| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 3001 |
RAL-THA-e002e396-5_1
|
|
CNS(=O)(=O)C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.0
± 0.3
|
| 3002 |
EDG-MED-ba1ac7b9-4_5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[N@@H+]6CC[C@H](C6)O |
−6.0
± 0.4
|
| 3003 |
MAT-POS-24589f88-16_3
|
|
Cn1ccc(n1)C[N@@H+]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl |
−5.98
± 0.10
|
| 3004 |
ALP-POS-a0a4abd7-3_1
|
|
Cn1c(=O)c(c[nH]c1=O)NC[C@@]2(CCOc3c2ccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.0
± 0.2
|
| 3005 |
EDJ-MED-f893e2a1-6_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH2+]C[C@H]5CC(=O)NC5 |
−6.0
± 0.2
|
| 3006 |
VLA-UNK-c65c1026-4_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CNc5c4cc(cc5)Cl)CNC3=O |
−6.0
± 0.3
|
| 3007 |
MAT-POS-61f37a1a-12_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)CC#N |
−5.98
± 0.09
|
| 3008 |
PET-UNK-b87f07d0-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)CCCNC(=O)C(F)(F)F |
−6.0
± 0.4
|
| 3009 |
MIC-UNK-5a93dd5f-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@H]5CCC[C@H]5C4 |
−6.0
± 0.2
|
| 3010 |
MAK-UNK-c749d764-19_2
|
|
c1ccc2c(c1)cncc2N(C[NH3+])C(=O)C[C@H]3CCC[C@@H]([C@@H]3O)C(F)F |
−6.0
± 0.2
|
| 3011 |
ALP-UNI-3496895b-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6[C@@H]5CCC[N@@H+]6CCO |
−6.0
± 0.3
|
| 3012 |
MAT-POS-8a69d52e-3_1
|
|
C[C@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.97
± 0.10
|
| 3013 |
MAT-POS-c7771779-2_1
|
|
CO[C@@]1(CC(=O)Nc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.0
± 0.5
|
| 3014 |
MAT-POS-61f37a1a-6_2
|
|
COc1cc(cc(c1OCC(=O)N)OC)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.97
± 0.09
|
| 3015 |
RAL-THA-05e671eb-33_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3c(ccc4)F |
−6.0
± 0.5
|
| 3016 |
JOH-UNI-3fc3434e-1_1
|
|
C#CC(=O)c1cccc2c1c(cnc2)NC(=O)Cc3cccc(c3)Cl |
−6.0
± 0.4
|
| 3017 |
EDG-MED-4c68219f-1_1
|
|
C[C@@H](CN1C(=O)[C@@H](CO1)[NH3+])CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.0
± 0.4
|
| 3018 |
DAR-DIA-0d514e7d-25_1
|
|
C[C@H]1COc2c(cc(cc2OC)Cl)[C@]1(C)C(=O)Nc3cncc4c3cccc4 |
−6.0
± 0.3
|
| 3019 |
ROB-UNI-322e8f70-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3c4cc(ccc4NC(=O)N3)Cl |
−6.0
± 0.2
|
| 3020 |
EDJ-MED-ba7e64f2-2_1
|
|
c1ccc2c(c1)c(c[nH]c2=O)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−6.0
± 0.4
|
| 3021 |
ERI-UCB-8d4e5055-6_1
|
|
c1cc2c(cc1C[NH+]3CC4(C3)C[NH2+]C4)cncc2NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl |
−6.0
± 0.2
|
| 3022 |
DAR-DIA-0587064e-25_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(cc4OCc5ccc(cc5Cl)F)Cl |
−6.0
± 0.1
|
| 3023 |
MAK-UNK-c749d764-8_4
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@H]3CCC[C@H]([C@@H]3O)C(F)F |
−6.0
± 0.5
|
| 3024 |
MIC-UNK-d854bf4c-3_2
|
|
CC(=O)N1CCC2(CC1)CCN(C(=O)[C@H]2c3cccc(c3)Cl)c4cncc5c4cccc5 |
−5.97
± 0.08
|
| 3025 |
ED_-GRI-5b13fbe2-75_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCn5cc(cn5)NC6CC6 |
−6.0
± 0.3
|
| 3026 |
MIC-UNK-8758c41d-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CNC(=O)c4c3cc(c(c4)Cl)Cl |
−6.0
± 0.2
|
| 3027 |
MAT-POS-4223bc15-16_8
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[N@]5CCC[C@@H]5CO |
−6.0
± 0.2
|
| 3028 |
ERI-UCB-b3e6b0c2-13_1
|
|
C[N@@]1C[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3ccc(c4)CN5CC[NH2+]CC5 |
−5.96
± 0.10
|
| 3029 |
EDJ-MED-7587a9ee-4_1
|
|
CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(CCO3)c4cncc5c4cccc5)Cl |
−6.0
± 0.2
|
| 3030 |
ALP-POS-347519b5-1_62
|
|
CS(=O)(=O)[N@]1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]2[C@H](C1)C(=O)Nc4cncc5c4cccc5 |
−6.0
± 0.3
|
| 3031 |
ALP-UNI-76695c4f-6_1
|
|
CC(=O)N1C[C@H]2C[C@@H]1CN2C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−6.0
± 0.3
|
| 3032 |
EDJ-MED-40433386-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CC5)C[NH3+] |
−6.0
± 0.3
|
| 3033 |
MAT-POS-45b13633-2_1
|
|
C[NH2+]C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.96
± 0.10
|
| 3034 |
MAK-UNK-c749d764-6_4
|
|
C[C@H](C[NH2+]CCCO)[C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
−6.0
± 0.2
|
| 3035 |
MAK-UNK-ffc90da7-1_3
|
|
C[C@@H](C[NH2+]CCCO)[C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
−6.0
± 0.3
|
| 3036 |
DAR-DIA-9e4459de-11_1
|
|
c1cc2c(c(c1)NCOCCOCCOc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@@H]7CCC(=O)NC7=O)O |
−6.0
± 0.2
|
| 3037 |
MAT-POS-64942dd0-2_1
|
|
CS(=O)(=O)[N@@]1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl)F |
−6.0
± 0.3
|
| 3038 |
ALF-EVA-07677224-5_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)c5cccnn5 |
−6.0
± 0.3
|
| 3039 |
MAT-POS-64942dd0-4_1
|
|
C[C@@]1(C[N@@](Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−6.0
± 0.2
|
| 3040 |
MIC-UNK-9582b2c5-2_7
|
|
CC(=O)N1CC[C@@H]2[C@H](C1)C[C@H](C(=O)N2c3cccc(c3)Cl)c4cncc5c4cccc5 |
−6.0
± 0.1
|
| 3041 |
EDJ-MED-93390d0c-1_2
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@H]3CCS(=O)(=O)c4c3cc(cc4)Cl |
−6.0
± 0.2
|
| 3042 |
PET-UNK-9b23ef84-3_1
|
|
CC(=O)N1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)F |
−6.0
± 0.3
|
| 3043 |
DAR-DIA-0587064e-15_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4OCC5CC5)Cl |
−5.95
± 0.09
|
| 3044 |
MAT-POS-e9e99895-6_2
|
|
C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)CN4CCN(C4=O)C5CC5 |
−5.95
± 0.10
|
| 3045 |
ALF-EVA-07677224-4_3
|
|
C[C@@H]1[C@H](CCO1)S(=O)(=O)[N@@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−6.0
± 0.2
|
| 3046 |
EDJ-MED-cf4b0d25-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[NH2+]C[C@@H]4CC[C@@H](O4)C(=O)N5CCCC5 |
−5.95
± 0.09
|
| 3047 |
EDG-MED-90036822-42_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(C5)[NH+]6CC(C6)O |
−6.0
± 0.3
|
| 3048 |
RAL-THA-8416115c-2_4
|
|
CN1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.0
± 0.3
|
| 3049 |
BEN-DND-c852c98b-3_1
|
|
CC(C)(c1ccc2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)O |
−5.9
± 0.2
|
| 3050 |
MIC-UNK-5a93dd5f-3_9
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[N@@H+]4CC[C@@H]5CCCC[C@H]5C4 |
−5.9
± 0.3
|
| 3051 |
RAL-THA-8416115c-4_2
|
|
CCCN1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.9
± 0.3
|
| 3052 |
RAL-THA-05e671eb-28_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3c(c(cc4)Cl)F |
−5.9
± 0.6
|
| 3053 |
VLA-UNK-5b0345c3-2_1
|
|
c1ccc(cc1)COC(=O)N2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−5.9
± 0.2
|
| 3054 |
ALP-POS-a0a4abd7-4_1
|
|
Cn1cc(c(=O)[nH]c1=O)NC[C@@]2(CCOc3c2ccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.9
± 0.2
|
| 3055 |
MIC-UNK-ddc6ad53-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(F)(F)F |
−5.9
± 0.3
|
| 3056 |
ED_-GRI-5b13fbe2-61_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)[C@H]6CC[NH2+]C6 |
−5.9
± 0.5
|
| 3057 |
EDJ-MED-e4b030d8-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3Cc4cc(ccc4OC3)Cl |
−5.94
± 0.09
|
| 3058 |
PET-UNK-03fd2068-6_1
|
|
CS(=O)(=O)[N@@]1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3ccc(c4)F)Cl)F |
−5.9
± 0.2
|
| 3059 |
EDJ-MED-670ad2ee-9_1
|
|
CNS(=O)(=O)[N@@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl |
−5.9
± 0.3
|
| 3060 |
MIC-UNK-460e637d-2_8
|
|
C[N@H+]1CCN(C[C@H]1CO[C@H]2CC(=O)N2)C(=O)Cc3cncc4c3cccc4 |
−5.9
± 0.4
|
| 3061 |
EDJ-MED-6bf93aa8-1_1
|
|
CNS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC |
−5.9
± 0.2
|
| 3062 |
ALP-UNI-dbbfd3db-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5ccc(cc5)C#N |
−5.9
± 0.2
|
| 3063 |
BEN-DND-d1eb1f41-16_1
|
|
c1ccc2c(c1)cncc2N[C@@H](Cc3ccc(c(c3)Cl)Cl)C(F)(F)F |
−5.9
± 0.2
|
| 3064 |
PET-UNK-3bb57da2-1_1
|
|
CS(=O)(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.9
± 0.5
|
| 3065 |
ALF-EVA-82cf4849-3_2
|
|
c1cc2cncc(c2cc1Cl)NC(=O)[C@]3(CCCOc4c3cc(cc4)Cl)O |
−5.9
± 0.2
|
| 3066 |
RAL-THA-e002e396-12_2
|
|
CCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.9
± 0.6
|
| 3067 |
ED_-GRI-5b13fbe2-65_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCN5CC[NH2+]CC5 |
−5.9
± 0.2
|
| 3068 |
MAT-POS-43c25e9b-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC(=O)Nc4c3cc(cc4)Cl |
−5.9
± 0.3
|
| 3069 |
MIC-UNK-ea4eb352-1_1
|
|
CO[C@@]1(CCS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.9
± 0.4
|
| 3070 |
VLA-UCB-34f3ed0c-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CCc5c[nH]c(=O)o5 |
−5.9
± 0.6
|
| 3071 |
ALP-UNI-dbbfd3db-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccc(cc5)n6cnnn6 |
−5.93
± 0.08
|
| 3072 |
MAT-POS-e9e99895-13_8
|
|
C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)[C@H]4CC[N@H+](C4)C |
−5.93
± 0.10
|
| 3073 |
DAR-DIA-f6ee7aeb-6_1
|
|
c1ccc2c(c1)cncc2N3C[C@@H]([C@@H](CC3=O)c4cccc(c4)Cl)c5c[nH]c(=O)[nH]c5=O |
−5.9
± 0.3
|
| 3074 |
EDG-MED-971238d3-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)[O-] |
−5.9
± 0.3
|
| 3075 |
MIC-UNK-ddc6ad53-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)OCCC(F)(F)F |
−5.9
± 0.3
|
| 3076 |
MAR-UCB-6ab2ec87-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNc4c3cc(cc4)Cl |
−5.9
± 0.3
|
| 3077 |
EDJ-MED-fcba3f31-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5(COC5)CO |
−5.9
± 0.6
|
| 3078 |
ALF-EVA-650655fc-4_1
|
|
C[N@@H+]1CC[C@@H](C1)CCN(c2cc(cc(c2)Cl)O[C@@H]3CC(=O)N3)C(=O)Nc4cncc5c4cccc5 |
−5.9
± 0.2
|
| 3079 |
DAR-DIA-0d514e7d-32_17
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3[C@@H]4C[C@@H]4CO[C@@H]5[C@H]3C=C(C=C5)Cl |
−5.9
± 0.3
|
| 3080 |
BEN-DND-d1eb1f41-14_1
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)N[C@@H](Cc3ccc(c(c3)Cl)Cl)C(F)(F)F |
−5.9
± 0.3
|
| 3081 |
MIC-UNK-ea4eb352-11_2
|
|
CO[C@]1(CCNc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.9
± 0.3
|
| 3082 |
PET-UNK-b566c0b0-8_2
|
|
CN(C)S(=O)(=O)[N@]1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3cc(cc4)F)OC)Cl |
−5.9
± 0.3
|
| 3083 |
EDJ-MED-fcba3f31-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H](CF)O |
−5.9
± 0.3
|
| 3084 |
PET-UNK-cf04cb02-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)O[C@H]4CC[NH2+]4 |
−5.9
± 0.2
|
| 3085 |
DAR-DIA-0587064e-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(c(c(c3)Cl)F)OCc4ccc(cc4Cl)F |
−5.93
± 0.08
|
| 3086 |
EDG-MED-90036822-37_2
|
|
C[C@H]([C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O |
−5.9
± 0.4
|
| 3087 |
EDJ-MED-1b5395f9-1_3
|
|
COc1ccc2cncc(c2c1)NC(=O)[C@@H]3C[N@](Cc4c3cc(c(c4)Cl)Cl)S(=O)(=O)C |
−5.9
± 0.2
|
| 3088 |
ALF-EVA-0b412456-2_2
|
|
COc1ccc2cncc(c2c1)NC(=O)Cc3cc(cc(c3)Cl)O[C@H]4CC(=O)N4 |
−5.92
± 0.08
|
| 3089 |
MAT-POS-e9e99895-13_5
|
|
C[C@@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)[C@@H]4CC[N@H+](C4)C |
−5.92
± 0.10
|
| 3090 |
MIC-UNK-5a93dd5f-2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[NH+]4C[C@H]5CCCC[C@@H]5C4 |
−5.9
± 0.3
|
| 3091 |
EDG-MED-ba1ac7b9-26_1
|
|
C[C@@H]1C[N@@H+]([C@H](CN1C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C)CCO |
−5.9
± 0.3
|
| 3092 |
EDJ-MED-4c7486ba-10_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COCC[N@]5CC(F)(F)F |
−5.9
± 0.5
|
| 3093 |
MAT-POS-24589f88-10_2
|
|
Cn1cc(n2c1c(cn2)C#N)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.92
± 0.10
|
| 3094 |
MAT-POS-4223bc15-13_12
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@@H]5CC[C@H]5O |
−5.9
± 0.2
|
| 3095 |
MAT-POS-4223bc15-9_8
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CCC[C@@H]5O |
−5.9
± 0.2
|
| 3096 |
MIC-UNK-ddc6ad53-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)OCC(F)(F)F |
−5.9
± 0.3
|
| 3097 |
MIC-UNK-54748b58-1_3
|
|
CNC(=O)C[N@@]1C[C@H](c2cc(ccc2S1(=O)=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.9
± 0.4
|
| 3098 |
ALP-POS-347519b5-1_16
|
|
CS(=O)(=O)[N@]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5 |
−5.91
± 0.08
|
| 3099 |
MIC-UNK-5a93dd5f-7_1
|
|
CC(=O)N(C)[C@@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.9
± 0.4
|
| 3100 |
EDJ-MED-f893e2a1-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]C5CCOCC5 |
−5.9
± 0.2
|