Microstates

Showing 401 through 500 of 7698
Rank Microstate SMILES ΔG / kcal M-1
401 EN300-90142_1_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC[C@H](C5)C(=O)N −11.6 ± 0.3
402 EN300-1644723_3_6_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5[C@@H]6[C@H]5COCC6 −11.5 ± 0.3
403 EN300-83280_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)c5ccccn5 −11.5 ± 0.3
404 EN300-205635_1_1_1 molecule COC(=O)COCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.5 ± 0.2
405 EN300-315854_1_1_1 molecule C[C@@]1(CCNC(=O)C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
406 EN300-33513_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CSCC(=O)N −11.5 ± 0.2
407 EDG-MED-90036822-94_5 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 −11.5 ± 0.3
408 EDJ-MED-d203f206-29_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCNC5=O −11.5 ± 0.3
409 EN300-128464_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC(=O)NC5CC5 −11.5 ± 0.4
410 MAT-POS-9db1e783-3_1 molecule COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl −11.5 ± 0.4
411 EN300-13890_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS[C@H]5CCS(=O)(=O)C5 −11.5 ± 0.3
412 EN300-148421_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCOC5)O −11.5 ± 0.4
413 EN300-1696043_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C6COC6 −11.5 ± 0.2
414 EN300-190283_1_2_1 molecule Cn1cncc1[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.5 ± 0.3
415 EN300-80522_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC[C@H]5CCOC5 −11.5 ± 0.2
416 EN300-107435_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCCS5(=O)=O −11.5 ± 0.3
417 EN300-191915_3_1_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 −11.5 ± 0.3
418 EN300-6744028_1_8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@@H]6C[C@H]5[C@H]([C@H]6O)O −11.5 ± 0.3
419 EN300-1590388_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(cn5)C#N −11.5 ± 0.2
420 EN300-10334_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]56CCC(=O)N5CCS6 −11.5 ± 0.4
421 EN300-6487680_1_1_1 molecule Cc1nnn(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.2
422 EDJ-MED-d203f206-5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5ccncn5 −11.5 ± 0.4
423 EN300-55072_3_2_1 molecule C[C@H](CO)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.5 ± 0.3
424 EN300-373476_3_2_1 molecule C[C@]1(CCCS1(=O)=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.4
425 EN300-114082_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)C#N −11.5 ± 0.3
426 EN300-72211_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5CC5)O −11.5 ± 0.2
427 EN300-1726277_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](n5cccn5)F −11.5 ± 0.2
428 EN300-253571_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6nnnn6CC5 −11.5 ± 0.2
429 EN300-216673_3_1_1 molecule Cn1c(cnn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
430 EN300-105267_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)Nc5cnccn5 −11.5 ± 0.3
431 EN300-211777_3_1_1 molecule CC(=O)N1CCC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
432 EN300-7444950_3_1_1 molecule COc1cc(ncn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
433 EN300-1262608_1_1_1 molecule CCNC(=O)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.5 ± 0.2
434 EN300-171766_1_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5NNC(=O)S5 −11.5 ± 0.2
435 KAD-UNI-80f122c8-5_3 molecule C[N@](C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −11.5 ± 0.3
436 EN300-243828_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]ncc5=O −11.5 ± 0.3
437 EN300-7444533_1_2_1 molecule C[C@H]1C[C@@H](C(=O)O1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
438 EDG-MED-90036822-27_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO[C@H](CN)C(F)(F)F −11.5 ± 0.5
439 EN300-251867_1_1_1 molecule COCCn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.2
440 EN300-214172_1_1_1 molecule Cn1cnc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.2
441 EN300-61694_1_1_1 molecule Cn1ncc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.2
442 EN300-6505003_1_2_1 molecule C[C@H]1CC[C@@H](C(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
443 EN300-220194_3_2_1 molecule C[C@H]([C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC −11.5 ± 0.3
444 EN300-761220_1_1_1 molecule CC(=O)N1CSC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
445 EN300-28894_1_1_1 molecule Cc1c(nn(c(=O)c1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C)C −11.5 ± 0.3
446 EN300-203293_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CNC(=O)O5 −11.5 ± 0.3
447 EN300-143449_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCN(=O)=O −11.5 ± 0.3
448 EN300-6497444_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5OC[C@H](C6)O −11.5 ± 0.2
449 VLA-UCB-34f3ed0c-21_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CC[C@H]5CC(=O)NC5 −11.5 ± 0.3
450 EN300-264301_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCC(=O)N5 −11.5 ± 0.2
451 EN300-6745453_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5Cc6nncn6C5 −11.5 ± 0.2
452 EN300-1072199_3_1_1 molecule CO[C@@]1(CCCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
453 EN300-313062_1_4_1 molecule CC(=O)N1C[C@H]2C[C@]2(C1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.5 ± 0.3
454 EN300-178293_3_1_1 molecule C[NH+]1CCN(CC1)C(=O)CCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.4
455 EN300-77359_3_1_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OCCOC −11.5 ± 0.3
456 EN300-2008102_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CN6C[C@@H](O5)CCC6=O −11.5 ± 0.3
457 EN300-7456948_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cccnn5 −11.5 ± 0.2
458 EN300-103638_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCOC5=O −11.5 ± 0.3
459 EN300-6744028_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]6C[C@@H]5[C@@H]([C@@H]6O)O −11.5 ± 0.3
460 EN300-1644723_1_8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H]6[C@H]5COCC6 −11.5 ± 0.2
461 EN300-2908024_3_1_1 molecule CC[C@@](C)(C(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.5 ± 0.3
462 EN300-201551_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COCC[N@@]5CC(F)(F)F −11.5 ± 0.3
463 EN300-6238494_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)[C@H]5COCCO5 −11.5 ± 0.3
464 VLA-UCB-34f3ed0c-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)NCc5ccn[nH]5 −11.5 ± 0.2
465 EDG-MED-90036822-37_4 molecule C[C@H]([C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O −11.5 ± 0.2
466 EN300-6738887_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5[C@@H]6CC[C@H]5[C@H](CC[C@@H]6O)O −11.5 ± 0.3
467 EN300-6488240_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5nncs5 −11.5 ± 0.2
468 EN300-85473_1_1_1 molecule Cc1c(nnn1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.2
469 EN300-872798_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5c(nnn5)C6CC6 −11.5 ± 0.3
470 EN300-6764836_1_6_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 −11.4 ± 0.3
471 EN300-6478631_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCc6n5cnn6 −11.4 ± 0.2
472 EN300-97055_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(=O)[nH]ccn5 −11.4 ± 0.2
473 EN300-222969_3_2_1 molecule CN1C[C@H](OC1=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
474 EN300-1601684_1_1_1 molecule CC1([C@@H](OCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.4 ± 0.3
475 EN300-56202_3_2_1 molecule CC(=O)N1CSC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
476 EN300-1627945_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CO[C@H]5CCCOC5 −11.4 ± 0.2
477 EN300-103722_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5OCCC6 −11.4 ± 0.2
478 EN300-20980_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cnnn5 −11.4 ± 0.3
479 EN300-297561_1_2_1 molecule CC(C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 −11.4 ± 0.3
480 EN300-2690393_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cnc5)n6cnnn6 −11.4 ± 0.2
481 EN300-98018_3_1_1 molecule CC(=O)N1CC[C@@](C1)(C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.4
482 EN300-21009_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCO5 −11.4 ± 0.2
483 MAK-UNK-c749d764-29_3 molecule c1ccc2c(c1)cncc2N(C(=O)C[C@@H]3CCC[C@H]([C@@H]3O)C(F)F)C(=O)ON −11.4 ± 0.4
484 PET-UNK-a17c93d1-1_1 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)OCC4CCCCC4 −11.4 ± 0.4
485 EN300-1709410_1_4_1 molecule C[C@H]1C[C@H](N1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −11.4 ± 0.3
486 EN300-208236_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCc6c5n[nH]n6 −11.4 ± 0.3
487 EN300-103720_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCCO6 −11.4 ± 0.2
488 EDG-MED-90036822-72_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc([nH]n5)F −11.4 ± 0.2
489 EN300-7473378_3_1_1 molecule C[NH+]1CCC(CC1)(C#N)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.4
490 EDG-MED-90036822-34_1 molecule COCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.4 ± 0.2
491 EN300-6764836_1_8_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 −11.4 ± 0.3
492 EN300-217107_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@@H]5C(=O)N −11.4 ± 0.3
493 EN300-249764_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5CCC5)O −11.4 ± 0.2
494 MAT-POS-090737b9-1_2 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl −11.4 ± 0.4
495 EN300-181492_3_1_1 molecule C=C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.4 ± 0.3
496 EN300-6729572_1_6_1 molecule C[C@H]([C@@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.4 ± 0.2
497 EN300-108236_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(nn5)CO −11.4 ± 0.3
498 ALP-POS-e0fe77e5-1_2 molecule c1ccc2c(c1)cncc2N3CCC[C@H](C3=O)c4ccc(c(c4)Cl)Cl −11.4 ± 0.3
499 EN300-6729572_3_7_1 molecule C[C@@H]([C@H]1C[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.4 ± 0.3
500 EN300-10170_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](CO)NC(=O)N −11.4 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
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