Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
301 |
EN300-47500_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCCn5cccn5 |
−9.2
± 0.3
|
302 |
EN300-1592151_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6ncnn6c5 |
−9.2
± 0.2
|
303 |
EN300-82037_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccon5 |
−9.2
± 0.2
|
304 |
EN300-20980_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cnnn5 |
−9.2
± 0.2
|
305 |
EN300-246440_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6cncn6 |
−9.2
± 0.2
|
306 |
EN300-379219_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C[C@H]6CNC(=O)O6 |
−9.2
± 0.2
|
307 |
EN300-331993_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)Nc5[nH]ccn5 |
−9.2
± 0.2
|
308 |
EN300-06654_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cncn5 |
−9.2
± 0.2
|
309 |
EN300-06654_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cncn5 |
−9.2
± 0.2
|
310 |
EN300-70489_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)C#N |
−9.2
± 0.3
|
311 |
EN300-269453_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6nnnn6C5 |
−9.2
± 0.2
|
312 |
EN300-307567_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)Cn6ccnn6 |
−9.2
± 0.3
|
313 |
EN300-51350_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6nncn6C5 |
−9.2
± 0.2
|
314 |
EN300-146174_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)CO |
−9.2
± 0.2
|
315 |
EN300-6737762_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCCNC5=O |
−9.2
± 0.2
|
316 |
EN300-146174_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)CO |
−9.2
± 0.2
|
317 |
EN300-261210_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCOC5)C#N |
−9.2
± 0.3
|
318 |
EN300-261210_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCOC5)C#N |
−9.2
± 0.3
|
319 |
VLA-UCB-50c39ae8-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4O[C@@H]5CC(=O)N5)Cl)CCC6CCCCC6 |
−9.2
± 0.4
|
320 |
EN300-220676_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCCS(=O)(=O)C5 |
−9.2
± 0.4
|
321 |
EN300-23942_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cccn5 |
−9.2
± 0.2
|
322 |
EN300-1718675_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnnn5C6CC6 |
−9.2
± 0.2
|
323 |
EN300-316258_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COCc5cc[nH]c(=O)c5 |
−9.2
± 0.3
|
324 |
EN300-74089_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)C#N |
−9.2
± 0.3
|
325 |
EN300-301925_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCCOC5)C#N |
−9.2
± 0.3
|
326 |
EN300-706065_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(C5(CCOCC5)O)(F)F |
−9.2
± 0.3
|
327 |
EN300-135530_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccnc5C(=O)N |
−9.2
± 0.2
|
328 |
EN300-783124_1_4 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]([C@H]5CCOC5)F |
−9.2
± 0.2
|
329 |
EN300-7438185_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6nncn6nc5 |
−9.2
± 0.2
|
330 |
EN300-38979_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccnc5 |
−9.2
± 0.2
|
331 |
EN300-38979_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccnc5 |
−9.2
± 0.2
|
332 |
EN300-6499531_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCCCS5(=O)=O |
−9.2
± 0.3
|
333 |
EN300-111006_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccncn5 |
−9.2
± 0.2
|
334 |
EN300-96159_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5[nH]ncn5 |
−9.2
± 0.2
|
335 |
VLA-UCB-50c39ae8-8_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@H]5CC(=O)N5)Cl |
−9.2
± 0.2
|
336 |
EN300-85760_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCO5 |
−9.2
± 0.2
|
337 |
EN300-1072972_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCOC5=O |
−9.2
± 0.3
|
338 |
EN300-60033_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC[C@H]5CCCO5 |
−9.2
± 0.2
|
339 |
EN300-131051_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(ccn5)C(=O)N |
−9.2
± 0.2
|
340 |
EN300-67023_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C[C@H]5CCCO5 |
−9.2
± 0.4
|
341 |
EN300-6472316_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5c(cnc6n5ncn6)C#N |
−9.2
± 0.2
|
342 |
EN300-6482296_1_5 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CO[C@H]6[C@H]5COC6 |
−9.2
± 0.2
|
343 |
EN300-181558_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCC(CC5)O)O |
−9.2
± 0.3
|
344 |
EN300-6497444_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5OC[C@@H](C6)O |
−9.2
± 0.2
|
345 |
EN300-7433864_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]c(=O)n(c5=O)C6CC6 |
−9.2
± 0.3
|
346 |
EN300-366687_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6nncn6CC5 |
−9.2
± 0.2
|
347 |
EN300-20980_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cnnn5 |
−9.2
± 0.2
|
348 |
EN300-144606_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn[nH]c5S(=O)(=O)N |
−9.2
± 0.3
|
349 |
EN300-60033_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC[C@@H]5CCCO5 |
−9.1
± 0.2
|
350 |
EN300-252018_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6c(nc[nH]6)ncn5 |
−9.1
± 0.2
|
351 |
EN300-3710141_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCCO5)C#N |
−9.1
± 0.3
|
352 |
EN300-203940_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]n6c5nccc6=O |
−9.1
± 0.2
|
353 |
EN300-303519_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5OCC6 |
−9.1
± 0.2
|
354 |
EN300-151423_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCOCC5)O |
−9.1
± 0.2
|
355 |
EN300-7183657_1_1 |
|
C[C@]1(C[C@@H](C1)C(=O)N[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5)O |
−9.1
± 0.2
|
356 |
EN300-7461023_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)N(=O)=O |
−9.1
± 0.2
|
357 |
EN300-122656_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCSC5)O |
−9.1
± 0.5
|
358 |
EN300-149975_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCC5)CO |
−9.1
± 0.2
|
359 |
EN300-179091_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC(F)F |
−9.1
± 0.2
|
360 |
EN300-1696962_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCCn5cnnn5 |
−9.1
± 0.2
|
361 |
EN300-393121_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(=O)[nH]ccn6n5 |
−9.1
± 0.2
|
362 |
EN300-171766_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5n[nH]c(=O)s5 |
−9.1
± 0.2
|
363 |
EN300-247428_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CC6CC6 |
−9.1
± 0.2
|
364 |
EN300-373791_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ccnn5CC#N |
−9.1
± 0.3
|
365 |
EN300-42195_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)CNC(=O)N |
−9.1
± 0.3
|
366 |
EN300-6745581_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nncn5C6CC6 |
−9.1
± 0.2
|
367 |
EN300-53423_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCOC5 |
−9.1
± 0.2
|
368 |
EN300-246248_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CCNC5=O |
−9.1
± 0.2
|
369 |
EN300-239219_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nc(no5)c6cnccn6 |
−9.1
± 0.2
|
370 |
EN300-6238494_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[C@@H]5COCCO5 |
−9.1
± 0.3
|
371 |
EN300-122319_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(=O)[nH]c(=O)[nH]n5 |
−9.1
± 0.2
|
372 |
EN300-6731334_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CCN(CC5)S(=O)(=O)C6 |
−9.1
± 0.3
|
373 |
EN300-171481_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5(CCC5)OCCO |
−9.1
± 0.3
|
374 |
EN300-108236_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(nn5)CO |
−9.0
± 0.2
|
375 |
EN300-83766_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC#CCO |
−9.0
± 0.2
|
376 |
EDJ-MED-e4b030d8-6_1
|
|
CCC[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl |
−9.0
± 0.1
|
377 |
EN300-7459916_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC(=O)CO |
−9.0
± 0.2
|
378 |
EN300-90142_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC[C@@H](C5)C(=O)N |
−9.0
± 0.3
|
379 |
EN300-6759972_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](CC5)NC(=O)N |
−9.0
± 0.3
|
380 |
EN300-24297_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5csnn5 |
−9.0
± 0.2
|
381 |
EN300-05512_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N[C@H]5CCS(=O)(=O)C5 |
−9.0
± 0.3
|
382 |
EN300-46832_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC[C@@H]5CCOC5 |
−9.0
± 0.3
|
383 |
EN300-103722_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5OCCC6 |
−9.0
± 0.2
|
384 |
DAR-DIA-6a508060-5_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@@H]5CC(=O)N5)Cl |
−9.0
± 0.2
|
385 |
EN300-315963_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnoc5 |
−9.0
± 0.2
|
386 |
EN300-1241327_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCOCC5 |
−9.0
± 0.2
|
387 |
EN300-1241327_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCOCC5 |
−9.0
± 0.2
|
388 |
EN300-113218_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS[C@@H]5CCOC5=O |
−9.0
± 0.2
|
389 |
EN300-04520_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(c5)S(=O)(=O)N |
−9.0
± 0.2
|
390 |
EN300-58433_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)n6cncn6 |
−9.0
± 0.2
|
391 |
EN300-140582_3_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5COCC[N@]5CC(F)F |
−9.0
± 0.3
|
392 |
EN300-1700760_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC6(C5)CC(=O)N6 |
−9.0
± 0.2
|
393 |
EN300-341337_1_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]56CCO[C@@H]5CCOC6 |
−9.0
± 0.3
|
394 |
EN300-6474740_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CCN(CC5)c6[nH]ncn6 |
−9.0
± 0.3
|
395 |
EN300-100741_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5[nH]ncn5 |
−9.0
± 0.2
|
396 |
EN300-52193_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CCO |
−9.0
± 0.2
|
397 |
EN300-341337_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56CCO[C@@H]5CCOC6 |
−9.0
± 0.2
|
398 |
EN300-20496_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCOC5=O |
−9.0
± 0.2
|
399 |
EN300-364679_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCn5cnnn5 |
−9.0
± 0.2
|
400 |
EN300-183231_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCc5n[n-]nn5 |
−9.0
± 0.2
|