Microstates

Showing 201 through 300 of 7698
Rank Microstate SMILES ΔG / kcal M-1
201 EN300-92447_1_2_1 molecule C[C@@H]1C[C@@H](ON1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
202 EN300-39501_1_1_1 molecule COCCS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.0 ± 0.4
203 DAR-DIA-5ff57136-10_1 molecule c1ccc2c(c1)cncc2N(C#CC#N)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −12.0 ± 0.1
204 EN300-7437779_1_1_1 molecule Cn1c(=O)c(c[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
205 EN300-7437779_1_1_1 molecule Cn1c(=O)c(c[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
206 EN300-199991_1_1_1 molecule Cc1cc(=O)c(cn1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
207 EN300-27341_2_2_1 molecule CS(=O)(=O)[N@@]1CCC[C@H](C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
208 EN300-37102_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)C5CC5 −12.0 ± 0.4
209 EDG-MED-90036822-94_13 molecule C[C@@H]1C[C@@H]1[C@H]([C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O −12.0 ± 0.3
210 VLA-UCB-34f3ed0c-14_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −12.0 ± 0.3
211 CHO-MSK-5891c1ff-12_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5c[nH]nc5 −12.0 ± 0.2
212 EDG-MED-ba1ac7b9-6_2 molecule CC(C)N(CC#N)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.0 ± 0.3
213 EN300-2908024_3_2_1 molecule CC[C@](C)(C(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.0 ± 0.3
214 EN300-7435929_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncc6c(n5)CCOC6 −12.0 ± 0.3
215 EN300-248883_3_2_1 molecule COC[C@]1(CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
216 EN300-172179_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCOC5=O −12.0 ± 0.3
217 EN300-42819_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)NC5 −12.0 ± 0.2
218 EN300-261210_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCOC5)C#N −12.0 ± 0.3
219 EN300-1715993_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCn5ccnn5 −12.0 ± 0.2
220 DAR-DIA-5ff57136-13_1 molecule C#CCN(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −12.0 ± 0.1
221 EN300-1627945_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO[C@@H]5CCCOC5 −11.9 ± 0.2
222 DAR-DIA-5ff57136-12_1_1 molecule c1ccc2c(c1)cncc2N(C#C[C@@H]3CCC[NH2+]3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −11.9 ± 0.2
223 EN300-7444533_1_1_1 molecule C[C@@H]1C[C@@H](C(=O)O1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
224 EN300-18928_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CSCN5C(=O)C6CC6 −11.9 ± 0.4
225 EN300-1608590_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5N[C@@H](ON5)[NH+]6CCOCC6 −11.9 ± 0.4
226 EN300-48902_1_2_1 molecule CNC(=O)[C@H]1CCCN1C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
227 EN300-6481287_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5[C@@H](C[C@H]6[C@@H]5CC6=O)O −11.9 ± 0.3
228 EN300-36158_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COCCO5 −11.9 ± 0.2
229 EN300-303519_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5OCC6 −11.9 ± 0.2
230 VLA-UCB-50c39ae8-10_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −11.9 ± 0.3
231 EN300-12587_1_1_1 molecule CC(=O)N1CCC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
232 EN300-331828_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5COC[C@H]5O −11.9 ± 0.3
233 EN300-51350_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6nncn6C5 −11.9 ± 0.3
234 EN300-90142_1_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC[C@H](C5)C(=O)N −11.9 ± 0.2
235 EN300-113218_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS[C@@H]5CCOC5=O −11.9 ± 0.4
236 EN300-132157_3_2_1 molecule C[C@]1(CC(=O)NC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
237 EN300-83529_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nc6ncccn6n5 −11.9 ± 0.2
238 EN300-140837_1_1_1 molecule Cn1c(c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N −11.9 ± 0.2
239 EN300-100916_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5nccn5 −11.9 ± 0.2
240 EN300-300519_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5csnn5 −11.9 ± 0.2
241 EN300-6503702_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]56CC[C@@H](C5)S(=O)(=O)CC6 −11.9 ± 0.3
242 EN300-72730_3_1_1 molecule C[C@@H](C#N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.9 ± 0.2
243 EN300-102853_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6nn[n-][n+]6c5 −11.9 ± 0.2
244 EN300-104395_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCO5 −11.9 ± 0.2
245 EN300-65050_3_1_1 molecule CC(C)(CO)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.9 ± 0.3
246 MIC-UNK-9582b2c5-1_5 molecule CC(=O)N1CC[C@@H]2[C@@H](C1)CN(C(=O)[C@H]2c3cccc(c3)Cl)c4cncc5c4cccc5 −11.9 ± 0.4
247 EN300-749499_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5(CCOCC5)O)O −11.9 ± 0.2
248 EN300-6764836_1_5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]6[C@@H]([C@H]([C@@H]5O6)O)O −11.9 ± 0.3
249 EDG-MED-90036822-41_1 molecule Cn1ccnc1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.2
250 EN300-181688_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCO6 −11.8 ± 0.2
251 EN300-315963_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnoc5 −11.8 ± 0.2
252 EN300-37123_1_1_1 molecule Cn1cc(c(=O)[nH]c1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
253 EN300-6737762_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCCNC5=O −11.8 ± 0.3
254 EN300-52380_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CC(=O)N −11.8 ± 0.3
255 EN300-197715_3_1_1 molecule Cc1nnnn1CCCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
256 MAT-POS-de59a476-3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3ccc(c(c3)Cl)Cl)OCCN4CCOCC4=O −11.8 ± 0.4
257 EN300-304627_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H](CCO5)Cn6cccn6 −11.8 ± 0.3
258 EN300-1301381_1_2_1 molecule COC[C@]1(CCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
259 EN300-341337_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56CCO[C@@H]5CCOC6 −11.8 ± 0.4
260 EN300-150212_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc([nH]n5)F −11.8 ± 0.2
261 EN300-82616_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCNC5=O −11.8 ± 0.3
262 DAR-DIA-5ff57136-16_2_1 molecule C[C@H](C#C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.8 ± 0.1
263 EN300-1726277_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](n5cccn5)F −11.8 ± 0.2
264 DAR-DIA-5ff57136-13_1_1 molecule C#CCN(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.8 ± 0.1
265 EN300-41425_1_1_1 molecule Cc1cc(n[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.2
266 MAK-UNK-c749d764-22_8 molecule C[C@H](C[NH2+]C[C@H]1CCCO1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −11.8 ± 0.4
267 MIC-UNK-50cce87d-12_2 molecule COc1cccc2c1c(cnc2)N3CCC[C@H](C3=O)c4cccc(c4)Cl −11.8 ± 0.3
268 EN300-66976_1_1_1 molecule Cn1ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.2
269 EN300-1178005_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(on5)C#N −11.8 ± 0.2
270 EN300-82037_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5C=CON5 −11.8 ± 0.2
271 EN300-748981_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCn6c5nnc6 −11.8 ± 0.3
272 EN300-246747_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CC(=O)NC5 −11.8 ± 0.3
273 EN300-6489289_1_2_1 molecule Cc1nnc2n1[C@H](CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.8 ± 0.3
274 EN300-872798_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(nnn5)C6CC6 −11.8 ± 0.3
275 EN300-143449_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCN(=O)=O −11.8 ± 0.2
276 EN300-7465954_1_1_1 molecule COc1c(=O)ccoc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.2
277 EN300-208236_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCc6c5n[nH]n6 −11.8 ± 0.2
278 EN300-189901_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6c5[nH]c(=O)[nH]6 −11.8 ± 0.2
279 EN300-141695_1_1_1 molecule CN1CC[C@@H](C1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
280 EN300-65839_3_2_1 molecule CC[C@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.8 ± 0.3
281 EN300-651307_3_1_1 molecule CC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −11.8 ± 0.3
282 EN300-6731334_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CCN(CC5)S(=O)(=O)C6 −11.8 ± 0.4
283 EN300-304695_1_1_1 molecule CN1CCCC[C@@H](C1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.2
284 EDG-MED-90036822-91_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](c5cccc(c5)F)[NH3+] −11.8 ± 0.3
285 EN300-33478_3_2_1 molecule CCN1C[C@H](CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.4
286 EDG-MED-90036822-94_16 molecule C[C@H]1C[C@H]1[C@H]([C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O −11.8 ± 0.2
287 EN300-216673_2_1_1 molecule Cn1c(cnn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
288 EN300-2983057_1_1_1 molecule Cn1c(c(cn1)C#N)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.2
289 EN300-132157_3_1_1 molecule C[C@@]1(CC(=O)NC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.3
290 EN300-42819_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)NC5 −11.8 ± 0.2
291 EN300-60033_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC[C@H]5CCCO5 −11.8 ± 0.3
292 EN300-379219_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C[C@@H]6CNC(=O)O6 −11.8 ± 0.3
293 EN300-97847_1_1_1 molecule Cn1cc(nc1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.8 ± 0.2
294 EN300-1932780_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C(F)F)O −11.8 ± 0.3
295 EN300-237561_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)cccn5 −11.7 ± 0.3
296 EN300-76387_2_2_1 molecule C[C@H](CC1N[NH2+][NH2+]N1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.2
297 EN300-3710141_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCCO5)C#N −11.7 ± 0.3
298 EN300-7437385_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[N@H+]6CCC[C@H]6CO5 −11.7 ± 0.4
299 EN300-53918_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCN5CCOC5=O −11.7 ± 0.3
300 EN300-12929_1_1_1 molecule Cc1cc(no1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
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