Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
201 |
EDJ-MED-cc48ee33-2_1
|
|
Cn1c(ccn1)C(=O)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−8.5
± 0.2
|
202 |
EDJ-MED-f9b78f78-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
−8.5
± 0.1
|
203 |
EDJ-MED-7587a9ee-1_1
|
|
CN1C(=O)N(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)C)c4cncc5c4cccc5 |
−8.5
± 0.1
|
204 |
LUO-POS-d1147590-1_1
|
|
C[NH+]1CCC(CC1)Oc2ccc3cncc(c3c2)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−8.5
± 0.8
|
205 |
MAT-POS-b4d6b7fc-7_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl |
−8.5
± 0.3
|
206 |
VLA-UNK-56836b69-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)NC3=O |
−8.44
± 0.09
|
207 |
PET-UNK-94036022-4_1
|
|
C#CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl |
−8.4
± 0.3
|
208 |
MAT-POS-853c0ffa-17_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl |
−8.4
± 0.3
|
209 |
MAT-POS-b4d6b7fc-6_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl |
−8.4
± 0.2
|
210 |
MAT-POS-50a80394-1_2
|
|
C[C@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−8.4
± 0.5
|
211 |
LUO-POS-868e8996-9_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.3
± 0.4
|
212 |
PET-UNK-aa57768f-3_1
|
|
C#CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.3
± 0.1
|
213 |
ALP-POS-4483ae88-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
−8.3
± 0.1
|
214 |
PET-UNK-94036022-5_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−8.2
± 0.3
|
215 |
EDJ-MED-fd8ed875-5_1
|
|
CNC(=O)CN1C[C@@]2(c3cc(ccc3C1=O)Cl)C(=CN(C2=O)c4cncc5c4cccc5)F |
−8.2
± 0.3
|
216 |
EDJ-MED-5cd3920d-1_1
|
|
c1cc2cncc(c2cc1OC(F)F)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.2
± 0.4
|
217 |
MAT-POS-853c0ffa-5_1
|
|
c1cc2cncc(c2c(c1)Cl)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.2
± 0.5
|
218 |
VLA-UNK-f702bf1c-4_2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@H]6CC(=O)NC6 |
−8.2
± 0.3
|
219 |
EDJ-MED-dfa1d800-3_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl |
−8.2
± 0.3
|
220 |
VLA-UNK-f702bf1c-3_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6[nH]ncn6 |
−8.2
± 0.2
|
221 |
LUO-POS-ed2cfb03-2_1
|
|
CNS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.1
± 0.4
|
222 |
JOH-MSK-1f2dff76-2_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−8.1
± 0.3
|
223 |
EDJ-MED-94fddcec-7_1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.1
± 0.2
|
224 |
MAT-POS-69786b79-1_1
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.1
± 0.2
|
225 |
MAT-POS-576f7758-1_1
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.1
± 0.2
|
226 |
MAT-POS-50a80394-3_2
|
|
CC(C)[C@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−8.1
± 0.5
|
227 |
LUO-POS-868e8996-8_1
|
|
CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−8.1
± 0.1
|
228 |
MAT-POS-853c0ffa-13_1
|
|
c1cc2cncc(c2cc1F)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.1
± 0.4
|
229 |
VLA-UNK-f702bf1c-7_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCN6CC[NH2+]CC6 |
−8.1
± 0.2
|
230 |
MIK-ENA-5d9157e9-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−8.1
± 0.4
|
231 |
MAT-POS-50a80394-1_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−8.1
± 0.4
|
232 |
EDG-MED-b1ef7fe3-1_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl |
−8.0
± 0.2
|
233 |
PET-UNK-94036022-11_1
|
|
C#CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl |
−8.0
± 0.3
|
234 |
PET-UNK-aa57768f-8_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−8.0
± 0.2
|
235 |
EDJ-MED-94fddcec-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.0
± 0.1
|
236 |
MAT-POS-c2d406ed-4_1
|
|
CN1C(=S)N(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−7.9
± 0.3
|
237 |
MAT-POS-983b399a-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−7.89
± 0.09
|
238 |
EDJ-MED-159244ea-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−7.86
± 0.09
|
239 |
MAT-POS-1bed62cf-3_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−7.8
± 0.3
|
240 |
EDJ-MED-a6bab6fb-1_1
|
|
Cc1cccc2c1c(cnc2)N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−7.79
± 0.09
|
241 |
VLA-UNK-56836b69-5_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CC(=O)Nc5c4cc(c(c5)Cl)Cl)NC3=O |
−7.8
± 0.1
|
242 |
EDJ-MED-98c0a822-1_1
|
|
CNC(=O)C1(CCC1)[N@@]2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
−7.8
± 0.6
|
243 |
VLA-UNK-f2612802-2_1
|
|
CNC(=O)C[N@@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5S1(=O)=O)F)Cl |
−7.8
± 0.2
|
244 |
PET-UNK-94036022-7_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl |
−7.7
± 0.3
|
245 |
VLA-UNK-56836b69-3_1
|
|
CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(c(c3)Cl)Cl)c4cncc5c4cccc5 |
−7.74
± 0.08
|
246 |
VLA-UNK-f702bf1c-5_2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@H]6CCC(=O)NC6 |
−7.7
± 0.2
|
247 |
ALP-POS-ecbed2ba-15_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCCC6)C#N |
−7.7
± 0.4
|
248 |
MAT-POS-38eb6498-5_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl |
−7.6
± 0.2
|
249 |
MAT-POS-c7726e07-6_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.6
± 0.2
|
250 |
MAT-POS-40ad851a-2_1
|
|
CC[N@H+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.6
± 0.8
|
251 |
MAT-POS-38eb6498-6_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)C(=O)NC)c5cc(ccc5C1=O)Cl |
−7.6
± 0.2
|
252 |
LUO-POS-868e8996-12_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.6
± 0.2
|
253 |
MAT-POS-1bed62cf-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.6
± 0.4
|
254 |
MAT-POS-69786b79-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6CC6 |
−7.6
± 0.2
|
255 |
EDJ-MED-d7486dd1-1_1
|
|
Cc1cc(cc2c1c(cnc2)N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl)S(=O)(=O)C |
−7.6
± 0.1
|
256 |
ALP-POS-afe0272e-2_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl |
−7.6
± 0.2
|
257 |
ALP-POS-ecbed2ba-7_1
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.6
± 0.2
|
258 |
EDJ-MED-94fddcec-5_1
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.5
± 0.2
|
259 |
MAT-POS-c7726e07-5_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.5
± 0.2
|
260 |
MAT-POS-983b399a-3_1
|
|
c1ccc2c(c1)cncc2N3C[C@@]4(CCOc5c4cc(cc5)Cl)CC3=O |
−7.47
± 0.06
|
261 |
PET-UNK-94036022-12_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−7.5
± 0.3
|
262 |
VLA-UNK-f2612802-1_1
|
|
CNC(=O)C[N@]1[C@@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl)C(F)(F)F |
−7.5
± 0.4
|
263 |
EDJ-MED-8bb691af-7_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.4
± 0.1
|
264 |
MAT-POS-50a80394-5_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−7.4
± 0.2
|
265 |
EDJ-MED-ee81482e-2_1
|
|
C[NH+]1CC(C1)Oc2ccc3cncc(c3c2)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−7.4
± 0.5
|
266 |
EDJ-MED-8bb691af-4_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.4
± 0.2
|
267 |
MAT-POS-69786b79-3_1
|
|
CC1(CC1)NC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.4
± 0.3
|
268 |
LUO-POS-868e8996-10_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.2
± 0.4
|
269 |
ALP-POS-ecbed2ba-14_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC#N |
−7.2
± 0.2
|
270 |
LUO-POS-868e8996-11_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.2
± 0.2
|
271 |
VLA-MRT-a639d434-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O |
−7.2
± 0.2
|
272 |
PET-UNK-77d5678a-4_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 |
−7.2
± 0.2
|
273 |
ALP-POS-ecbed2ba-12_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
−7.2
± 0.2
|
274 |
EDJ-MED-94fddcec-6_1
|
|
C[N@](c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl)S(=O)(=O)C |
−7.1
± 0.2
|
275 |
EDJ-MED-e78d5f1a-1_1
|
|
c1cc2cncc(c2c(c1)Cl)N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl |
−7.1
± 0.1
|
276 |
LUO-POS-b4dec3be-1_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−7.1
± 0.2
|
277 |
MAT-POS-69786b79-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N |
−7.1
± 0.3
|
278 |
LUO-POS-eaf50f21-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)[NH+]=C3N |
−7.0
± 0.4
|
279 |
ALP-POS-ecbed2ba-8_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCC6)C#N |
−7.0
± 0.6
|
280 |
VLA-MRT-a639d434-1_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl |
−7.0
± 0.2
|
281 |
ALP-POS-ecbed2ba-17_1
|
|
C[N@](CC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−7.0
± 0.7
|
282 |
PET-UNK-77d5678a-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 |
−6.9
± 0.2
|
283 |
MAT-POS-853c0ffa-18_1
|
|
CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl |
−6.9
± 0.3
|
284 |
JOH-MSK-b735e33c-1_2
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)N(C3=O)C[C@H]6CCC(=O)NC6 |
−6.9
± 0.2
|
285 |
MAT-POS-50a80394-4_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−6.8
± 0.2
|
286 |
MAT-POS-b4d6b7fc-5_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl |
−6.8
± 0.2
|
287 |
EDJ-MED-5cd3920d-6_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F |
−6.8
± 0.5
|
288 |
VLA-MRT-8c78ee15-3_1
|
|
CNC(=O)C[N@H+]1Cc2ccc(cc2[C@@]3(C1)C(=O)N(C(=O)N3)c4cncc5c4cccc5)Cl |
−6.8
± 0.2
|
289 |
VLA-MRT-8c78ee15-4_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)N)NC3=O |
−6.8
± 0.2
|
290 |
ALP-POS-afe0272e-1_1
|
|
CNC(=O)C[N@H+]1Cc2cc(c(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)Cl |
−6.6
± 0.2
|
291 |
EDJ-MED-d4864bdc-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−6.6
± 0.2
|
292 |
MAT-POS-50a80394-2_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−6.6
± 0.5
|
293 |
MAT-POS-50a80394-7_1
|
|
CC1(CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C |
−6.6
± 0.3
|
294 |
JOH-MSK-1f2dff76-1_1
|
|
CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−6.5
± 0.3
|
295 |
EDJ-MED-7d88f880-2_1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4ccc(c5)[S@@](=N)(=O)C)c6cc(ccc6C2=O)Cl |
−6.4
± 0.3
|
296 |
JOH-MSK-51c67e7d-1_1
|
|
C[N@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−6.3
± 0.1
|
297 |
MAT-POS-50a80394-8_1
|
|
CC1(CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6)C |
−6.3
± 0.6
|
298 |
LUO-POS-ed2cfb03-1_1
|
|
C[NH+]1CCN(CC1)S(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−6.3
± 0.9
|
299 |
ALP-POS-41e2080f-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−6.3
± 0.2
|
300 |
JOH-MSK-51c67e7d-2_1
|
|
C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
−6.3
± 0.2
|