Microstates

Showing 1501 through 1600 of 11295
Rank Microstate SMILES ΔG / kcal M-1
1501 EN300-10397_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CNC(=O)N −11.0 ± 0.2
1502 EN300-5253939_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5COC(=O)O5 −11.0 ± 0.2
1503 EN300-146174_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)CO −11.0 ± 0.3
1504 EN300-306026_1_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)NC(=O)[C@H]5C[C@H](C5)O)cc1 −11.0 ± 0.2
1505 EN300-7121836_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn[nH]c5F −11.0 ± 0.2
1506 EN300-17184_3_1 molecule C=CCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1507 EN300-14405_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6n(c5=O)CCS6 −11.0 ± 0.3
1508 EN300-217107_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC[C@@H]5C(=O)N −11.0 ± 0.3
1509 EN300-96933_3_1 molecule CC(C)c1nnnn1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1510 EN300-154179_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@]6(C5)CO −11.0 ± 0.3
1511 EN300-2008102_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CN6CC(O5)CCC6=O −11.0 ± 0.3
1512 EN300-7003350_3_1 molecule CCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.2
1513 EN300-7003350_3_1 molecule CCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.2
1514 EN300-7003350_3_1 molecule CCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.2
1515 EN300-152705_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −11.0 ± 0.3
1516 EN300-96362_3_2 molecule C[C@H]([C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CC5)O −11.0 ± 0.3
1517 EN300-765003_1_1 molecule COC(=O)[C@@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.2
1518 EN300-159633_2_2 molecule C[C@](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O −11.0 ± 0.3
1519 EN300-249764_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5CCC5)O −11.0 ± 0.3
1520 EN300-189672_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5ccc(=O)[nH]c5 −11.0 ± 0.3
1521 EN300-1688974_2_2 molecule C[C@H](CC(=O)N)N(C)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1522 EN300-7399047_1_1 molecule CC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1523 EN300-99983_3_1 molecule CNC(=O)Cc1nc(on1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1524 EN300-6494158_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5C[C@@H](CO5)CO −11.0 ± 0.4
1525 EN300-35843_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5[nH]c(=O)[nH]n5 −11.0 ± 0.3
1526 EN300-132157_3_1 molecule C[C@@]1(CC(=O)NC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1527 EN300-67267_1_1 molecule Cc1[nH]c(=O)c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1528 EN300-259063_1_1 molecule CC(=O)N1CCC[C@@](C1)(CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.0 ± 0.3
1529 EN300-306097_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCOCC5)n6cnnn6 −11.0 ± 0.3
1530 EN300-251396_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@](C5)(CO)O −11.0 ± 0.5
1531 EN300-1704404_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CNC(=O)CC56CCC6 −11.0 ± 0.4
1532 EN300-1968342_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H](CF)O −11.0 ± 0.3
1533 EN300-1968342_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H](CF)O −11.0 ± 0.3
1534 EN300-55072_3_1 molecule C[C@@H](CO)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1535 EN300-7539819_1_1 molecule CC1(C[C@H]([C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O)O)C −11.0 ± 0.4
1536 EN300-92605_1_2 molecule Cn1cc(cn1)C2=NO[C@H](C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.0 ± 0.3
1537 EN300-113234_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC(=O)OC5 −11.0 ± 0.3
1538 EN300-1273016_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCc6n5ncn6 −11.0 ± 0.3
1539 EN300-109535_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CC(=O)OC5 −11.0 ± 0.3
1540 EN300-6482296_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CO[C@H]6[C@@H]5COC6 −11.0 ± 0.4
1541 EN300-264744_1_2 molecule CC(C)([C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O −11.0 ± 0.2
1542 EN300-300217_2_1 molecule C/C=C\[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.0 ± 0.3
1543 EN300-72211_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](C5CC5)O −11.0 ± 0.3
1544 EN300-1696962_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCCn5cnnn5 −11.0 ± 0.4
1545 EN300-20496_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCOC5=O −11.0 ± 0.3
1546 EN300-297927_1_1 molecule CC(C)(C)n1nc(nn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1547 EN300-33601_3_2 molecule CN1C[C@H](CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1548 EN300-62074_1_1 molecule CC(=O)N[C@@H](CCOC)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.4
1549 EN300-173903_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H]5CO −11.0 ± 0.4
1550 EN300-135310_1_1 molecule Cc1nc(on1)Cn2cc(cn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.0 ± 0.3
1551 EN300-98018_1_2 molecule CC(=O)N1CC[C@](C1)(C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1552 EN300-203118_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(CO)F −11.0 ± 0.3
1553 EN300-204419_1_1 molecule C[C@@H](CO)N(C)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1554 EN300-1726340_1_1 molecule Cn1ccc(n1)n2cc(nc2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.0 ± 0.2
1555 EN300-23223_2_1 molecule CNC(=O)CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1556 EN300-94900_4_1 molecule CS(=O)(=O)Cc1nc(on1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.4
1557 EN300-1709410_1_1 molecule C[C@@H]1C[C@@H](N1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −11.0 ± 0.3
1558 EN300-30397_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −11.0 ± 0.3
1559 EN300-30397_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −11.0 ± 0.3
1560 EN300-702756_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CS(=O)(=O)CC(=O)N5 −11.0 ± 0.3
1561 EN300-96362_1_4 molecule C[C@H]([C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CC5)O −11.0 ± 0.3
1562 EN300-26147_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5cncn5 −11.0 ± 0.3
1563 EN300-10402_3_1 molecule CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.5
1564 EN300-1911992_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]([C@H]5CCOC5)O −11.0 ± 0.3
1565 EN300-383824_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c([nH]c5=O)CCOC6 −11.0 ± 0.4
1566 EN300-2908024_3_2 molecule CC[C@](C)(C(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1567 EN300-175487_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)CO −11.0 ± 0.4
1568 EN300-30687_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(c5)OCC(=O)N −11.0 ± 0.3
1569 EN300-61860_1_1 molecule Cc1cc2[nH]c(=O)c(cn2n1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.0 ± 0.3
1570 EN300-142412_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCCC(=O)N −11.0 ± 0.3
1571 EN300-26603_1_1 molecule Cn1c2ccccc2n(c1=O)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.0 ± 0.4
1572 EN300-101373_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)CO −11.0 ± 0.4
1573 EN300-7536177_1_1 molecule Cc1ncnn1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1574 EN300-1717596_1_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)NC(=O)[C@H]5C[C@@H](C5)n6cnnc6)cc1 −11.0 ± 0.3
1575 EN300-36158_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5COCCO5 −11.0 ± 0.2
1576 EN300-195924_3_2 molecule C[C@]1(CCC(=O)NC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.4
1577 EN300-310022_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H](CN5c6ccncn6)O −11.0 ± 0.3
1578 EN300-36911_1_1 molecule CNC(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.0 ± 0.3
1579 EN300-21009_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCO5 −11.0 ± 0.3
1580 EN300-11195_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCC5 −11.0 ± 0.3
1581 EN300-246992_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCC(=O)NC5 −11.0 ± 0.3
1582 EN300-107267_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCCNC5=O −11.0 ± 0.3
1583 EN300-124052_1_2 molecule C[C@H]1CN(C[C@@H]1O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1584 EN300-269525_1_1 molecule Cc1nn(c(=O)n1C)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1585 EN300-373791_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ccnn5CC#N −11.0 ± 0.2
1586 EN300-7493922_3_1 molecule Cn1cnc(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.4
1587 EN300-103722_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5OCCC6 −11.0 ± 0.2
1588 EN300-60831_1_1 molecule CS(=O)(=O)C1(CCCC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.5
1589 EN300-6974806_3_1 molecule C[C@H]([C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −11.0 ± 0.4
1590 EN300-74167_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)C5CCOCC5 −11.0 ± 0.4
1591 EN300-755161_3_1 molecule Cn1ncc(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1592 EN300-245205_1_1 molecule COc1nc(co1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.2
1593 EN300-6356960_1_1 molecule Cn1cnnc1CCCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1594 EN300-204239_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(=O)[nH]c(n5)C6CC6 −11.0 ± 0.3
1595 EN300-66770_1_1 molecule CNC(=O)C1(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1596 EN300-56202_3_1 molecule CC(=O)N1CSC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1597 EN300-172640_1_2 molecule C[C@H]1[C@@H](NC(=O)O1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.0 ± 0.3
1598 EN300-6498076_3_1 molecule Cc1c(c(=O)ccn1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.0 ± 0.3
1599 EN300-343474_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCNC5=O −11.0 ± 0.3
1600 VLA-UCB-50c39ae8-1_1 molecule CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.0 ± 0.2
Last updated 2021-02-11T07:27:27.453800+00:00
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