| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 4001 |
JOH-UNI-ee5ed7c8-3_1
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)CC(F)(F)F |
−4.9
± 0.4
|
| 4002 |
MIC-UNK-0a05c952-3_3
|
|
c1ccc2c(c1)cncc2N3[C@@H](C[C@H](C3=O)c4ccc(c(c4)Cl)Cl)[C@@H]5CO5 |
−4.9
± 0.3
|
| 4003 |
ALP-UNI-58319883-2_1
|
|
c1ccc2c(c1)cncc2N3CCO[C@@H](C3=O)c4cccc(c4)Cl |
−4.9
± 0.5
|
| 4004 |
ALP-UNI-3496895b-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@@H]5CCC[N@@H+]6CCO |
−4.9
± 0.3
|
| 4005 |
EDJ-MED-ce467fd5-2_2
|
|
CNC(=O)CN1C[C@H](c2cc(c(cc2C1=O)F)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−4.9
± 0.5
|
| 4006 |
PET-UNK-9bf1291a-2_1
|
|
CC(=O)N1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3cc(cc4)F)OC)Cl |
−4.9
± 0.7
|
| 4007 |
ALP-POS-966f8da6-2_1
|
|
CC(=O)N1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.93
± 0.09
|
| 4008 |
JOH-UNI-f51e3bbc-3_1
|
|
c1ccc2c(c1)c[nH]c(=O)c2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−4.9
± 0.2
|
| 4009 |
ALP-UNI-c3ef0aba-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3COCc4c3cc(cc4)Cl |
−4.9
± 0.2
|
| 4010 |
EDG-MED-90036822-108_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]([C@H](CC5CC5)O)F |
−4.9
± 0.6
|
| 4011 |
VLA-UCB-50c39ae8-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl |
−4.9
± 0.3
|
| 4012 |
RYA-UNI-6d7114fd-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(c(c4)Cl)Cl |
−4.9
± 0.6
|
| 4013 |
ROB-UNI-8bf7c232-1_1
|
|
C[C@H]1COc2cc(c(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)F)F |
−4.9
± 0.2
|
| 4014 |
KAD-UNI-8a629cb0-6_1
|
|
Cn1c(=O)c2c(cn1)CN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−4.9
± 0.4
|
| 4015 |
EDG-MED-90036822-28_1
|
|
C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−4.9
± 0.5
|
| 4016 |
ALP-POS-347519b5-3_26
|
|
CS(=O)(=O)[N@]1C[C@@H]2[C@@H]3CC[C@H]([C@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−4.9
± 0.3
|
| 4017 |
RAL-THA-8416115c-7_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)CC(=O)[O-] |
−4.9
± 0.4
|
| 4018 |
PET-UNK-162c14b2-2_2
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)CC#N |
−4.9
± 0.2
|
| 4019 |
MIC-UNK-25b9c114-2_1
|
|
c1ccc2c(c1)cncc2C(=O)N3CC(=O)N(C[C@@H]3CNS(=O)(=O)N)c4cccc(c4)Cl |
−4.9
± 0.3
|
| 4020 |
MIC-UNK-a28eba03-1_1
|
|
CC1(CN(CC[N@@H+]1C)C(=O)Cc2cncc3c2cccc3)C |
−4.9
± 0.3
|
| 4021 |
MIC-UNK-ea4eb352-2_2
|
|
CO[C@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−4.9
± 0.3
|
| 4022 |
PET-UNK-b78139fa-6_1
|
|
c1cc2c(cc1Cl)[C@@H](CS2(=O)=O)C(=O)Nc3cncc4c3cc(c(c4)F)F |
−4.9
± 0.2
|
| 4023 |
DAR-DIA-ecdbc7dd-12_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCNc4c3cc(cc4)Cl)C[NH+]5CCCCC5 |
−4.89
± 0.09
|
| 4024 |
RAL-THA-e002e396-7_1
|
|
CN(C)S(=O)(=O)C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.9
± 0.1
|
| 4025 |
ALP-POS-2da19ca7-7_2
|
|
C[C@H]1C[N@@](CC[C@@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−4.9
± 0.3
|
| 4026 |
ALP-UNI-8e43a71e-9_2
|
|
C[N@@](C1CCN(CC1)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−4.9
± 0.1
|
| 4027 |
EDG-MED-90036822-73_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H]6[N@@H+]5CCC6 |
−4.9
± 0.5
|
| 4028 |
BEN-DND-d1eb1f41-17_1
|
|
CC(C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl |
−4.9
± 0.4
|
| 4029 |
KAD-UNI-8a629cb0-27_1
|
|
C[C@@]1(CCN(C1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−4.9
± 0.5
|
| 4030 |
EDJ-MED-4c7486ba-7_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COCC[N@]5CC(F)(F)F |
−4.9
± 0.4
|
| 4031 |
EDG-MED-ba1ac7b9-29_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(Cc5ccc(cn5)O)C6CC6 |
−4.9
± 0.2
|
| 4032 |
MIC-UNK-5a93dd5f-12_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[N@]4CC[C@H](C4)[NH+]5CCCCC5 |
−4.9
± 0.3
|
| 4033 |
JOH-UNI-a38a7bdd-2_1
|
|
c1ccc2c(c1)cncc2N(CC(F)(F)F)C(=O)Cc3cccc(c3)Cl |
−4.9
± 0.3
|
| 4034 |
MAT-POS-e9e99895-3_4
|
|
C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)[C@H]4CCC(=O)NC4 |
−4.88
± 0.10
|
| 4035 |
LON-WEI-5e7d1b3e-53_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC[N@@H+](C3)Cc4ccccc4F |
−4.9
± 0.4
|
| 4036 |
JAG-UCB-571deb56-1_1
|
|
CS(=NCc1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)(=O)C |
−4.9
± 0.3
|
| 4037 |
EDJ-MED-4c7486ba-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5ccnc5 |
−4.9
± 0.5
|
| 4038 |
MIC-UNK-ea4eb352-10_3
|
|
CO[C@@]1(C[N@](Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−4.9
± 0.3
|
| 4039 |
KAD-UNI-877d7bed-20_1
|
|
C[C@@]1(CC(=NO1)C(=O)OC)COc2cc(cc3c2OCC[C@@H]3C(=O)Nc4cncc5c4cccc5)Cl |
−4.9
± 0.2
|
| 4040 |
PET-UNK-c65ea24c-13_1
|
|
CC(=O)N1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3ccc(c4)C#N)OC)Cl |
−4.9
± 0.4
|
| 4041 |
EDJ-MED-ce467fd5-2_1
|
|
CNC(=O)CN1C[C@@H](c2cc(c(cc2C1=O)F)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−4.9
± 0.3
|
| 4042 |
PET-UNK-9b23ef84-13_1
|
|
CO[C@]1(CN(Cc2c1cc(c(c2)F)Cl)c3ncon3)C(=O)Nc4cncc5c4cccc5 |
−4.9
± 0.2
|
| 4043 |
MAT-POS-4223bc15-26_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)CC(F)(F)F |
−4.9
± 0.2
|
| 4044 |
EDJ-MED-cf877e1d-1_1
|
|
CN(C)S(=O)(=O)[N@@]1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)F |
−4.9
± 0.3
|
| 4045 |
DAR-DIA-ecdbc7dd-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)Cn5cnc6c5cccc6 |
−4.9
± 0.2
|
| 4046 |
MAK-UNK-c749d764-2_3
|
|
CC[C@@H]1CCC[C@H]([C@@H]1O)CC(=O)Nc2cncc3c2cccc3 |
−4.9
± 0.3
|
| 4047 |
ALP-POS-67d5babe-4_1
|
|
CS(=O)(=O)CC1CCN(CC1)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.9
± 0.4
|
| 4048 |
ALP-UNI-8e43a71e-15_23
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5C[C@H]6[C@@H]5C[C@H](C6)C(=O)N |
−4.9
± 0.2
|
| 4049 |
BEN-DND-d1eb1f41-12_1
|
|
Cc1cccc2c1c(cnc2)N(C)C(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl |
−4.9
± 0.5
|
| 4050 |
EDG-MED-ba1ac7b9-24_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(F)(F)F)C5COC5 |
−4.9
± 0.2
|
| 4051 |
EDG-MED-ba1ac7b9-4_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[N@@H+]6CC[C@H](C6)O |
−4.9
± 0.5
|
| 4052 |
DAR-DIA-9e4459de-13_5
|
|
c1cc2c(c(c1)NCOCCOc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O |
−4.9
± 0.3
|
| 4053 |
RAL-THA-2d450e86-22_1
|
|
COc1c(cccc1Cl)CC(=O)Nc2cncc3c2cccc3 |
−4.9
± 0.5
|
| 4054 |
EDG-MED-4c68219f-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)CC[NH+]6CCOCC6 |
−4.9
± 0.6
|
| 4055 |
EDJ-MED-1981ceba-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)N5CCC5 |
−4.9
± 0.3
|
| 4056 |
MIC-UNK-f792ef5d-1_2
|
|
C[N@H+]1C[C@H]2COc3ccc(cc3[C@]2(C1)C(=O)Nc4cncc5c4cccc5)Cl |
−4.9
± 0.2
|
| 4057 |
MAT-POS-24589f88-11_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@@H](O5)C(=O)N6CCCC6 |
−4.85
± 0.09
|
| 4058 |
EDJ-MED-ee07cf00-11_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)[C@H]4CC[C@@H](O4)C(=O)N5CCCC5 |
−4.9
± 0.2
|
| 4059 |
MAK-UNK-c749d764-31_7
|
|
CC/C=C(/c1cncc2c1cccc2)\C(=O)C[C@@H]3CCC[C@H]([C@H]3O)C(F)F |
−4.9
± 0.4
|
| 4060 |
EDJ-MED-ee07cf00-13_1
|
|
Cc1nc2n(n1)C[C@@H](CC2)C(=O)N[C@@H](c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−4.8
± 0.3
|
| 4061 |
ALP-UNI-8e43a71e-15_14
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]6[C@H]5C[C@@H](C6)C(=O)N |
−4.8
± 0.3
|
| 4062 |
RAL-THA-05e671eb-19_2
|
|
COc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−4.8
± 0.4
|
| 4063 |
ALP-UNI-8e43a71e-15_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5C[C@H]6[C@@H]5C[C@@H](C6)C(=O)N |
−4.8
± 0.2
|
| 4064 |
ROB-UNI-718ed485-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)C3=CCCc4c3cc(cc4)C(F)(F)F |
−4.8
± 0.4
|
| 4065 |
MIC-UNK-ddc6ad53-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCC(F)(F)F |
−4.8
± 0.3
|
| 4066 |
MAT-POS-64942dd0-1_3
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@@H]3C[N@](Cc4c3cc(c(c4)F)Cl)S(=O)(=O)C |
−4.8
± 0.3
|
| 4067 |
MAT-POS-24589f88-16_4
|
|
Cn1ccc(n1)C[N@H+]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl |
−4.84
± 0.09
|
| 4068 |
MAT-POS-e6dd326d-5_2
|
|
CN(C)S(=O)(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.84
± 0.10
|
| 4069 |
EDJ-MED-841e0cf0-1_2
|
|
CO[C@@]1(C[N@](Cc2c1cc(c(c2)Cl)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−4.8
± 0.4
|
| 4070 |
MAT-POS-090737b9-1_1
|
|
C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−4.83
± 0.09
|
| 4071 |
JAG-UCB-f37eaa14-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](c5c4cc(cc5)Cl)CCN6CCNC6=O |
−4.8
± 0.3
|
| 4072 |
DAR-DIA-0d514e7d-16_1
|
|
C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccccc5F |
−4.8
± 0.2
|
| 4073 |
MIC-UNK-d36ab305-3_1
|
|
CC(=O)Nc1ccc(cc1)N(c2cccc(c2)Cl)C(=O)Cc3cncc4c3cccc4 |
−4.8
± 0.3
|
| 4074 |
ALP-UNI-8e43a71e-15_30
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]6[C@H]5C[C@H](C6)C(=O)N |
−4.8
± 0.3
|
| 4075 |
PET-UNK-03fd2068-11_1
|
|
CO[C@]1(C[N@@](Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3ccc(c4)F |
−4.8
± 0.3
|
| 4076 |
PET-UNK-cf04cb02-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)O[C@@H]4CC[NH2+]4 |
−4.8
± 0.4
|
| 4077 |
MAT-POS-8293a91a-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−4.8
± 0.4
|
| 4078 |
KAD-UNI-8a629cb0-46_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5ccc(=O)[nH]n5 |
−4.8
± 0.6
|
| 4079 |
MIC-UNK-460e637d-1_3
|
|
C[N@@H+]1CCN(C[C@H]1CNS(=O)(=O)N)C(=O)Cc2cncc3c2cccc3 |
−4.8
± 0.5
|
| 4080 |
EDG-MED-90036822-12_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)/C=C/C[N@@H+]5CC[C@H]5C(=O)N |
−4.8
± 0.5
|
| 4081 |
EDJ-MED-d203f206-19_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5[C@H](CCC[C@H]5CO)CO |
−4.8
± 0.3
|
| 4082 |
ALP-POS-a9ad2217-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3ccc(c(c3)Cl)Cl)NC(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCCC5 |
−4.8
± 0.3
|
| 4083 |
EDJ-MED-e9a22d5d-1_4
|
|
C#CC[N@H+]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−4.8
± 0.2
|
| 4084 |
PET-UNK-acd70dee-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nnco5 |
−4.8
± 0.2
|
| 4085 |
ALF-EVA-82cf4849-5_1
|
|
Cc1c(cc2c(n1)NCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−4.8
± 0.2
|
| 4086 |
VLA-UNK-9a7dc93f-6_1
|
|
CO[C@@H](c1ccc(c(c1)Cl)F)C(=O)Nc2cncc3c2cccc3 |
−4.8
± 0.5
|
| 4087 |
JOH-UNI-f51e3bbc-2_1
|
|
COc1c2ccccc2c(cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−4.8
± 0.2
|
| 4088 |
EDJ-MED-fcba3f31-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5n[nH]c(=O)s5 |
−4.8
± 0.3
|
| 4089 |
ALP-UNI-8e43a71e-2_16
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6[C@H]5CCC[N@H+]6CCO |
−4.81
± 0.09
|
| 4090 |
ALF-EVA-07677224-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)C(C#N)(F)F |
−4.8
± 0.3
|
| 4091 |
EDG-MED-4c68219f-16_1
|
|
C[NH2+]CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−4.8
± 0.6
|
| 4092 |
ED_-GRI-5b13fbe2-9_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](C[NH3+])c5n[n-]nn5 |
−4.8
± 0.2
|
| 4093 |
EDJ-MED-ce467fd5-4_1
|
|
CNC(=O)CN1C[C@@H](c2cc(cc(c2C1=O)F)F)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C |
−4.8
± 0.2
|
| 4094 |
VLA-MRT-8c78ee15-4_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@]4(C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O |
−4.8
± 0.2
|
| 4095 |
EDJ-MED-c82a5324-3_2
|
|
CC(C)(CNC(=O)C[N@H+]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)O |
−4.8
± 0.2
|
| 4096 |
FRA-DIA-6238d354-2_4
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)C |
−4.8
± 0.3
|
| 4097 |
EDG-MED-90036822-70_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@@](C5)(C[NH3+])F |
−4.8
± 0.5
|
| 4098 |
MAK-UNK-c749d764-1_3
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@H]([C@@H]3O)C4CC4 |
−4.8
± 0.3
|
| 4099 |
BEN-DND-d1eb1f41-3_2
|
|
c1cc2cncc(c2cc1[C@H](CO)O)NC(=O)[C@@H]3CCNc4c3cc(cc4)Cl |
−4.8
± 0.4
|
| 4100 |
BEN-DND-34fc7f90-8_2
|
|
C[N@H+]1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)Cl |
−4.8
± 0.2
|