Microstates

Showing 301 through 400 of 7698
Rank Microstate SMILES ΔG / kcal M-1
301 EN300-23318_3_2_1 molecule C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.4
302 EN300-261210_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCOC5)C#N −11.7 ± 0.2
303 EN300-1273016_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCc6n5ncn6 −11.7 ± 0.3
304 EN300-321703_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCOC5COC5 −11.7 ± 0.3
305 VLA-UCB-551c2366-1_1 molecule CN(C)c1ccc(cc1)[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.2
306 EN300-269453_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6nnnn6C5 −11.7 ± 0.3
307 MIC-UNK-50cce87d-9_2 molecule c1cc(cc(c1)Cl)[C@H]2CCCN(C2=O)c3cncc4c3c(ccc4)F −11.7 ± 0.2
308 EN300-6482296_1_5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CO[C@@H]6[C@H]5COC6 −11.7 ± 0.3
309 EN300-332838_3_2_1 molecule CN1[C@H](COC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
310 EN300-301925_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCCOC5)C#N −11.7 ± 0.3
311 DAR-DIA-6a508060-9_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −11.7 ± 0.3
312 EN300-305567_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc[n+]6c(c5)nn[n-]6 −11.7 ± 0.3
313 EN300-1601684_1_2_1 molecule CC1([C@H](OCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.7 ± 0.3
314 EN300-640698_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc([nH]c5=O)C#N −11.7 ± 0.2
315 EN300-262745_1_1_1 molecule CCn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.2
316 EN300-218116_3_1_1 molecule CC(CO)(CO)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.7 ± 0.4
317 EN300-83558_1_1_1 molecule Cc1ccnn1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.2
318 EN300-30768_1_1_1 molecule C[C@@H]1C[C@@H]1C(=O)NCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
319 EN300-65352_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5ncccn5 −11.7 ± 0.3
320 EN300-142240_1_1_1 molecule Cn1c(cc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −11.7 ± 0.3
321 EN300-2007648_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CC(C5)CO6 −11.7 ± 0.2
322 MAK-UNK-3875bbc8-2_1_1 molecule CN(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.70 ± 0.09
323 EN300-107267_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5CCCNC5=O −11.7 ± 0.2
324 EN300-246248_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CCNC5=O −11.7 ± 0.3
325 EN300-62574_3_1_1 molecule Cn1c(nnn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
326 EN300-80522_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC[C@@H]5CCOC5 −11.7 ± 0.2
327 EN300-7433864_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]c(=O)n(c5=O)C6CC6 −11.7 ± 0.3
328 EN300-1267109_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(cn[nH]5)C#N −11.7 ± 0.2
329 EN300-179091_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC(F)F −11.7 ± 0.2
330 VLA-UCB-34f3ed0c-3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)NCc5ccn[nH]5 −11.7 ± 0.3
331 EN300-373552_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cncc(n5)F −11.7 ± 0.2
332 EN300-12067_1_1_1 molecule Cc1csc(=O)n1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
333 EN300-64193_3_1_1 molecule Cc1nnc(o1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
334 EN300-220228_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6cc[nH]n6c5=O −11.7 ± 0.3
335 EN300-186929_1_1_1 molecule Cc1c(nc[nH]1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.2
336 EN300-211777_1_1_1 molecule CC(=O)N1CCC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
337 EN300-98648_3_2_1 molecule CN1CC[C@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
338 EN300-98648_3_2_1 molecule CN1CC[C@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
339 EN300-09325_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccccc5n6cnnn6 −11.7 ± 0.3
340 EN300-805037_1_1_1 molecule Cn1c2cc(c(=O)[nH]c2cn1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.7 ± 0.3
341 CHO-MSK-5891c1ff-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOC5=O −11.7 ± 0.2
342 MIC-UNK-50cce87d-10_1 molecule c1cc(cc(c1)Cl)[C@@H]2CCCN(C2=O)c3cncc4c3c(ccc4)Cl −11.7 ± 0.3
343 EN300-79022_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccnn5 −11.7 ± 0.2
344 EN300-6494158_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5C[C@@H](CO5)CO −11.7 ± 0.3
345 EN300-247428_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CC6CC6 −11.7 ± 0.2
346 EN300-7443878_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5CCOCC5)O −11.7 ± 0.2
347 EN300-7461217_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]([C@@H](C5)F)O −11.7 ± 0.3
348 EN300-00271_3_1_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −11.7 ± 0.3
349 EN300-6277108_3_2_1 molecule CO[C@H]([C@@H]1CCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.4
350 EN300-188174_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6c(n5)[nH]c(=O)o6 −11.7 ± 0.2
351 EN300-85853_1_1_1 molecule Cc1cc(=O)c(c[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
352 EN300-373476_1_1_1 molecule C[C@@]1(CCCS1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
353 ALP-POS-5bb456a5-1_9 molecule C[C@@H]1C[N@@](CC[C@@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −11.7 ± 0.4
354 EDJ-MED-6864a934-5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnn5CC#N −11.6 ± 0.2
355 EN300-322400_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H](OCCO5)C(F)(F)F −11.6 ± 0.2
356 EN300-304695_1_2_1 molecule CN1CCCC[C@H](C1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
357 EN300-120119_1_1_1 molecule CN([C@@H]1CCNC1=O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
358 EN300-185378_3_1_1 molecule C[C@@H](COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.6 ± 0.3
359 EN300-1244816_1_1_1 molecule Cc1nnnn1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
360 EDG-MED-90036822-78_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]([C@@H](C5CC5)O)F −11.6 ± 0.2
361 EN300-6744028_1_7_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H]6C[C@H]5[C@H]([C@H]6O)O −11.6 ± 0.3
362 EN300-244909_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)CO −11.6 ± 0.3
363 EN300-209316_1_1_1 molecule Cn1c(ncn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
364 EN300-77520_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC5CCOCC5 −11.6 ± 0.2
365 EN300-373435_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5C[C@H]6CC[C@@H](C5)S6(=O)=O −11.6 ± 0.3
366 DAR-DIA-23e5a6a0-3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC6([NH2+]5)COC6)Cl −11.6 ± 0.3
367 EN300-254854_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]5N(=O)=O −11.6 ± 0.2
368 EN300-191904_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5cnnn5 −11.6 ± 0.3
369 EN300-105693_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(COC5)CO −11.6 ± 0.3
370 EN300-80083_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCCC(=O)N5 −11.6 ± 0.3
371 EN300-79497_1_1_1 molecule Cn1cc(c(=O)n(c1=O)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.4
372 EN300-56202_1_1_1 molecule CC(=O)N1CSC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.4
373 EN300-185378_3_2_1 molecule C[C@H](COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.6 ± 0.3
374 EN300-6736413_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5CCNC5=O −11.6 ± 0.2
375 EN300-6736413_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5CCNC5=O −11.6 ± 0.2
376 EN300-300217_1_1_1 molecule C/C=C\[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.6 ± 0.3
377 CHO-MSK-5891c1ff-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@H](CO5)CO −11.6 ± 0.3
378 EDG-MED-90036822-94_9 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 −11.6 ± 0.2
379 EN300-178876_1_2_1 molecule C[C@]1(CCCNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.4
380 EN300-341337_1_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56CCO[C@H]5CCOC6 −11.6 ± 0.3
381 EN300-6494158_3_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5C[C@H](CO5)CO −11.6 ± 0.3
382 MIC-UNK-50cce87d-11_2 molecule Cc1cccc2c1c(cnc2)N3CCC[C@H](C3=O)c4cccc(c4)Cl −11.6 ± 0.3
383 EN300-6737762_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCCNC5=O −11.6 ± 0.2
384 EN300-171766_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5n[nH]c(=O)s5 −11.6 ± 0.2
385 EN300-702756_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CS(=O)(=O)CC(=O)N5 −11.6 ± 0.3
386 EN300-28262_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC=Nc6n5ncn6 −11.6 ± 0.3
387 EN300-1248064_1_1_1 molecule CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 −11.6 ± 0.2
388 EN300-6499639_1_1_2 molecule CC1=N[N@@]([C@H](C1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.6 ± 0.2
389 EN300-04520_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(c5)S(=O)(=O)N −11.6 ± 0.3
390 EN300-126104_1_1_1 molecule Cc1cccn(c1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
391 EN300-6479181_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@@H]6N5C(=O)CC6 −11.6 ± 0.4
392 EN300-6736394_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]56C[C@@H](CCO5)OC6 −11.6 ± 0.3
393 EN300-315963_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cnoc5 −11.6 ± 0.3
394 EN300-220194_1_4_1 molecule C[C@H]([C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC −11.6 ± 0.3
395 EN300-1073264_1_1_1 molecule Cn1cc(nn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
396 EN300-207765_3_2_1 molecule CN1[C@H](CCC1=O)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
397 EN300-7355981_1_1_1 molecule Cn1c2c(c(n1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)nc[nH]c2=O −11.6 ± 0.3
398 EN300-317082_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC5COC5 −11.6 ± 0.2
399 EN300-14767_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCN(C5)C(=O)N −11.6 ± 0.4
400 EN300-203293_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CNC(=O)O5 −11.6 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
Generated by fah-xchem version 0.1.0+78.gc30b862.dirty