Microstates

Showing 5401 through 5500 of 6099
Rank Microstate SMILES ΔG / kcal M-1
5401 EN300-6474647_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCN6[C@H](C5)CCNC6=O −4.6 ± 0.3
5402 EN300-1644723_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5[C@@H]6[C@@H]5COCC6 −4.6 ± 0.2
5403 EN300-321213_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[N@@H+]5CC[C@H](C5)O −4.6 ± 0.3
5404 EN300-61337_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[NH+](CC5)CCCO −4.6 ± 0.4
5405 EN300-13890_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CS[C@H]5CCS(=O)(=O)C5 −4.6 ± 0.3
5406 EN300-701259_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5c[nH+]c6n5CCOC6 −4.6 ± 0.3
5407 EN300-7355978_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c6c(c(=O)[nH]cn6)n[nH]5 −4.6 ± 0.3
5408 EN300-6763470_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](C(=O)N)C(F)(F)F −4.6 ± 0.2
5409 EN300-244278_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cc6n(n5)CCOC6 −4.6 ± 0.3
5410 EN300-122579_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCSC[C@@H]5CO −4.6 ± 0.3
5411 EN300-781107_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@](C5)(CO)O −4.6 ± 0.4
5412 EN300-657211_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5[nH]nc(n5)C6CC6 −4.6 ± 0.3
5413 EN300-80390_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5ccn(n5)CCC(=O)N −4.6 ± 0.2
5414 EN300-57126_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H](CN5CCCC5=O)O −4.6 ± 0.4
5415 EN300-7237143_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCc6c([nH]c(=O)[nH]6)C5 −4.6 ± 0.2
5416 EN300-144606_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cn[nH]c5S(=O)(=O)N −4.6 ± 0.3
5417 EN300-253681_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCN5CCNC5=O −4.6 ± 0.2
5418 EN300-7355519_4_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@@H]5C[C@H]6[C@H](O5)CCO6 −4.6 ± 0.3
5419 EN300-260603_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5c[nH]c(=O)[nH]5 −4.6 ± 0.3
5420 EN300-2011576_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5Cc6c(nccn6)C5 −4.6 ± 0.3
5421 EN300-1221623_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[N@H+]5CCn6c(ccn6)C5 −4.6 ± 0.3
5422 EN300-2965876_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[N@@H+]5CC[C@H](C5)CO −4.6 ± 0.4
5423 EN300-86205_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5c(=O)[nH]cnc5[O-] −4.6 ± 0.3
5424 EN300-59879_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[NH+]5CCC(CC5)CO −4.6 ± 0.3
5425 EN300-1440321_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CCC5)S(=O)(=O)N −4.6 ± 0.3
5426 EN300-260696_2_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5C[C@@H]([C@H]5n6cccn6)O −4.6 ± 0.3
5427 EN300-39843_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCN5CCS(=O)(=O)CC5 −4.6 ± 0.4
5428 EN300-6730698_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H](C5)[NH+]6CC(C6)O −4.6 ± 0.4
5429 EN300-6779469_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5[C@H]6[C@@H]5CS(=O)(=O)C6 −4.6 ± 0.3
5430 EN300-259060_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@](C5)(CC(=O)N)O −4.6 ± 0.4
5431 EN300-317867_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[N@@H+]5CCNC(=O)C5 −4.6 ± 0.4
5432 EN300-359842_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5c6ccnn6ccn5 −4.6 ± 0.3
5433 EN300-905492_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CN(C5)c6ncc(cn6)F −4.6 ± 0.3
5434 EN300-256759_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCC(=O)NCC5 −4.6 ± 0.2
5435 EN300-7432415_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5C6(CCC6)OC(=O)N5 −4.6 ± 0.3
5436 EN300-114593_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cnn6c5cccn6 −4.6 ± 0.3
5437 EN300-1932780_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H](C(F)F)O −4.6 ± 0.3
5438 DAR-DIA-6a508060-13_2 molecule CS(=O)(=O)NCC[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −4.6 ± 0.2
5439 EN300-204507_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)(CO)F −4.6 ± 0.3
5440 EN300-204507_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)(CO)F −4.6 ± 0.3
5441 EN300-213215_2_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H](C5)[N@@H+]6CC[C@H](C6)O −4.6 ± 0.4
5442 EN300-1932013_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H](CC(F)(F)F)O −4.6 ± 0.4
5443 EN300-52167_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5ccn(n5)CC(=O)N −4.6 ± 0.3
5444 EN300-256798_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCc6nnnn6CC5 −4.6 ± 0.2
5445 BEN-BAS-5c03e89e-1_3 molecule CC(C)([C@@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl)O −4.6 ± 0.2
5446 EN300-1721667_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(=O)NC5CCC5 −4.6 ± 0.3
5447 EN300-71125_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCn6cnnc6C5 −4.6 ± 0.3
5448 EN300-172179_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CN5CCOC5=O −4.6 ± 0.3
5449 EN300-144935_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCC[N@]5CCCS5(=O)=O −4.6 ± 0.4
5450 EN300-144935_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCC[N@]5CCCS5(=O)=O −4.6 ± 0.4
5451 EN300-298869_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@]5(CCOC5)OCCO −4.6 ± 0.4
5452 EN300-225920_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](c5ccccn5)C(=O)N −4.6 ± 0.3
5453 EN300-59478_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCCC(=O)N −4.6 ± 0.4
5454 EN300-226921_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5CCC[N@H+]5CCCO −4.6 ± 0.3
5455 EN300-1609231_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5(CC(C5)CO)C(=O)N −4.6 ± 0.3
5456 EN300-263346_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5c(=O)n6c(n5)CCCC6 −4.6 ± 0.3
5457 EN300-2965876_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[N@@H+]5CC[C@@H](C5)CO −4.6 ± 0.3
5458 EN300-7427198_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CC[N@H+](C5)C6COC6 −4.6 ± 0.3
5459 EN300-226921_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5CCC[N@H+]5CCCO −4.5 ± 0.4
5460 EN300-226334_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCC[N@H+](C5)CCCO −4.5 ± 0.5
5461 EN300-7445396_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5Cc6c[nH]cc6S5(=O)=O −4.5 ± 0.3
5462 EN300-233678_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@@H](C5)CO)O −4.5 ± 0.3
5463 EN300-6758891_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H]6COCCN6C(=O)C5 −4.5 ± 0.3
5464 EN300-7431651_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5C[NH+](C5)C6COC6 −4.5 ± 0.3
5465 EN300-761209_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cnn(c5)CCO −4.5 ± 0.3
5466 EN300-20345_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[NH+]5CCOCC5 −4.5 ± 0.4
5467 JAG-UCB-706446eb-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)[O-] −4.5 ± 0.2
5468 EN300-29228_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCn6c(cnn6)C5 −4.5 ± 0.3
5469 EN300-7370063_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)CO −4.5 ± 0.3
5470 EN300-7370063_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)CO −4.5 ± 0.3
5471 EN300-83529_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5nc6ncccn6n5 −4.5 ± 0.2
5472 EN300-7434114_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC6(C5)[C@@H](CCCO6)O −4.5 ± 0.3
5473 EN300-252113_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)(=O)[C@H]6[C@H]5CCOC6 −4.5 ± 0.3
5474 EN300-14006_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@H]5CCS(=O)(=O)C5 −4.5 ± 0.3
5475 EN300-6764893_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H](C5)OCCO −4.5 ± 0.4
5476 EN300-225165_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CC5CC(=O)NC(=O)C5 −4.5 ± 0.4
5477 EN300-7456562_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCC(=O)NC5=O −4.5 ± 0.3
5478 EN300-244947_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCc5cn[nH]n5 −4.5 ± 0.3
5479 EN300-6474933_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCO[C@H]5CCS(=O)(=O)C5 −4.5 ± 0.3
5480 EN300-6474933_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCO[C@H]5CCS(=O)(=O)C5 −4.5 ± 0.3
5481 EN300-157830_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H](C5)OCCO −4.5 ± 0.3
5482 EN300-157830_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H](C5)OCCO −4.5 ± 0.3
5483 EN300-301703_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(CCOCC5)C(=O)N −4.5 ± 0.3
5484 EN300-301703_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(CCOCC5)C(=O)N −4.5 ± 0.3
5485 EN300-1704723_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cn(nn5)CCCF −4.5 ± 0.3
5486 MAK-UNK-3875bbc8-1_1 molecule Cc1ccc2c(c1)[C@H](CCO2)C(=O)N(C)c3cncc4c3cccc4 −4.5 ± 0.2
5487 EN300-6743433_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5ccn6c(c5)cnn6 −4.5 ± 0.3
5488 MAT-POS-f7918075-1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)Cl −4.5 ± 0.1
5489 EN300-74706_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[NH+]5CCC(CC5)C(=O)N −4.5 ± 0.3
5490 EN300-7473032_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCNC(=O)[C@H]5C(=O)N −4.5 ± 0.2
5491 EN300-59879_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[NH+]5CCC(CC5)CO −4.5 ± 0.5
5492 EN300-7444106_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCc6nnnn6C5 −4.5 ± 0.3
5493 EN300-67050_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCS(=O)(=O)CC5 −4.5 ± 0.3
5494 EN300-7426781_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5c6cccn6ncn5 −4.5 ± 0.2
5495 EN300-71106_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCc6ncnn6C5 −4.5 ± 0.2
5496 EN300-6746326_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5CCC(=O)NC5 −4.5 ± 0.3
5497 EN300-6746326_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5CCC(=O)NC5 −4.5 ± 0.3
5498 EN300-1723565_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](C[C@@H]5CCOC5)CO −4.5 ± 0.3
5499 EN300-02623_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5nc([nH]n5)CCCO −4.5 ± 0.2
5500 EN300-41307_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5cnn(c5)CC(=O)N −4.5 ± 0.2
Last updated 2020-12-09T19:38:12.118034+00:00
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