Microstates

Showing 4401 through 4500 of 11295
Rank Microstate SMILES ΔG / kcal M-1
4401 EN300-1265949_3_1 molecule C[C@@H](C(=O)N1CCS(=O)(=O)CC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.4
4402 EN300-97699_1_1 molecule C[C@@H](CS(=O)(=O)C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
4403 EN300-370280_1_1 molecule C[C@]1(CCC(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
4404 EN300-53395_3_1 molecule CCS(=O)(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
4405 EN300-263085_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CC5)n6cnnn6 −9.8 ± 0.4
4406 EN300-7444106_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCc6nnnn6C5 −9.8 ± 0.2
4407 EN300-383664_1_1 molecule Cn1cc(ncc1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
4408 EN300-206592_1_1 molecule CCC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N −9.8 ± 0.3
4409 EN300-396329_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5C[C@@H]5CO −9.8 ± 0.3
4410 EN300-256513_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5(CC5)CC(=O)N −9.8 ± 0.3
4411 EN300-368758_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C[C@@H]6CCCO6 −9.8 ± 0.3
4412 EN300-107435_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCCS5(=O)=O −9.8 ± 0.3
4413 EN300-30859_1_1 molecule Cn1cnnc1CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
4414 EN300-22880_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCC[C@@H](C5)C(=O)N −9.8 ± 0.3
4415 EN300-307155_2_2 molecule Cn1cnnc1[C@H](CO)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4416 EN300-104891_1_1 molecule CNC(=O)c1cccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4417 EN300-24014_1_1 molecule CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4418 EN300-1251424_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5ccn(n5)CC#N −9.8 ± 0.3
4419 EN300-176877_3_1 molecule CN(C)C(=O)CCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
4420 EN300-256759_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCC(=O)NCC5 −9.8 ± 0.3
4421 EN300-244909_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)CO −9.8 ± 0.3
4422 EN300-7351945_2_1 molecule CC1(C[C@@H](CNC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −9.8 ± 0.3
4423 EN300-56202_4_1 molecule CC(=O)N1CSC[C@@H]1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.4
4424 EN300-69708_1_1 molecule Cc1c(c(=O)n2c([nH]1)ccn2)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −9.8 ± 0.4
4425 EN300-118760_2_2 molecule C[C@](C1CC1)(C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −9.8 ± 0.4
4426 EN300-364992_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC[C@H]5CC[C@H](O5)C(=O)N −9.8 ± 0.4
4427 EN300-1911992_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]([C@@H]5CCOC5)O −9.8 ± 0.4
4428 EN300-39826_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5nc6ncccn6n5 −9.8 ± 0.2
4429 JAG-UCB-706446eb-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(F)(F)F −9.8 ± 0.2
4430 EN300-307336_1_3 molecule C[C@@]1(C[C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O)CO −9.8 ± 0.4
4431 EN300-311920_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCS(=O)(=O)C5)F −9.8 ± 0.3
4432 EN300-104493_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CO)[C@H]5CCOC5 −9.8 ± 0.4
4433 EN300-90142_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC[C@@H](C5)C(=O)N −9.8 ± 0.3
4434 EN300-08259_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NCCCN5CCCC5=O −9.8 ± 0.4
4435 EN300-114894_1_1 molecule CC1(OCCO1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4436 EN300-151411_1_1 molecule CCn1c(c(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −9.8 ± 0.3
4437 EN300-705386_4_1 molecule COC[C@@H]1C[C@H]1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.4
4438 EN300-705386_4_1 molecule COC[C@@H]1C[C@H]1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.4
4439 EN300-1697763_2_1 molecule C[C@]1(CCCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −9.8 ± 0.3
4440 EN300-386200_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC[C@H]([C@H](CC5)O)O −9.8 ± 0.3
4441 EN300-42154_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CS(=O)(=O)C5CCCC5 −9.8 ± 0.4
4442 EN300-107047_1_1 molecule Cc1cc(=O)[nH]cc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4443 EN300-245098_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H]5C(=O)N −9.8 ± 0.3
4444 EN300-1602334_2_1 molecule Cc1c(cn2c(n1)ncn2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −9.8 ± 0.4
4445 EN300-31147_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCNC(=O)C5CC5 −9.8 ± 0.2
4446 EN300-157776_1_2 molecule C[C@H]1CN(C[C@@H](O1)CO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4447 EN300-314838_1_1 molecule CCn1c(cnn1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4448 EN300-30768_4_2 molecule C[C@H]1C[C@@H]1C(=O)NCC(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4449 EN300-21409_1_1 molecule C#CCNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.2
4450 EN300-21409_1_1 molecule C#CCNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.2
4451 EN300-21009_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCCO5 −9.8 ± 0.3
4452 EN300-7442191_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CN6CCC5CC6)O −9.8 ± 0.4
4453 EN300-378316_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5nnc6n5cc[nH]c6=O −9.8 ± 0.3
4454 EN300-199481_2_1 molecule CC1(CNC(=O)CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −9.8 ± 0.3
4455 EN300-127487_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC(=O)NC5 −9.8 ± 0.3
4456 EN300-248526_1_1 molecule c1ccc(cc1)[C@@](CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(C(=O)N)O −9.8 ± 0.3
4457 EN300-141695_4_2 molecule CN1CC[C@H](C1=O)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4458 EN300-309457_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CN(C5)[C@H]6CCOC6 −9.8 ± 0.4
4459 EN300-1709213_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)c6[nH]cnn6 −9.8 ± 0.3
4460 EN300-2989643_2_1 molecule Cn1c(cc(n1)OC)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4461 EN300-214552_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6c([nH]c(=O)[nH]6)nc5 −9.8 ± 0.3
4462 EN300-110012_3_1 molecule CC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C −9.8 ± 0.3
4463 EN300-124052_1_1 molecule C[C@@H]1CN(C[C@@H]1O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4464 EN300-6738887_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C6CCC5[C@H](CC[C@H]6O)O −9.8 ± 0.3
4465 EN300-1664603_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCc5ccn[nH]5 −9.8 ± 0.3
4466 EN300-34705_1_1 molecule CS(=O)(=O)N1CCC(CC1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.4
4467 EN300-34705_1_1 molecule CS(=O)(=O)N1CCC(CC1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.4
4468 EN300-1605226_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CNC(=O)N6 −9.8 ± 0.3
4469 EN300-185378_4_1 molecule C[C@@H](COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.8 ± 0.4
4470 EN300-817873_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6(C5)COCCO6 −9.8 ± 0.3
4471 EN300-741926_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@H](C5)F)O −9.8 ± 0.2
4472 EN300-74856_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCCS(=O)(=O)C5 −9.8 ± 0.3
4473 EN300-83434_2_2 molecule C[C@H]([C@@H](C)S(=O)(=O)C)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3
4474 EN300-160080_2_1 molecule CS(=O)(=O)c1nnc(s1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4475 EN300-7431964_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5CN(C5)C(=O)N −9.8 ± 0.3
4476 EN300-805037_2_1 molecule Cn1c2cc(c(=O)[nH]c2cn1)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −9.8 ± 0.3
4477 EN300-137243_2_1 molecule CN(C)c1ncc(o1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4478 EN300-6739162_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@H](C5)OC(=O)N6 −9.8 ± 0.4
4479 EN300-198540_1_2 molecule Cn1cc(cn1)[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −9.8 ± 0.3
4480 EN300-60049_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5CN6CCC[C@H]6CO5 −9.8 ± 0.3
4481 EN300-62857_1_1 molecule COCCS(=O)(=O)CCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.5
4482 EN300-3044054_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)N5C6CC6 −9.8 ± 0.3
4483 EN300-10895_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)NCCC#N −9.8 ± 0.4
4484 EN300-1718675_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnnn5C6CC6 −9.8 ± 0.4
4485 EN300-7352812_1_1 molecule Cn1cc(cn1)OC2(CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −9.8 ± 0.3
4486 EN300-13489_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCN(CC5)C(=O)N −9.8 ± 0.3
4487 EN300-302058_1_2 molecule CON1CC[C@H](C1=O)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4488 EN300-25572_2_1 molecule C[C@@H]1CN(CCO1)C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4489 EN300-253443_3_1 molecule CCCN1C[C@@H](CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3
4490 EN300-245036_2_1 molecule C[C@H]1[C@@H](CCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −9.8 ± 0.3
4491 EN300-6335413_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5C[C@H]5C(=O)NCCO −9.8 ± 0.4
4492 EN300-100741_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5[nH]cnn5 −9.8 ± 0.3
4493 EN300-6736515_2_2 molecule C[C@H]([C@@H]1COCCO1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
4494 EN300-682529_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@]5(CCOC5)CO −9.8 ± 0.3
4495 EN300-2983332_1_2 molecule CC(C)[C@H]1CNC(=O)CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2
4496 EN300-31184_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C(C)C −9.8 ± 0.3
4497 EN300-234362_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)n6cc(nn6)CO −9.8 ± 0.4
4498 EN300-117931_2_1 molecule CC(C)(CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.8 ± 0.3
4499 EN300-31148_1_1 molecule CCC(=O)N[C@@H](C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.7 ± 0.3
4500 EN300-305294_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]([C@@H]6C5)O −9.7 ± 0.2
Last updated 2021-02-11T07:27:27.453800+00:00
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