| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 2201 |
MIC-UNK-5a93dd5f-3_5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[N@@H+]4CC[C@H]5CCCC[C@@H]5C4 |
−6.7
± 0.3
|
| 2202 |
ALP-UNI-3496895b-15_5
|
|
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 |
−6.7
± 0.6
|
| 2203 |
ALP-POS-347519b5-3_42
|
|
CS(=O)(=O)[N@]1C[C@@H]2[C@@H]3CC[C@H]([C@@H]2[C@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−6.7
± 0.4
|
| 2204 |
ALP-POS-347519b5-2_45
|
|
CO[C@@]1(C[N@@](C[C@H]2[C@H]1[C@@H]3CC[C@H]2C3)S(=O)(=O)C)C(=O)Nc4cncc5c4cccc5 |
−6.7
± 0.4
|
| 2205 |
MAT-POS-4223bc15-8_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@@H]5CCOC5 |
−6.68
± 0.10
|
| 2206 |
LON-WEI-5e7d1b3e-46_1
|
|
CCOC(=O)N1CCC(CC1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C |
−6.7
± 0.4
|
| 2207 |
KAD-UNI-877d7bed-19_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4OCc5cc(on5)S(=O)(=O)N)Cl |
−6.7
± 0.2
|
| 2208 |
EDJ-MED-1b5395f9-1_4
|
|
COc1ccc2cncc(c2c1)NC(=O)[C@H]3C[N@](Cc4c3cc(c(c4)Cl)Cl)S(=O)(=O)C |
−6.7
± 0.2
|
| 2209 |
PET-UNK-4dc48bbe-6_1
|
|
c1ccc2c(c1)cncc2n3c(c([nH]c3=O)c4cccc(c4)Cl)[O-] |
−6.7
± 0.4
|
| 2210 |
ED_-GRI-5b13fbe2-59_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC[NH2+]CCCO |
−6.7
± 0.7
|
| 2211 |
DAR-DIA-6a508060-13_2
|
|
CS(=O)(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.3
|
| 2212 |
RAL-THA-05e671eb-29_1
|
|
Cc1c(ccc2c1[C@@H](CCO2)C(=O)Nc3cncc4c3cccc4)Cl |
−6.7
± 0.3
|
| 2213 |
MAT-POS-e69ad64a-2_1
|
|
C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3COc4c3cc(cc4)Cl |
−6.68
± 0.09
|
| 2214 |
RAL-THA-2d450e86-33_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cn3)Cl |
−6.68
± 0.10
|
| 2215 |
MIC-UNK-5a93dd5f-3_13
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[N@@H+]4CC[C@H]5CCCC[C@H]5C4 |
−6.7
± 0.1
|
| 2216 |
ALP-POS-477dc5b7-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CCC5CC5 |
−6.67
± 0.09
|
| 2217 |
MIC-UNK-6ab519a7-1_2
|
|
CC(=O)N1CC[NH+](CC1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.1
|
| 2218 |
EDJ-MED-923a35c2-5_1
|
|
CO[C@@]1(C[N@@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F |
−6.7
± 0.3
|
| 2219 |
MAT-POS-4223bc15-41_1
|
|
Cn1cncc1C(=O)N2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−6.67
± 0.07
|
| 2220 |
KAD-UNI-877d7bed-3_1
|
|
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3ccc(=O)[nH]c3=O)COc4cc(cc5c4OCC[C@@H]5C(=O)Nc6cncc7c6cccc7)Cl)C |
−6.67
± 0.10
|
| 2221 |
JOH-UNI-21fd6073-2_2
|
|
c1ccc(cc1)S(=O)(=O)N(CC#N)C(=O)CCN(c2cncc3c2cccc3)C(=O)[C@H]4COc5c4cc(cc5)Cl |
−6.67
± 0.09
|
| 2222 |
MIC-UNK-5a93dd5f-5_1
|
|
CC(=O)N[C@@H]1CC[N@@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.3
|
| 2223 |
MAT-POS-4223bc15-14_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5C[NH2+]C5 |
−6.7
± 0.2
|
| 2224 |
EDG-MED-ba1ac7b9-27_8
|
|
C[C@H]1C[N@H+](CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CCO |
−6.67
± 0.02
|
| 2225 |
MIC-UNK-5a93dd5f-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[N@@H+]4CC[C@@H]5CCCC[C@@H]5C4 |
−6.7
± 0.3
|
| 2226 |
MAK-UNK-ffc90da7-1_1
|
|
C[C@@H](C[NH2+]CCCO)[C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
−6.7
± 0.1
|
| 2227 |
ERI-UCB-fbdd3ea1-27_1
|
|
CC(C)(C)c1cc(no1)N([C@@H](c2cncc3c2cccc3)C(=O)NC(C)(C)C)C(=O)C=C |
−6.7
± 0.1
|
| 2228 |
MAT-POS-4223bc15-11_6
|
|
C[C@H]1CC[N@@](C1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl |
−6.67
± 0.10
|
| 2229 |
ALP-UNI-c3ef0aba-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3COCc4c3cccc4Cl |
−6.67
± 0.09
|
| 2230 |
EDJ-MED-139368ae-5_1
|
|
C[NH+]1CCN(CC1)S(=O)(=O)[N@@]2Cc3ccccc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5 |
−6.7
± 0.3
|
| 2231 |
MIC-UNK-50cce87d-6_2
|
|
c1cc(cc(c1)Cl)[C@H]2CCN(C2=O)c3cncc4c3c(ccc4)Cl |
−6.7
± 0.1
|
| 2232 |
MAT-POS-4223bc15-1_1
|
|
CNS(=O)(=O)[N@@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−6.66
± 0.09
|
| 2233 |
ALF-EVA-82cf4849-4_2
|
|
CO[C@]1(CCCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)Cl |
−6.7
± 0.2
|
| 2234 |
RAL-THA-8416115c-8_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)CC(=O)N |
−6.7
± 0.4
|
| 2235 |
EDG-MED-90036822-68_2
|
|
C[N@H+](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C5CC5 |
−6.7
± 0.5
|
| 2236 |
MAT-POS-61f37a1a-7_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cn(nn5)C[C@H]6CCOC6 |
−6.66
± 0.10
|
| 2237 |
MAT-POS-61f37a1a-9_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cnc(nc5)N6CCOCC6 |
−6.66
± 0.09
|
| 2238 |
RAL-THA-2d450e86-1_1
|
|
c1ccc(cc1)CC(=O)Nc2cncc3c2cccc3 |
−6.66
± 0.10
|
| 2239 |
MIC-UNK-50cce87d-12_1
|
|
COc1cccc2c1c(cnc2)N3CCC[C@@H](C3=O)c4cccc(c4)Cl |
−6.7
± 0.4
|
| 2240 |
ALP-POS-fe871b40-4_2
|
|
CO[C@]1(CCNc2c1cc(cc2C#N)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.7
|
| 2241 |
DAR-DIA-0f2f46c9-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC[N@@](c4c3cc(cc4)Cl)S(=O)(=O)N |
−6.7
± 0.2
|
| 2242 |
PET-UNK-6c2be958-1_1
|
|
c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)CCl |
−6.7
± 0.2
|
| 2243 |
DAR-DIA-0587064e-16_2
|
|
COCCOc1cc(cc2c1NCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−6.65
± 0.07
|
| 2244 |
MAT-POS-61f37a1a-4_1
|
|
CC(C)(C)OC(=O)NCc1c(n(nn1)C)C[NH2+]C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.65
± 0.09
|
| 2245 |
EDG-MED-90036822-107_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(c[nH]5)F |
−6.6
± 0.4
|
| 2246 |
ALP-UNI-0676e700-16_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5C[C@H]6CC[C@@H](C5)S6(=O)=O |
−6.6
± 0.3
|
| 2247 |
VLA-UNK-9a7dc93f-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC(=O)Nc4c3cc(c(c4F)F)Cl |
−6.6
± 0.2
|
| 2248 |
DAR-DIA-0d514e7d-11_1
|
|
C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)C#N |
−6.6
± 0.2
|
| 2249 |
MIC-UNK-cdc2493e-9_1
|
|
CC(=O)NC1CCC(CC1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.6
± 0.3
|
| 2250 |
MIC-UNK-5a93dd5f-7_7
|
|
CC(=O)N(C)[C@@H]1CC[N@H+](C1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.6
± 0.3
|
| 2251 |
EDG-MED-4c68219f-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCC[NH+]5CC6(C5)COC6 |
−6.6
± 0.5
|
| 2252 |
ED_-GRI-5b13fbe2-15_1
|
|
C[N@](CC[NH3+])CCOCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.6
± 0.1
|
| 2253 |
MAT-POS-66a736cf-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCS(=O)(=O)c4c3cc(cc4)Cl |
−6.6
± 0.3
|
| 2254 |
KAD-UNI-877d7bed-20_4
|
|
C[C@]1(CC(=NO1)C(=O)OC)COc2cc(cc3c2OCC[C@H]3C(=O)Nc4cncc5c4cccc5)Cl |
−6.6
± 0.1
|
| 2255 |
EDJ-MED-1b5395f9-1_2
|
|
COc1ccc2cncc(c2c1)NC(=O)[C@H]3C[N@@](Cc4c3cc(c(c4)Cl)Cl)S(=O)(=O)C |
−6.6
± 0.3
|
| 2256 |
ALP-POS-7c6e02c7-2_1
|
|
CNC(=O)Nc1ccc(nc1)N(Cc2ccc(c(c2)Cl)Cl)C(=O)Cc3cncc4c3cccc4 |
−6.6
± 0.1
|
| 2257 |
ALP-UNI-58319883-2_2
|
|
c1ccc2c(c1)cncc2N3CCO[C@H](C3=O)c4cccc(c4)Cl |
−6.6
± 0.2
|
| 2258 |
RAL-THA-2d450e86-35_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cnc3)F |
−6.6
± 0.4
|
| 2259 |
MAK-UNK-c749d764-3_4
|
|
CC1(C[NH2+]C1)OCN(c2cncc3c2cccc3)C(=O)C[C@H]4CCC[C@H]([C@@H]4O)C(F)F |
−6.6
± 0.3
|
| 2260 |
MAK-UNK-c749d764-4_1
|
|
CS[C@@H]1CCC[C@@H]([C@@H]1O)CC(=O)Nc2cncc3c2cccc3 |
−6.6
± 0.3
|
| 2261 |
MAT-POS-932d1078-1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COCC[N@@]5CC(F)(F)F |
−6.64
± 0.07
|
| 2262 |
MAT-POS-61f37a1a-5_1
|
|
Cn1cc(nn1)C[N@@H+]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl |
−6.64
± 0.09
|
| 2263 |
WIL-UNI-0732ac76-2_4
|
|
C[C@](CN([C@H](c1cncc2c1cccc2)C(=O)Nc3ccccc3)C(=O)c4ccncc4)(c5ccccc5F)C(=O)OC |
−6.6
± 0.4
|
| 2264 |
RAL-THA-05e671eb-33_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3c(ccc4)F |
−6.6
± 0.4
|
| 2265 |
MAT-POS-e6dd326d-2_1
|
|
C[NH2+]C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.6
± 0.1
|
| 2266 |
MAT-POS-64942dd0-3_3
|
|
CS(=O)(=O)[N@@]1Cc2cc(c(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)F |
−6.6
± 0.2
|
| 2267 |
ED_-GRI-5b13fbe2-48_1
|
|
C[C@@H](C[NH2+]CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−6.6
± 0.4
|
| 2268 |
EDG-MED-90036822-76_1
|
|
c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)NC(=O)[C@H]5C[C@@](C5)(F)CO)cc1 |
−6.6
± 0.4
|
| 2269 |
ALP-UNI-3735e77e-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(c(c4)Cl)Cl |
−6.63
± 0.10
|
| 2270 |
MAT-POS-4223bc15-8_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@@H]5CCOC5 |
−6.63
± 0.09
|
| 2271 |
EDJ-MED-f893e2a1-9_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH2+]C5CCOCC5 |
−6.6
± 0.1
|
| 2272 |
MIC-UNK-5a93dd5f-7_3
|
|
CC(=O)N(C)[C@@H]1CC[N@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.6
± 0.4
|
| 2273 |
ALP-UNI-8e43a71e-10_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CC(CO)(F)F |
−6.62
± 0.10
|
| 2274 |
MAT-POS-5f1400cf-2_1
|
|
CN(CCO)c1ccc(cn1)C[NH2+]C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.62
± 0.10
|
| 2275 |
LON-WEI-5e7d1b3e-39_2
|
|
C[C@H](CCc1ccco1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C |
−6.6
± 0.5
|
| 2276 |
EDG-MED-4c68219f-12_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[O-] |
−6.6
± 0.2
|
| 2277 |
KAD-UNI-cb0f2bbc-12_2
|
|
CC(C)(C)OC(=O)N1CC(=O)N2CCOC[C@]2(C1)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−6.6
± 0.2
|
| 2278 |
MAT-POS-45b13633-2_2
|
|
C[NH2+]C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.62
± 0.09
|
| 2279 |
MAT-POS-24589f88-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5ccc(nc5)n6ccc(n6)C(=O)N |
−6.62
± 0.09
|
| 2280 |
MAT-POS-bb423b95-8_1
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2ccc(c3)O |
−6.6
± 0.4
|
| 2281 |
ALP-UNI-8e43a71e-12_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ccn(n5)[C@H]6CCNC6=O |
−6.6
± 0.3
|
| 2282 |
MAT-POS-2492181e-4_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl |
−6.6
± 0.4
|
| 2283 |
MIC-UNK-5a93dd5f-5_5
|
|
CC(=O)N[C@@H]1CC[N@@H+](C1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.6
± 0.3
|
| 2284 |
RAL-THA-4aa06b95-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCN(c4c3cc(cc4)Cl)C(=O)CO |
−6.6
± 0.5
|
| 2285 |
EDG-MED-ba1ac7b9-4_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[N@H+]6CC[C@H](C6)O |
−6.6
± 0.4
|
| 2286 |
VLA-UCB-50c39ae8-4_1
|
|
CC(=O)N1CC[NH+](CC1)CC(=O)N(c2cncc3c2cccc3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−6.6
± 0.4
|
| 2287 |
VLA-UCB-05e51b3f-4_1
|
|
CC(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−6.6
± 0.3
|
| 2288 |
DAR-DIA-0f2f46c9-6_2
|
|
CS(=O)(=O)[N@]1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.6
± 0.2
|
| 2289 |
ALP-UNI-8e43a71e-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CCC#N |
−6.61
± 0.09
|
| 2290 |
EDJ-MED-f893e2a1-6_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)C[NH2+]C[C@@H]5CC(=O)NC5 |
−6.6
± 0.2
|
| 2291 |
MAK-UNK-c749d764-5_4
|
|
c1ccc2c(c1)cncc2N(CO)C(=O)C[C@H]3CCC[C@H]([C@@H]3O)C(F)F |
−6.6
± 0.3
|
| 2292 |
MIC-UNK-5a93dd5f-9_8
|
|
CN(C)[C@H]1CC[N@H+](C1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.6
± 0.3
|
| 2293 |
DAR-DIA-9e4459de-13_3
|
|
c1cc2c(c(c1)NCOCCOc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@@H]7CCC(=O)NC7=O)O |
−6.6
± 0.3
|
| 2294 |
ALP-POS-347519b5-3_12
|
|
CS(=O)(=O)[N@]1C[C@H]2[C@@H]3CC[C@H]([C@@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−6.6
± 0.2
|
| 2295 |
EDJ-MED-6d9ff7d0-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)[NH2+]CCc5ccn[nH]5 |
−6.6
± 0.2
|
| 2296 |
ALP-POS-fe871b40-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl |
−6.6
± 0.2
|
| 2297 |
ALP-POS-67d5babe-5_1
|
|
CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.6
± 0.3
|
| 2298 |
ALP-POS-347519b5-1_20
|
|
CS(=O)(=O)[N@]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5 |
−6.6
± 0.3
|
| 2299 |
KAD-UNI-cb0f2bbc-7_2
|
|
C[C@]1(CCS(=O)(=O)C1)n2cc(cn2)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−6.6
± 0.2
|
| 2300 |
EDJ-MED-ee07cf00-17_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)Cn4c(=O)c5ccnn5cn4 |
−6.60
± 0.09
|