| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 201 |
MAT-POS-50a80394-6_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 |
−9.7
± 0.3
|
| 202 |
ALP-POS-c3a90b22-5_1
|
|
CNC(=O)CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.7
± 0.4
|
| 203 |
ALP-POS-c3a90b22-5_1
|
|
CNC(=O)CCN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl |
−9.7
± 0.4
|
| 204 |
EDJ-MED-976a33d5-1_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.7
± 0.3
|
| 205 |
EDJ-MED-976a33d5-1_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.7
± 0.3
|
| 206 |
ALP-POS-c3a90b22-12_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−9.7
± 0.2
|
| 207 |
ALP-POS-c3a90b22-12_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−9.7
± 0.2
|
| 208 |
LUO-POS-e1dab717-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.7
± 0.3
|
| 209 |
LUO-POS-e1dab717-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.7
± 0.3
|
| 210 |
MAT-POS-853c0ffa-15_1
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.7
± 0.1
|
| 211 |
MAT-POS-50a80394-5_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.7
± 0.4
|
| 212 |
MAT-POS-50a80394-5_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.7
± 0.4
|
| 213 |
MAT-POS-50a80394-5_2
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4c[nH+]cc5c4cccc5 |
−9.7
± 0.4
|
| 214 |
MAT-POS-50a80394-6_3
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.6
± 0.3
|
| 215 |
MAT-POS-e75f6e44-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−9.6
± 0.6
|
| 216 |
MAT-POS-e75f6e44-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−9.6
± 0.6
|
| 217 |
MAT-POS-e75f6e44-5_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−9.6
± 0.6
|
| 218 |
EDJ-MED-4cb9dd84-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−9.6
± 0.2
|
| 219 |
EDJ-MED-4cb9dd84-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−9.6
± 0.2
|
| 220 |
MAT-POS-96396902-1_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.6
± 0.6
|
| 221 |
MAT-POS-566864e2-1_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−9.6
± 0.3
|
| 222 |
MAT-POS-69786b79-4_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N |
−9.6
± 0.4
|
| 223 |
MAT-POS-b4d6b7fc-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.57
± 0.08
|
| 224 |
MAT-POS-b4d6b7fc-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.57
± 0.08
|
| 225 |
MAT-POS-b4d6b7fc-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)F)Cl |
−9.57
± 0.08
|
| 226 |
LUO-POS-b4dec3be-1_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.56
± 0.08
|
| 227 |
LUO-POS-b4dec3be-1_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)F)Cl |
−9.56
± 0.08
|
| 228 |
LUO-POS-b4dec3be-1_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.56
± 0.08
|
| 229 |
MAT-POS-38eb6498-3_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+](C)C)Cl |
−9.5
± 0.4
|
| 230 |
MAT-POS-38eb6498-3_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)OCC[NH+](C)C)Cl |
−9.5
± 0.4
|
| 231 |
MAT-POS-38eb6498-3_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl |
−9.5
± 0.4
|
| 232 |
LUO-POS-b4dec3be-2_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.54
± 0.08
|
| 233 |
LUO-POS-b4dec3be-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.54
± 0.08
|
| 234 |
LUO-POS-b4dec3be-2_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cc(cc5)F)Cl |
−9.54
± 0.08
|
| 235 |
MAT-POS-e75f6e44-5_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N |
−9.5
± 0.3
|
| 236 |
PET-UNK-7e9559de-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.5
± 0.3
|
| 237 |
PET-UNK-7e9559de-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.5
± 0.3
|
| 238 |
PET-UNK-7e9559de-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−9.5
± 0.3
|
| 239 |
MAT-POS-69786b79-3_2
|
|
CC1(CC1)NC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.5
± 0.3
|
| 240 |
MAT-POS-69786b79-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N |
−9.5
± 0.3
|
| 241 |
MAT-POS-69786b79-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N |
−9.5
± 0.3
|
| 242 |
MAT-POS-69786b79-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N |
−9.5
± 0.3
|
| 243 |
EDJ-MED-9f4ac58c-8_1
|
|
COC1(CC1)CS(=O)(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl |
−9.5
± 0.8
|
| 244 |
MAT-POS-e75f6e44-14_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−9.5
± 0.4
|
| 245 |
MAT-POS-e75f6e44-14_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−9.5
± 0.4
|
| 246 |
MAT-POS-e75f6e44-14_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6COC6 |
−9.5
± 0.4
|
| 247 |
EDG-MED-b1ef7fe3-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl |
−9.5
± 0.1
|
| 248 |
MAT-POS-69786b79-3_1
|
|
CC1(CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.5
± 0.2
|
| 249 |
MAT-POS-69786b79-3_1
|
|
CC1(CC1)NC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.5
± 0.2
|
| 250 |
MAT-POS-69786b79-3_1
|
|
CC1(CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.5
± 0.2
|
| 251 |
EDJ-MED-4cb9dd84-3_2
|
|
c1cc2cncc(c2cc1Cl)N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−9.5
± 0.3
|
| 252 |
EDJ-MED-9f4ac58c-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.4
± 0.6
|
| 253 |
EDJ-MED-9f4ac58c-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−9.4
± 0.6
|
| 254 |
MAT-POS-e75f6e44-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)F |
−9.4
± 0.6
|
| 255 |
MAT-POS-e75f6e44-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)F |
−9.4
± 0.6
|
| 256 |
MAT-POS-e75f6e44-15_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)F |
−9.4
± 0.6
|
| 257 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.44
± 0.08
|
| 258 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.44
± 0.08
|
| 259 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−9.44
± 0.08
|
| 260 |
LUO-POS-868e8996-11_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.44
± 0.08
|
| 261 |
LUO-POS-868e8996-11_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−9.44
± 0.08
|
| 262 |
LUO-POS-868e8996-11_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.44
± 0.08
|
| 263 |
VLA-UNK-61877630-6_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−9.4
± 0.3
|
| 264 |
VLA-UNK-61877630-6_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−9.4
± 0.3
|
| 265 |
EDJ-MED-8bb691af-4_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.42
± 0.08
|
| 266 |
EDJ-MED-8bb691af-4_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.42
± 0.08
|
| 267 |
EDJ-MED-8bb691af-4_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−9.42
± 0.08
|
| 268 |
MAT-POS-c7726e07-6_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.41
± 0.08
|
| 269 |
MAT-POS-c7726e07-6_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.41
± 0.08
|
| 270 |
MAT-POS-c7726e07-6_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−9.41
± 0.08
|
| 271 |
LUO-POS-868e8996-12_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.40
± 0.08
|
| 272 |
LUO-POS-868e8996-12_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.40
± 0.08
|
| 273 |
LUO-POS-868e8996-12_1
|
|
CNC(=O)C[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−9.40
± 0.08
|
| 274 |
MAT-POS-ddfe83c6-6_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)Cl)Cl |
−9.4
± 0.2
|
| 275 |
LUO-POS-8c3e556a-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl |
−9.4
± 0.3
|
| 276 |
LUO-POS-e1dab717-9_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−9.4
± 0.3
|
| 277 |
LUO-POS-e1dab717-9_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−9.4
± 0.3
|
| 278 |
EDJ-MED-98c0a822-4_1
|
|
CNC(=O)C1(COC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.4
± 0.4
|
| 279 |
EDJ-MED-98c0a822-4_1
|
|
CNC(=O)C1(COC1)N2C[C@]3(CCN(C3=O)c4c[nH+]cc5c4cccc5)c6cc(ccc6C2=O)Cl |
−9.4
± 0.4
|
| 280 |
LUO-POS-b4dec3be-2_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−9.4
± 0.3
|
| 281 |
VLA-UNK-5d8210f0-1_1
|
|
CNC(=O)C[N@]1Cc2c(cc(cc2F)Cl)[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5 |
−9.34
± 0.09
|
| 282 |
VLA-UNK-5d8210f0-1_1
|
|
CNC(=O)C[N@@H+]1Cc2c(cc(cc2F)Cl)[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5 |
−9.34
± 0.09
|
| 283 |
VLA-UNK-5d8210f0-1_1
|
|
CNC(=O)C[N@]1Cc2c(cc(cc2F)Cl)[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5 |
−9.34
± 0.09
|
| 284 |
VLA-UNK-61877630-3_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−9.3
± 0.2
|
| 285 |
VLA-UNK-61877630-3_1
|
|
CNC(=O)CN1[C@@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−9.3
± 0.2
|
| 286 |
LUO-POS-868e8996-11_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.3
± 0.3
|
| 287 |
EDJ-MED-33064c06-17_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N |
−9.3
± 0.3
|
| 288 |
EDJ-MED-33064c06-17_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N |
−9.3
± 0.3
|
| 289 |
EDJ-MED-8bb691af-4_2
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−9.3
± 0.3
|
| 290 |
EDJ-MED-33064c06-7_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl |
−9.3
± 0.1
|
| 291 |
EDJ-MED-6b23330e-4_2
|
|
CC(C)(CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)O |
−9.3
± 0.4
|
| 292 |
EDJ-MED-976a33d5-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl |
−9.3
± 0.1
|
| 293 |
MAT-POS-e75f6e44-18_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F |
−9.3
± 0.6
|
| 294 |
MAT-POS-e75f6e44-18_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F |
−9.3
± 0.6
|
| 295 |
MAT-POS-e75f6e44-18_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F |
−9.3
± 0.6
|
| 296 |
ALP-POS-c3a90b22-2_1
|
|
CNC(=O)C1(CCC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.2
± 0.3
|
| 297 |
ALP-POS-c3a90b22-2_1
|
|
CNC(=O)C1(CCC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−9.2
± 0.3
|
| 298 |
ALP-POS-c3a90b22-2_1
|
|
CNC(=O)C1(CCC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−9.2
± 0.3
|
| 299 |
MAT-POS-853c0ffa-22_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl |
−9.2
± 0.1
|
| 300 |
MAT-POS-50a80394-5_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−9.2
± 0.3
|