ID
large_stringlengths
1
7
smiles
stringlengths
15
57
selfies
stringlengths
55
294
safe
stringlengths
15
83
1934168
CCOC(=O)N1CCC(NC(=O)CCc2ccnn2C)CC1
[C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=N][N][Ring1][Branch1][C][C][C][Ring1][P]
N14CCC7CC1.c18ccnn1C.C5(=O)CC8.C34=O.CC6.O36.N57
1934169
Cc1nc2ccc(C(=O)NCc3cn4c(n3)SCC4)cc2nc1C
[C][C][=N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][S][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][N][=C][Ring2][Ring1][=Branch1][C]
Cc1nc2ccc7cc2nc1C.c18cn2c(n1)SCC2.C57=O.N56.C68
1934170
CCc1c(C(=O)NCc2cccs2)cnn1Cc1ccccc1
[C][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=N][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
c17c5cnn16.c19ccccc1.c18cccs1.C35=O.CC7.N34.C48.C69
1934171
CCc1ocnc1C(=O)N1CCC2(C=Cc3ccccc32)CC1
[C][C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring1][=C]
N14CCC2(C=Cc3ccccc32)CC1.c16ocnc15.C45=O.CC6
1934172
COc1ccc2[nH]cc(CC(=O)N(C)Cc3cccc(F)c3)c2c1
[C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]
c15ccc2[nH]cc7c2c1.c18cccc(F)c1.C7C4=O.N46C.CO5.C68
1934173
CCc1c(C(=O)N(C)Cc2cccs2)cnn1Cc1ccccc1
[C][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1][C][=N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
c17c5cnn16.c19ccccc1.c18cccs1.C35=O.N34C.CC7.C48.C69
1934174
COc1ccc2[nH]cc(CC(=O)N(C)Cc3ccc(C)cc3)c2c1
[C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]
c15ccc2[nH]cc7c2c1.c18ccc(C)cc1.C7C4=O.N46C.CO5.C68
1934175
CC(=O)c1cc(CC(=O)N2Cc3cnc(CC(C)C)nc3C2)cs1
[C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][#Branch2][C][Ring1][=N][=C][S][Ring2][Ring1][Branch1]
N14Cc2cnc6nc2C1.c15cc7cs1.C7C4=O.C6C(C)C.CC5=O
1934176
COc1ccc2[nH]cc(CC(=O)NC(C)c3ccccc3OC)c2c1
[C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1]
c15ccc2[nH]cc8c2c1.c19ccccc16.C8C4=O.C79C.CO5.N47.O6C
1934177
Cc1cc(CNC(=O)c2cc(S(N)(=O)=O)ccc2C)n(C)n1
[C][C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][C][N][Branch1][C][C][N][=Ring2][Ring1][Branch1]
c15cc(S(N)(=O)=O)ccc1C.Cc1cc6n(C)n1.C35=O.C46.N34
1934178
CN(Cc1noc2c1CCCC2)Cc1cccc2nonc12
[C][N][Branch1][#C][C][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1]
c15noc2c1CCCC2.c16cccc2nonc12.CN34.C35.C46
1934179
CCN(Cc1ccc(C)o1)C(=O)c1cc(C(F)(F)F)n[nH]1
[C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][NH1][Ring1][=Branch2]
c16ccc(C)o1.c15cc7n[nH]1.C7(F)(F)F.N234.C25=O.CC3.C46
1934181
CN1Cc2ccccc2CC1C(=O)NCCc1nc2ccccc2[nH]1
[C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
CN1Cc2ccccc2CC15.c16nc2ccccc2[nH]1.C35=O.C4C6.N34
1934182
CCC(NC(=O)Cc1c[nH]c2ccc(OC)cc12)c1ccc(C)cc1
[C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][Ring1][Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
c17c[nH]c2ccc4cc12.c16ccc(C)cc1.CCC56.C3(=O)C7.N35.O4C
1934183
O=C(NCCO)C1(c2cccc(Cl)c2)CCCC1
[O][=C][Branch1][Branch1][N][C][C][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][Ring1][N]
c16cccc(Cl)c1.C156CCCC1.O=C35.C4CO.N34
1934184
CCc1c(C(=O)NCC(=O)NC2CC2)cnn1Cc1ccccc1
[C][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
c19c7cnn18.c1%10ccccc1.C5C4=O.C37=O.C16CC1.CC9.N35.N46.C8%10
1934185
COc1ccc2[nH]cc(CC(=O)NCc3ccc(F)c(C)c3)c2c1
[C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]
c15ccc2[nH]cc7c2c1.c18ccc(F)c(C)c1.C7C4=O.CO5.N46.C68
1934186
CCc1c(C(=O)N2CCOC(C)C2)cnn1Cc1ccccc1
[C][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][C][Ring1][#Branch1][C][=N][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
c16c4cnn15.N13CCOC(C)C1.c17ccccc1.C34=O.CC6.C57
1934187
CCc1c(C(=O)NCC(=O)N2CCCC2)cnn1Cc1ccccc1
[C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][N][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
c18c6cnn17.c19ccccc1.N14CCCC1.C5C4=O.C36=O.CC8.N35.C79
1934188
COc1ccc2[nH]cc(CC(=O)N3CCCC3C(=O)NC3CC3)c2c1
[C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1]
c16ccc2[nH]cc9c2c1.N14CCCC18.C9C4=O.C58=O.C17CC1.CO6.N57
1934189
Cc1ccc(-n2cc(C(=O)N(C)C(C)c3ccco3)nn2)cc1
[C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][N][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1]
Cc1ccc8cc1.n18cc6nn1.c17ccco1.C46=O.N45C.C57C
1934191
CC(O)CNC(=O)C1(c2cccc(Cl)c2)CCCC1
[C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][Ring1][N]
c16cccc(Cl)c1.C156CCCC1.CC(O)C4.C35=O.N34
1934192
CC(CO)NC(=O)C1(c2cccc(Cl)c2)CCCC1
[C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][Ring1][N]
c16cccc(Cl)c1.C156CCCC1.CC4CO.C35=O.N34
1934193
CCc1c(C(=O)N2CCOC(C)(C)C2)cnn1Cc1ccccc1
[C][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][=N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
N13CCOC(C)(C)C1.c16c4cnn15.c17ccccc1.C34=O.CC6.C57
1934194
CCc1c(C(=O)NCc2ccsc2)cnn1Cc1ccccc1
[C][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=Ring1][Branch1][C][=N][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
c17c5cnn16.c19ccccc1.c18ccsc1.C35=O.CC7.N34.C48.C69
1934195
O=C(NCc1ccsc1)c1cnc2ccccc2c1C(F)(F)F
[O][=C][Branch1][#Branch2][N][C][C][C][=C][S][C][=Ring1][Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]
c15cnc2ccccc2c17.c16ccsc1.C7(F)(F)F.O=C35.N34.C46
1934196
COCc1ccc(C(=O)NCc2ccsc2)o1
[C][O][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=Ring1][Branch1][O][Ring1][=C]
c17ccc6o1.c18ccsc1.C36=O.CO4.C47.N35.C58
1934197
COCc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)o1
[C][O][C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][#C][O][Ring2][Ring1][=Branch1]
N14CCN5CC1.c18ccc(C)cc1.c19ccc7o1.C47=O.C58=O.CO6.C69
1934198
COc1ccc(OC)c(CC(=O)NCc2cccc(NC(C)=O)c2)c1
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1]
c15ccc6c9c1.c1%10cccc8c1.C9C3=O.C4(C)=O.CO5.O6C.N37.C7%10.N48
1934199
CC(=O)c1cc(C(=O)NCCNC(=O)c2cccnc2)n(C)c1
[C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring2][Ring1][Ring2]
c18cc7n(C)c1.c19cccnc1.CC8=O.C37=O.C5C6.C49=O.N35.N46
1934200
Cc1ccc(-n2cc(C(=O)NC3CCCc4occc43)nn2)cc1
[C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][N][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1]
N5C1CCCc2occc21.Cc1ccc7cc1.n17cc6nn1.C56=O
1934201
CCc1c(C(=O)NCc2ccnn2C)cnn1Cc1ccccc1
[C][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][C][=N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
c17c5cnn16.c18ccnn1C.c19ccccc1.C35=O.CC7.N34.C48.C69
1934202
CCc1c(C(=O)N(C)Cc2cc(C)on2)cnn1Cc1ccccc1
[C][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=N][N][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
c17c5cnn16.c18cc(C)on1.c19ccccc1.C35=O.N34C.CC7.C48.C69
1934203
CCc1c(C(=O)NCC(O)c2ccco2)cnn1Cc1ccccc1
[C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][C][=N][N][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
c17c5cnn16.c19ccccc1.c18ccco1.C4C8O.C35=O.CC7.N34.C69
1934204
CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(COC)o2)CC1
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][C][O][C][O][Ring1][Branch2][C][C][Ring1][P]
N15CCC6CC1.CCCS5(=O)=O.c17ccc8o1.C37=O.N36.C48.O4C
1934205
CCc1cc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)[nH]n1
[C][C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][N][NH1][N][=Ring2][Ring1][Branch1]
c19ccc5nc1.c18cc7[nH]n1.C4C(F)(F)F.C37=O.CC8.N36.C69.O45
1934207
Cc1cccc(C(NC(=O)CCN2CCCCC2=O)C2CC2)n1
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][Branch1][P][N][C][=Branch1][C][=O][C][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][=Branch1]
Cc1cccc6n1.N15CCCCC1=O.C3(=O)CC5.C467.C17CC1.N34
1934208
COCCc1noc(CN(C)C(=O)C2CCOc3ccccc3C2)n1
[C][O][C][C][C][=N][O][C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][Ring2][Ring1][Branch1]
C17CCOc2ccccc2C1.c18noc9n1.C5C8.N46C.C47=O.CO5.C69
1934210
Cc1nn(C)cc1C(=O)N(C)C(C)c1cc(-c2ccccc2)[nH]n1
[C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O]
Cc1nn(C)cc15.c16cc7[nH]n1.c17ccccc1.C35=O.N34C.C46C
1934213
O=C(NCCC1CCCC1)Nc1nc(-c2cccnc2)cs1
[O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][Branch1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O]
c16nc8cs1.c18cccnc1.C17CCCC1.O=C34.C5C7.N35.N46
1934214
CNc1ncc(C(=O)N(Cc2cccc(O)c2)C2CC2)cn1
[C][N][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=N][Ring2][Ring1][Ring2]
c15ncc7cn1.c18cccc(O)c1.C37=O.N346.C16CC1.CN5.C48
1934215
Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2cnn(C)c2)CC1
[C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring1][#C]
Cc1ccc(Cl)cc15.N15CCN3CC1.c16cnn(C)c1.C34=O.N46
1934216
Cn1cc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cn1
[C][N][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch1]
N15CCN6CC1.c18ccc(F)cc1.Cn1cc7cn1.C45=O.C68=O.N47
1934217
COc1cccc(C(=O)NCCNC(=O)Nc2cnn(C)c2)c1
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring2][Ring1][Branch1]
c16cccc%10c1.c19cnn(C)c1.C3%10=O.C7C8.C45=O.CO6.N37.N48.N59
1934218
Cn1cc(NC(=O)NCCCOCC2CC2)cn1
[C][N][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][C][Ring1][Ring1][C][=N][Ring1][P]
Cn1cc8cn1.C7CC5.C34=O.C19CC1.N38.N47.O56.C69
1934219
CCOc1cc2c(cc1CNC(=O)Nc1cnn(C)c1)OC(C)C2
[C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][O][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
c16cc2c(cc19)OC(C)C2.c18cnn(C)c1.C34=O.CC5.O56.C79.N37.N48
1934220
Cc1nc2ccccc2n1CCNC(=O)Nc1cccc(C(N)=O)c1
[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2]
Cc1nc2ccccc2n18.c16cccc7c1.C8C5.C34=O.C7(N)=O.N35.N46
1934222
COCC1CCCN1C(=O)c1cc(-c2ccc(C)o2)n[nH]1
[C][O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][NH1][Ring1][O]
C16CCCN13.c15cc7n[nH]1.c17ccc(C)o1.C35=O.CO4.C46
1934223
COc1ccc2c(c1)c(C(=O)N1CC(O)C1)c(C)n2C
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][Ring1][Branch1][=C][Branch1][C][C][N][Ring1][=C][C]
c14ccc2c(c1)c5c(C)n2C.N13CC(O)C1.C35=O.CO4
1934224
COC(=O)CN(C(=O)c1nc(-c2ccco2)sc1C)C(C)C
[C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][S][C][=Ring1][#Branch2][C][C][Branch1][C][C][C]
c17nc8sc1C.c18ccco1.C3(=O)C5.N456.C47=O.C6(C)C.CO3
1934226
COC(=O)c1cccc(COC(=O)c2ccn(-c3ccccc3)n2)c1
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][=C][Ring2][Ring1][Branch1]
c18cccc9c1.c17ccn%10n1.c1%10ccccc1.C48=O.C57=O.CO4.C69.O56
1934227
N#Cc1ccc(F)c(COC(=O)c2ccn(-c3ccccc3F)n2)c1
[N][#C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=Ring1][N][=C][Ring2][Ring1][#Branch1]
N#Cc1ccc(F)c7c1.c18ccccc1F.c16ccn8n1.C46=O.C57.O45
1934228
CCc1ccc(CNC(=O)c2cc(C)n(-c3cc(C)on3)c2C)s1
[C][C][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=Ring1][N][C][S][Ring2][Ring1][=Branch1]
c16cc(C)n9c1C.c17ccc8s1.c19cc(C)on1.C46=O.CC7.C58.N45
1934229
CCOc1cc(CNC(=O)CNC(=O)c2cccc(F)c2)ccn1
[C][C][O][C][=C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][C][=N][Ring2][Ring1][Branch1]
c16cc%10ccn1.c19cccc(F)c1.C3(=O)C8.C49=O.CC5.O56.C7%10.N37.N48
1934230
CCOc1cc(CNC(=O)Cn2c(C)csc2=O)ccn1
[C][C][O][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=O][=C][C][=N][Ring2][Ring1][C]
c15cc8ccn1.n17c(C)csc1=O.C3(=O)C7.CC4.O45.C68.N36
1934231
CCc1cc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)[nH]n1
[C][C][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][NH1][N][=Ring2][Ring1][#Branch1]
C16CCN5CC1.c18ccccc1F.c19cc7[nH]n1.C47=O.C58=O.CC9.N46
1934232
COc1ccc(C(=O)NCc2ccc3c(c2)CCC3)cc1F
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][F]
c18ccc2c(c1)CCC2.c15ccc7cc1F.C47=O.CO5.N46.C68
1934233
CSc1ccc(C(=O)NCc2ccc3c(c2)CCC3)cc1
[C][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
c17ccc2c(c1)CCC2.c18ccc6cc1.C46=O.CS8.N45.C57
1934234
CC(Oc1cccc(F)c1)C(=O)NCc1ccc2c(c1)CCC2
[C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1]
c17ccc2c(c1)CCC2.c15cccc(F)c1.CC4C3=O.O45.N36.C67
1934235
Cc1ccc(-n2cc(C(=O)NCc3ccc4c(c3)CCC4)nn2)cc1
[C][C][=C][C][=C][Branch2][Ring1][P][N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
c18ccc2c(c1)CCC2.Cc1ccc9cc1.n19cc7nn1.C57=O.N56.C68
1934236
O=C(CCOCC1CCCO1)NCC(=O)N1CCCC1
[O][=C][Branch1][N][C][C][O][C][C][C][C][C][O][Ring1][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]
O=C2CC4.C17CCCO1.N13CCCC1.C6C3=O.O45.C57.N26
1934237
N#Cc1ccccc1N1CCCN(C(=O)C2CC2(Cl)Cl)CC1
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][C][Ring1][=C]
N#Cc1ccccc14.N14CCCN3CC1.C15CC1(Cl)Cl.C35=O
1934238
CCCCCNC(=O)C1CCN(C(=O)c2cc(CC)n[nH]2)CC1
[C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][C][=N][NH1][Ring1][#Branch1][C][C][Ring1][#C]
C17CCN4CC1.c16cc8n[nH]1.CCCCC5.C37=O.C46=O.N35.C8C
1934240
COCc1ccc(C(=O)NCc2ccc3c(c2)CCC3)o1
[C][O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][C]
c19ccc2c(c1)CCC2.c18ccc7o1.C47=O.CO5.C58.N46.C69
1934242
O=C(Nc1ccc(Cl)c2ncccc12)N1CC2C3CCC(O3)C2C1
[O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][C][C][C][C][C][C][Branch1][Ring2][O][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][#Branch2]
c16ccc(Cl)c2ncccc12.N15CC2C3CCC(O3)C2C1.O=C45.N46
1934243
CCN(Cc1cccs1)C(=O)COCC1CC1
[C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][C][C][C][Ring1][Ring1]
c17cccs1.C2(=O)C3.N256.C18CC1.CC5.C67.O34.C48
1934244
Cc1ccc2[nH]nc(C(=O)N3CCN(Cc4cc(C)no4)CC3)c2c1
[C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][Ring1][=N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]
Cc1ccc2[nH]nc7c2c1.N15CCN6CC1.c18cc(C)no1.C57=O.C68
1934245
Cc1ccc(-c2nc(NC(=O)COCC(F)(F)F)sc2C)cc1
[C][C][=C][C][=C][Branch2][Ring1][O][C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][F][Branch1][C][F][F][S][C][=Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1]
Cc1ccc7cc1.c17nc6sc1C.C5C(F)(F)F.C3(=O)C4.N36.O45
1934246
Cc1ccn2c(=O)c(C(=O)NCCc3c(C)nn(C)c3C)cnc2c1
[C][C][C][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][N][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][Branch2]
Cc1ccn2c(=O)c6cnc2c1.c17c(C)nn(C)c1C.C46=O.C5C7.N45
1934247
CSc1ccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1
[C][S][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1]
c18ccc6cc1.N14CCN5CC1.c17c(C)noc1C.C46=O.CS8.C57
1934248
Cc1ccc2[nH]nc(C(=O)NCc3nncn3-c3ccccc3)c2c1
[C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]
Cc1ccc2[nH]nc6c2c1.c17nncn18.c18ccccc1.C46=O.N45.C57
1934249
N#CC1(NC(=O)CCOCC2CCCO2)CCCC1
[N][#C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][O][C][C][C][C][C][O][Ring1][Branch1][C][C][C][C][Ring1][P]
N#CC16CCCC1.C3(=O)CC4.C17CCCO1.N36.O45.C57
1934250
Cn1cc(C(=O)Nc2ccc(N3CCCCC3)cn2)cn1
[C][N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][N][C][=N][Ring2][Ring1][Ring2]
c15ccc6cn1.Cn1cc7cn1.N16CCCCC1.C47=O.N45
1934251
Cc1cc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)c(C)o1
[C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=C][Ring1][#Branch2][=C][Branch1][C][C][O][Ring2][Ring1][Ring1]
c14ccc(S(C)(=O)=O)nc1.Cc1cc5c(C)o1.C35=O.N34
1934252
Cc1cc(C)c(C)c(OCC(=O)N2CCCC(C(N)=O)C2)c1
[C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][=C][Ring2][Ring1][Branch1]
Cc1cc5c(C)c(C)c1.N13CCCC6C1.C4C3=O.C6(N)=O.O45
1934253
NC(=O)C1CCCN(C(=O)COc2ccc(F)c(F)c2)C1
[N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring2][Ring1][C]
c15ccc(F)c(F)c1.C16CCCN3C1.C3(=O)C4.NC6=O.O45
1934254
Cc1cc(OCC(=O)N2CCCC(C(N)=O)C2)cc(C)c1Cl
[C][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Cl]
Cc1cc5cc(C)c1Cl.N13CCCC6C1.C4C3=O.C6(N)=O.O45
1934255
OCc1ccccc1OCc1coc(-c2cccc(F)c2)n1
[O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][N]
c16ccccc14.c17cccc(F)c1.c15coc7n1.OC6.O34.C35
1934256
CC(C)(C)c1nc(COc2ccccc2CO)no1
[C][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][=N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=N][O][Ring1][#C]
c14ccccc17.c15nc6no1.CC5(C)C.C36.O34.C7O
1934257
NC(=O)C1CCCN(C(=O)COc2ccccc2CO)C1
[N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Ring2][Ring1][C]
C16CCCN3C1.c15ccccc17.C3(=O)C4.NC6=O.O45.C7O
1934258
OCc1ccccc1OCc1coc(-c2ccccc2)n1
[O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O]
c16ccccc14.c15coc7n1.c17ccccc1.OC6.O34.C35
1934259
COC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2CO)c1C
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][P][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=C][Ring2][Ring1][C][C]
c17c(C)[nH]c6c1C.c15ccccc18.C6(=O)C4.C37=O.CO3.O45.C8O
1934260
O=C(COc1ccccc1CO)NCc1cccs1
[O][=C][Branch1][=N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][N][C][C][=C][C][=C][S][Ring1][Branch1]
c14ccccc17.c16cccs1.O=C2C3.O34.C7O.N25.C56
1934261
CC1CCN(C(=O)COc2ccccc2CO)CC1
[C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][Ring2][Ring1][C]
CC1CCN3CC1.c15ccccc16.C3(=O)C4.O45.C6O
1934262
CNC(=O)c1cccc(OCCCc2ccccc2)c1
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S]
c16cccc5c1.c17ccccc1.C4CC7.C36=O.CN3.O45
1934263
CN(C)C(=O)c1ccc(OCCOc2cccc(F)c2)cc1
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][P]
c18ccc6cc1.c17cccc(F)c1.CN3C.C38=O.C4C5.O46.O57
1934264
CN(C)C(=O)c1ccc(OCc2noc(C(C)(C)C)n2)cc1
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2][C][=C][Ring1][P]
c16ccc5cc1.c17noc8n1.C8(C)(C)C.CN3C.C36=O.O45.C47
1934266
NC(=O)C1(NC(=O)CC23CC4CC(CC(C4)C2)C3)CCCCC1
[N][C][=Branch1][C][=O][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Ring2][Ring1][Ring2]
C128CC3CC(CC(C3)C1)C2.C167CCCCC1.C5(=O)C8.NC7=O.N56
1934268
Cc1nnc(CSc2nnnn2-c2ccccc2)n1C
[C][C][=N][N][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C]
Cc1nnc4n1C.c16nnnn15.c15ccccc1.C34.S36
1934270
CCc1cc(C(=O)NCC(C)n2nc(C)cc2C)cc(=O)[nH]1
[C][C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring2]
c17cc5cc(=O)[nH]1.n16nc(C)cc1C.C4C6C.C35=O.CC7.N34
1934271
Cc1nc2cc(C(=O)NCC3COc4ccccc4C3)ccc2[nH]1
[C][C][=N][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1]
Cc1nc2cc7ccc2[nH]1.C18COc2ccccc2C1.C57=O.N56.C68
1934272
CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)Cn1cccnc1=O
[C][N][Branch2][Ring1][C][C][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O]
n15cccnc1=O.c16cc7n[nH]1.c17cccs1.C3(=O)C5.CN34.C46
1934273
Cc1nc(C)c(CC(=O)N(C)Cc2ccc3nonc3c2)s1
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][S][Ring2][Ring1][Branch1]
c17ccc2nonc2c1.Cc1nc(C)c6s1.C6C4=O.N45C.C57
1934274
CC(C)Cc1cc(C(=O)N(C)Cc2cccnc2)[nH]n1
[C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][N][=Ring1][S]
c16cc5[nH]n1.c17cccnc1.CC(C)C6.C35=O.N34C.C47
1934275
CN(Cc1cccnc1)C(=O)c1cc(C(C)(C)C)n[nH]1
[C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][Ring1][=Branch2]
c16cccnc1.c14cc5n[nH]1.C5(C)(C)C.CN23.C24=O.C36
1934276
Cc1nn(C)c(C)c1-c1cc(C(=O)NCCOc2ccccc2)[nH]n1
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][P]
Cc1nn(C)c(C)c18.c18cc7[nH]n1.c15ccccc1.C37=O.C6C4.N36.O45
1934277
Cc1nn(C)c(C)c1-c1cc(C(=O)NCCCc2ccccc2)[nH]n1
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][P]
Cc1nn(C)c(C)c17.c17cc5[nH]n1.c16ccccc1.C4CC6.C35=O.N34
1934278
Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2ccc(F)cc2)[nH]n1
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][N][=Ring1][P]
Cc1nn(C)c(C)c17.c16ccc(F)cc1.c17cc5[nH]n1.C35=O.C4C6.N34
1934279
Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2ccccc2F)[nH]n1
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][NH1][N][=Ring1][P]
Cc1nn(C)c(C)c17.c16ccccc1F.c17cc5[nH]n1.C35=O.C4C6.N34
1934280
Cc1nn(C)c(C)c1-c1cc(C(=O)NCCc2cccc(F)c2)[nH]n1
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][NH1][N][=Ring1][P]
Cc1nn(C)c(C)c17.c16cccc(F)c1.c17cc5[nH]n1.C35=O.C4C6.N34