| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 5001 |
RAL-THA-2d450e86-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3ccc(c(c3)F)Cl |
−8.6
± 0.2
|
| 5002 |
EN300-214189_1_1_1 |
|
Cn1c(cnn1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.3
|
| 5003 |
EN300-214189_1_1_1 |
|
Cn1c(cnn1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.3
|
| 5004 |
EN300-383904_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCNC(=O)CO |
−8.6
± 0.3
|
| 5005 |
EN300-15368_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccccc5OCC(=O)N |
−8.6
± 0.3
|
| 5006 |
EN300-1265071_2_1_1 |
|
CN(Cc1cn[nH]n1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.3
|
| 5007 |
EN300-4698402_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5C[C@H]5F |
−8.6
± 0.2
|
| 5008 |
EDG-MED-90036822-89_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCC6(C[NH2+]C6)CO5 |
−8.6
± 0.3
|
| 5009 |
EN300-72272_2_1_1 |
|
C[C@@H]([C@@H](C)O)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.2
|
| 5010 |
EN300-39405_1_1_1 |
|
C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C |
−8.6
± 0.3
|
| 5011 |
EN300-304378_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@H](C5)F)O |
−8.6
± 0.3
|
| 5012 |
ED_-GRI-5b13fbe2-50_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@@]5(C#N)C(=O)[O-] |
−8.6
± 0.3
|
| 5013 |
DAR-DIA-0d514e7d-7_1
|
|
C[C@H]1COc2c(cc(cc2NC3CC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−8.6
± 0.1
|
| 5014 |
EN300-104592_3_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC[C@H]5CCC(=O)N5 |
−8.6
± 0.4
|
| 5015 |
EN300-132615_2_2_1 |
|
C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N |
−8.6
± 0.4
|
| 5016 |
EN300-91609_1_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H]6[C@H]5C6 |
−8.6
± 0.3
|
| 5017 |
EN300-31185_1_1_1 |
|
CC(C)C(=O)NCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.3
|
| 5018 |
EN300-239233_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCn5c(=O)cccn5 |
−8.6
± 0.2
|
| 5019 |
EN300-7003350_2_1_1 |
|
CCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.2
|
| 5020 |
EN300-7003350_2_1_1 |
|
CCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.2
|
| 5021 |
EN300-7003350_2_1_1 |
|
CCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.6
± 0.2
|
| 5022 |
EN300-50639_1_1_1 |
|
C[C@@H](C(=O)N(C)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cccn5 |
−8.6
± 0.3
|
| 5023 |
ED_-GRI-5b13fbe2-58_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cc(nn5)[C@@H]6CCC[NH2+]6 |
−8.5
± 0.4
|
| 5024 |
EN300-190026_2_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CO)[C@H]5CCCO5 |
−8.5
± 0.3
|
| 5025 |
EN300-02015_3_1_1 |
|
COCCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.3
|
| 5026 |
EN300-36855_1_1_2 |
|
CN(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)c5cnccn5 |
−8.5
± 0.2
|
| 5027 |
ED_-GRI-5b13fbe2-2_2
|
|
C[C@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH2+]Cc5cc(no5)C(=O)[O-] |
−8.5
± 0.4
|
| 5028 |
RAL-THA-8416115c-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)Cc5[nH]ccn5 |
−8.5
± 0.3
|
| 5029 |
MIC-UNK-bcd487e9-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(C[C@@H]3CCCO3)c4cccc(c4)Cl |
−8.5
± 0.4
|
| 5030 |
EN300-295905_1_3_1 |
|
C[C@@H]1CN(C[C@H](O1)C(=O)N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.3
|
| 5031 |
EN300-214038_1_1_1 |
|
C[C@@H](CN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.5
± 0.4
|
| 5032 |
EN300-1708882_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@@H]5COC[C@H]5O |
−8.5
± 0.4
|
| 5033 |
EN300-716218_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCNC(=O)C56CC6 |
−8.5
± 0.4
|
| 5034 |
EN300-866702_1_1_1 |
|
C=CCOC(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.3
|
| 5035 |
EN300-07127_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H]5C(=O)N |
−8.5
± 0.3
|
| 5036 |
EDJ-MED-40433386-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H](C5CCC5)O |
−8.5
± 0.3
|
| 5037 |
EN300-624143_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CC56CC(C6)O |
−8.5
± 0.2
|
| 5038 |
MIC-UNK-cdc2493e-21_1
|
|
CC(=O)N(C)[C@@H]1CC[C@@H](C1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.6
|
| 5039 |
EN300-1709101_2_1_1 |
|
Cc1nc(nn1C)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.2
|
| 5040 |
EN300-108507_1_2_1 |
|
CO[C@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.3
|
| 5041 |
EN300-6737762_3_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCCNC5=O |
−8.5
± 0.3
|
| 5042 |
MAT-POS-8a69d52e-4_1
|
|
C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl |
−8.5
± 0.2
|
| 5043 |
EN300-59386_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(s5)S(=O)(=O)N |
−8.5
± 0.3
|
| 5044 |
EDG-MED-4c68219f-13_1
|
|
C[NH+](C)CCCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.4
|
| 5045 |
EDJ-MED-ee07cf00-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)Cn4c(=O)c(=O)n5c(n4)CCC5 |
−8.5
± 0.5
|
| 5046 |
EN300-1968342_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H](CF)O |
−8.5
± 0.3
|
| 5047 |
EN300-1968342_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H](CF)O |
−8.5
± 0.3
|
| 5048 |
MAT-POS-89e65850-1_2
|
|
CO[C@]1(CC(=O)Nc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.3
|
| 5049 |
EN300-74965_1_1_1 |
|
Cc1c2c(=O)cc([nH]c2n(n1)C)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.5
± 0.3
|
| 5050 |
MAK-UNK-ffc90da7-2_3
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@H]([C@@H]3O)Cl |
−8.5
± 0.3
|
| 5051 |
MAK-UNK-c749d764-2_5
|
|
CC[C@@H]1CCC[C@@H]([C@H]1O)CC(=O)Nc2cncc3c2cccc3 |
−8.5
± 0.4
|
| 5052 |
MIC-UNK-cdc2493e-8_6
|
|
c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)[C@H]4CC[C@@H]5CCCC[C@H]5C4 |
−8.5
± 0.4
|
| 5053 |
EN300-181492_4_2_1 |
|
C=C[C@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.5
± 0.4
|
| 5054 |
EN300-122319_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c(=O)[nH]c(=O)[nH]n5 |
−8.5
± 0.2
|
| 5055 |
EN300-201346_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COC(=O)N5 |
−8.5
± 0.2
|
| 5056 |
LEE-CAM-7ab9b158-1_8
|
|
C[NH+](C)[C@H]1COC[C@H]1OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.4
|
| 5057 |
EN300-6743783_1_1_1 |
|
COC[C@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.4
|
| 5058 |
VLA-UCB-05e51b3f-15_1
|
|
c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)CCl |
−8.5
± 0.4
|
| 5059 |
EN300-360157_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@]5(CCOC5)O |
−8.5
± 0.3
|
| 5060 |
EN300-202922_2_1_1 |
|
C[C@@H]([C@@](C)(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O |
−8.5
± 0.3
|
| 5061 |
EN300-303908_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@]6(C[C@H]6C5)O |
−8.5
± 0.2
|
| 5062 |
EDG-MED-ba1ac7b9-25_6
|
|
C[C@H]1CN(CC[N@@H+]1CCO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.6
|
| 5063 |
EN300-704039_1_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H](C56CCOCC6)O |
−8.5
± 0.4
|
| 5064 |
EN300-102864_3_1_1 |
|
Cc1cc(cc(=O)n1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)[O-] |
−8.5
± 0.3
|
| 5065 |
BEN-DND-a7517465-5_1
|
|
c1cc2cncc(c2c(c1)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−8.52
± 0.05
|
| 5066 |
MAT-POS-43c25e9b-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC(=O)Nc4c3cc(cc4)Cl |
−8.5
± 0.3
|
| 5067 |
ED_-GRI-5b13fbe2-10_1
|
|
C[C@@](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(c5n[n-]nn5)[NH3+] |
−8.5
± 0.3
|
| 5068 |
EDG-MED-ba1ac7b9-32_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)C6CCOCC6 |
−8.5
± 0.4
|
| 5069 |
MIC-UNK-91acba05-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCCc4c3cc(cc4)Cl |
−8.5
± 0.2
|
| 5070 |
ALP-UNI-0676e700-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc6nnnn6c5 |
−8.5
± 0.4
|
| 5071 |
EN300-6486763_1_2_1 |
|
C[C@H]1C2(CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)OC(=O)N1 |
−8.5
± 0.3
|
| 5072 |
EN300-87334_4_1_1 |
|
Cn1c(ncn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.3
|
| 5073 |
EN300-1915260_2_1_1 |
|
COC[C@@H](COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.5
± 0.4
|
| 5074 |
EN300-1720418_2_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5CCON5 |
−8.5
± 0.3
|
| 5075 |
RAL-THA-4aa06b95-7_1
|
|
COCCN1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.4
|
| 5076 |
EN300-7463171_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCS(=O)(=O)CCO |
−8.5
± 0.5
|
| 5077 |
EDJ-MED-e4b030d8-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3c(c(cc4)Cl)Cl |
−8.52
± 0.08
|
| 5078 |
EN300-307592_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(C5)O |
−8.5
± 0.3
|
| 5079 |
EN300-12204_2_1_1 |
|
CCCNC(=O)CN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.4
|
| 5080 |
RAL-THA-8416115c-10_3
|
|
CNC(=O)CN1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.3
|
| 5081 |
EN300-139167_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5COCCO5 |
−8.5
± 0.3
|
| 5082 |
EN300-139167_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5COCCO5 |
−8.5
± 0.3
|
| 5083 |
EN300-139167_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5COCCO5 |
−8.5
± 0.3
|
| 5084 |
RAL-THA-4aa06b95-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)CCO |
−8.5
± 0.3
|
| 5085 |
EN300-83827_1_1_1 |
|
CS(=O)(=O)[C@@H]1CSCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.3
|
| 5086 |
EN300-05754_2_1_1 |
|
C[C@@H](C(=O)N1CCOCC1)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.3
|
| 5087 |
ALF-EVA-0b412456-3_1
|
|
Cc1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)O[C@@H]4CC(=O)N4 |
−8.5
± 0.4
|
| 5088 |
EN300-1988306_4_1_1 |
|
CS(=O)(=O)CCC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.4
|
| 5089 |
EN300-160080_2_1_1 |
|
CS(=O)(=O)[C@@H]1NN[C@@H](S1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.4
|
| 5090 |
EN300-383904_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCNC(=O)CO |
−8.5
± 0.3
|
| 5091 |
DAR-DIA-0cde14eb-52_1
|
|
c1ccc2c(c1)cncc2NC(=O)Nc3cccc(c3)C4(CC4)F |
−8.5
± 0.4
|
| 5092 |
LEE-CAM-7ab9b158-1_6
|
|
C[NH+](C)[C@H]1COC[C@@H]1OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.4
|
| 5093 |
EN300-1387104_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCS5(=O)=O |
−8.5
± 0.4
|
| 5094 |
EN300-6758671_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@@H](C[C@H]5O)O |
−8.5
± 0.3
|
| 5095 |
EDJ-MED-d08626de-5_2
|
|
CO[C@]1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.5
± 0.1
|
| 5096 |
EDJ-MED-ee07cf00-13_1
|
|
Cc1nc2n(n1)C[C@@H](CC2)C(=O)N[C@@H](c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.5
± 0.4
|
| 5097 |
EN300-210089_1_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5[C@H]6[C@@H]5COC6 |
−8.5
± 0.2
|
| 5098 |
ALP-UNI-3496895b-11_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)Cc6n[n-]nn6 |
−8.5
± 0.4
|
| 5099 |
EN300-79180_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5CCOCC5)O |
−8.5
± 0.3
|
| 5100 |
ALP-POS-ddb41b15-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)Oc3cccc(c3)Cl |
−8.5
± 0.2
|