Microstates

Showing 301 through 400 of 487
Rank Microstate SMILES ΔG / kcal M-1
301 EDJ-MED-d4864bdc-4_1 molecule C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −5.8 ± 0.2
302 EDJ-MED-b6c6ee2b-4_2 molecule c1cc2cncc(c2cc1Cl)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.8 ± 0.5
303 MAT-POS-853c0ffa-5_2 molecule c1cc2cncc(c2c(c1)Cl)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.8 ± 0.4
304 EDJ-MED-468565e0-3_2 molecule c1cc2cncc(c2cc1OCCN3CCS(=O)(=O)CC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −5.8 ± 0.7
305 ALP-POS-ecbed2ba-4_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.7 ± 0.4
306 ALP-POS-ecbed2ba-17_4 molecule C[N@](CC#N)S(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −5.7 ± 0.7
307 EDJ-MED-ee81482e-2_2 molecule C[NH+]1CC(C1)Oc2ccc3cncc(c3c2)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −5.7 ± 0.8
308 EDJ-MED-5cd3920d-6_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F −5.7 ± 0.3
309 MAT-POS-38eb6498-2_2 molecule CNC(=O)c1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.7 ± 0.5
310 EDJ-MED-7587a9ee-3_2 molecule CS(=O)(=O)[N@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −5.7 ± 0.2
311 ALP-POS-ecbed2ba-20_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)N6CCC6 −5.6 ± 0.5
312 MAT-POS-40ad851a-1_5 molecule C[N@@H+]1CCC[C@@H]1COc2ccc3cncc(c3c2)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −5.6 ± 0.8
313 MAT-POS-50a80394-5_1 molecule CC[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −5.6 ± 0.3
314 ALP-POS-afe0272e-1_2 molecule CNC(=O)C[N@H+]1Cc2cc(c(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)Cl −5.6 ± 0.2
315 ALP-POS-ecbed2ba-18_2 molecule CC[N@](C)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −5.6 ± 0.3
316 EDJ-MED-ee81482e-3_2 molecule C[NH+](C)C[C@H](COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O −5.5 ± 0.5
317 PET-UNK-94036022-10_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −5.5 ± 0.4
318 MAT-POS-853c0ffa-12_1 molecule CC(C)(c1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC)O −5.5 ± 0.4
319 MAT-POS-50a80394-4_1 molecule C[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −5.5 ± 0.3
320 MAT-POS-69786b79-2_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6CC6 −5.5 ± 0.3
321 MAT-POS-1d5ab790-1_1 molecule c1cc2cncc(c2c(c1)Cl)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.5 ± 0.3
322 MAT-POS-40ad851a-2_3 molecule CC[N@@H+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.5 ± 0.6
323 EDJ-MED-ee81482e-4_2 molecule c1cc2cncc(c2cc1OC3CC[NH2+]CC3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −5.5 ± 0.8
324 ALP-POS-ecbed2ba-7_2 molecule CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −5.5 ± 0.2
325 EDJ-MED-5cd3920d-5_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)F −5.5 ± 0.5
326 EDJ-MED-ee81482e-3_1 molecule C[NH+](C)C[C@@H](COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O −5.5 ± 0.5
327 LUO-POS-b4dec3be-2_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl −5.5 ± 0.2
328 ALP-POS-ecbed2ba-2_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCS(=O)(=O)CC6)C#N −5.5 ± 0.4
329 EDJ-MED-b6c6ee2b-3_2 molecule COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.5 ± 0.5
330 ALP-POS-4483ae88-1_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl −5.5 ± 0.1
331 ALP-POS-ecbed2ba-13_1 molecule CC(C)(CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N −5.4 ± 0.4
332 ALP-POS-ecbed2ba-6_1 molecule COC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −5.4 ± 0.3
333 EDJ-MED-ede5c6cb-1_1 molecule CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −5.4 ± 0.2
334 EDJ-MED-b6c6ee2b-2_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl −5.4 ± 0.3
335 MAT-POS-b4d6b7fc-7_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl −5.4 ± 0.3
336 ALP-POS-ecbed2ba-5_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CS(=O)(=O)C6 −5.4 ± 0.8
337 MAT-POS-853c0ffa-15_2 molecule CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.3 ± 0.6
338 MAT-POS-853c0ffa-17_2 molecule CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl −5.3 ± 0.3
339 EDJ-MED-94fddcec-5_1 molecule CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −5.3 ± 0.2
340 MIK-ENA-5d9157e9-1_2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.3 ± 0.4
341 MAT-POS-853c0ffa-6_1 molecule c1cc2c(cc1Cl)[C@@]3(CCN(C3=O)c4cncc5c4c(cc(c5)F)Cl)C[N@@](C2)S(=O)(=O)CC6(CC6)C#N −5.2 ± 0.5
342 EDJ-MED-b6c6ee2b-2_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl −5.2 ± 0.2
343 MAT-POS-853c0ffa-16_2 molecule COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl −5.2 ± 0.4
344 MAT-POS-69786b79-4_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N −5.2 ± 0.3
345 MAT-POS-853c0ffa-14_2 molecule COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl −5.2 ± 0.5
346 PET-UNK-7e9559de-4_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6nncs6 −5.2 ± 0.2
347 MAT-POS-50a80394-7_1 molecule CC1(CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C −5.2 ± 0.3
348 MAT-POS-50a80394-8_2 molecule CC1(CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6)C −5.2 ± 0.5
349 EDJ-MED-b6c6ee2b-1_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+](C)C)Cl −5.1 ± 0.4
350 EDJ-MED-d4864bdc-3_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −5.1 ± 0.1
351 MAT-POS-853c0ffa-5_1 molecule c1cc2cncc(c2c(c1)Cl)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.1 ± 0.4
352 EDJ-MED-8bb691af-4_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −5.1 ± 0.2
353 EDJ-MED-7e491f08-1_2 molecule c1ccc2c(c1)cncc2N3CC([C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)(F)F −5.1 ± 0.6
354 MAT-POS-853c0ffa-15_1 molecule CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.1 ± 0.5
355 MAT-POS-853c0ffa-8_2 molecule COC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl −5.0 ± 0.4
356 MAT-POS-853c0ffa-20_2 molecule CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)C(C)(C)O)Cl −5.0 ± 0.5
357 EDJ-MED-a12e3a20-1_2 molecule c1ccc2c(c1)cncc2N3CC(=O)[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.0 ± 0.5
358 MAT-POS-50a80394-6_1 molecule CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −5.0 ± 0.3
359 MIK-ENA-5d9157e9-1_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.0 ± 0.5
360 EDJ-MED-94fddcec-4_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −4.9 ± 0.2
361 LUO-POS-b4dec3be-1_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl −4.9 ± 0.2
362 MAT-POS-853c0ffa-11_2 molecule CC(C)(c1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O −4.9 ± 0.5
363 ALP-POS-ecbed2ba-11_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCOCC6)C#N −4.9 ± 0.7
364 ALP-POS-ecbed2ba-14_2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC#N −4.9 ± 0.3
365 MAT-POS-853c0ffa-19_2 molecule CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCC[NH+](C)C)Cl −4.8 ± 0.6
366 MAT-POS-50a80394-6_3 molecule CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −4.8 ± 0.4
367 LUO-POS-868e8996-12_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −4.8 ± 0.3
368 EDJ-MED-98c0a822-1_2 molecule CNC(=O)C1(CCC1)[N@]2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl −4.8 ± 0.4
369 ALP-POS-ecbed2ba-14_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC#N −4.8 ± 0.3
370 ALP-POS-4483ae88-2_1 molecule CNC(=O)C[N@@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl −4.8 ± 0.2
371 MAT-POS-40ad851a-3_2 molecule CC[NH+](CC)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −4.8 ± 0.6
372 MAT-POS-50a80394-5_3 molecule CC[C@@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −4.8 ± 0.2
373 MAT-POS-b4d6b7fc-6_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl −4.8 ± 0.2
374 EDJ-MED-d7486dd1-1_2 molecule Cc1cc(cc2c1c(cnc2)N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl)S(=O)(=O)C −4.8 ± 0.1
375 MAT-POS-853c0ffa-16_1 molecule COC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl −4.8 ± 0.4
376 LUO-POS-868e8996-11_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −4.8 ± 0.3
377 MAT-POS-50a80394-7_2 molecule CC1(CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C −4.7 ± 0.2
378 MAT-POS-40ad851a-1_2 molecule C[N@H+]1CCC[C@@H]1COc2ccc3cncc(c3c2)N4CC[C@@]5(C4=O)C[N@@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −4.7 ± 0.8
379 MAT-POS-c7726e07-5_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −4.7 ± 0.2
380 EDJ-MED-98c0a822-2_2 molecule CNC(=O)C1(COC1)[N@]2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl −4.7 ± 0.3
381 MAT-POS-c7726e07-6_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −4.7 ± 0.2
382 MAT-POS-1d5ab790-2_2 molecule CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl −4.6 ± 0.2
383 EDJ-MED-d7486dd1-1_1 molecule Cc1cc(cc2c1c(cnc2)N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl)S(=O)(=O)C −4.6 ± 0.1
384 EDJ-MED-b6c6ee2b-1_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCC[NH+](C)C)Cl −4.6 ± 0.4
385 EDJ-MED-f9b78f78-4_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl −4.6 ± 0.2
386 MAT-POS-853c0ffa-12_2 molecule CC(C)(c1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC)O −4.6 ± 0.5
387 LUO-POS-b4dec3be-2_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl −4.6 ± 0.3
388 MAT-POS-853c0ffa-17_1 molecule CC1(CC1)CS(=O)(=O)[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl −4.6 ± 0.3
389 EDJ-MED-ee81482e-1_2 molecule c1cc2cncc(c2cc1OC3C[NH2+]C3)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −4.5 ± 0.5
390 EDJ-MED-98c0a822-2_1 molecule CNC(=O)C1(COC1)[N@@]2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl −4.5 ± 0.3
391 MAT-POS-50a80394-4_3 molecule C[C@@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −4.5 ± 0.2
392 PET-UNK-94036022-6_1 molecule C=C1C(=O)[C@]2(C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 −4.4 ± 0.3
393 ALP-POS-41e2080f-1_1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −4.4 ± 0.2
394 EDJ-MED-a6bab6fb-1_1 molecule Cc1cccc2c1c(cnc2)N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl −4.40 ± 0.09
395 ALP-POS-ecbed2ba-22_2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)CC#N −4.4 ± 0.4
396 MAT-POS-40ad851a-1_7 molecule C[N@@H+]1CCC[C@H]1COc2ccc3cncc(c3c2)N4CC[C@@]5(C4=O)C[N@](Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −4.3 ± 0.7
397 EDJ-MED-8bb691af-7_2 molecule CNC(=O)CN1C[C@]2(CCN(C2)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −4.3 ± 0.1
398 ALP-POS-afe0272e-1_1 molecule CNC(=O)C[N@@H+]1Cc2cc(c(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)Cl −4.3 ± 0.3
399 MAT-POS-c7726e07-5_1 molecule CNC(=O)C[N@@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −4.2 ± 0.3
400 ALP-POS-ecbed2ba-7_1 molecule CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −4.2 ± 0.2
Last updated 2022-01-08T06:28:24.208501+00:00
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