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Branch2][Ring1][Ring1][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][N][=Ring1][Branch2][C][Ring2][Ring1][N][=O] |
NC(C(=O)NO)C(=O)N1CCC(Cc2ccccc2)CC1 | [N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
COc1ccc(NC(=O)C2CC3C=CC2C3)c([N+](=O)[O-])c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring1] |
Cc1cc(=O)n2nc(COc3ccc(Cl)c(C)c3)sc2n1 | [C][C][=C][C][=Branch1][C][=O][N][N][=C][Branch1][P][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][S][C][Ring1][#C][=N][Ring2][Ring1][Ring2] |
Cc1ccc(C(=O)C2CCN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
CCCc1cc2ccccc2nc1-c1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 | [C][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][=C][N][Branch2][Branch1][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][N][=N][Ring2][Ring1][S] |
CCN(CC)CCOc1cc(Nc2cc(C)n[nH]2)nc(NCc2cc(C)no2)n1 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][Branch1][N][N][C][=C][C][Branch1][C][C][=N][NH1][Ring1][=Branch1][=N][C][Branch1][=N][N][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] |
CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(N)cccn12 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][Branch1][C][N][=C][C][=C][N][Ring1][P][Ring1][#Branch1] |
CN1CCC23CCCCC2C1Cc1ccc(C(N)=O)cc13 | [C][N][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][Ring1][P] |
Nc1ccccc1NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3cccs3)ncnc12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][N][=C][N][=C][Ring2][Ring1][#Branch1][Ring1][=N] |
COc1ccc(-c2nc(CSCC(=O)N3CCC(C(N)=O)CC3)c(C)o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=N][C][Branch2][Ring1][#Branch1][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=C][Branch1][C][C][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][O][C] |
CC(C)CC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)O | [C][C][Branch1][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
CC(C)CNC(=O)c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] |
COC1=CC(=O)C=C(CC2(C)CCC3(C)C(C)=CCCC3C2C)C1=O | [C][O][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch2][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][Branch1][C][C][=C][C][C][C][Ring1][Branch2][C][Ring1][=N][C][C][Ring2][Ring1][=Branch1][=O] |
CC(Oc1ccccc1F)c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1 | [C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][N][=C][Branch2][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][O][Ring2][Ring1][=Branch1] |
CCOC(=O)c1cnn2c(=O)[nH]c(=S)[nH]c12 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=S][NH1][C][=Ring1][O][Ring1][Branch2] |
O=C(C=CNc1ccc(F)cc1F)c1ccco1 | [O][=C][Branch1][S][C][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][O][Ring1][Branch1] |
Brc1ccc(C2C=CC3CCCN4CCC2C3C42CO2)cc1 | [Br][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=C][C][C][C][C][N][C][C][C][Ring1][O][C][Ring1][=Branch2][C][Ring1][=Branch1][C][O][Ring1][Ring1][C][=C][Ring2][Ring1][Branch1] |
Cn1c(SCc2ccc(C(=O)Nc3nccs3)cc2)nnc1-c1ccccc1 | [C][N][C][Branch2][Ring1][=Branch2][S][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][=N][N][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1cc(Cl)ncc1C(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc3c(c1)OCO3)CC2 | [C][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][N][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] |
COc1cc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O][O][C] |
N#CCCN(CCC#N)c1ccc(C=C2N=C(CN3C(=O)c4ccccc4C3=O)OC2=O)cc1 | [N][#C][C][C][N][Branch1][Branch1][C][C][C][#N][C][=C][C][=C][Branch2][Ring1][#C][C][=C][N][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][O][C][Ring1][P][=O][C][=C][Ring2][Ring1][=Branch2] |
C=CCNC(=O)c1ccccc1[S+]([O-])c1ccccc1C#N | [C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N] |
O=C1NCCc2c(-c3cccs3)[nH]c3cccc1c23 | [O][=C][N][C][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][C][=C][C][=C][C][Ring1][P][=C][Ring1][=C][Ring1][=Branch1] |
CC(=O)c1ccc(NC(=O)c2cnn3c2NC(=C2CC2)C=C3C(F)F)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][N][C][=Branch1][=Branch1][=C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][C][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch2] |
CCN(CC)CCCNC(=O)C1c2ccccc2C(=O)N1Cc1ccc(C)cc1 | [C][C][N][Branch1][Ring1][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
Clc1ccc(CN2CCC(c3ccccc3)CC2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
CCCCOC(=O)c1ccccc1 | [C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CSc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(C2CC2)cc1 | [C][S][C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][Branch1][C][C][C][=Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2] |
CC(N1CCn2nc(-c3cncc(C#N)c3)nc2C1)C(O)(Cn1cncn1)c1ccc(F)cc1F | [C][C][Branch2][Ring1][N][N][C][C][N][N][=C][Branch1][=N][C][=C][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][=C][Ring1][=N][C][Ring1][P][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
COc1cccc2c1CCCC2CCCNCC(=O)NC1CCCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][C][C][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] |
O=C(NCc1cccc(Cl)c1)c1cccn1-c1nnc(N2CCCC2)s1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][N][Ring1][Branch1][C][=N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2] |
CCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=N][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] |
CC(CCC(=O)O)C1CCC2C3C(O)C(Cc4ccccc4)C4CC(O)CCC4(C)C3CCC12C | [C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Branch1][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring2][Ring1][Ring2][C][C][C][Ring2][Ring1][O][Ring2][Ring1][Branch2][C] |
CCCCC(=O)N(CC=Cc1ccccc1OC)CCN1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 | [C][C][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1] |
CN(C)c1ncnc2[nH]ncc12 | [C][N][Branch1][C][C][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1] |
COCCn1c(C)cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c1C | [C][O][C][C][N][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][=C][Ring2][Ring1][Ring2][C] |
O=C(ON=C1CCCCC1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(F)cccc1F | [O][=C][Branch2][Ring1][#C][O][N][=C][C][C][C][C][C][Ring1][=Branch1][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][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] |
CCOC(C)=C1C(=O)Nc2ccccc21 | [C][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC | [C][O][C][=C][C][=N][C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][C][Ring2][Ring1][Ring2][=N][C][Branch1][C][N][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][#C][O][C] |
CCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 | [C][C][C][=C][C][=C][C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][=C][Ring2][Ring1][Branch1] |
Cc1ccc(NC(=O)C2CN(C)CC2c2ccc(C=CC(=O)Nc3ccccc3N)cc2)cn1 | [C][C][=C][C][=C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][P][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring2][Ring1][C][C][=N][Ring2][Ring1][P] |
O=C(O)CC1CCC(NC(=O)Cc2ccccc2)B(O)O1 | [O][=C][Branch1][C][O][C][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][B][Branch1][C][O][O][Ring1][P] |
COc1cccc(CNS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][C][C][C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch2] |
CCOc1ccc(N(C)c2nc(N)nc3[nH]c4ccccc4c23)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] |
Cc1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][C][Branch1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] |
CC1CCCN(c2nc(O)c(-c3nc4ccccc4s3)c(NC3CCCNC3)n2)C1 | [C][C][C][C][C][N][Branch2][Ring2][#Branch1][C][=N][C][Branch1][C][O][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Branch1][#Branch2][N][C][C][C][C][N][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][=N] |
Cc1nc(-c2ccccc2)sc1-c1nc(-c2ccncc2)ncc1S(=O)(=O)c1ccccc1 | [C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1ccccc1NC(=O)OCCCN1CCCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CCCCc1oc(C)cc(=O)c1O | [C][C][C][C][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O] |
OC(COC1CCOCC1)CN1CCc2ccccc2C1 | [O][C][Branch1][O][C][O][C][C][C][O][C][C][Ring1][=Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] |
CC(C)c1ccc2[nH]c3c(c(=O)c2c1)CCCC3 | [C][C][Branch1][C][C][C][=C][C][=C][NH1][C][=C][Branch1][O][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][C][Ring1][#Branch2] |
N=C(O)n1cc(N=C(O)N2CC(F)(CN)CC2C(O)=NC(CF)c2cccc(Br)c2)c2ccccc21 | [N][=C][Branch1][C][O][N][C][=C][Branch2][Ring2][=Branch2][N][=C][Branch1][C][O][N][C][C][Branch1][C][F][Branch1][Ring1][C][N][C][C][Ring1][Branch2][C][Branch1][C][O][=N][C][Branch1][Ring1][C][F][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][P] |
CC1CCCC(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)C1C | [C][C][C][C][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][Ring2][Ring1][N][C] |
COc1cc(-c2cc(F)cc(Cl)c2)ccc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3cccnn3)ccc21 | [C][O][C][=C][C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=N][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Branch1] |
CSc1ccccc1C(=O)C1CCCN(C(=O)c2csnn2)C1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][Ring1][=N] |
CNC(=O)C1(c2cccc3c2N(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)Cc2ccc(C(F)(F)F)nc2N3)CCC1 | [C][N][C][=Branch1][C][=O][C][Branch2][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][Ring2][Ring1][=N][C][C][C][Ring2][Ring2][Branch1] |
Cc1cccc(C)c1NCCSCC1CCCN2CCCCC12 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][S][C][C][C][C][C][N][C][C][C][C][C][Ring1][#Branch2][Ring1][=Branch1] |
CCCCS(=O)(=O)n1cc(C2=CCNCC2)c2ccccc21 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] |
COC(=O)c1c(CCl)noc1C(=O)NCC1CCCO1 | [C][O][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][Cl][=N][O][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] |
Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2ccccn2)C1 | [C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][N][C][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][S] |
CC1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 | [C][C][C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][N][Ring2][Ring1][#Branch2][C][Ring2][Ring1][Branch2][=Ring2][Ring1][Ring2] |
Cc1ccc(C(=O)CC(=O)c2ccc(Cl)cc2)c(O)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring2][Ring1][Ring1] |
CN(Cc1ccccc1OC(F)(F)F)C(=O)C1CCCN(C(N)=O)C1 | [C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2] |
O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCOCC1 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] |
CCC1(CC)CC(CCNC(=O)c2ccccc2)OC1=O | [C][C][C][Branch1][Ring1][C][C][C][C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][C][=O] |
CC(C)C1CC(OO)NP(=O)(N(CCCl)CCCl)O1 | [C][C][Branch1][C][C][C][C][C][Branch1][Ring1][O][O][N][P][=Branch1][C][=O][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][O][Ring1][S] |
CC(C)=CCSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1 | [C][C][Branch1][C][C][=C][C][S][C][=N][N][=C][Branch2][Ring1][#Branch1][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][O][Ring1][P] |
CC(C)(O)C1CCC2(C)C1CC(O)C1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3CC(O)C21C | [C][C][Branch1][C][C][Branch1][C][O][C][C][C][C][Branch1][C][C][C][Ring1][=Branch1][C][C][Branch1][C][O][C][Branch1][C][C][C][Ring1][=Branch2][C][C][C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][C][Branch1][C][O][C][Ring1][#C][Ring2][Ring1][Ring2][C] |
CN(C)CCn1nc2c3c(c(NCCC=CCCN4CC4)ccc31)C(=O)c1ccncc1-2 | [C][N][Branch1][C][C][C][C][N][N][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][=N][N][C][C][C][=C][C][C][N][C][C][Ring1][Ring1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2] |
NC(COc1cncc(-c2ccc3c(c2)C(c2ncc[nH]2)C(=O)N3)c1)Cc1c[nH]c2ccccc12 | [N][C][Branch2][Ring2][#Branch2][C][O][C][=C][N][=C][C][Branch2][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][N][=C][Ring2][Ring1][Branch1][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CN(C)CCNC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O | [C][N][Branch1][C][C][C][C][N][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring2][Ring1][C][=O] |
O=S(=O)(CC1CCCO1)Nc1cc(Cl)ccc1-n1cccn1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=N][Ring1][Branch1] |
COC(=O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][Ring1][#Branch2][O][Ring2][Ring1][Branch1] |
COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CC2CCCO2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][C][O][C][=Branch1][C][=O][N][Ring1][=C][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N] |
O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1cccc(C(F)(F)F)c1 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2(c3ccc(I)cc3F)CC2)CC1 | [N][#C][C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][N][Ring1][#C][C][=Branch1][C][=O][C][Branch1][=N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][F][C][C][Ring1][O][C][C][Ring2][Ring2][C] |
CCCCNC1=C(C(=O)OCC)C(=NNC(=O)c2ccccc2O)CO1 | [C][C][C][C][N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=Branch1][S][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring2][Ring1][Branch1] |
C=C1CCC=C(C)CCC(C(=CCC(O)C(C)(C)O)COC(C)=O)C1C(=O)OC | [C][=C][C][C][C][=C][Branch1][C][C][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][#C][=C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][C][O][C][Branch1][C][C][=O][C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][O][C] |
CCOCCOC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)OCCOCC | [C][C][O][C][C][O][C][=Branch1][C][=O][C][C][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][C][C][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][O][C][C] |
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CNC)C3)cc21 | [C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=N][N][C][C][C][Branch1][Ring2][C][N][C][C][Ring1][Branch2][C][=C][Ring1][#C][Ring2][Ring1][#Branch1] |
O=C(c1ccccc1)c1[nH]c2[nH]c(=O)[nH]c(=O)c2c1-c1cc(Br)cc(Br)c1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH1][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=Ring1][O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2] |
O=C(NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1O | [O][=C][Branch2][Ring1][N][N][N][=C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
S=C1SCCCN1Cc1ccc(Cl)cc1 | [S][=C][S][C][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
c1ccc2cc(CCn3ccnc3)ccc2c1 | [C][=C][C][=C][C][=C][Branch1][#Branch2][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][Ring1][=N][=C][Ring1][P] |
CCCc1nc(NCCCOCC)c2nnn(Cc3ccccc3)c2n1 | [C][C][C][C][=N][C][Branch1][Branch2][N][C][C][C][O][C][C][=C][N][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][Ring2][Ring1][#Branch1] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.