Microstates

Showing 1301 through 1400 of 11295
Rank Microstate SMILES ΔG / kcal M-1
1301 EN300-331993_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)Nc5[nH]ccn5 −11.1 ± 0.3
1302 EN300-244659_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@H]5CO)F −11.1 ± 0.3
1303 EN300-208236_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCc6c5nn[nH]6 −11.1 ± 0.2
1304 EN300-131219_1_1 molecule Cc1nc(no1)Cn2cc(cn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.1 ± 0.3
1305 EN300-105267_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)Nc5cnccn5 −11.1 ± 0.3
1306 EN300-1072972_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCOC5=O −11.1 ± 0.2
1307 EN300-7463161_2_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)CNC(=O)[C@H]5C[C@H](C5)n6cnnc6)cc1 −11.1 ± 0.2
1308 EN300-6472771_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5[C@H](CCC[C@H]5CO)CO −11.1 ± 0.5
1309 EN300-204936_1_1 molecule Cn1c(cnn1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.2
1310 EN300-193679_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@]5(CCCOC5)O −11.1 ± 0.2
1311 EN300-155498_3_1 molecule CC(=C)[C@H](CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.1 ± 0.2
1312 ALP-UNI-44c99a80-3_1 molecule c1ccc2c(c1)cncc2N(Cc3cnco3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −11.1 ± 0.2
1313 EN300-91314_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)Cc6cccnc6 −11.1 ± 0.3
1314 EN300-124918_1_1 molecule Cn1c(=O)[nH]c(n1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.2
1315 EN300-217494_3_1 molecule C[C@@]([C@@H]1CCOC1)(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.1 ± 0.3
1316 EN300-05754_3_2 molecule C[C@H](C(=O)N1CCOCC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1317 EN300-18610_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)C(=O)N −11.1 ± 0.4
1318 EN300-1268016_1_11 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 −11.1 ± 0.3
1319 EN300-314274_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cncc6c5CCNC6=O −11.1 ± 0.3
1320 EN300-19242_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CO −11.1 ± 0.3
1321 EN300-1708848_1_1 molecule C[C@@H]([C@@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.1 ± 0.4
1322 EN300-10170_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CO)NC(=O)N −11.1 ± 0.2
1323 EN300-31077_1_1 molecule Cn1c(ccn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.2
1324 EN300-245264_3_1 molecule CC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnc(n5)C#N −11.1 ± 0.6
1325 EN300-217107_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC[C@H]5C(=O)N −11.1 ± 0.3
1326 EN300-105110_3_1 molecule Cc1cc(n[nH]1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.4
1327 EN300-7473378_3_1 molecule CN1CCC(CC1)(C#N)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.4
1328 EN300-23942_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cccn5 −11.1 ± 0.3
1329 EN300-135660_1_1 molecule CC1(COC1)Cn2cc(nn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.1 ± 0.3
1330 EN300-34542_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@H]5C(=O)N −11.1 ± 0.4
1331 EN300-6481960_1_1 molecule Cn1c(c2c(n1)CCOC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.1 ± 0.3
1332 EN300-31183_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)COC −11.1 ± 0.4
1333 EN300-20375_3_1 molecule COCCOCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.3
1334 EN300-35778_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(CC5)C(=O)N −11.1 ± 0.3
1335 EN300-1703143_1_1 molecule CC(C)(C)c1nnn(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1336 EN300-143564_1_1 molecule CN\1C(=O)CS/C1=C\C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.2
1337 EN300-113218_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS[C@H]5CCOC5=O −11.1 ± 0.3
1338 EN300-51832_3_1 molecule Cc1cnn(c1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1339 EN300-349304_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@H](C5)O)O −11.1 ± 0.2
1340 EN300-174668_3_1 molecule CO[C@@]1(CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.4
1341 EN300-2007627_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@@H](C5)CO)CO −11.1 ± 0.3
1342 EN300-96159_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5[nH]cnn5 −11.1 ± 0.2
1343 EN300-1725529_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCCO)C5COC5 −11.1 ± 0.3
1344 EN300-40888_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCC(=O)N −11.1 ± 0.2
1345 EN300-1710153_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C(C5)(F)F)O −11.1 ± 0.3
1346 EN300-6486576_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5nnc(o5)N6CCOCC6 −11.1 ± 0.2
1347 EN300-245264_1_1 molecule CC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnc(n5)C#N −11.1 ± 0.3
1348 EN300-36111_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCCC5=O −11.1 ± 0.3
1349 EN300-1718194_1_2 molecule CO[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −11.1 ± 0.3
1350 EN300-82037_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccon5 −11.1 ± 0.2
1351 EN300-1722017_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)n6nccn6 −11.1 ± 0.3
1352 EN300-204133_3_1 molecule COC1(CCOCC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.4
1353 EN300-649743_2_1 molecule C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)Cn5cnnn5 −11.1 ± 0.4
1354 EN300-109540_1_1 molecule C[C@@H](c1cn(nn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.1 ± 0.4
1355 EN300-188341_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5ccc(cn5)O −11.1 ± 0.4
1356 EN300-30768_1_4 molecule C[C@H]1C[C@H]1C(=O)NCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1357 EN300-11934_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCC5=O −11.1 ± 0.3
1358 EN300-1697005_3_1 molecule CCC(=O)N1CSC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1359 EN300-185398_1_1 molecule C[C@@H](C(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F)O −11.1 ± 0.2
1360 EN300-139167_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5COCCO5 −11.1 ± 0.3
1361 EN300-139167_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5COCCO5 −11.1 ± 0.3
1362 EN300-139167_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5COCCO5 −11.1 ± 0.3
1363 EN300-6238494_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)[C@@H]5COCCO5 −11.1 ± 0.3
1364 EN300-6970573_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(COC5)CF −11.1 ± 0.3
1365 EN300-6479181_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@H]6N5C(=O)CC6 −11.1 ± 0.3
1366 EN300-7439284_1_1 molecule COc1cn[nH]c1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1367 EN300-257405_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(CC#N)O −11.1 ± 0.3
1368 EN300-6486793_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCCC5)S(=O)(=O)N −11.1 ± 0.6
1369 EN300-201346_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COC(=O)N5 −11.1 ± 0.2
1370 EN300-244947_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5c[nH]nn5 −11.1 ± 0.3
1371 EN300-120920_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5CCC(=O)NC5=O −11.1 ± 0.2
1372 EN300-14752_1_2 molecule CC(=O)N1CCC[C@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1373 EN300-132157_2_2 molecule C[C@]1(CC(=O)NC1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1374 EN300-255496_1_1 molecule CN1CC[C@@H](S1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1375 EN300-75464_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)c6ccnn6cn5 −11.1 ± 0.3
1376 EN300-1723663_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCN(C(=O)C5)CCO −11.1 ± 0.3
1377 EN300-1709410_1_4 molecule C[C@H]1C[C@H](N1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −11.1 ± 0.3
1378 EN300-717276_1_1 molecule CCn1cc(nn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1379 EN300-6746918_3_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)CCNC(=O)[C@H]5C[C@](C5)(F)CO)cc1 −11.1 ± 0.3
1380 EN300-332838_3_2 molecule CN1[C@H](COC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1381 EN300-2977549_3_1 molecule CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.3
1382 EN300-2977549_3_1 molecule CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.3
1383 EN300-2977549_3_1 molecule CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.3
1384 EN300-25986_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5cccn5 −11.1 ± 0.2
1385 EN300-122656_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCSC5)O −11.1 ± 0.4
1386 EN300-6736413_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCNC5=O −11.1 ± 0.3
1387 EN300-6736413_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCNC5=O −11.1 ± 0.3
1388 EN300-6496666_1_1 molecule CO[C@@H]1CN([C@@H]2[C@H]1COC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.1 ± 0.3
1389 EN300-7183657_1_1 molecule C[C@]1(C[C@@H](C1)C(=O)N[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5)O −11.1 ± 0.2
1390 EN300-80083_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCCCC(=O)N5 −11.1 ± 0.4
1391 EN300-872798_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(nnn5)C6CC6 −11.1 ± 0.3
1392 EN300-305984_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cccn6c5nnn6 −11.1 ± 0.3
1393 EN300-863933_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C(=O)C −11.1 ± 0.3
1394 EN300-216063_3_1 molecule CN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.2
1395 EN300-216063_3_1 molecule CN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.2
1396 EN300-216063_3_1 molecule CN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.1 ± 0.2
1397 EN300-260696_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]([C@@H]5n6cccn6)O −11.1 ± 0.3
1398 EN300-248888_2_2 molecule C[C@](C=C)(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.1 ± 0.4
1399 EN300-157776_1_1 molecule C[C@@H]1CN(C[C@@H](O1)CO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.1 ± 0.3
1400 EN300-7426383_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6c(ccn5)[nH]nn6 −11.1 ± 0.2
Last updated 2021-02-11T07:27:27.453800+00:00
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