Microstates

Showing 1301 through 1400 of 6099
Rank Microstate SMILES ΔG / kcal M-1
1301 EN300-1267093_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6C[C@@]6(C5)O −7.9 ± 0.3
1302 EN300-91609_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H]6[C@H]5C6 −7.9 ± 0.2
1303 EN300-88131_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)CO −7.9 ± 0.2
1304 MAK-UNK-3875bbc8-2_1 molecule CN(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.95 ± 0.09
1305 EN300-657320_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CSCC(=O)N5 −7.9 ± 0.2
1306 EN300-262604_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cnc(n5)C(=O)N −7.9 ± 0.3
1307 EN300-1707870_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(CCO)CO −7.9 ± 0.3
1308 EN300-178515_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCC(=O)N −7.9 ± 0.3
1309 EN300-6474220_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(CCn5ccnn5)(F)F −7.9 ± 0.3
1310 EN300-121939_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@@H](C5)CCOC6=O −7.9 ± 0.3
1311 EN300-7500524_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@@H](C5)COC(=O)N6 −7.9 ± 0.3
1312 EN300-360157_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@]5(CCOC5)O −7.9 ± 0.2
1313 EN300-59386_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(s5)S(=O)(=O)N −7.9 ± 0.3
1314 EN300-1911992_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]([C@@H]5CCOC5)O −7.9 ± 0.3
1315 EN300-90142_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCC[C@@H](C5)C(=O)N −7.9 ± 0.3
1316 EN300-1932013_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CC(F)(F)F)O −7.9 ± 0.3
1317 EN300-1452069_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](CC5CCOCC5)O −7.9 ± 0.3
1318 EN300-246747_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CC(=O)NC5 −7.9 ± 0.2
1319 EN300-47500_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NCCCn5cccn5 −7.9 ± 0.3
1320 EN300-2011576_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5Cc6c(nccn6)C5 −7.9 ± 0.3
1321 EN300-1662365_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCc6ncnn6C5 −7.9 ± 0.3
1322 EN300-42154_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C5CCCC5 −7.9 ± 0.3
1323 EN300-1608240_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(=O)N6[C@@H]5COCC6 −7.9 ± 0.3
1324 EN300-7355519_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5C[C@@H]6[C@@H](O5)CCO6 −7.9 ± 0.3
1325 EN300-316171_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(C(=O)N)O −7.9 ± 0.2
1326 EN300-6494158_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5C[C@H](CO5)CO −7.9 ± 0.3
1327 EN300-196962_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@@H]5CO −7.9 ± 0.2
1328 EN300-210089_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5[C@H]6[C@H]5COC6 −7.9 ± 0.2
1329 EN300-39826_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5nc6ncccn6n5 −7.9 ± 0.3
1330 EN300-123489_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CO)(F)F −7.9 ± 0.3
1331 EN300-246178_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn(c5)C[C@@H](CO)O −7.9 ± 0.4
1332 EN300-6743781_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCCNS(=O)(=O)CC5 −7.9 ± 0.3
1333 EN300-6736413_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@H]5CCNC5=O −7.9 ± 0.2
1334 EN300-6736413_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@H]5CCNC5=O −7.9 ± 0.2
1335 EN300-270710_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCS(=O)(=O)N −7.9 ± 0.2
1336 EN300-1644723_3_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5[C@H]6[C@H]5COCC6 −7.9 ± 0.2
1337 EN300-127156_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(no5)C(=O)N −7.9 ± 0.2
1338 EN300-1609922_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(c6ccn[nH]6)O −7.9 ± 0.3
1339 EN300-80245_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5c(cnn5CCO)C(=O)N −7.9 ± 0.3
1340 EN300-29228_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCn6c(cnn6)C5 −7.9 ± 0.3
1341 EN300-702062_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCO[C@@H]5CCOC5 −7.9 ± 0.3
1342 EN300-79180_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H](C5CCOCC5)O −7.9 ± 0.3
1343 EN300-1609922_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(c6ccn[nH]6)O −7.9 ± 0.3
1344 EN300-103979_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(nc5)OCC(=O)N6 −7.9 ± 0.2
1345 EN300-246423_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5(CCC5)O −7.9 ± 0.3
1346 EN300-321597_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC[C@H](C5)O −7.9 ± 0.2
1347 EN300-18249_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N −7.9 ± 0.1
1348 EN300-7457160_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5=NO[C@H](C5)CC6(COC6)O −7.9 ± 0.3
1349 EN300-1644703_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5(CC5)O −7.9 ± 0.2
1350 EN300-741926_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)F)O −7.9 ± 0.2
1351 EN300-6494859_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H](OC5)Cn6cccn6 −7.9 ± 0.3
1352 EN300-80241_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)Cn6cncn6 −7.9 ± 0.3
1353 EN300-344121_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
1354 EN300-25791_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CCN(CC5)C(=O)N −7.9 ± 0.3
1355 EN300-303908_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@]6(C[C@H]6C5)O −7.9 ± 0.3
1356 EN300-20496_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@H]5CCOC5=O −7.9 ± 0.2
1357 EN300-246248_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCNC5=O −7.9 ± 0.2
1358 EN300-107267_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCCNC5=O −7.9 ± 0.3
1359 EN300-108022_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCn5cnnn5 −7.9 ± 0.2
1360 EN300-1587691_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCNC(=O)[C@@H]5CCO −7.9 ± 0.3
1361 EN300-1588617_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5C[C@H]5C#N −7.9 ± 0.2
1362 EN300-118869_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)NC(=O)N −7.9 ± 0.3
1363 EN300-120920_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCC(=O)NC5=O −7.9 ± 0.2
1364 EN300-6474220_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C(CCn5ccnn5)(F)F −7.9 ± 0.3
1365 EN300-88656_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCS5(=O)=O −7.9 ± 0.3
1366 EN300-69312_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)O −7.9 ± 0.2
1367 EN300-2007620_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](OCC5)CO −7.9 ± 0.3
1368 EN300-306097_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCOCC5)n6cnnn6 −7.9 ± 0.2
1369 EN300-64297_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cncnc5 −7.9 ± 0.2
1370 EN300-658559_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6ccnn6 −7.9 ± 0.3
1371 EN300-1448603_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CCS(=O)(=O)C5 −7.9 ± 0.3
1372 EN300-1448603_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CCS(=O)(=O)C5 −7.9 ± 0.3
1373 EN300-37195_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N[C@@H]5CCCCNC5=O −7.9 ± 0.3
1374 EN300-333468_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnn(c5Cl)CCO −7.9 ± 0.3
1375 EN300-140582_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5COCC[N@]5CC(F)F −7.9 ± 0.3
1376 EN300-122656_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCSC5)O −7.9 ± 0.4
1377 EN300-1212400_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@@H]5CO)CO −7.9 ± 0.2
1378 EN300-2010267_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CCC(=O)N6 −7.9 ± 0.2
1379 EN300-85413_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CC(=O)N)C5CC5 −7.9 ± 0.3
1380 EN300-1704404_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CNC(=O)CC56CCC6 −7.9 ± 0.3
1381 EN300-60033_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)COC[C@H]5CCCO5 −7.9 ± 0.2
1382 EN300-185729_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCc6c(n[nH]n6)C5 −7.9 ± 0.3
1383 EN300-128277_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(=O)NCC(F)F −7.9 ± 0.3
1384 EN300-66461_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CNC(=O)N5 −7.9 ± 0.2
1385 EN300-65253_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)Cc5ccc(cc5)O −7.9 ± 0.3
1386 EN300-100765_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@H](C5)CNC6=O −7.9 ± 0.2
1387 JOH-SUS-a69c159d-5_1 molecule c1cc2c(cc1F)c(cnc2F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.87 ± 0.08
1388 EN300-7353672_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@H](CC5)O)CO −7.9 ± 0.4
1389 EN300-142412_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCCC(=O)N −7.9 ± 0.3
1390 EN300-304771_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCN(C5=O)C6CC6 −7.9 ± 0.3
1391 EN300-306144_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(C5)(CO)CO −7.9 ± 0.3
1392 EN300-205616_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@H]5c6[nH]ncn6 −7.9 ± 0.3
1393 EN300-159634_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cc(=O)[nH]nc5 −7.9 ± 0.2
1394 EN300-270710_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCS(=O)(=O)N −7.9 ± 0.3
1395 EN300-195590_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCCNC(=O)C5 −7.9 ± 0.3
1396 EN300-1911992_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]([C@@H]5CCOC5)O −7.9 ± 0.3
1397 EN300-66290_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(=O)N)CC(=O)N −7.9 ± 0.3
1398 EN300-205616_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H]5c6[nH]ncn6 −7.9 ± 0.3
1399 EN300-317272_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)C[C@H]6CCOC6 −7.9 ± 0.4
1400 EN300-203402_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6c(n5)[nH]c(=O)[nH]6 −7.9 ± 0.2
Last updated 2020-12-08T20:22:29.488528+00:00
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