Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
401 |
EN300-67023_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C[C@@H]5CCCO5 |
−9.0
± 0.4
|
402 |
EN300-1719432_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5nc(nn5)C6CC6 |
−9.0
± 0.3
|
403 |
EN300-343474_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCNC5=O |
−9.0
± 0.2
|
404 |
EN300-307333_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCNC5=O |
−9.0
± 0.2
|
405 |
EN300-307333_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCNC5=O |
−9.0
± 0.2
|
406 |
EN300-107892_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(nn5)C6CC6 |
−9.0
± 0.2
|
407 |
EN300-217107_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@H]5C(=O)N |
−9.0
± 0.2
|
408 |
DAR-DIA-0d514e7d-4_1
|
|
C[C@H]1COc2c(cc(cc2OC3CCCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.2
|
409 |
EN300-34542_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@@H]5C(=O)N |
−9.0
± 0.2
|
410 |
EN300-28571_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccnc5n6cncn6 |
−9.0
± 0.2
|
411 |
EN300-244947_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5cn[nH]n5 |
−9.0
± 0.3
|
412 |
EN300-373584_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(=O)N)C5CCOCC5 |
−9.0
± 0.4
|
413 |
EN300-64297_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cncnc5 |
−9.0
± 0.2
|
414 |
EN300-22879_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCCC[C@H]5C(=O)N |
−9.0
± 0.3
|
415 |
EN300-102071_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)C(=O)N |
−9.0
± 0.2
|
416 |
EN300-264301_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CCC(=O)N5 |
−9.0
± 0.3
|
417 |
EN300-748981_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCn6c5nnc6 |
−9.0
± 0.3
|
418 |
EN300-7445396_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5Cc6c[nH]cc6S5(=O)=O |
−9.0
± 0.3
|
419 |
EN300-1932780_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C(F)F)O |
−9.0
± 0.3
|
420 |
EN300-6491117_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnco5 |
−9.0
± 0.2
|
421 |
EN300-73772_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5[nH]c(=O)[nH]n5 |
−9.0
± 0.2
|
422 |
EN300-6494859_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H](OC5)Cn6cccn6 |
−9.0
± 0.3
|
423 |
EN300-321597_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@H](C5)O |
−8.9
± 0.2
|
424 |
EN300-36522_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)C5CC5 |
−8.9
± 0.2
|
425 |
EN300-237561_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)cccn5 |
−8.9
± 0.3
|
426 |
EN300-317082_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC5COC5 |
−8.9
± 0.2
|
427 |
EDJ-MED-e4b030d8-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5COC5)Cl |
−8.9
± 0.2
|
428 |
EN300-1726277_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](n5cccn5)F |
−8.9
± 0.2
|
429 |
EN300-1590388_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cc(cn5)C#N |
−8.9
± 0.3
|
430 |
EN300-188356_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCOC5)F |
−8.9
± 0.2
|
431 |
EN300-3044054_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC(=O)N5C6CC6 |
−8.9
± 0.3
|
432 |
EN300-1425608_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]([C@H](C5)CO)CCO |
−8.9
± 0.3
|
433 |
EN300-246248_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CCNC5=O |
−8.9
± 0.3
|
434 |
EN300-6758891_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6COCCN6C(=O)C5 |
−8.9
± 0.2
|
435 |
EN300-25986_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5cccn5 |
−8.9
± 0.2
|
436 |
EN300-251851_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5n[n-]nn5 |
−8.9
± 0.3
|
437 |
EN300-191904_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5cnnn5 |
−8.9
± 0.2
|
438 |
EN300-1448674_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCn6c(ncn6)C5 |
−8.9
± 0.2
|
439 |
EN300-54417_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5cccc(c5)O |
−8.9
± 0.3
|
440 |
EN300-783124_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]([C@@H]5CCOC5)F |
−8.9
± 0.2
|
441 |
EN300-07752_1_4 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@@H]5C(=O)N)O |
−8.9
± 0.3
|
442 |
EN300-1968342_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H](CF)O |
−8.9
± 0.2
|
443 |
EN300-1968342_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H](CF)O |
−8.9
± 0.2
|
444 |
EN300-6494158_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5C[C@@H](CO5)CO |
−8.9
± 0.3
|
445 |
EN300-189901_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6c5[nH]c(=O)[nH]6 |
−8.9
± 0.2
|
446 |
EN300-113234_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)OC5 |
−8.9
± 0.2
|
447 |
EN300-246248_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCNC5=O |
−8.9
± 0.2
|
448 |
EN300-5253939_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5COC(=O)O5 |
−8.9
± 0.2
|
449 |
EN300-107048_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CC5)CO |
−8.9
± 0.3
|
450 |
EN300-399072_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]5CO |
−8.9
± 0.2
|
451 |
EN300-66461_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CNC(=O)N5 |
−8.9
± 0.2
|
452 |
EN300-141457_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N(CCCO)CCCO |
−8.9
± 0.3
|
453 |
EN300-185729_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCc6c(n[nH]n6)C5 |
−8.9
± 0.3
|
454 |
EN300-104029_1_4 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6[C@@H](C5)C(=O)NC6=O |
−8.9
± 0.2
|
455 |
EN300-1608992_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(C#N)C(=O)N |
−8.9
± 0.3
|
456 |
EN300-343474_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCNC5=O |
−8.9
± 0.3
|
457 |
EN300-171766_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5n[nH]c(=O)s5 |
−8.9
± 0.2
|
458 |
EN300-384234_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(c6cn[nH]n6)O |
−8.9
± 0.2
|
459 |
EN300-261210_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCOC5)C#N |
−8.9
± 0.3
|
460 |
EN300-6494158_2_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5C[C@@H](CO5)CO |
−8.9
± 0.2
|
461 |
EN300-148421_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCOC5)O |
−8.9
± 0.2
|
462 |
EN300-1726277_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](n5cccn5)F |
−8.9
± 0.2
|
463 |
EN300-318344_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncco5 |
−8.9
± 0.2
|
464 |
EN300-318344_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncco5 |
−8.9
± 0.2
|
465 |
EN300-246747_4_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5CC(=O)NC5 |
−8.9
± 0.3
|
466 |
EN300-360157_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@]5(CCOC5)O |
−8.9
± 0.2
|
467 |
EN300-69588_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)CC5 |
−8.9
± 0.2
|
468 |
EN300-103720_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCCO6 |
−8.9
± 0.2
|
469 |
EN300-244403_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CNC(=O)O5 |
−8.9
± 0.2
|
470 |
EN300-69368_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)O |
−8.9
± 0.2
|
471 |
EN300-42269_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnns5 |
−8.9
± 0.2
|
472 |
EN300-233678_1_4 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)CO)O |
−8.9
± 0.3
|
473 |
EN300-1600363_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H]5C#N |
−8.9
± 0.2
|
474 |
EN300-95507_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(on5)CO |
−8.9
± 0.2
|
475 |
EN300-128464_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC(=O)NC5CC5 |
−8.8
± 0.2
|
476 |
EN300-343562_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]([C@H]5CO)CO |
−8.8
± 0.3
|
477 |
EN300-7443878_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5CCOCC5)O |
−8.8
± 0.2
|
478 |
EN300-1267109_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(cn[nH]5)C#N |
−8.8
± 0.2
|
479 |
EN300-210110_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C6CC6 |
−8.8
± 0.2
|
480 |
EN300-321703_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCOC5COC5 |
−8.8
± 0.3
|
481 |
EN300-1600517_4_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H](CO)F |
−8.8
± 0.3
|
482 |
EN300-85760_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCO5 |
−8.8
± 0.2
|
483 |
EN300-7349829_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(=O)NCC56CCC6 |
−8.8
± 0.3
|
484 |
EN300-14767_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCN(C5)C(=O)N |
−8.8
± 0.3
|
485 |
EN300-70133_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5c(cnn5CCO)C#N |
−8.8
± 0.2
|
486 |
EN300-761618_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)Nc5cccnn5 |
−8.8
± 0.3
|
487 |
EN300-7434209_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cncc6c5[nH]c(=O)[nH]6 |
−8.8
± 0.2
|
488 |
EN300-203293_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CNC(=O)O5 |
−8.8
± 0.3
|
489 |
EN300-1706036_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C(=O)NCCO5 |
−8.8
± 0.2
|
490 |
EN300-7430501_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCn6c(cnn6)C5 |
−8.8
± 0.2
|
491 |
EN300-7430501_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCn6c(cnn6)C5 |
−8.8
± 0.2
|
492 |
EN300-151461_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)[C@@H]6CCOC6 |
−8.8
± 0.2
|
493 |
EN300-1726277_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](n5cccn5)F |
−8.8
± 0.2
|
494 |
EN300-1911992_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]([C@@H]5CCOC5)O |
−8.8
± 0.3
|
495 |
EN300-6491316_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6cnnn6c5 |
−8.8
± 0.2
|
496 |
EN300-54891_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5CO |
−8.8
± 0.2
|
497 |
EN300-77092_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5OCCO5 |
−8.8
± 0.3
|
498 |
EN300-149975_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCC5)CO |
−8.8
± 0.2
|
499 |
EN300-225165_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CC(=O)NC(=O)C5 |
−8.8
± 0.3
|
500 |
EN300-22880_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCC[C@@H](C5)C(=O)N |
−8.8
± 0.3
|