Microstates

Showing 1401 through 1500 of 6099
Rank Microstate SMILES ΔG / kcal M-1
1401 EN300-637522_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C6CCC5(CC6)C(=O)N −7.9 ± 0.3
1402 EN300-305294_1_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@@H]([C@H]6C5)O −7.9 ± 0.2
1403 EN300-260696_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]([C@@H]5n6cccn6)O −7.9 ± 0.3
1404 EN300-47500_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCCCn5cccn5 −7.9 ± 0.3
1405 EN300-188174_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6c(n5)[nH]c(=O)o6 −7.9 ± 0.2
1406 EN300-139167_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5COCCO5 −7.9 ± 0.2
1407 EN300-139167_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5COCCO5 −7.9 ± 0.2
1408 EN300-139167_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5COCCO5 −7.9 ± 0.2
1409 EN300-1273202_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCNC(=O)C(C5)(F)F −7.9 ± 0.2
1410 EN300-19242_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CO −7.9 ± 0.2
1411 EN300-154332_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]5CO −7.9 ± 0.2
1412 EN300-208236_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCc6c5n[nH]n6 −7.9 ± 0.2
1413 EN300-226314_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)[C@H]5CCS(=O)(=O)C5 −7.9 ± 0.4
1414 EN300-1268016_1_15 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]6[C@@H]5C[C@@H](C6)C(=O)N −7.9 ± 0.3
1415 EN300-175487_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)CO −7.9 ± 0.3
1416 EN300-258326_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCn5cnccc5=O −7.9 ± 0.3
1417 EN300-11195_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N5CCC5 −7.9 ± 0.2
1418 EN300-4293814_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS(=O)(=O)CCO −7.9 ± 0.5
1419 EN300-95639_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@@H](C5)O)CO −7.8 ± 0.3
1420 EN300-261210_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCOC5)C#N −7.8 ± 0.3
1421 EN300-249093_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H]5CC(=O)N −7.8 ± 0.4
1422 EN300-7355519_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5C[C@H]6[C@@H](O5)CCO6 −7.8 ± 0.3
1423 EN300-1699871_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5CCS(=O)(=O)N5 −7.8 ± 0.3
1424 EN300-872798_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cn5c(nnn5)C6CC6 −7.8 ± 0.3
1425 EN300-316258_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)COCc5cc[nH]c(=O)c5 −7.8 ± 0.3
1426 EN300-81038_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)COC6 −7.8 ± 0.2
1427 EN300-58880_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cn5)C(=O)N −7.8 ± 0.2
1428 EN300-141480_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCCN(C5=O)CCO −7.8 ± 0.3
1429 EN300-148421_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCOC5)O −7.8 ± 0.2
1430 EN300-246747_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CC(=O)NC5 −7.8 ± 0.3
1431 EN300-11195_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCC5 −7.8 ± 0.2
1432 EN300-189563_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCC5CS(=O)(=O)C5 −7.8 ± 0.3
1433 EN300-2010167_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cccc6n5nnc6 −7.8 ± 0.3
1434 EN300-4726186_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[N@@]5CCCNS5(=O)=O −7.8 ± 0.4
1435 EN300-6503811_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](Cc5cnc[nH]5)O −7.8 ± 0.3
1436 EN300-113507_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C(=O)N −7.8 ± 0.2
1437 EN300-25960_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCCC5)O −7.8 ± 0.3
1438 EN300-6491697_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5cccc(=O)[nH]5 −7.8 ± 0.2
1439 EN300-364679_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCn5cnnn5 −7.8 ± 0.2
1440 EN300-1710153_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C(C5)(F)F)O −7.8 ± 0.2
1441 EN300-06654_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cncn5 −7.8 ± 0.2
1442 EN300-06654_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cncn5 −7.8 ± 0.2
1443 EN300-60514_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(cn5)S(=O)(=O)N −7.8 ± 0.3
1444 EN300-1911992_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]([C@H]5CCOC5)O −7.8 ± 0.4
1445 EN300-139403_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)C(F)(F)F −7.8 ± 0.4
1446 EN300-365993_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6CS(=O)(=O)C[C@@H]6C5 −7.8 ± 0.3
1447 EDJ-MED-28ec730d-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5c[nH]nc5 −7.8 ± 0.2
1448 EN300-31015_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCSCC(=O)N −7.8 ± 0.3
1449 EN300-821186_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ncc6c(n5)n[nH]n6 −7.8 ± 0.2
1450 EN300-122656_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCSC5)O −7.8 ± 0.4
1451 EN300-1241327_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCOCC5 −7.8 ± 0.2
1452 EN300-1241327_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCOCC5 −7.8 ± 0.2
1453 EN300-201346_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COC(=O)N5 −7.8 ± 0.2
1454 EN300-1720418_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5=NOCC5 −7.8 ± 0.2
1455 EN300-342226_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5cnc[nH]5 −7.8 ± 0.3
1456 EN300-378044_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC=CCO5 −7.8 ± 0.2
1457 EN300-6504697_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CC6(CC6)S(=O)(=O)N5 −7.8 ± 0.3
1458 EN300-101505_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)N5 −7.8 ± 0.2
1459 EN300-25702_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CC5)O −7.8 ± 0.2
1460 MAK-UNK-8be7dca9-2_1 molecule c1cc2c(cc1CC(=O)N)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.8 ± 0.1
1461 EN300-212381_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5CCCN(C5)C(=O)N −7.8 ± 0.3
1462 EN300-159634_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc(=O)[nH]nc5 −7.8 ± 0.2
1463 EN300-189672_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccc(=O)[nH]c5 −7.8 ± 0.2
1464 EN300-7435482_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C6(C5)CCOCC6)O −7.8 ± 0.2
1465 EN300-1212400_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@H]5CO)CO −7.8 ± 0.3
1466 EN300-11195_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCC5 −7.8 ± 0.2
1467 EN300-6499164_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(=O)N[C@@H]6[C@H]5CC6 −7.8 ± 0.2
1468 EN300-7438227_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCC5)CCS(=O)(=O)N −7.8 ± 0.3
1469 EN300-1068239_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cnon5 −7.8 ± 0.2
1470 EN300-191187_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]([C@H]5CCCO5)C(=O)N −7.8 ± 0.3
1471 EN300-61592_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCC[C@H]5O −7.8 ± 0.2
1472 EN300-6737762_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCCNC5=O −7.8 ± 0.3
1473 EN300-6494158_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5C[C@@H](CO5)CO −7.8 ± 0.3
1474 EN300-67533_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H](C5CC5)O −7.8 ± 0.2
1475 EN300-27261_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(nc5)n6cncn6 −7.8 ± 0.3
1476 EN300-253571_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCc6nnnn6CC5 −7.8 ± 0.2
1477 EN300-702756_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CS(=O)(=O)CC(=O)N5 −7.8 ± 0.3
1478 EN300-36850_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCNC(=O)C5CC5 −7.8 ± 0.3
1479 EN300-11714_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5ccccc5=O −7.8 ± 0.3
1480 EN300-1700760_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CC6(C5)CC(=O)N6 −7.8 ± 0.3
1481 EN300-105693_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(COC5)CO −7.8 ± 0.2
1482 EN300-182579_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CN(C5)CC(F)F −7.8 ± 0.3
1483 EN300-7355519_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5C[C@H]6[C@@H](O5)CCO6 −7.8 ± 0.2
1484 EN300-31969_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)N(C5)CC6CC6 −7.8 ± 0.3
1485 EN300-38979_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5ccnc5 −7.8 ± 0.2
1486 EN300-38979_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5ccnc5 −7.8 ± 0.2
1487 EN300-246747_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CC(=O)NC5 −7.8 ± 0.2
1488 EN300-124365_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCC5)[NH+]6CCOCC6 −7.8 ± 0.4
1489 EN300-1073320_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](C5(CCC5)O)O −7.8 ± 0.3
1490 EN300-96037_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@H](C5)O)O −7.8 ± 0.2
1491 EN300-1644723_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5[C@H]6[C@@H]5COCC6 −7.8 ± 0.2
1492 EN300-238234_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c([nH]c5=O)CCC[C@H]6O −7.8 ± 0.3
1493 EN300-244909_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCOCC5)CO −7.8 ± 0.3
1494 EN300-1932013_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](CC(F)(F)F)O −7.8 ± 0.4
1495 EN300-36731_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c(ccs5)n6cnnn6 −7.8 ± 0.3
1496 EN300-31969_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC(=O)N(C5)CC6CC6 −7.8 ± 0.3
1497 EN300-46832_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC[C@H]5CCOC5 −7.8 ± 0.3
1498 EN300-31102_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CCN(CC5)S(=O)(=O)N −7.8 ± 0.4
1499 EN300-70033_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]5CO −7.8 ± 0.3
1500 EN300-370967_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCOC5=O −7.8 ± 0.3
Last updated 2020-12-08T20:22:29.488528+00:00
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