SMILE
stringlengths 1
100
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stringlengths 3
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|---|---|
COc1ccccc1CC(=O)Nc1c(O)c2ccccc2oc1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O] |
Fc1ccc(C2(NCC3CCC(c4nnn5cnc6[nH]ccc6c45)CC3)CCC2)cc1 | [F][C][=C][C][=C][Branch2][Ring2][O][C][Branch2][Ring1][P][N][C][C][C][C][C][Branch2][Ring1][Ring1][C][N][=N][N][C][=N][C][NH1][C][=C][C][=Ring1][Branch1][C][=Ring1][N][Ring1][=Branch2][C][C][Ring2][Ring1][C][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
COc1ccc2[nH]c3c(c2c1)CCNC3c1ccccc1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C1c2ccccc2C(=O)c2c(NCCN3CCCCC3)nnc(NCCN3CCCCC3)c21 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][N][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][N][=N][C][Branch1][N][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2][Ring2][Ring1][P] |
CC1C(c2ccccc2)O[B-](F)(c2ccccc2)[NH+]1C | [C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][B-1][Branch1][C][F][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1+1][Ring2][Ring1][C][C] |
Nc1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1 | [N][C][=N][N][=C][Branch2][Ring1][=Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][S][Ring2][Ring1][C] |
NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1 | [N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][=C][Ring1][#C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CC(C)(C)Cc1c(Br)sc(N)c1C(=O)c1ccc(Cl)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][C][Br][S][C][Branch1][C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
Cn1c(=O)c2c(nc(N3CCN(C(=O)c4ccco4)CC3)n2CCSc2ncccn2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][#Branch2][N][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][N][Ring2][Ring1][C][C][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][P][=O] |
CC(=O)NC(CCC(N)=O)C(=O)NC(CC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)O | [C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][O] |
OCC1C=CC(Cn2cnc3c(O)ncnc32)C1 | [O][C][C][C][=C][C][Branch2][Ring1][C][C][N][C][=N][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring1][S] |
COc1ccccc1N(C)C1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][N][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch2] |
Cc1c(NC(=O)c2c(NC(=O)CNC3CC3)sc3c2CCCC3)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][N][C][C][C][Ring1][Ring1][S][C][=C][Ring1][=N][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][S][C] |
FC(F)(F)c1cccc(-c2n[nH]c3cnccc23)n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch1][=C][C][=N][NH1][C][=C][N][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring1][#C] |
CCCCCCNS(=O)(=O)c1ccc2nc(NC(=O)NCCO)[nH]c2c1 | [C][C][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][#Branch2][N][C][=Branch1][C][=O][N][C][C][O][NH1][C][Ring1][N][=C][Ring1][S] |
CC(=O)NNc1nc(C)c(C(C=Cc2ccc(NC(C)=O)cc2)=NNS(=O)(=O)c2ccc(C)cc2)s1 | [C][C][=Branch1][C][=O][N][N][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring2][Ring1][#C] |
CCN(CC)c1ccc2cc(C(=O)c3ccc(N4CCN(S(=O)(=O)c5ccc(Br)c(F)c5)CC4)cc3)oc2c1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Branch2][Ring2][P][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][C][Ring2][Ring1][=C][=C][Ring2][Ring2][C] |
COc1cccc2ccn(CC(=O)NCC(C)C)c12 | [C][O][C][=C][C][=C][C][C][=C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Ring1][P][=Ring1][=N] |
O=C(Nc1cccc2c1C(=O)C(=O)NC2=O)OCc1ccccc1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][Ring1][Branch2][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCOC(=O)C1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1nn(CCc2nc(-c3ccco3)cs2)c2nc(O)cc(C(F)(F)F)c12 | [C][C][=N][N][Branch2][Ring1][Ring1][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][S][Ring1][#Branch2][C][=N][C][Branch1][C][O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch2][Ring1][O] |
Cc1cc2cc[n+](C)c3c2c(n1)-c1ccccc1-3 | [C][C][=C][C][=C][C][=N+1][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][Ring2][=N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
COc1cc(C2=CCCCc3c2ccc(OC)c3[N+](=O)[O-])cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][C][C][C][=C][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C] |
CN1C2CCC1CC(OC(=O)c1ccc([N+](=O)[O-])cc1)C2 | [C][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring1] |
COc1cccc(OC)c1-c1ccc(CC(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCNC2)C(=O)O)cc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][Ring1][#C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=N] |
CCOc1c(-c2ccc3c(c2)OC(c2ccc(O)c(OC)c2)C(CO)O3)oc2cc(O)cc(O)c2c1=O | [C][C][O][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][S][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][Branch1][Ring1][C][O][O][Ring2][Ring1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring2][Ring1][P][=O] |
O=C(O)C1C2CCC(O2)C1C(=O)Nc1ccccc1Br | [O][=C][Branch1][C][O][C][C][C][C][C][Branch1][Ring2][O][Ring1][Branch1][C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] |
COc1ccc(C=CC(=O)c2cc(C(=O)C=Cc3ccc(OC)c(OC)c3)c(OC)cc2OC)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][=C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=C][Ring2][Ring2][C][O][C] |
CCN(CC)CCOc1cccc(-c2cc(N=c3cccc(N4CCCC4C)[nH]3)c3nccn3n2)c1 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][C][=C][Branch2][Ring1][Ring2][N][=C][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][C][NH1][Ring1][N][C][=N][C][=C][N][Ring1][Branch1][N][=Ring2][Ring1][=Branch1][=C][Ring2][Ring1][N] |
Cc1cccc(N2CCN(C(=O)c3cccc(N4CCCC4=O)c3)C(C)C2)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][C][Branch1][C][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O] |
ON=C(NCc1ccccc1F)c1cccnc1Oc1ccc(F)cc1 | [O][N][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CCCCCCCCCC[N+](C)(C)[O-] | [C][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][O-1] |
CC(C)(C)c1ccc(Cn2ccc(CCCCC(=O)NO)n2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][Branch1][O][C][C][C][C][C][=Branch1][C][=O][N][O][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring2] |
O=C(O)CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | [O][=C][Branch1][C][O][C][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1] |
CSc1cc(-c2ccc(Cl)cc2)oc(=S)c1Cl | [C][S][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=S][C][=Ring1][=C][Cl] |
CCC(C)C(NC(=O)C(C(C)C)C(O)C(O)C(CC1CCCCC1)NC(=O)c1ccccc1OCCOCCOCCOC)C(=O)NCc1nc2ccccc2[nH]1 | [C][C][C][Branch1][C][C][C][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][C][C][O][C][C][O][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CC(O)(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | [C][C][Branch1][C][O][Branch2][Ring1][#C][C][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N] |
CCOC(=O)c1[nH]cc(C)c1-c1ccn(-c2ccccc2)c1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O] |
O=S(=O)(c1cccc2nonc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][=C][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] |
O=C(O)c1ccccc1C(=O)OO | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][O] |
CCCc1c(OCCCCCCc2ccc(OCCCC(=O)O)cc2CCC(=O)O)ccc2c1OCCC2=O | [C][C][C][C][=C][Branch2][Ring2][C][O][C][C][C][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring2][Ring1][#C][O][C][C][C][Ring1][=Branch1][=O] |
COc1cccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(-c5ccccc5)nc4c3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][O][N][C][C][N][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C] |
CN(C)CCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1 | [C][N][Branch1][C][C][C][C][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)N1CCN(c2ccccc2)CC1 | [O][=C][Branch2][Ring1][=C][C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][Cl][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
C=CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccc(Cl)cc1 | [C][=C][C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=N][N][=C][Ring1][P][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
COc1cccc(CNC=C2C=C(C=O)c3c(ccc4c(C)cc(=O)oc34)C2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][N][C][=C][C][=C][Branch1][Ring1][C][=O][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][C][=O][=C][Ring2][Ring1][N] |
CN1CCN(c2ccc(Nc3nc4c(-c5nnc[nH]5)cccc4c4cnccc34)c(Cl)c2)CC1 | [C][N][C][C][N][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring1][S][N][C][=N][C][=C][Branch1][Branch2][C][=N][N][=C][NH1][Ring1][Branch1][C][=C][C][=C][Ring1][O][C][=C][N][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][O][C][C][Ring2][Ring1][P] |
Cn1cc(-c2cccc(CNC(=O)N3CCCC3CO)c2)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O][=C][Ring1][P][C][=N][Ring2][Ring1][=Branch1] |
O=C(c1ccccc1SCc1ccccc1)N1CCCCCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] |
CC(C)(C)OC(=O)NC(Cc1ccc(O)cn1)C(N)=O | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=N][Ring1][#Branch1][C][Branch1][C][N][=O] |
CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c(O)c2ccccc21 | [C][C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][=C][Ring1][=N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N] |
COc1ccccc1OC(C)C(=O)Nc1ccc2c(c1)OCCO2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] |
O=C(O)C=Cc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][Branch2][Ring1][=C][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P][=C][Ring2][Ring1][=Branch2] |
O=C1Nc2ccc(F)cc2C1=Nc1cccc(Cc2cccc(N=C3C(=O)Nc4ccc(F)cc43)c2)c1 | [O][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=N][C][=C][C][=C][C][Branch2][Ring2][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CCOC(=O)C=C(C)C(F)=CC=C(C)C=Cc1c(Cl)cc(OC)c(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][F][=C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][#Branch2][C] |
Cc1ccc(C)c(NC(=O)c2nc(C)c(C)nc2C(=O)NC(C)C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch2] |
CC12C=CC(=O)C=C1c1cccc(O)c1C(=O)O2 | [C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][P] |
Cc1cc(C(F)(F)F)nc(C2CCN(C(=O)CO)CC2)n1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][P][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] |
Cc1cccc(C)c1CNc1nccn2c(C)c(C)nc12 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][=N][C][=C][N][C][Branch1][C][C][=C][Branch1][C][C][N][=C][Ring1][O][Ring1][#Branch1] |
NC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC2 | [N][C][=Branch1][C][=O][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][S][C][=C][Ring1][#C][C][C][C][Ring1][Branch1] |
CC(=O)Nc1cc(C)c(-c2nnc3sc(=S)[nH]n23)s1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][S][C][=N][N][=C][S][C][=Branch1][C][=S][NH1][N][Ring1][=Branch2][Ring1][=Branch1][S][Ring1][#C] |
NC(Cc1cc(I)c(Oc2ccc(O)c(CO)c2)c(I)c1)C(=O)O | [N][C][Branch2][Ring2][Ring1][C][C][=C][C][Branch1][C][I][=C][Branch1][P][O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][C][O][=C][Ring1][=Branch2][C][Branch1][C][I][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O] |
O=C(O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] |
CCn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)cn1 | [C][C][N][C][=C][Branch2][Ring2][Ring2][C][N][C][C][C][Branch2][Ring1][#Branch1][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring2][Ring1][=Branch1][C][=N][Ring2][Ring1][N] |
COc1ccc2cc(C(=O)C=Cc3cc(OC)c(O)c(OC)c3)ccc2c1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][O][C][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] |
O=C(Nc1ncsc1-c1ccccc1)OC1CN2CCC1CC2 | [O][=C][Branch1][P][N][C][N][=C][S][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1] |
c1ccc(COc2ccc(Nc3ncnc4ccc(-c5cccc(N6CCOCC6)c5)cc34)cc2)cc1 | [C][=C][C][=C][Branch2][Branch1][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=N][C][=N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Branch1] |
CC(CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccc(Cl)cc1 | [C][C][Branch2][Ring1][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][S][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring1][Branch2][N] |
COCCCOCCCn1cc(CNC2C(O)C(O)C(O)C(O)C2O)nn1 | [C][O][C][C][C][O][C][C][C][N][C][=C][Branch2][Ring1][Branch2][C][N][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][N][=N][Ring2][Ring1][C] |
CCn1c2ccccc2c2cc(NC(=O)CNC)ccc21 | [C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Ring1][N][Ring2][Ring1][Ring1] |
COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1F | [C][O][C][=C][C][Branch2][Ring2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][N][Ring1][=N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][=C][F] |
Cc1cc(S(=O)(=O)Nc2nc3ccccc3c(=O)n2N)c(S)cc1Cl | [C][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N][=C][Branch1][C][S][C][=C][Ring2][Ring1][#Branch1][Cl] |
N#Cc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][S][Ring1][P][=C][Ring2][Ring1][#Branch1] |
CC1CC2OC(C)(C)OC2(CSC2CCOC2=O)C1(C)C | [C][C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][Branch1][O][C][S][C][C][C][O][C][Ring1][Branch1][=O][C][Ring2][Ring1][C][Branch1][C][C][C] |
COc1cc2c3c(c(=O)oc2c(C=O)c1O)CCC3 | [C][O][C][=C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][Branch1][Ring1][C][=O][=C][Ring1][=N][O][C][C][C][Ring1][=C] |
CNCCOc1cccc2c1CC(=O)N2 | [C][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
COc1ccc(C2OC(=O)NC2=O)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][N][C][O][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][Branch1][Ring1][O][C][=C][Ring1][#C] |
CC(Cc1nnc(O)c2c1CCCC2)c1ccc(F)c(-c2cccc(C(=O)N3CCCC3)c2)c1 | [C][C][Branch2][Ring1][Ring1][C][C][=N][N][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][=C][Ring2][Ring1][Ring2] |
CC1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)c2ccccc2O1 | [C][C][Branch2][Ring1][N][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][S][F][N][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][N] |
O=S(=O)(c1ccc(Br)cc1)c1cn(C2CCNC2)c2ncccc12 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][N][Branch1][Branch2][C][C][C][N][C][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] |
CC(C)(C)c1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2cccs2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Branch2] |
COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnc(C)cc3N3CCNCC3)cs1)C2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring2][Ring2][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][C][N][C][C][Ring1][=Branch1][=C][S][Ring2][Ring1][Branch1][C][Ring2][Ring1][N] |
Cc1ccccc1CC1(CO)CCCN(C(=O)c2ccccc2N(C)C)C1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Ring1][C][O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][Ring2][Ring1][Ring1] |
N=C(N)Nc1ccc([N+](=O)[O-])cn1 | [N][=C][Branch1][C][N][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2] |
N=C(O)CN1CCC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1 | [N][=C][Branch1][C][O][C][N][C][C][C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][S][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#C] |
O=S(=O)(Nc1ncccn1)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] |
COc1ccccc1C=C1CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][C][Branch1][Ring1][C][O][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][O][C][Ring2][Ring1][Ring1][=O] |
CS(=O)(=O)N1CCC(CN(c2nc3cc(F)c(F)cc3[nH]2)C2CCC3(c4cccc(C#N)c4)CC3C2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][NH1][Ring1][O][C][C][C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][Ring1][O][C][Ring1][#C][C][C][Ring2][Ring2][C] |
CN1CCN(CCN=C(O)c2cc(NC(=O)c3cc(-c4ccccn4)c(F)cc3Cl)n(-c3ccccc3)n2)CC1 | [C][N][C][C][N][Branch2][Branch1][Branch2][C][C][N][=C][Branch1][C][O][C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring1][=N][Cl][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][N][C][C][Ring2][Ring2][#Branch1] |
CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(CNC(=O)CC(C)C)c3)s2)nn1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][C][=N][N][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=N][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Ring1][=C][S][Ring2][Ring1][#Branch1][N][=N][Ring2][Ring1][P] |
CCCN(CC=CC(C)=CC(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C | [C][C][C][N][Branch1][=C][C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][Branch1][C][C][C] |
Cn1nc(-c2ccc(Cl)cc2)sc1=Nc1ccccc1 | [C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][Ring1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=S1(=O)N=C(NC2CCC2)Nc2cc(Cl)c(F)cc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring2][Ring1][C] |
CC(=O)OCC(=O)C1(OC(C)=O)CCC2C3CCC4CC(OC(C)=O)CCC4(C)C3CCC21C | [C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C][C][C][C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C][Ring1][#Branch2][Branch1][C][C][C][Ring1][#C][C][C][C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch2][C] |
O=C(NC(=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1)c1cccs1 | [O][=C][Branch2][Ring1][P][N][C][=Branch1][P][=C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] |
Cc1cc(=O)oc2cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1][Ring1][S] |
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
Nc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(C3CCC3)n2)cc1C1CC1 | [N][C][=N][C][=C][Branch2][Ring2][=Branch1][C][C][=C][Branch2][Ring1][Ring1][C][C][C][N][Branch1][#Branch1][C][C][O][C][Ring1][Ring2][C][C][Ring1][=Branch2][Ring1][#Branch2][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][C][C][Ring1][Ring1] |
CN(C)CCCn1c(=O)c2sc3cc(C(=O)Nc4ccccc4)ccc3c2c2ccccc21 | [C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][C][=Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][O] |
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