Microstates

Showing 601 through 700 of 7698
Rank Microstate SMILES ΔG / kcal M-1
601 EDJ-MED-d203f206-8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5CC(=O)N −11.2 ± 0.3
602 EN300-20980_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cnnn5 −11.2 ± 0.2
603 EN300-211482_3_2_1 molecule C[C@H](C(=O)NC)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.2 ± 0.3
604 EN300-211482_3_2_1 molecule C[C@H](C(=O)NC)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.2 ± 0.3
605 EN300-248888_3_2_1 molecule C[C@](C=C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.2 ± 0.3
606 VLA-UCB-05e51b3f-12_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4O[C@@H]5CC(=O)N5)Cl)CCC6CCCCC6 −11.2 ± 0.5
607 ALP-UNI-dbbfd3db-15_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CCC5 −11.2 ± 0.3
608 EN300-6255179_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCn5cncn5 −11.2 ± 0.3
609 EN300-6255179_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCn5cncn5 −11.2 ± 0.3
610 EN300-783124_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]([C@@H]5CCOC5)F −11.2 ± 0.2
611 EN300-06654_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cncn5 −11.2 ± 0.2
612 EN300-06654_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cncn5 −11.2 ± 0.2
613 EN300-94900_3_1_1 molecule CS(=O)(=O)Cc1nc(on1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.4
614 EN300-260816_3_1_1 molecule CN1CC[C@@H](C1=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
615 EN300-178876_3_2_1 molecule C[C@]1(CCCNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.5
616 EN300-10747_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CSCC5=O −11.2 ± 0.3
617 EN300-7461217_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]([C@@H](C5)F)O −11.2 ± 0.3
618 EN300-1717795_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6[C@H](C5)OCO6 −11.2 ± 0.3
619 MAT-POS-e69ad64a-1_2 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CCNc4c3cc(cc4)Cl −11.2 ± 0.4
620 EN300-253571_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCc6nnnn6CC5 −11.2 ± 0.3
621 EN300-54417_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5cccc(c5)O −11.2 ± 0.3
622 EN300-1726277_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](n5cccn5)F −11.2 ± 0.3
623 EN300-27268_1_1_1 molecule Cc1nc(on1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.2
624 EN300-7536177_1_1_1 molecule Cc1ncnn1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.2
625 EN300-736749_3_1_1 molecule CC(=O)N1CSC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
626 EN300-120586_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCC(F)F −11.2 ± 0.2
627 EN300-364679_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cnnn5 −11.2 ± 0.2
628 EN300-245205_1_1_1 molecule COc1nc(co1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.2
629 EN300-182124_3_1_1 molecule COC1(CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
630 EN300-16091_1_1_1 molecule CCS(=O)(=O)[N@]1CCC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.6
631 EN300-67073_3_2_1 molecule CC(=O)N[C@](C)(C1CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
632 EN300-1715993_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5ccnn5 −11.2 ± 0.2
633 VLA-UCB-1dbca3b4-10_1 molecule c1ccc2c(c1)cncc2N3C(=O)CC[C@@H](C3=O)c4cccc(c4)Cl −11.2 ± 0.2
634 EN300-173216_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NCC5CC5 −11.2 ± 0.2
635 EN300-83766_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC#CCO −11.2 ± 0.2
636 EN300-96362_1_1_1 molecule C[C@@H]([C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CC5)O −11.2 ± 0.3
637 EN300-21200_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(nccn5)C(=O)N −11.2 ± 0.2
638 EN300-256174_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5ccncn5 −11.2 ± 0.4
639 EN300-396748_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)CO −11.2 ± 0.2
640 EN300-78753_3_1_1 molecule CC1(COC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
641 EN300-28571_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccnc5n6cncn6 −11.2 ± 0.2
642 EN300-315453_3_1_1 molecule Cc1cncn1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
643 EN300-92447_1_1_2 molecule C[C@H]1C[C@H](ON1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
644 EN300-1724086_1_1_1 molecule C[C@@H]1C[C@@H](CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −11.2 ± 0.3
645 MIC-UNK-c66144cb-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H](CCc3cccc(c3)F)c4cccc(c4)Cl −11.2 ± 0.3
646 EN300-60033_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC[C@@H]5CCCO5 −11.2 ± 0.3
647 EN300-124652_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5CC(=O)N −11.2 ± 0.2
648 EN300-107048_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5(CC5)CO −11.2 ± 0.3
649 MAT-POS-e69ad64a-2_2 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3COc4c3cc(cc4)Cl −11.2 ± 0.3
650 EN300-746830_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H]6CCOC[C@H]6CO5 −11.2 ± 0.2
651 EN300-370753_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@H](C5)C(=O)N −11.2 ± 0.3
652 EN300-7501017_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5[C@@H]6[C@H]5C(=O)NC6 −11.2 ± 0.3
653 EN300-180069_1_1_1 molecule Cn1c(c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −11.2 ± 0.3
654 EN300-6505003_1_3_1 molecule C[C@@H]1CC[C@H](C(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.2
655 EN300-113218_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS[C@H]5CCOC5=O −11.2 ± 0.3
656 EN300-225053_1_1_1 molecule COc1cnc(nc1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.2
657 EN300-75482_1_1_1 molecule Cc1c(c(n(n1)C)OC)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
658 EN300-3710141_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCCO5)C#N −11.2 ± 0.3
659 EN300-1425677_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCCO5)CO −11.2 ± 0.3
660 EN300-20375_3_1_1 molecule COCCOCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.2 ± 0.3
661 EDG-MED-ba1ac7b9-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]5C(=O)N −11.2 ± 0.3
662 MIC-UNK-50cce87d-6_1 molecule c1cc(cc(c1)Cl)[C@@H]2CCN(C2=O)c3cncc4c3c(ccc4)Cl −11.2 ± 0.3
663 EN300-91315_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)Cc6ccccn6 −11.2 ± 0.3
664 EN300-77092_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5OCCO5 −11.2 ± 0.3
665 EN300-111863_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cnc(n5)C#N −11.2 ± 0.2
666 EDG-MED-90036822-78_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]([C@H](C5CC5)O)F −11.2 ± 0.2
667 EDG-MED-90036822-94_4 molecule C[C@H]1C[C@H]1[C@@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O −11.2 ± 0.2
668 EN300-6764836_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]6[C@@H]([C@@H]([C@@H]5O6)O)O −11.2 ± 0.3
669 EN300-6764836_1_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]6[C@H]([C@@H]([C@@H]5O6)O)O −11.2 ± 0.2
670 EN300-51832_1_1_1 molecule Cc1cnn(c1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.2
671 EN300-7431629_3_1_1 molecule Cc1nnc2n1CC[C@@]2(C)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.1 ± 0.4
672 EN300-107048_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CC5)CO −11.1 ± 0.3
673 EN300-183231_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCc5n[n-]nn5 −11.1 ± 0.4
674 EN300-191915_1_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 −11.1 ± 0.3
675 EN300-718785_3_2_1 molecule CCN1[C@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.4
676 EN300-69368_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)O −11.1 ± 0.3
677 EN300-135060_1_1_1 molecule COC(=O)CSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.3
678 EN300-132157_1_2_1 molecule C[C@]1(CC(=O)NC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
679 EN300-18249_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N −11.1 ± 0.2
680 EN300-6494158_1_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@H](CO5)CO −11.1 ± 0.3
681 EN300-14458_3_2_1 molecule C[C@H](C(=O)N(C)C)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.3
682 EN300-300217_1_4_1 molecule C/C=C/[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.1 ± 0.2
683 EN300-247951_3_1_1 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −11.1 ± 0.3
684 EDJ-MED-d203f206-22_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5C(=O)N −11.1 ± 0.3
685 EN300-206870_1_1_1 molecule Cc1nnc(s1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
686 EN300-31969_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC(=O)N(C5)CC6CC6 −11.1 ± 0.4
687 EN300-22245_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccon5 −11.1 ± 0.2
688 EN300-1911992_3_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]([C@H]5CCOC5)O −11.1 ± 0.4
689 EN300-202922_3_3_1 molecule C[C@@H]([C@](C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −11.1 ± 0.3
690 EN300-261210_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCOC5)C#N −11.1 ± 0.2
691 EN300-72211_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C5CC5)O −11.1 ± 0.3
692 EN300-216978_1_1_1 molecule Cn1nc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.2
693 EN300-1212400_1_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@H]5CO)CO −11.1 ± 0.4
694 EN300-33601_1_1_1 molecule CN1C[C@@H](CC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.2
695 EN300-113112_3_1_1 molecule Cn1cnnc1COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.2
696 EN300-249804_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCOC(=O)N5 −11.1 ± 0.3
697 RAL-THA-065e0743-2_1 molecule Cc1c(c2ccccc2cn1)NC(=O)Cc3cc(cc(c3)Cl)O[C@@H]4CC(=O)N4 −11.1 ± 0.4
698 EN300-341337_3_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]56CCO[C@H]5CCOC6 −11.1 ± 0.5
699 EN300-152337_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)NCC5 −11.1 ± 0.3
700 EN300-154942_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5OCCO5 −11.1 ± 0.2
Last updated 2021-02-17T18:02:40.003401+00:00
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