Microstates

Showing 201 through 300 of 1789
Rank Microstate SMILES ΔG / kcal M-1
201 VLA-UCB-34f3ed0c-9_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CCc5c[nH]c(=O)o5 −10.2 ± 0.3
202 EN300-44873_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[N@@]5CCCS5(=O)=O −10.2 ± 0.4
203 EN300-298552_1_2 molecule CO[C@H]([C@@H]1CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.2
204 DAR-DIA-23e5a6a0-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC6([NH2+]5)COC6)Cl −10.2 ± 0.3
205 EN300-204936_3_1 molecule Cn1c(cnn1)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
206 EN300-203293_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5CNC(=O)O5 −10.2 ± 0.4
207 EN300-1267093_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6C[C@@]6(C5)O −10.2 ± 0.3
208 EN300-42154_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C5CCCC5 −10.2 ± 0.3
209 EN300-128277_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NCC(F)F −10.2 ± 0.2
210 EN300-74089_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)C#N −10.2 ± 0.4
211 EN300-19700_3_1 molecule COC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
212 EN300-19700_3_1 molecule COC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
213 EN300-19700_3_1 molecule COC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
214 EN300-1265948_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCS(=O)(=O)CC5 −10.2 ± 0.3
215 EN300-131093_3_2 molecule C[C@H](C(=O)NCC(=O)C)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.3
216 EN300-6494158_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5C[C@@H](CO5)CO −10.2 ± 0.3
217 EN300-1717166_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC56CC(C6)O −10.2 ± 0.3
218 EN300-304662_2_1 molecule Cc1nnc(o1)CCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
219 EN300-73772_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5[nH]c(=O)[nH]n5 −10.2 ± 0.3
220 EN300-202757_3_1 molecule C[C@@H](CC(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.3
221 EN300-25572_3_1 molecule C[C@@H]1CN(CCO1)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.4
222 EN300-1273362_3_2 molecule C[C@]1(CN(C1=O)C)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
223 EN300-7102031_1_1 molecule COCC(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)COC −10.1 ± 0.3
224 EN300-90142_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCC[C@@H](C5)C(=O)N −10.1 ± 0.2
225 VLA-UCB-50c39ae8-8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC(=O)N5)Cl −10.1 ± 0.2
226 JAG-UCB-706446eb-8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)Cc5cccc(c5)C[NH3+] −10.1 ± 0.3
227 EN300-113112_3_1 molecule Cn1cnnc1COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
228 EN300-01527_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC[C@H]5CCCO5 −10.1 ± 0.3
229 EN300-85760_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCO5 −10.1 ± 0.2
230 EN300-19700_1_1 molecule COC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
231 EN300-19700_1_1 molecule COC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
232 EN300-19700_1_1 molecule COC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
233 EN300-69215_1_1 molecule CN(C)C(=O)CCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
234 MAK-UNK-3875bbc8-1_1 molecule Cc1ccc2c(c1)[C@@H](CCO2)C(=O)N(C)c3cncc4c3cccc4 −10.1 ± 0.1
235 DAR-DIA-23e5a6a0-2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC6([NH2+]5)CCC6)Cl −10.1 ± 0.6
236 EN300-258477_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.1 ± 0.2
237 EN300-69070_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)C(=O)N −10.1 ± 0.3
238 EN300-62574_1_1 molecule Cn1c(nnn1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
239 EN300-261210_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCOC5)C#N −10.1 ± 0.3
240 EN300-213358_1_1 molecule Cn1c(ncn1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.4
241 EN300-301925_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCCOC5)C#N −10.1 ± 0.2
242 EN300-77006_1_1 molecule Cc1nc(on1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
243 EN300-7457160_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5=NO[C@H](C5)CC6(COC6)O −10.1 ± 0.3
244 EN300-6238494_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[C@@H]5COCCO5 −10.1 ± 0.3
245 EN300-7457159_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cc(on5)C6(COC6)O −10.1 ± 0.3
246 EN300-22879_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCCC[C@@H]5C(=O)N −10.1 ± 0.3
247 EDJ-MED-28ec730d-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5c[nH]nc5 −10.1 ± 0.2
248 EN300-90225_1_1 molecule Cn1nc(nn1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
249 EN300-206870_1_1 molecule Cc1nnc(s1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
250 DAR-DIA-0d514e7d-28_1 molecule C[C@H]1COc2ccc(cc2[C@]1(C)C(=O)Nc3cncc4c3cccc4)Cl −10.1 ± 0.1
251 MAK-UNK-8be7dca9-4_1 molecule c1cc2cncc(c2cc1N3CC[NH2+]CC3)NC(=O)[C@@H]4CCOc5c4cc(cc5)Cl −10.06 ± 0.10
252 EN300-181938_1_1 molecule C[C@@](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C=C)O −10.1 ± 0.2
253 EN300-6494158_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5C[C@H](CO5)CO −10.1 ± 0.3
254 EN300-7353672_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@H](CC5)O)CO −10.1 ± 0.5
255 VLA-UCB-34f3ed0c-21_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CC[C@H]5CC(=O)NC5 −10.0 ± 0.3
256 EN300-31969_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CC(=O)N(C5)CC6CC6 −10.0 ± 0.3
257 EN300-125140_2_1 molecule COCC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.4
258 EN300-214800_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCNC5=O −10.0 ± 0.3
259 EN300-7459916_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC(=O)CO −10.0 ± 0.3
260 EN300-95598_3_1 molecule Cn1cc(cn1)S(=O)(=O)NCCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.5
261 EN300-20496_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCOC5=O −10.0 ± 0.2
262 EN300-1608590_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nc(on5)N6CCOCC6 −10.0 ± 0.3
263 EN300-18249_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N −10.0 ± 0.2
264 EN300-219020_3_1 molecule Cn1ncc(n1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
265 EN300-219020_3_1 molecule Cn1ncc(n1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
266 EN300-2958082_3_1 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)NC −10.0 ± 0.3
267 EN300-364679_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cnnn5 −10.0 ± 0.2
268 EN300-331941_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]5C(=O)N −10.0 ± 0.3
269 EN300-302058_2_1 molecule CON1CC[C@@H](C1=O)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
270 EN300-73772_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5[nH]c(=O)[nH]n5 −10.0 ± 0.2
271 EN300-124918_1_1 molecule Cn1c(=O)[nH]c(n1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2
272 EN300-90225_2_1 molecule Cn1nc(nn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2
273 VLA-UCB-50c39ae8-7_1 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.0 ± 0.2
274 EN300-6736413_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCNC5=O −10.0 ± 0.2
275 EN300-6736413_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCNC5=O −10.0 ± 0.2
276 EN300-248526_3_2 molecule c1ccc(cc1)[C@](COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(C(=O)N)O −10.0 ± 0.3
277 EN300-18249_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N −10.0 ± 0.2
278 EN300-47606_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC[C@@H]5CCS(=O)(=O)C5 −10.0 ± 0.3
279 EN300-182913_3_1 molecule CC(C)(C(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
280 JOH-SUS-a69c159d-6_1 molecule c1ccc2c(c1)c(c(nc2F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −9.95 ± 0.07
281 EN300-207873_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CC5)O −10.0 ± 0.2
282 EN300-135060_1_1 molecule COC(=O)CSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
283 EN300-17381_4_2 molecule C[C@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3
284 EN300-17381_4_2 molecule C[C@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3
285 EN300-17381_4_2 molecule C[C@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3
286 EN300-12139_1_1 molecule CN(C)C(=O)CSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.4
287 EN300-02067_3_2 molecule C[C@H](COC)NC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3
288 EN300-78135_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NC5CC5 −9.9 ± 0.2
289 EN300-306316_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5[nH]ncn5 −9.9 ± 0.2
290 EN300-264744_1_2 molecule CC(C)([C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O −9.9 ± 0.2
291 EN300-52325_1_1 molecule CCCS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.4
292 EN300-6488034_1_1 molecule CC1(CN(C[C@@H](O1)CC(=O)N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −9.9 ± 0.4
293 EN300-113218_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS[C@H]5CCOC5=O −9.9 ± 0.3
294 EN300-1968342_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H](CF)O −9.9 ± 0.4
295 EN300-1968342_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H](CF)O −9.9 ± 0.4
296 EN300-20375_1_1 molecule COCCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3
297 EN300-1696962_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCCn5cnnn5 −9.9 ± 0.4
298 EN300-178293_3_1 molecule C[NH+]1CCN(CC1)C(=O)CCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.6
299 EN300-05512_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N[C@H]5CCS(=O)(=O)C5 −9.9 ± 0.3
300 EDJ-MED-28ec730d-1_1 molecule COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3
Last updated 2021-02-02T06:30:38.392981+00:00
Generated by fah-xchem version 0.1.0+76.g1a4d290.dirty