| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 4901 |
EN300-173562_2_3 |
|
C[C@@H]1C[C@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.6
± 0.3
|
| 4902 |
EN300-173562_2_3 |
|
C[C@@H]1C[C@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.6
± 0.3
|
| 4903 |
EN300-7444533_2_2 |
|
C[C@H]1C[C@@H](C(=O)O1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4904 |
EN300-1968342_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H](CF)O |
−9.6
± 0.4
|
| 4905 |
EN300-1968342_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H](CF)O |
−9.6
± 0.4
|
| 4906 |
EN300-1448674_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCn6c(ncn6)C5 |
−9.6
± 0.3
|
| 4907 |
EN300-301690_1_2 |
|
CS(=O)(=O)N1CC[C@H](C1)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4908 |
EN300-1238839_1_1 |
|
CS(=O)(=O)NCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.6
± 0.3
|
| 4909 |
EN300-1238839_1_1 |
|
CS(=O)(=O)NCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.6
± 0.3
|
| 4910 |
EN300-1238839_1_1 |
|
CS(=O)(=O)NCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.6
± 0.3
|
| 4911 |
EN300-180172_1_1 |
|
C[C@@](Cn1ccccc1=O)(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.6
± 0.3
|
| 4912 |
EN300-862094_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]5C(=O)N |
−9.6
± 0.3
|
| 4913 |
EN300-35428_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(=O)NC5CC5 |
−9.6
± 0.2
|
| 4914 |
EN300-103284_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(CCC5)CC(=O)N |
−9.6
± 0.3
|
| 4915 |
EN300-260284_2_1 |
|
Cn1c(c[nH]c1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.2
|
| 4916 |
EN300-378316_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5nnc6n5cc[nH]c6=O |
−9.6
± 0.3
|
| 4917 |
EN300-399606_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6n(n5)CCC[C@@H]6O |
−9.6
± 0.3
|
| 4918 |
EN300-108430_1_1 |
|
C[C@@H](CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)CO |
−9.6
± 0.3
|
| 4919 |
EN300-202106_2_1 |
|
Cn1c2c(c(ccn2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)nn1 |
−9.6
± 0.3
|
| 4920 |
EN300-23317_1_1 |
|
C[C@@H](C(=O)NCCOC)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.6
± 0.4
|
| 4921 |
EN300-6744028_2_7 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CC6CC5[C@H]([C@H]6O)O |
−9.6
± 0.3
|
| 4922 |
EN300-107740_1_1 |
|
Cc1nnn(n1)CCNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4923 |
EN300-62191_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCC(=O)NC5 |
−9.6
± 0.3
|
| 4924 |
EN300-62191_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCC(=O)NC5 |
−9.6
± 0.3
|
| 4925 |
EN300-76387_1_1 |
|
C[C@@H](Cc1[nH]nnn1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4926 |
EDJ-MED-e4b030d8-13_1
|
|
C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.60
± 0.07
|
| 4927 |
EN300-112872_3_1 |
|
CC(C)(C)[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C |
−9.6
± 0.5
|
| 4928 |
ALP-POS-696356e4-1_1
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−9.60
± 0.05
|
| 4929 |
EN300-325738_4_2 |
|
CN1[C@H](CCCC1=O)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4930 |
EN300-226776_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)(CO)O |
−9.6
± 0.4
|
| 4931 |
EN300-7434334_2_1 |
|
Cn1cnc2c1ncnc2C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.6
± 0.3
|
| 4932 |
EN300-04073_3_1 |
|
CC(=O)NCCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.6
± 0.3
|
| 4933 |
EN300-306774_1_2 |
|
C[C@]1(C(=O)NC(=O)N1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.2
|
| 4934 |
EN300-657211_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5[nH]c(nn5)C6CC6 |
−9.6
± 0.2
|
| 4935 |
EN300-27261_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(nc5)n6cncn6 |
−9.6
± 0.2
|
| 4936 |
EN300-746311_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c[nH]c6c5c(=O)[nH]cn6 |
−9.6
± 0.3
|
| 4937 |
EN300-250533_1_1 |
|
C[C@]1(C[C@@H](C1)NC(=O)C[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5)O |
−9.6
± 0.2
|
| 4938 |
EN300-6493060_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6[C@@H]([C@@H]5CO6)O |
−9.6
± 0.3
|
| 4939 |
EN300-120920_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCC(=O)NC5=O |
−9.6
± 0.3
|
| 4940 |
EN300-22245_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccon5 |
−9.6
± 0.2
|
| 4941 |
EN300-118760_4_1 |
|
C[C@@](C1CC1)(C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.6
± 0.4
|
| 4942 |
EN300-6491682_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCc6c(nn[nH]6)C5 |
−9.6
± 0.2
|
| 4943 |
EN300-1707870_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(CCO)CO |
−9.6
± 0.4
|
| 4944 |
EN300-307592_2_1 |
|
c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)CCC(=O)N[C@H]5C[C@@H](C5)O)cc1 |
−9.6
± 0.3
|
| 4945 |
EN300-13890_2_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CS[C@H]5CCS(=O)(=O)C5 |
−9.6
± 0.3
|
| 4946 |
EN300-83030_2_2 |
|
COC[C@H](CCO)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.6
± 0.3
|
| 4947 |
EN300-1725538_1_1 |
|
Cn1cc(nc1)C[C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.6
± 0.3
|
| 4948 |
EN300-300217_4_2 |
|
C/C=C/[C@@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.6
± 0.4
|
| 4949 |
EN300-781107_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(CO)O |
−9.6
± 0.5
|
| 4950 |
EN300-21258_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCO |
−9.6
± 0.2
|
| 4951 |
EN300-1277662_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5C[C@H]5CO |
−9.6
± 0.3
|
| 4952 |
EN300-1588613_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCN6[C@@H]5COCC6 |
−9.6
± 0.4
|
| 4953 |
EN300-7352438_4_1 |
|
COC[C@H]1C[C@@H]1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4954 |
BEN-DND-c852c98b-6_1
|
|
c1cc2cncc(c2cc1OC(F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−9.59
± 0.07
|
| 4955 |
EN300-51257_2_2 |
|
C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC |
−9.6
± 0.2
|
| 4956 |
EN300-132963_1_1 |
|
CN1[C@@H](CCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4957 |
EN300-23942_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5cccn5 |
−9.6
± 0.3
|
| 4958 |
EN300-181558_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCC(CC5)O)O |
−9.6
± 0.3
|
| 4959 |
EN300-704039_1_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H](C56CCOCC6)O |
−9.6
± 0.4
|
| 4960 |
MAT-POS-8a69d52e-1_3
|
|
C[C@@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.58
± 0.05
|
| 4961 |
MAK-UNK-83e0a0b4-3_1
|
|
c1ccc2c(c1)cncc2N(CCNC3CNC3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−9.6
± 0.3
|
| 4962 |
EN300-137734_1_1 |
|
C[C@@H]1CN(CCS1(=O)=O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4963 |
EN300-262745_2_1 |
|
CCn1cc(nn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4964 |
EN300-104746_1_1 |
|
CC[C@@](C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.6
± 0.2
|
| 4965 |
EN300-45049_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCS(=O)(=O)N5 |
−9.6
± 0.4
|
| 4966 |
EN300-226314_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)[C@@H]5CCS(=O)(=O)C5 |
−9.6
± 0.3
|
| 4967 |
EN300-251867_2_1 |
|
COCCn1cc(nn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4968 |
EN300-6760451_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nnc6n5cccc6 |
−9.6
± 0.2
|
| 4969 |
EN300-1708882_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@@H]5COC[C@H]5O |
−9.6
± 0.4
|
| 4970 |
EN300-24014_3_1 |
|
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.5
|
| 4971 |
EN300-68740_1_1 |
|
CCCNC(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.6
± 0.3
|
| 4972 |
EN300-257315_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCn5cnnc5 |
−9.6
± 0.2
|
| 4973 |
EN300-08063_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCC(CC5)C(=O)N |
−9.6
± 0.3
|
| 4974 |
EN300-6255179_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cncn5 |
−9.6
± 0.2
|
| 4975 |
EN300-6255179_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cncn5 |
−9.6
± 0.2
|
| 4976 |
EN300-10170_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H](CO)NC(=O)N |
−9.6
± 0.3
|
| 4977 |
EN300-233821_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC6CC5C(=O)O6 |
−9.6
± 0.3
|
| 4978 |
EN300-6482296_2_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CO[C@H]6[C@@H]5COC6 |
−9.6
± 0.5
|
| 4979 |
EN300-7494324_3_1 |
|
Cc1c(nc[nH]1)C[C@@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.6
± 0.3
|
| 4980 |
EN300-233678_2_4 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@H](C5)CO)O |
−9.6
± 0.3
|
| 4981 |
EN300-217107_4_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CC[C@@H]5C(=O)N |
−9.6
± 0.3
|
| 4982 |
EN300-16091_3_1 |
|
CCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.5
|
| 4983 |
MAK-UNK-8be7dca9-6_2
|
|
c1cc(c2cncc(c2c1)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl)CN |
−9.6
± 0.2
|
| 4984 |
EN300-1241327_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N5CCOCC5 |
−9.6
± 0.4
|
| 4985 |
EN300-1241327_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N5CCOCC5 |
−9.6
± 0.4
|
| 4986 |
EN300-7461023_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)N(=O)=O |
−9.6
± 0.2
|
| 4987 |
EN300-95152_1_1 |
|
CN(C1CCS(=O)(=O)CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4988 |
EN300-142412_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCCCC(=O)N |
−9.6
± 0.4
|
| 4989 |
EN300-249245_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(C(F)F)O |
−9.6
± 0.2
|
| 4990 |
EN300-141809_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC56CCS(=O)(=O)CC6 |
−9.6
± 0.3
|
| 4991 |
EN300-192809_3_2 |
|
Cn1cncc1[C@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)N(C)C |
−9.6
± 0.5
|
| 4992 |
EN300-637522_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C6CCC5(CC6)C(=O)N |
−9.6
± 0.3
|
| 4993 |
EN300-1692359_2_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@]5(CC[C@@H]5CO)CO |
−9.6
± 0.2
|
| 4994 |
EN300-215256_1_1 |
|
CC(=O)N1CC[C@@H](C1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4995 |
EN300-175186_2_2 |
|
C[C@H](CO)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.6
± 0.3
|
| 4996 |
EN300-254121_2_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](c5cnc[nH]5)O |
−9.6
± 0.4
|
| 4997 |
EN300-1987964_2_1 |
|
CS(=O)(=O)Cc1cc(no1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.6
± 0.3
|
| 4998 |
EN300-378652_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5(CC5)S(=O)(=O)N |
−9.6
± 0.4
|
| 4999 |
EN300-97453_1_1 |
|
COCCCS(=O)(=O)NCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.6
± 0.4
|
| 5000 |
EN300-31562_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5c[nH]nc5 |
−9.6
± 0.3
|