Microstates

Showing 1201 through 1300 of 1789
Rank Microstate SMILES ΔG / kcal M-1
1201 EN300-226314_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)[C@@H]5CCS(=O)(=O)C5 −7.9 ± 0.4
1202 EN300-1608590_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5nc(on5)N6CCOCC6 −7.9 ± 0.4
1203 EN300-95598_2_1 molecule Cn1cc(cn1)S(=O)(=O)NCCOC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.5
1204 EN300-190026_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CO)[C@@H]5CCCO5 −7.9 ± 0.5
1205 EN300-1238839_3_1 molecule CS(=O)(=O)NCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3
1206 EN300-1238839_3_1 molecule CS(=O)(=O)NCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3
1207 EN300-1238839_3_1 molecule CS(=O)(=O)NCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3
1208 JOH-UNI-f51e3bbc-4_1 molecule COc1c(c2ccccc2cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.9 ± 0.1
1209 EN300-1698981_2_1 molecule Cc1nc(on1)[C@@H](CO)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.5
1210 EN300-198633_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCCCNC5=O −7.9 ± 0.3
1211 EN300-188582_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H](C5)O −7.9 ± 0.3
1212 EN300-761746_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5c(=O)[nH]c(=O)[nH]n5 −7.9 ± 0.3
1213 EN300-10414_2_2 molecule C[C@]1(CCS(=O)(=O)C1)NC(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.4
1214 EN300-1212400_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H](C[C@H]5CO)CO −7.9 ± 0.3
1215 EN300-1708637_2_1 molecule C[C@H]([C@@H]1CN(CCO1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −7.9 ± 0.3
1216 EN300-71558_2_1 molecule COC(=O)NCCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3
1217 EN300-1448603_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5CCS(=O)(=O)C5 −7.9 ± 0.4
1218 EN300-1448603_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5CCS(=O)(=O)C5 −7.9 ± 0.4
1219 EN300-61592_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCC[C@@H]5O −7.9 ± 0.3
1220 EN300-657410_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CO)c5[nH]ccn5 −7.9 ± 0.5
1221 JOH-SUS-a69c159d-1_1 molecule Cc1c2ccccc2c(cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.9 ± 0.1
1222 EN300-248521_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]([C@@H](C5)O)CO −7.9 ± 0.4
1223 EN300-65839_2_1 molecule CC[C@@H](C(=O)N)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3
1224 EN300-246747_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5CC(=O)NC5 −7.9 ± 0.3
1225 MAT-POS-43fe65f4-1_1 molecule COc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl −7.8 ± 0.2
1226 EN300-372748_2_1 molecule C[C@H]1C(=O)NCCCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.3
1227 EN300-6501360_4_1 molecule CN(C)C(=O)NC[C@@H](COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −7.8 ± 0.5
1228 EN300-259063_2_2 molecule CC(=O)N1CCC[C@](C1)(CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −7.8 ± 0.3
1229 EN300-6494606_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(c(=O)[nH]c5=O)Cl −7.8 ± 0.3
1230 EN300-95562_2_1 molecule C[C@@](CNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(CO)O −7.8 ± 0.5
1231 EN300-1703093_2_1 molecule C[C@@H](C1(CC1)O)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.4
1232 VLA-UCB-05e51b3f-13_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −7.8 ± 0.3
1233 EN300-1215738_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[C@H]5CCC(=O)NC5 −7.8 ± 0.3
1234 EN300-72043_2_1 molecule CC(C)[C@@H](C(=O)N)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.8 ± 0.3
1235 EN300-1666341_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5Cc6c(cn[nH]6)[C@H]5CO −7.8 ± 0.4
1236 EN300-299920_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C([C@H](C5)O)O)O −7.8 ± 0.4
1237 EN300-299920_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C([C@H](C5)O)O)O −7.8 ± 0.4
1238 EN300-1911992_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]([C@@H]5CCOC5)O −7.8 ± 0.3
1239 EN300-306495_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH+](C)C −7.8 ± 0.4
1240 EN300-306495_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH+](C)C −7.8 ± 0.4
1241 EN300-5638430_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5CS(=O)(=O)C5 −7.8 ± 0.5
1242 EN300-7355477_1_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@@H]([C@H](C[C@H]6C5)O)O −7.8 ± 0.3
1243 EN300-104746_3_1 molecule CC[C@@](C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −7.8 ± 0.3
1244 DAR-DIA-0d514e7d-9_1 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccccc5 −7.8 ± 0.2
1245 EN300-245265_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCn5cnc(n5)C#N −7.8 ± 0.4
1246 EN300-264301_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5CCC(=O)N5 −7.8 ± 0.5
1247 DAR-DIA-23e5a6a0-5_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@H]5CC6([NH2+]5)CC6)Cl −7.8 ± 0.3
1248 EN300-46832_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC[C@@H]5CCOC5 −7.8 ± 0.3
1249 EN300-79588_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCCS(=O)(=O)N −7.8 ± 0.3
1250 EN300-79588_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCCS(=O)(=O)N −7.8 ± 0.3
1251 EN300-216063_4_1 molecule CN(C)C(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.8 ± 0.4
1252 EN300-216063_4_1 molecule CN(C)C(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.8 ± 0.4
1253 EN300-216063_4_1 molecule CN(C)C(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.8 ± 0.4
1254 EN300-66518_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)n6cncn6 −7.8 ± 0.3
1255 EN300-6486763_1_2 molecule C[C@H]1C2(CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)OC(=O)N1 −7.8 ± 0.3
1256 EN300-203853_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNS(=O)(=O)C5CC5 −7.8 ± 0.4
1257 EN300-260696_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5C[C@H]([C@@H]5n6cccn6)O −7.8 ± 0.3
1258 EN300-91609_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCO[C@H]6[C@H]5C6 −7.8 ± 0.3
1259 EN300-47657_3_1 molecule C[C@@H](C(=O)N(C)C)NC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.8 ± 0.4
1260 EDJ-MED-e4b030d8-10_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3c(c(cc4)Cl)Cl −7.77 ± 0.10
1261 EN300-1627945_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CO[C@@H]5CCCOC5 −7.8 ± 0.3
1262 EN300-66432_4_1 molecule CN(C)S(=O)(=O)CCCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.8 ± 0.3
1263 EN300-02067_4_1 molecule C[C@@H](COC)NC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.8 ± 0.4
1264 DAR-DIA-6a508060-4_1 molecule COc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl −7.8 ± 0.2
1265 EN300-20284_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H](C5)O −7.8 ± 0.3
1266 EN300-187055_1_2 molecule CN1C[C@H]2CN(CCN2C1=O)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.8 ± 0.4
1267 DAR-DIA-0d514e7d-20_1 molecule C[C@H]1COc2c(cc(cc2N3CCOCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.2
1268 EN300-97904_2_1 molecule CS(=O)(=O)CC1(CC1)CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.3
1269 EN300-259063_1_1 molecule CC(=O)N1CCC[C@@](C1)(CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −7.7 ± 0.3
1270 EN300-1238839_4_1 molecule CS(=O)(=O)NCCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.4
1271 EN300-1238839_4_1 molecule CS(=O)(=O)NCCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.4
1272 EN300-1238839_4_1 molecule CS(=O)(=O)NCCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.4
1273 DAR-DIA-0d514e7d-22_1 molecule C[C@H]1COc2c(cc(cc2N3CC[NH+](CC3)C)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −7.7 ± 0.2
1274 DAR-DIA-0d514e7d-16_1 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccccc5F −7.7 ± 0.2
1275 EN300-1267093_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]6C[C@@]6(C5)O −7.7 ± 0.3
1276 EN300-6501360_2_2 molecule CN(C)C(=O)NC[C@H](COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −7.7 ± 0.4
1277 EN300-365106_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)C(=O)N −7.7 ± 0.3
1278 JAG-UCB-706446eb-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(F)(F)F −7.7 ± 0.3
1279 DAR-DIA-0d514e7d-11_1 molecule C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)C#N −7.7 ± 0.2
1280 EN300-205143_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCCCS(=O)(=O)N −7.7 ± 0.4
1281 EN300-92664_2_1 molecule COCCn1c(ccn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.7 ± 0.4
1282 EN300-302058_4_2 molecule CON1CC[C@H](C1=O)OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.7 ± 0.4
1283 EN300-62857_1_1 molecule COCCS(=O)(=O)CCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.4
1284 DAR-DIA-6a508060-13_2 molecule CS(=O)(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.3
1285 EN300-42520_2_1 molecule C[NH+](C)CCCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.3
1286 EN300-05512_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N[C@@H]5CCS(=O)(=O)C5 −7.7 ± 0.4
1287 EN300-50009_2_1 molecule COC(=O)NCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.3
1288 EN300-1696143_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6CCCN6C(=O)C5 −7.7 ± 0.3
1289 MAK-UNK-3875bbc8-2_2 molecule CN(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl −7.7 ± 0.2
1290 EN300-73582_3_1 molecule CCS(=O)(=O)NCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.4
1291 EN300-261236_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)Cc6[nH]ncn6 −7.7 ± 0.4
1292 EN300-1452069_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](CC5CCOCC5)O −7.7 ± 0.4
1293 VLA-UCB-05e51b3f-4_1 molecule CC(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl −7.7 ± 0.2
1294 EN300-309521_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)c6nccnn6 −7.7 ± 0.3
1295 DAR-DIA-0d514e7d-7_1 molecule C[C@H]1COc2c(cc(cc2NC3CC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −7.7 ± 0.2
1296 EN300-23318_2_4 molecule C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.7 ± 0.5
1297 EN300-121939_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@H](C5)CCOC6=O −7.7 ± 0.3
1298 JAG-UCB-706446eb-2_1 molecule CCCNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.3
1299 EN300-12204_2_1 molecule CCCNC(=O)CN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.7 ± 0.4
1300 EN300-210256_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)CNC(=O)N −7.7 ± 0.3
Last updated 2021-02-02T10:18:08.528839+00:00
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