Microstates

Showing 501 through 600 of 11295
Rank Microstate SMILES ΔG / kcal M-1
501 EN300-7463171_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCS(=O)(=O)CCO −11.9 ± 0.8
502 EN300-7355519_1_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5C[C@@H]6[C@H](O5)CCO6 −11.9 ± 0.3
503 EN300-300088_2_1 molecule CCn1cc(nn1)CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
504 EN300-217107_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@H]5C(=O)N −11.9 ± 0.2
505 EN300-126104_1_1 molecule Cc1cccn(c1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
506 EN300-188217_3_1 molecule CC(C)(CS(=O)(=O)C)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.9 ± 0.4
507 EN300-7433864_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]c(=O)n(c5=O)C6CC6 −11.9 ± 0.4
508 EN300-6277108_1_4 molecule CO[C@H]([C@H]1CCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
509 EN300-192893_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn6c(c5)ncn6 −11.9 ± 0.2
510 EN300-188174_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6c(n5)[nH]c(=O)o6 −11.9 ± 0.3
511 EN300-97300_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5C[C@H]5F −11.9 ± 0.2
512 EN300-249899_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6ncccn6cn5 −11.9 ± 0.2
513 EN300-298552_1_3 molecule CO[C@@H]([C@H]1CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
514 EN300-2007627_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@@H](C5)CO)CO −11.8 ± 0.3
515 EN300-77092_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5OCCO5 −11.8 ± 0.3
516 EN300-249421_1_4 molecule C[C@H]([C@H]1CCC(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
517 EN300-256583_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5CS(=O)(=O)C5 −11.8 ± 0.3
518 EN300-6491117_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnco5 −11.8 ± 0.2
519 EN300-1644723_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5[C@H]6[C@@H]5COCC6 −11.8 ± 0.3
520 EN300-92031_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5nc(no5)c6[nH]cnn6 −11.8 ± 0.3
521 EN300-6482967_2_1 molecule CNS(=O)(=O)CCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.8 ± 0.3
522 EN300-103144_4_2 molecule CSCC[C@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.8 ± 0.3
523 EN300-6745081_3_2 molecule C[C@]1(CCCCNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.4
524 EN300-205622_1_1 molecule CS(=O)(=O)c1nccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.4
525 EN300-10334_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]56CCC(=O)N5CCS6 −11.8 ± 0.3
526 EN300-22245_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccon5 −11.8 ± 0.2
527 EN300-52009_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCC5)O −11.8 ± 0.3
528 EN300-39501_1_1 molecule COCCS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.8 ± 0.3
529 EN300-315836_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5[nH]ccn5 −11.8 ± 0.2
530 EN300-315836_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5[nH]ccn5 −11.8 ± 0.2
531 EN300-6729572_1_4 molecule C[C@H]([C@H]1C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.8 ± 0.2
532 EN300-36522_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)C5CC5 −11.8 ± 0.2
533 EN300-21009_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCO5 −11.8 ± 0.2
534 EN300-174763_1_1 molecule CCN(CC(=O)N)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.8 ± 0.3
535 EN300-783124_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]([C@H]5CCOC5)F −11.8 ± 0.3
536 EN300-248883_3_2 molecule COC[C@]1(CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
537 EN300-7456641_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(nn5)CCOC6 −11.8 ± 0.3
538 EN300-300020_3_1 molecule CN1CCS(=O)(=O)C[C@@H]1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.5
539 EN300-219330_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOCC5=O −11.8 ± 0.3
540 EN300-364679_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cnnn5 −11.8 ± 0.3
541 EN300-125769_1_1 molecule COCCCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.8 ± 0.2
542 EN300-3710141_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCCO5)C#N −11.8 ± 0.2
543 EN300-298552_1_2 molecule CO[C@H]([C@@H]1CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
544 EN300-77778_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCS(=O)(=O)C5 −11.8 ± 0.3
545 EN300-157527_1_1 molecule Cn1c(c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)n6cnnc6 −11.8 ± 0.2
546 EN300-1664865_1_1 molecule Cn1c2c(nn1)CCC[C@@H]2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.8 ± 0.3
547 EN300-1653482_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCn6c(nnn6)C5 −11.8 ± 0.3
548 EN300-216978_4_1 molecule Cn1nc(nn1)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
549 EN300-132157_1_2 molecule C[C@]1(CC(=O)NC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
550 EN300-365398_2_1 molecule Cn1c(nnn1)CCOC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
551 EN300-132615_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N −11.8 ± 0.3
552 EN300-294602_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccsc5S(=O)(=O)N −11.8 ± 0.3
553 EN300-05620_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCNC(=O)N −11.8 ± 0.3
554 EN300-227310_1_1 molecule Cn1c(c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −11.8 ± 0.3
555 EN300-861925_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H](CO)F −11.8 ± 0.3
556 EN300-332601_1_2 molecule CC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −11.8 ± 0.3
557 EN300-185378_3_1 molecule C[C@@H](COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.8 ± 0.3
558 EN300-7459768_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(C5)(C6(CCC6)O)O −11.8 ± 0.3
559 EN300-7352438_1_1 molecule COC[C@H]1C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.2
560 EN300-6238494_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)[C@H]5COCCO5 −11.8 ± 0.4
561 EN300-69368_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)O −11.8 ± 0.3
562 EN300-7459545_3_1 molecule CN(C)C[C@@](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O −11.8 ± 0.6
563 EN300-256762_1_1 molecule Cc1c(c(=O)[nH]cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
564 EN300-95698_3_1 molecule C[C@@H]1CC(=O)NC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.4
565 EN300-367589_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(=O)NCC56COC6 −11.8 ± 0.3
566 EN300-247428_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CC6CC6 −11.8 ± 0.3
567 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 −11.8 ± 0.4
568 EN300-173216_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NCC5CC5 −11.8 ± 0.3
569 EN300-10402_1_1 molecule CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.5
570 EN300-299215_3_1 molecule C[C@H]1[C@H](OCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
571 EN300-92447_3_2 molecule CC1=NO[C@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
572 EN300-7437385_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CN6CCC[C@H]6CO5 −11.8 ± 0.3
573 EN300-736749_3_1 molecule CC(=O)N1CSC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
574 EN300-125140_3_1 molecule COCC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.8 ± 0.3
575 EN300-41423_1_1 molecule Cc1ccc(c(=O)n1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.5
576 EN300-210084_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCCC(=O)N5 −11.8 ± 0.3
577 EN300-805037_1_1 molecule Cn1c2cc(c(=O)[nH]c2cn1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.7 ± 0.3
578 EN300-219531_1_2 molecule CCC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.7 ± 0.3
579 EN300-2008102_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CN6CC(O5)CCC6=O −11.7 ± 0.3
580 EN300-149224_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc(cn5)C#N −11.7 ± 0.2
581 EN300-59487_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)NC5 −11.7 ± 0.3
582 EN300-51801_1_2 molecule CCC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −11.7 ± 0.3
583 EN300-1726153_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cccn6c5nnc6 −11.7 ± 0.3
584 EN300-62574_3_1 molecule Cn1c(nnn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
585 EN300-198633_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCCCNC5=O −11.7 ± 0.3
586 EN300-146491_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCC(=O)N5 −11.7 ± 0.2
587 EN300-151461_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)[C@@H]6CCOC6 −11.7 ± 0.3
588 EN300-97697_1_1 molecule CN(C1CC(C1)O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
589 EN300-222357_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCc5c[nH]nn5 −11.7 ± 0.2
590 EN300-198240_1_2 molecule Cn1cc(cn1)[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −11.7 ± 0.3
591 EN300-6478631_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCc6n5cnn6 −11.7 ± 0.3
592 EN300-1644723_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5[C@@H]6[C@@H]5COCC6 −11.7 ± 0.3
593 EN300-3710141_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCCO5)C#N −11.7 ± 0.2
594 EN300-84785_1_2 molecule C[C@H](CC(=O)N)NC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.7 ± 0.2
595 EN300-84785_1_2 molecule C[C@H](CC(=O)N)NC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.7 ± 0.2
596 EN300-195756_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCC(=O)N5 −11.7 ± 0.2
597 EN300-1262640_1_1 molecule CC(C)NC(=O)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.7 ± 0.2
598 EN300-6499531_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCCCS5(=O)=O −11.7 ± 0.2
599 EN300-6738887_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C6CCC5[C@H](CC[C@@H]6O)O −11.7 ± 0.5
600 EN300-127197_1_1 molecule COc1cc(on1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.2
Last updated 2021-02-11T07:27:27.453800+00:00
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