Microstates

Showing 4301 through 4400 of 7698
Rank Microstate SMILES ΔG / kcal M-1
4301 EN300-143564_1_2_1 molecule CN1[C@@H](SCC1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.2
4302 ALP-POS-d91e0300-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl −8.93 ± 0.05
4303 EDG-MED-90036822-109_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[N@H+]5CC[C@@H](C5)F −8.9 ± 0.3
4304 MIC-UNK-5a93dd5f-12_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[N@]4CC[C@@H](C4)[NH+]5CCCCC5 −8.9 ± 0.5
4305 EN300-395719_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCO[C@H]6COC[C@H]6C5 −8.9 ± 0.3
4306 EN300-249245_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(C(F)F)O −8.9 ± 0.2
4307 JOH-UNI-ee5ed7c8-9_1 molecule CN(c1c2ccccc2cnc1C#N)C(=O)Cc3cccc(c3)Cl −8.9 ± 0.3
4308 MAT-POS-8a69d52e-1_3 molecule C[C@@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −8.93 ± 0.05
4309 EN300-44873_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[N@@]5CCCS5(=O)=O −8.9 ± 0.4
4310 EN300-1588613_3_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC[N@H+]6[C@H]5COCC6 −8.9 ± 0.5
4311 EN300-24014_3_1_1 molecule CS(=O)(=O)[N@@]1CCCC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.4
4312 EDJ-MED-d08626de-4_1 molecule CO[C@]1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.1
4313 EN300-318305_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC6(C5)CS(=O)(=O)C6 −8.9 ± 0.2
4314 EN300-26603_1_1_1 molecule Cn1c2ccccc2n(c1=O)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.9 ± 0.3
4315 MAT-POS-8a69d52e-1_4_1 molecule C[C@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −8.92 ± 0.10
4316 EN300-65115_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)O −8.9 ± 0.2
4317 EN300-6255179_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cncn5 −8.9 ± 0.3
4318 EN300-6255179_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cncn5 −8.9 ± 0.3
4319 EDG-MED-ba1ac7b9-20_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H]5CC(F)F −8.9 ± 0.3
4320 EN300-1724771_3_1_1 molecule CC(=O)N1CCN(CC1)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.3
4321 EN300-1724771_3_1_1 molecule CC(=O)N1CCN(CC1)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.3
4322 EN300-1268016_1_15_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]6[C@H]5C[C@H](C6)C(=O)N −8.9 ± 0.3
4323 EN300-373446_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)[C@H](CO)O −8.9 ± 0.6
4324 EDJ-MED-50011917-2_2 molecule Cc1c(cc(cc1O[C@H]2CC(=O)N2)Cl)CC(=O)Nc3cncc4c3cccc4 −8.9 ± 0.4
4325 EN300-152705_1_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −8.9 ± 0.2
4326 EN300-144970_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)CO −8.9 ± 0.3
4327 EN300-144970_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)CO −8.9 ± 0.3
4328 EN300-1644723_2_5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5[C@@H]6[C@H]5COCC6 −8.9 ± 0.3
4329 EN300-1789253_2_1_1 molecule Cn1cc(nn1)c2cc(no2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.9 ± 0.3
4330 EN300-80083_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCCC(=O)N5 −8.9 ± 0.4
4331 EN300-704025_2_1_1 molecule COC1(CS(=O)(=O)C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.3
4332 EDG-MED-90036822-51_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](CCF)O −8.9 ± 0.3
4333 EN300-6763470_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](C(=O)N)C(F)(F)F −8.9 ± 0.2
4334 EN300-66494_3_1_1 molecule CNC(=O)NCCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.3
4335 KAD-UNI-80f122c8-3_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6CS(=O)(=O)C[C@H]6C5 −8.9 ± 0.3
4336 EN300-297144_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CCO)CO −8.9 ± 0.3
4337 EN300-217107_4_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CC[C@@H]5C(=O)N −8.9 ± 0.4
4338 EN300-6498351_3_1_1 molecule Cc1c([n+](c[nH]1)C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.3
4339 EN300-6498351_3_1_1 molecule Cc1c(n(cn1)C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.3
4340 EN300-6498351_3_1_1 molecule Cc1c(n(cn1)C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.3
4341 EN300-7536177_3_1_1 molecule Cc1ncnn1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.3
4342 EN300-378373_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)COC5CC5 −8.9 ± 0.3
4343 MAK-UNK-c749d764-28_8 molecule c1ccc2c(c1)cncc2N(C=O)C(=O)C[C@H]3CCC[C@H]([C@H]3O)C(F)F −8.9 ± 0.4
4344 JOH-SUS-a69c159d-2_1_1 molecule c1ccc2c(c1)c(cnc2F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.91 ± 0.06
4345 EDG-MED-90036822-5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CF)[NH3+] −8.9 ± 0.3
4346 MIC-UNK-08fa0751-1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4C(CO)(F)F)Cl −8.9 ± 0.4
4347 EN300-366974_1_1_1 molecule CN(CCS(=O)(=O)N)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.3
4348 MAT-POS-e9e99895-13_6 molecule C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)[C@@H]4CC[N@H+](C4)C −8.9 ± 0.5
4349 EN300-1600517_4_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H](CO)F −8.9 ± 0.4
4350 EN300-52589_1_1_1 molecule Cn1c(nc2c1c(=O)[nH]c(=O)n2C)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.9 ± 0.3
4351 EN300-120586_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)NCC(F)F −8.9 ± 0.3
4352 EN300-296237_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)C(F)(F)F −8.9 ± 0.4
4353 EN300-249804_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCOC(=O)N5 −8.9 ± 0.2
4354 EN300-18074_4_1_1 molecule CC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.3
4355 EN300-7435892_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5COC[C@@H]5C(=O)N −8.9 ± 0.3
4356 EN300-734638_1_1_1 molecule COc1cc(=O)[nH]cc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.4
4357 EN300-307592_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CC(C5)O −8.9 ± 0.2
4358 EDJ-MED-ee07cf00-12_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)COc4ccc(cc4)C(=O)N −8.9 ± 0.6
4359 EN300-01527_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC[C@H]5CCCO5 −8.9 ± 0.3
4360 EN300-1448603_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCS(=O)(=O)C5 −8.9 ± 0.4
4361 EN300-1448603_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCS(=O)(=O)C5 −8.9 ± 0.4
4362 EN300-88417_1_1_1 molecule Cn1cncc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.2
4363 ED_-GRI-5b13fbe2-70_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5C[C@H]5[NH3+] −8.9 ± 0.3
4364 MIC-UNK-cdc2493e-15_2 molecule c1ccc2c(c1)cncc2NC(=O)N(CC[C@H]3CCCS3(=O)=O)c4cccc(c4)Cl −8.9 ± 0.3
4365 EN300-69070_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)C(=O)N −8.9 ± 0.2
4366 EN300-28106_2_2_1 molecule C[C@H](C(=O)N1CCN(CC1)C(=O)C)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.3
4367 DAR-DIA-6a508060-10_2_1 molecule C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.1
4368 EN300-7353672_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](CC5)O)CO −8.9 ± 0.4
4369 EN300-33553_1_1_1 molecule Cc1c(c(=O)[nH]cn1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.3
4370 ALP-POS-477dc5b7-2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(cc4)Cl −8.90 ± 0.09
4371 EN300-1724086_2_2_1 molecule C[C@H]1C[C@@H](CN(C1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −8.9 ± 0.2
4372 EN300-28177_2_4_1 molecule C[C@H](C(=O)N1CCC[C@H](C1)C(=O)N)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.4
4373 BEN-DND-f2e727cd-6_2 molecule C[N@H+]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl −8.9 ± 0.3
4374 ED_-GRI-5b13fbe2-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC[NH2+]Cc5cc(no5)C(=O)[O-] −8.9 ± 0.5
4375 EDG-MED-4c68219f-11_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCCC(=O)[O-] −8.9 ± 0.3
4376 LEE-CAM-7ab9b158-1_1 molecule C[NH+](C)[C@@H]1COC[C@@H]1OC[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.4
4377 EN300-317555_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5[NH2+]CCO5 −8.9 ± 0.3
4378 EN300-79022_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cccnn5 −8.9 ± 0.3
4379 EN300-269453_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCc6nnnn6C5 −8.9 ± 0.3
4380 EN300-19700_4_1_1 molecule COC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.3
4381 EN300-19700_4_1_1 molecule COC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.3
4382 EN300-19700_4_1_1 molecule COC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.3
4383 EN300-13000_1_1_1 molecule CN(CC(=O)OC)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.3
4384 JAG-UCB-706446eb-4_1_1 molecule CCOC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.2
4385 PET-UNK-8df914d1-1_1 molecule COc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl −8.9 ± 0.3
4386 KAD-UNI-8a629cb0-26_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC6(C5)CCO6 −8.9 ± 0.2
4387 EN300-262745_2_1_1 molecule CCn1cc(nn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.2
4388 EN300-247468_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC56COC6 −8.9 ± 0.2
4389 EN300-160143_1_1_1 molecule CN1CCCN(CC1=O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.3
4390 EN300-160143_1_1_1 molecule CN1CCCN(CC1=O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.3
4391 EN300-716082_1_1_1 molecule C[n+]1c(cc[nH]1)[C@@H](CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.9 ± 0.3
4392 ALP-UNI-76695c4f-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6CS(=O)(=O)C[C@@H]6C5 −8.9 ± 0.4
4393 MAT-POS-e9e99895-2_5 molecule CC(C)[N@@H+]1CCO[C@@H](C1)C(=O)N[C@](C)(c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.6
4394 ALF-EVA-5b152d2f-2_1 molecule Cc1ccc2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.89 ± 0.06
4395 EN300-227044_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(CO)C#N −8.9 ± 0.2
4396 ALP-POS-d3acb8cc-4_1_1 molecule C[C@@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −8.89 ± 0.05
4397 EN300-02015_2_1_1 molecule COCCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.4
4398 KAD-UNI-8a629cb0-16_1 molecule CCN1CN(CC1=O)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.2
4399 EDG-MED-90036822-98_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC[N@@]5CC(F)F −8.9 ± 0.2
4400 EN300-262389_1_1_1 molecule C[C@]1(CC[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.9 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
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