Compound List
| Compound | Smiles | Mol |
|---|---|---|
|
C1104
|
CC(C)C(NC(=O)c1c(F)cccc1F)C(=O)O |
|
|
C1106
|
O=S(=O)(Cl)c1ccc(Cl)s1 |
|
|
C1107
|
O=C(O)c1ccc(Oc2ccc(F)cc2F)cc1 |
|
|
C1108
|
COc1ccc(CNC(N)=S)cc1OC |
|
|
C1109
|
COc1ccc(C=O)cn1 |
|
|
C1110
|
Cc1ccc(C(=O)O)cc1Cl |
|
|
C1111
|
COCC(C)C(=O)O |
|
|
C1112
|
CCN(Cc1ccccc1)c1ccc(C=O)cc1 |
|
|
C1113
|
COC1=NCCC1 |
|
|
C1114
|
Brc1cccc(Oc2ccncc2)c1 |
|
|
C1115
|
Nc1nnc(N)s1 |
|
|
C1116
|
NC(Cc1ccc(Cl)cc1)=NO |
|
|
C1117
|
Cc1ccc2c(c1C)C(=O)CCO2 |
|
|
C1118
|
NC1C(=O)Nc2c1ccc(Cl)c2Cl |
|
|
C1119
|
Fc1ccc(Cl)cn1 |
|
|
C1120
|
c1csc(-c2nn[nH]n2)c1 |
|
|
C1121
|
CC(=O)c1cc(C(=O)O)n(C)c1 |
|
|
C1122
|
CCCN1CCCC1C(=O)O |
|
|
C1123
|
CCCCN1CCC(N)CC1 |
|
|
C1124
|
CC(C)(C)CC(=O)N1CCCC1C(=O)O |
|
|
C1125
|
O=C(CN1CCNCC1)Nc1ccccc1 |
|
|
C1126
|
Cc1cc(S(=O)(=O)N(C)C)cc(N)c1C |
|
|
C1127
|
CC(=O)CC(=O)N(C)Cc1cccc(Cl)c1 |
|
|
C1128
|
Cc1nn(-c2ccc(Br)cc2)c(C)c1C=O |
|
|
C1129
|
O=C(O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 |
|
|
C1130
|
Nc1cc2c(cc1N)OCCCO2 |
|
|
C1131
|
[N-]=[N+]=NCc1cccc(F)c1 |
|
|
C1132
|
CCOC(=O)c1c[nH]n(-c2ccc(C(F)(F)F)cn2)c1=N |
|
|
C1133
|
O=C(NCCN1CCCCC1)OCC(F)(F)F |
|
|
C1134
|
CN(C1CC1)S(=O)(=O)c1ccc(N)cc1 |
|
|
C1135
|
Fc1ccccc1C1CO1 |
|
|
C1136
|
C#Cc1ccc(C(=O)O)cn1 |
|
|
C1137
|
CC(C)(C)OC(=O)N1CCCNC(=O)C1 |
|
|
C1138
|
N#CC(C#N)=C1C(=O)Nc2ccccc21 |
|
|
C1139
|
Cn1cnnc1C1CCNCC1 |
|
|
C1140
|
CC(C)(CN)C(N)=O |
|
|
C1141
|
COc1cccc2c1OCC(C(=O)O)C2 |
|
|
C1142
|
COC(=O)Cc1nc(C)cs1 |
|
|
C1143
|
Cc1csc(=O)[nH]1 |
|
|
C1144
|
CCC(=O)Cc1ccc(Cl)cc1Cl |
|
|
C1145
|
CC(C)n1ncc2c(C(=O)O)cc(-c3cccs3)nc21 |
|
|
C1146
|
NC1=NC(=O)c2ccccc21 |
|
|
C1147
|
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl |
|
|
C1148
|
Cc1ccc(Nc2nc(N)nc(CCl)n2)cc1 |
|
|
C1149
|
O=C(O)C(F)(F)c1ccccc1 |
|
|
C1150
|
c1cc(-c2ccn[nH]2)ccn1 |
|
|
C1151
|
CC(C)C(C)NCC(F)(F)F |
|
|
C1152
|
NC(=O)NCC1CCCCC1 |
|
|
C1153
|
O=S(=O)(Cl)c1cccc(I)c1 |
|
|
C1154
|
O=C(O)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 |
|
|
C1155
|
Nc1ccc(Cl)nc1N |
|
|
C1156
|
Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 |
|
|
C1157
|
COC(=O)C(C)NS(C)(=O)=O |
|
|
C1158
|
O=c1[nH]c(-c2cccc(Cl)c2)cs1 |
|
|
C1159
|
O=[N+]([O-])c1ccc(F)c(S(=O)(=O)Cl)c1 |
|
|
C1160
|
O=Cc1coc(-c2ccccc2)n1 |
|
|
C1161
|
Cc1ccc(N(CCC#N)C(=O)CCl)cc1C |
|
|
C1162
|
COc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1F |
|
|
C1163
|
C[n+]1ccccc1S(=O)(=O)[O-] |
|
|
C1164
|
Cn1c(=O)c(Br)c(N)n(Cc2ccccc2)c1=O |
|
|
C1165
|
CC(C)(C)OC(=O)NC(C)(C)C(=O)O |
|
|
C1166
|
NC(=O)C1CC(C(=O)O)=NN1c1ccc(F)cc1 |
|
|
C1167
|
N#CC1(C(=O)O)CCOCC1 |
|
|
C1168
|
COC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1 |
|
|
C1169
|
COc1ccc(NS(=O)(=O)c2ccc(N)c(N)c2)cc1 |
|
|
C1170
|
O=[N+]([O-])c1c(NC2CC2)cccc1NC1CC1 |
|
|
C1171
|
O=C(O)c1ccc(N2CCOCC2)c(F)c1 |
|
|
C1172
|
O=C(O)c1cc2cc(Br)sc2[nH]1 |
|
|
C1173
|
CC(Cl)C(=O)NC(=O)NC1CC1 |
|
|
C1174
|
O=C(O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 |
|
|
C1175
|
O=C(O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12 |
|
|
C1176
|
CC(C)(C)c1ncc(C=O)s1 |
|
|
C1177
|
O=C1C(Br)CCN1c1cccc([N+](=O)[O-])c1 |
|
|
C1178
|
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=O)c(Br)s1 |
|
|
C1179
|
Cc1ccc(NC(=O)C(=O)NN)cc1C |
|
|
C1180
|
CC(C)(CN)c1ccc(Cl)c(Cl)c1 |
|
|
C1181
|
CNCc1ccc(C)s1 |
|
|
C1182
|
CCN(CC)C(=O)C(Cl)c1ccccc1 |
|
|
C1183
|
CN1CCC(C(=O)O)CC1=O |
|
|
C1184
|
CC(=O)c1sc(-c2ccc(O)cc2)nc1C |
|
|
C1185
|
COc1ccc(CNCc2ccccc2)cc1 |
|
|
C1186
|
FC(F)(F)CNCC(F)(F)F |
|
|
C1187
|
CC(CN)N(C)Cc1ccccc1 |
|
|
C1188
|
COC(=O)c1noc(C)c1C(C)=O |
|
|
C1189
|
N#CCc1ccsc1 |
|
|
C1190
|
Cc1cc(C)cc(C2(C(=O)O)CCC2)c1 |
|
|
C1191
|
O=C(O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 |
|
|
C1192
|
Cc1cc(Cl)n2ncnc2c1 |
|
|
C1193
|
O=C(O)Cn1nnc(-c2ccco2)n1 |
|
|
C1194
|
CNc1c(F)cccc1F |
|
|
C1195
|
Cc1ccc(NC2CCNCC2)cc1 |
|
|
C1196
|
N#Cc1ncn(CC(N)=O)n1 |
|
|
C1197
|
OCc1ccc(-n2cccn2)cc1 |
|
|
C1198
|
O=C(CCl)NCCc1ccc(OC(F)F)cc1 |
|
|
C1199
|
O=C(CCl)N(Cc1cccs1)C1CCS(=O)(=O)C1 |
|
|
C1200
|
O=S(=O)(c1ccc(F)c(Cl)c1)N1CCNCC1 |
|
|
C1201
|
O=C1Cc2ccccc2N1 |
|
|
C1202
|
COc1ccc(CN)cc1F |
|
|
C1203
|
O=C(O)CCc1cccc(F)c1 |
|
|
C1204
|
CCCN(C(=O)CCl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O |
|