Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

FULL DB

Total number of items: 1540439
Total number of pages: 1541 ( 1000 items on each page )

Direct access:
1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375, 376, 377, 378, 379, 380, 381, 382, 383, 384, 385, 386, 387, 388, 389, 390, 391, 392, 393, 394, 395, 396, 397, 398, 399, 400, 401, 402, 403, 404, 405, 406, 407, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422, 423, 424, 425, 426, 427, 428, 429, 430, 431, 432, 433, 434, 435, 436, 437, 438, 439, 440, 441, 442, 443, 444, 445, 446, 447, 448, 449, 450, 451, 452, 453, 454, 455, 456, 457, 458, 459, 460, 461, 462, 463, 464, 465, 466, 467, 468, 469, 470, 471, 472, 473, 474, 475, 476, 477, 478, 479, 480, 481, 482, 483, 484, 485, 486, 487, 488, 489, 490, 491, 492, 493, 494, 495, 496, 497, 498, 499, 500, 501, 502, 503, 504, 505, 506, 507, 508, 509, 510, 511, 512, 513, 514, 515, 516, 517, 518, 519, 520, 521, 522, 523, 524, 525, 526, 527, 528, 529, 530, 531, 532, 533, 534, 535, 536, 537, 538, 539, 540, 541, 542, 543, 544, 545, 546, 547, 548, 549, 550, 551, 552, 553, 554, 555, 556, 557, 558, 559, 560, 561, 562, 563, 564, 565, 566, 567, 568, 569, 570, 571, 572, 573, 574, 575, 576, 577, 578, 579, 580, 581, 582, 583, 584, 585, 586, 587, 588, 589, 590, 591, 592, 593, 594, 595, 596, 597, 598, 599, 600, 601, 602, 603, 604, 605, 606, 607, 608, 609, 610, 611, 612, 613, 614, 615, 616, 617, 618, 619, 620, 621, 622, 623, 624, 625, 626, 627, 628, 629, 630, 631, 632, 633, 634, 635, 636, 637, 638, 639, 640, 641, 642, 643, 644, 645, 646, 647, 648, 649, 650, 651, 652, 653, 654, 655, 656, 657, 658, 659, 660, 661, 662, 663, 664, 665, 666, 667, 668, 669, 670, 671, 672, 673, 674, 675, 676, 677, 678, 679, 680, 681, 682, 683, 684, 685, 686, 687, 688, 689, 690, 691, 692, 693, 694, 695, 696, 697, 698, 699, 700, 701, 702, 703, 704, 705, 706, 707, 708, 709, 710, 711, 712, 713, 714, 715, 716, 717, 718, 719, 720, 721, 722, 723, 724, 725, 726, 727, 728, 729, 730, 731, 732, 733, 734, 735, 736, 737, 738, 739, 740, 741, 742, 743, 744, 745, 746, 747, 748, 749, 750, 751, 752, 753, 754, 755, 756, 757, 758, 759, 760, 761, 762, 763, 764, 765, 766, 767, 768, 769, 770, 771, 772, 773, 774, 775, 776, 777, 778, 779, 780, 781, 782, 783, 784, 785, 786, 787, 788, 789, 790, 791, 792, 793, 794, 795, 796, 797, 798, 799, 800, 801, 802, 803, 804, 805, 806, 807, 808, 809, 810, 811, 812, 813, 814, 815, 816, 817, 818, 819, 820, 821, 822, 823, 824, 825, 826, 827, 828, 829, 830, 831, 832, 833, 834, 835, 836, 837, 838, 839, 840, 841, 842, 843, 844, 845, 846, 847, 848, 849, 850, 851, 852, 853, 854, 855, 856, 857, 858, 859, 860, 861, 862, 863, 864, 865, 866, 867, 868, 869, 870, 871, 872, 873, 874, 875, 876, 877, 878, 879, 880, 881, 882, 883, 884, 885, 886, 887, 888, 889, 890, 891, 892, 893, 894, 895, 896, 897, 898, 899, 900, 901, 902, 903, 904, 905, 906, 907, 908, 909, 910, 911, 912, 913, 914, 915, 916, 917, 918, 919, 920, 921, 922, 923, 924, 925, 926, 927, 928, 929, 930, 931, 932, 933, 934, 935, 936, 937, 938, 939, 940, 941, 942, 943, 944, 945, 946, 947, 948, 949, 950, 951, 952, 953, 954, 955, 956, 957, 958, 959, 960, 961, 962, 963, 964, 965, 966, 967, 968, 969, 970, 971, 972, 973, 974, 975, 976, 977, 978, 979, 980, 981, 982, 983, 984, 985, 986, 987, 988, 989, 990, 991, 992, 993, 994, 995, 996, 997, 998, 999, 1000, 1001, 1002, 1003, 1004, 1005, 1006, 1007, 1008, 1009, 1010, 1011, 1012, 1013, 1014, 1015, 1016, 1017, 1018, 1019, 1020, 1021, 1022, 1023, 1024, 1025, 1026, 1027, 1028, 1029, 1030, 1031, 1032, 1033, 1034, 1035, 1036, 1037, 1038, 1039, 1040, 1041, 1042, 1043, 1044, 1045, 1046, 1047, 1048, 1049, 1050, 1051, 1052, 1053, 1054, 1055, 1056, 1057, 1058, 1059, 1060, 1061, 1062, 1063, 1064, 1065, 1066, 1067, 1068, 1069, 1070, 1071, 1072, 1073, 1074, 1075, 1076, 1077, 1078, 1079, 1080, 1081, 1082, 1083, 1084, 1085, 1086, 1087, 1088, 1089, 1090, 1091, 1092, 1093, 1094, 1095, 1096, 1097, 1098, 1099, 1100, 1101, 1102, 1103, 1104, 1105, 1106, 1107, 1108, 1109, 1110, 1111, 1112, 1113, 1114, 1115, 1116, 1117, 1118, 1119, 1120, 1121, 1122, 1123, 1124, 1125, 1126, 1127, 1128, 1129, 1130, 1131, 1132, 1133, 1134, 1135, 1136, 1137, 1138, 1139, 1140, 1141, 1142, 1143, 1144, 1145, 1146, 1147, 1148, 1149, 1150, 1151, 1152, 1153, 1154, 1155, 1156, 1157, 1158, 1159, 1160, 1161, 1162, 1163, 1164, 1165, 1166, 1167, 1168, 1169, 1170, 1171, 1172, 1173, 1174, 1175, 1176, 1177, 1178, 1179, 1180, 1181, 1182, 1183, 1184, 1185, 1186, 1187, 1188, 1189, 1190, 1191, 1192, 1193, 1194, 1195, 1196, 1197, 1198, 1199, 1200, 1201, 1202, 1203, 1204, 1205, 1206, 1207, 1208, 1209, 1210, 1211, 1212, 1213, 1214, 1215, 1216, 1217, 1218, 1219, 1220, 1221, 1222, 1223, 1224, 1225, 1226, 1227, 1228, 1229, 1230, 1231, 1232, 1233, 1234, 1235, 1236, 1237, 1238, 1239, 1240, 1241, 1242, 1243, 1244, 1245, 1246, 1247, 1248, 1249, 1250, 1251, 1252, 1253, 1254, 1255, 1256, 1257, 1258, 1259, 1260, 1261, 1262, 1263, 1264, 1265, 1266, 1267, 1268, 1269, 1270, 1271, 1272, 1273, 1274, 1275, 1276, 1277, 1278, 1279, 1280, 1281, 1282, 1283, 1284, 1285, 1286, 1287, 1288, 1289, 1290, 1291, 1292, 1293, 1294, 1295, 1296, 1297, 1298, 1299, 1300, 1301, 1302, 1303, 1304, 1305, 1306, 1307, 1308, 1309, 1310, 1311, 1312, 1313, 1314, 1315, 1316, 1317, 1318, 1319, 1320, 1321, 1322, 1323, 1324, 1325, 1326, 1327, 1328, 1329, 1330, 1331, 1332, 1333, 1334, 1335, 1336, 1337, 1338, 1339, 1340, 1341, 1342, 1343, 1344, 1345, 1346, 1347, 1348, 1349, 1350, 1351, 1352, 1353, 1354, 1355, 1356, 1357, 1358, 1359, 1360, 1361, 1362, 1363, 1364, 1365, 1366, 1367, 1368, 1369, 1370, 1371, 1372, 1373, 1374, 1375, 1376, 1377, 1378, 1379, 1380, 1381, 1382, 1383, 1384, 1385, 1386, 1387, 1388, 1389, 1390, 1391, 1392, 1393, 1394, 1395, 1396, 1397, 1398, 1399, 1400, 1401, 1402, 1403, 1404, 1405, 1406, 1407, 1408, 1409, 1410, 1411, 1412, 1413, 1414, 1415, 1416, 1417, 1418, 1419, 1420, 1421, 1422, 1423, 1424, 1425, 1426, 1427, 1428, 1429, 1430, 1431, 1432, 1433, 1434, 1435, 1436, 1437, 1438, 1439, 1440, 1441, 1442, 1443, 1444, 1445, 1446, 1447, 1448, 1449, 1450, 1451, 1452, 1453, 1454, 1455, 1456, 1457, 1458, 1459, 1460, 1461, 1462, 1463, 1464, 1465, 1466, 1467, 1468, 1469, 1470, 1471, 1472, 1473, 1474, 1475, 1476, 1477, 1478, 1479, 1480, 1481, 1482, 1483, 1484, 1485, 1486, 1487, 1488, 1489, 1490, 1491, 1492, 1493, 1494, 1495, 1496, 1497, 1498, 1499, 1500, 1501, 1502, 1503, 1504, 1505, 1506, 1507, 1508, 1509, 1510, 1511, 1512, 1513, 1514, 1515, 1516, 1517, 1518, 1519, 1520, 1521, 1522, 1523, 1524, 1525, 1526, 1527, 1528, 1529, 1530, 1531, 1532, 1533, 1534, 1535, 1536, 1537, 1538, 1539, 1540, 1541,

Prev 180 181 182 183 184 185 186 187 188 189 Next

STK587677
Synonyms: 2- {[4- (4- ethoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2OC)nnc1c1cccc(c1)C

STK587678
Synonyms: N- (3- bromophenyl)- 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)Br)nnc1COc1ccccc1

STK587681
Synonyms: N'- [(E)- (4- fluorophenyl)methylidene]- 5- [4- (2- phenylethoxy)phenyl]- 1H- pyrazole- 3- carbohydrazide
Smiles: Fc1ccc(cc1)/C=N/NC(=O)c1n[nH]c(c1)c1ccc(cc1)OCCc1ccccc1

STK587682
Synonyms: N- cyclopentyl- Nalpha- {[1- (4- methoxyphenyl)- 5- oxopyrrolidin- 3- yl]carbonyl}- L- phenylalaninamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NC1CCCC1)Cc1ccccc1

STK587683
Synonyms: 2- ethyl- 8- methoxy- 3- (3- methoxypropyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COCCCn1c(CC)nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC

STK587685
Synonyms: 2- cyclohexyl- 3- (4- methoxybenzyl)- 10- methylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)C1CCCCC1

STK587686
Synonyms: 2- (5,7- dihydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- (pyridin- 4- ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)O)NCc1ccncc1

STK587687
Synonyms: (3a'S,6a'R)- 5- fluoro- 5'- (4- fluorobenzyl)- 3'- (propan- 2- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Fc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(C)C)C(=O)Nc2c1cc(F)cc2

STK587688
Synonyms: 1- ethyl- 4- [(2- hydroxyethyl)amino]- 3- nitroquinolin- 2(1H)- one
Smiles: OCCNc1c([N+](=O)[O-])c(=O)n(c2c1cccc2)CC

STK587690
Synonyms: 3- [(4- chlorophenoxy)methyl]- 5- [(2,6- dichlorobenzyl)sulfanyl]- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazole
Smiles: CCOc1ccc(cc1)n1c(nnc1SCc1c(Cl)cccc1Cl)COc1ccc(cc1)Cl

STK587691
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2,6- dichlorophenyl)methylidene]- 5- {[methyl(phenyl)amino]methyl}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CN(c1ccccc1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(Cl)cccc1Cl

STK587693
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)pyridine- 4- carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1ccncc1)Cc1cccnc1

STK587694
Synonyms: 8- [4- (2- fluorobenzyl)piperazin- 1- yl]- 6- hydroxy- 3- methyl- 7- (3- methylbutyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccccc1F)C

STK587695
Synonyms: 7- (2- methoxyethyl)- 1,3- dimethyl- 8- [(2- methylpiperidin- 1- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COCCn1c(CN2CCCCC2C)nc2c1c(=O)n(c(=O)n2C)C

STK587696
Synonyms: 9- (3- chlorophenyl)- 2,2,5- trimethyl- 10- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: Clc1cccc(c1)n1c(nc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)C)N1CCOCC1

STK587697
Synonyms: 2- (9- methyl- 5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)acetamide
Smiles: NC(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCSc1n2)C

STK587701
Synonyms: N- (2- ethoxyphenyl)- 2- ({4- (furan- 2- ylmethyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCOc1ccccc1NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK587702
Synonyms: N- [3- (morpholin- 4- yl)propyl]- 5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]furo[2,3- c]isoquinolin- 8- amine
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCCCN1CCOCC1

STK587703
Synonyms: N- (4- ethoxyphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)Cc1cccs1

STK587704
Synonyms: N- (3- chloro- 4- fluorophenyl)- 2- {[5- (3- methoxyphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)F)nnc1c1cccc(c1)OC

STK587705
Synonyms: 4- ({(E)- [4- (benzyloxy)- 3- methoxyphenyl]methylidene}amino)- 5- (4- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)OC)OCc1ccccc1

STK587706
Synonyms: 2'- hydroxy- 3- methyl- 8- nitro- 1'- phenyl- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrido[1,2- a]quinoline- 5,5'- pyrimidine]- 4',6'(1'H)- dione
Smiles: CC1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N=C(N(C1=O)c1ccccc1)O

STK587707
Synonyms: N- {4- [(2Z)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 7(8H)- ylidene)acetyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK587708
Synonyms: 3- (3- chlorophenyl)- 2- (4- chlorophenyl)- 10- methylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: Clc1cccc(c1)n1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccc(cc1)Cl

STK587709
Synonyms: 2- (7- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)- N- [4- (pyrrolidin- 1- ylsulfonyl)phenyl]acetamide
Smiles: O=C(CN1CCc2c(C1C)cc1c(c2)OCCCO1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1

STK587710
Synonyms: (4E)- 4- [hydroxy(phenyl)methylidene]- 1- (4- methylphenyl)- 5- (4- nitrophenyl)pyrrolidine- 2,3- dione
Smiles: Cc1ccc(cc1)N1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)[N+](=O)[O-]

STK587713
Synonyms: N- [(2Z)- 5,5- dioxido- 3- [4- (trifluoromethoxy)phenyl]tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- ethylbutanamide
Smiles: CCC(C(=O)/N=C/1\SC2C(N1c1ccc(cc1)OC(F)(F)F)CS(=O)(=O)C2)CC

STK587715
Synonyms: 6- amino- 3- (4- fluorophenyl)- 4- (2- methoxyphenyl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1OC)c([nH]n2)c1ccc(cc1)F

STK587716
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(4- chlorophenyl)carbonyl]- 3'- [(3- methoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1cccc(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1)cccc3

STK587721
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 8- (piperidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1)COc1cccc(c1)C

STK587722
Synonyms: 3- [(3a'S,6a'R)- 5'- (2- chlorobenzyl)- 5- fluoro- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanoicacid
Smiles: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cc(F)cc1

STK587723
Synonyms: 2- [(4- ethyl- 8- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- [3- (1H- imidazol- 1- yl)propyl]propanamide
Smiles: CCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)NCCCn1cncc1)C

STK587724
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- butylphenyl)acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK587725
Synonyms: 2,2- dimethyl- 5- (2- methylpropyl)- N- (pyridin- 3- ylmethyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: CC(Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCc1cccnc1)C

STK587727
Synonyms: 12- (4- ethylphenyl)- 2,3,4,12- tetrahydrobenzimidazo[2,1- b]quinazolin- 1- ol
Smiles: CCc1ccc(cc1)C1C2=C(O)CCCC2=Nc2n1c1ccccc1n2

STK587730
Synonyms: (5E)- 5- (1- {[4- (dimethylamino)phenyl]amino}ethylidene)- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C(\Nc2ccc(cc2)N(C)C)/C)/C(=O)N1c1ccccc1C

STK587731
Synonyms: 8- (4- methoxyphenyl)- 1- methyl- 3- (2- phenylethyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCc1ccccc1

STK587732
Synonyms: 2,4- dichloro- N- (2,3- dihydro- 1,4- benzodioxin- 2- ylmethyl)benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NCC1COc2c(O1)cccc2

STK587734
Synonyms: 2- (1,3- benzoxazol- 2- ylamino)- 7,7- dimethyl- 4- (3- nitrophenyl)- 4,6,7,8- tetrahydroquinazolin- 5- ol
Smiles: OC1=C2C(=NC(=NC2c2cccc(c2)[N+](=O)[O-])Nc2nc3c(o2)cccc3)CC(C1)(C)C

STK587735
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3- methoxyphenyl)methylidene]- 5- (4- propoxyphenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)OC

STK587736
Synonyms: 3- [(3,4- dichlorobenzyl)oxy]- 1- hydroxy- 5- methyl- 9H- xanthen- 9- one
Smiles: Clc1ccc(cc1Cl)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK587737
Synonyms: (5Z)- 1- (4- chlorophenyl)- 5- {[2,5- dimethyl- 1- (quinolin- 6- yl)- 1H- pyrrol- 3- yl]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc3c(c2)cccn3)C)/C1=O)S

STK587739
Synonyms: 4- chloro- N- [4- (4- chlorophenyl)- 6- methyl- 5- oxo- 2- phenyl- 2,5- dihydropyridazin- 3- yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1c(c2ccc(cc2)Cl)c(=O)c(nn1c1ccccc1)C

STK587740
Synonyms: (5E)- 1- (4- chlorophenyl)- 5- ({[3- (1H- imidazol- 1- yl)propyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCCn2ccnc2)/C1=O)S

STK587741
Synonyms: 5- (2- hydroxy- 4- methylphenyl)- N- [(2E)- 6- methoxy- 1,3- benzothiazol- 2(3H)- ylidene]- 1H- pyrazole- 3- carboxamide
Smiles: COc1ccc2c(c1)s/c(=N/C(=O)c1n[nH]c(c1)c1ccc(cc1O)C)/[nH]2

STK587742
Synonyms: 1- amino- 4- [(3- methoxyphenyl)amino]- 2- (pyrrolidin- 1- yl)anthracene- 9,10- dione
Smiles: COc1cccc(c1)Nc1cc(N2CCCC2)c(c2c1C(=O)c1ccccc1C2=O)N

STK587743
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- (2,4- dimethoxyphenyl)- 6- [2- (3,4- dimethoxyphenyl)ethyl]- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)CCc1ccc(c(c1)OC)OC

STK587744
Synonyms: 3- (1- phenylethyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- imine5,5- dioxide
Smiles: CC(N1C(=N)SC2C1CS(=O)(=O)C2)c1ccccc1

STK587745
Synonyms: 2- [7- (4- chlorophenyl)- 5- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 3a,4,7,7a- tetrahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: Clc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)N1C(=O)C2C(C1=O)CC=CC2)c1ccccc1

STK587747
Synonyms: 6- (2,4- dimethoxyphenyl)- 9- (naphthalen- 1- yl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(c(c1)OC)C1CC(=C2C(=Nc3n(C2c2cccc4c2cccc4)ncn3)C1)O

STK587749
Synonyms: 1- [(4- methylphenyl)sulfonyl]- N- {(2S)- 4- (methylsulfanyl)- 1- oxo- 1- [(tetrahydrofuran- 2- ylmethyl)amino]butan- 2- yl}piperidine- 4- carboxamide
Smiles: CSCC[C@@H](C(=O)NCC1CCCO1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK587750
Synonyms: 3- [2- (3,4- dimethoxyphenyl)ethyl]- 10- methyl- 2- propylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCCc1nc2c(c(=O)n1CCc1ccc(c(c1)OC)OC)c(=O)c1c(n2C)cccc1

STK587751
Synonyms: (1'R,2'R)- 7'- chloro- 2'- (3- chlorophenyl)- 1'- (2,2- dimethylpropanoyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: Clc1ccc2c(c1)C=CC1N2[C@@H](C(=O)C(C)(C)C)[C@@H]([C@@]21C(=O)c1c(C2=O)cccc1)c1cccc(c1)Cl

STK587752
Synonyms: N- [4- (diethylamino)phenyl]- 2- (3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl)acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CC1NC(=O)c2c1cccc2)CC

STK587753
Synonyms: 4- {[(E)- (4- chlorophenyl)methylidene]amino}- 5- (2- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)Cl

STK587755
Synonyms: (3a'S,6a'R)- 5'- (butan- 2- yl)- 7- chloro- 3'- [2- (methylsulfanyl)ethyl]- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(CC)C)C(=O)Nc1c2cccc1Cl

STK587756
Synonyms: (5E)- 6- hydroxy- 3- (4- methoxybenzyl)- 5- [(2- phenyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)CN1C(=O)N=C(/C(=C\c2c([nH]c3c2cccc3)c2ccccc2)/C1=O)O

STK587758
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- amine
Smiles: COc1cc(CCNc2ncnc3c2oc2c3c3CCCc3c(n2)CC(C)C)ccc1OC

STK587760
Synonyms: (3R)- N- (morpholin- 4- yl)- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: O=C([C@@H]1CSC2N1C(=O)c1c2cccc1)NN1CCOCC1

STK587762
Synonyms: 4- ({(Z)- [2- (6- methylpyridin- 2- yl)- 1,3- dioxo- 2,3- dihydroisoquinolin- 4(1H)- ylidene]methyl}amino)benzenesulfonamide
Smiles: Cc1cccc(n1)N1C(=O)/C(=C\Nc2ccc(cc2)S(=O)(=O)N)/c2c(C1=O)cccc2

STK587763
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- (4- methoxyphenyl)- 6- methyl- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: COc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C

STK587766
Synonyms: 6- hydroxy- 3- methyl- 8- (3- methylpiperidin- 1- yl)- 7- {2- [(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]ethyl}- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC1CCCN(C1)c1nc2c(n1CCSc1nnnn1c1ccccc1)c(O)nc(=O)n2C

STK587767
Synonyms: 6- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 2- [(4,7- dimethylquinazolin- 2- yl)amino]pyrimidin- 4- ol
Smiles: Oc1cc(CSc2nc3c(s2)cccc3)nc(n1)Nc1nc(C)c2c(n1)cc(cc2)C

STK587769
Synonyms: 8- (3,5- dimethylphenyl)- 1- methyl- 3- (3- methylbutyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CC(CCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cc(C)cc(c1)C)C

STK587770
Synonyms: N- cyclohexyl- 4- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]benzamide
Smiles: O=C(c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)NC1CCCCC1

STK587771
Synonyms: (3a'S,6a'R)- 5'- tert- butyl- 7- chloro- 3'- (1- hydroxyethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1Cl)O

STK587773
Synonyms: 8- [(4- benzylpiperidin- 1- yl)methyl]- 7- (4- fluorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)Cn1c(CN2CCC(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK587774
Synonyms: 2- ({5- [(1S)- 1- amino- 2- (1H- indol- 3- yl)ethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2,3- dimethylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK587775
Synonyms: 8- (4- ethylphenyl)- 1,7- dimethyl- 3- [2- (piperidin- 1- yl)ethyl]- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: CCc1ccc(cc1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCCCC1

STK587776
Synonyms: 4- [(2E)- 2- (quinoxalin- 6- ylmethylidene)hydrazinyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/c1ccc2c(c1)nccn2

STK587778
Synonyms: 7- bromo- 1- (3- ethoxyphenyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK587779
Synonyms: 3- chloro- N- [(1S)- 3- (methylsulfanyl)- 1- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)propyl]benzamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)c1cccc(c1)Cl

STK587781
Synonyms: (5E)- 5- [1- (hexylamino)propylidene]- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCCCN/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/CC

STK587782
Synonyms: 5- (4- chlorophenyl)- 10- (3,4- dihydroxyphenyl)- 1,3,7,7- tetramethyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Clc1ccc(cc1)c1c2c(c3n1C(C)(C)COC3c1ccc(c(c1)O)O)n(C)c(=O)n(c2=O)C

STK587784
Synonyms: N- (3- hydroxypropyl)- 2- [(3- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 1- yl)oxy]propanamide
Smiles: OCCCNC(=O)C(Oc1cc(C)cc2c1c1CCCCc1c(=O)o2)C

STK587786
Synonyms: 9- (4- butylphenyl)- 3- ethyl- 1- methyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: CCCCc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)CC

STK587787
Synonyms: 2- {(E)- [4,6- dioxo- 1- (prop- 2- en- 1- yl)- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}hydrazinecarboxamide
Smiles: C=CCN1C(=NC(=O)/C(=C\NNC(=O)N)/C1=O)S

STK587788
Synonyms: 8- [(2,6- dimethylmorpholin- 4- ium- 4- yl)methyl]- 4- methyl- 2- oxo- 2H- chromen- 7- olate
Smiles: CC1C[NH+](CC(O1)C)Cc1c([O-])ccc2c1oc(=O)cc2C

STK587789
Synonyms: (4E)- 5- (2- chlorophenyl)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 1- (furan- 2- ylmethyl)pyrrolidine- 2,3- dione
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1Cl)Cc1ccco1)/O

STK587792
Synonyms: 5- (2- bromophenyl)- 4- {[(E)- (9- ethyl- 9H- carbazol- 3- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCn1c2ccc(cc2c2c1cccc2)/C=N/n1c(=S)[nH]nc1c1ccccc1Br

STK587795
Synonyms: 5- (4- fluorophenyl)- 4- {[(E)- (3,4,5- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2c2ccc(cc2)F)cc(c1OC)OC

STK587797
Synonyms: N- (2- chloro- 4,6- dimethylphenyl)- 2- {[4- ethyl- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2c(C)cc(cc2Cl)C)nnc1c1ccccc1OC

STK587798
Synonyms: 2- {5- [(4- tert- butylbenzyl)sulfanyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}pyrazine
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1cnccn1

STK587799
Synonyms: (5Z)- 1- (2- methoxyphenyl)- 5- [5- (4- methoxyphenyl)pyrazolidin- 3- ylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)C1NN/C(=C\2/C(=O)NC(=O)N(C2=O)c2ccccc2OC)/C1

STK587800
Synonyms: (3R)- 2,2- dimethyl- 5- oxo- N- (prop- 2- en- 1- yl)- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: C=CCNC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1

STK587801
Synonyms: 4- chloro- N- (2- methoxyethyl)- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: COCCN(S(=O)(=O)c1ccc(cc1)Cl)Cc1cc2cc(C)ccc2[nH]c1=O

STK587802
Synonyms: N- (2- {7- methoxy- 6- [(E)- (2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinylidene)methyl]- 1,3- benzodioxol- 5- yl}ethyl)- N- methylacetamide
Smiles: COc1c(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(CCN(C(=O)C)C)cc2c1OCO2

STK587803
Synonyms: 2- (5,9- dimethyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)phenol
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)c1ccccc1O

STK587806
Synonyms: 3- (3- chlorophenyl)- 2- [(2- hydroxyethyl)amino]- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: OCCNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCCCC3

STK587809
Synonyms: (5Z)- 4- hydroxy- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazol- 2(5H)- one
Smiles: COc1cc(/C=C/2\SC(=O)N=C2O)cc(c1OC)OC

STK587810
Synonyms: 2- [(3a'S,6a'R)- 5'- tert- butyl- 5- fluoro- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cc(F)cc1

STK587813
Synonyms: 3,4,5- triethoxy- N- [(2Z)- 5- (3- methylphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)/N=c\1/[nH]nc(s1)c1cccc(c1)C

STK587814
Synonyms: 8,8- dimethyl- 5- (phenylamino)- 3- [(2- phenylethyl)sulfanyl]- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridine- 6- carbonitrile
Smiles: N#Cc1c2CC(C)(C)OCc2c2n(c1Nc1ccccc1)c(SCCc1ccccc1)nn2

STK587816
Synonyms: (5E)- 5- {[1- (2- fluorobenzyl)- 1H- indol- 3- yl]methylidene}- 3- (furan- 2- ylmethyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/c1cn(c2c1cccc2)Cc1ccccc1F)Cc1ccco1

STK587818
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1cccc(c1)OC

STK587819
Synonyms: 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- [4- (propan- 2- yl)phenyl]hexanamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK587821
Synonyms: 1- (4- fluorophenyl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nnc1c1ccccn1

STK587823
Synonyms: 9- [2- (3,4- dimethoxyphenyl)ethyl]- 1- methyl- 3- (prop- 2- en- 1- yl)- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: C=CCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)CCc1ccc(c(c1)OC)OC

STK587826
Synonyms: 10- methyl- 3- (3- methylbutyl)- 2- (thiophen- 2- yl)pyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CC(CCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1cccs1)C

STK587827
Synonyms: (5Z)- 3- (4- chlorophenyl)- 6- hydroxy- 5- [5- (4- hydroxy- 3- methoxyphenyl)pyrazolidin- 3- ylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1cc(ccc1O)C1NN/C(=C\2/C(=NC(=O)N(C2=O)c2ccc(cc2)Cl)O)/C1

STK587828
Synonyms: 8- (3- chlorophenyl)- 1- methyl- 3- (3- methylbenzyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Cc1cccc(c1)Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)Cl

STK587829
Synonyms: 3- [(3- fluorobenzyl)oxy]- 1- hydroxy- 5- methyl- 9H- xanthen- 9- one
Smiles: Fc1cccc(c1)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK587831
Synonyms: 3- (3- chlorophenyl)- 5- [(4- methoxybenzyl)sulfanyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK587834
Synonyms: 10- methyl- 3- (4- methylphenyl)- 2- (propan- 2- yl)pyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: Cc1ccc(cc1)n1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)C(C)C

STK587835
Synonyms: 1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- ylN- [(benzyloxy)carbonyl]- D- valinate
Smiles: O=C(N[C@@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)C(C)C)OCc1ccccc1

STK587836
Synonyms: 4- {(2E)- 2- [(1- benzyl- 3,5- dimethyl- 1H- pyrazol- 4- yl)methylidene]hydrazinyl}- 5- phenylthieno[2,3- d]pyrimidine
Smiles: Cc1nn(c(c1/C=N/Nc1ncnc2c1c(cs2)c1ccccc1)C)Cc1ccccc1

STK587839
Synonyms: 2- chloro- 3- ethenyl- 7- methoxyquinoline
Smiles: COc1ccc2c(c1)nc(c(c2)C=C)Cl

STK587840
Synonyms: (3a'S,6a'R)- 5'- (3- chloro- 4- fluorophenyl)- 5- fluoro- 3'- (1H- indol- 3- ylmethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)F)Cc1c[nH]c3c1cccc3)C(=O)N2

STK587841
Synonyms: 9- methoxy- 6- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 5(6H)- one
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2CC(=O)N1CCCC1

STK587842
Synonyms: N- (5- chloro- 2- methoxyphenyl)- 2- {[3- cyano- 4- (furan- 2- yl)- 5- hydroxy- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2OC)N=C2C(=C(O)CCC2)C1c1ccco1

STK587843
Synonyms: 7- (5- chloro- 2- methoxyphenyl)- 3- (4- chlorophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: COc1ccc(cc1N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1)Cl)Cl

STK587845
Synonyms: (4E)- 5- (4- bromophenyl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: Brc1ccc(cc1)C1N(c2nnc(s2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK587846
Synonyms: N- [(2Z)- 3- (3,4- dimethoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1Cc1ccc(c(c1)OC)OC)CS(=O)(=O)C2

STK587848
Synonyms: (1Z)- 5- (2,4- dichlorophenoxy)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)pentan- 2- one
Smiles: COc1cc2/C(=C/C(=O)CCCOc3ccc(cc3Cl)Cl)/NCCc2cc1OC

STK587849
Synonyms: (5Z)- 5- {1- [(furan- 2- ylmethyl)amino]ethylidene}- 6- hydroxy- 3- (4- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C(/NCc2ccco2)\C)/C1=O)O

STK587850
Synonyms: (5Z)- 6- hydroxy- 3- phenyl- 5- (1- {[2- (piperazin- 1- yl)ethyl]amino}propylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O)/NCCN1CCNCC1

STK587851
Synonyms: 9- methyl- 3- {(Z)- [4- oxo- 3- (3- phenylpropyl)- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 2- (pyrrolidin- 1- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCCC2)/C(=O)N1CCCc1ccccc1

STK587853
Synonyms: N'- (8- benzyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- yl)- N,N- dimethylethane- 1,2- diamine
Smiles: CN(CCNc1nc2nnnn2c2c1c1CCN(Cc1s2)Cc1ccccc1)C

STK587854
Synonyms: 8- amino- 1',3'- dimethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrido[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: Nc1ccc2c(c1)CC1(C3N2CCCC3)C(=O)N(C)C(=O)N(C1=O)C

STK587856
Synonyms: methyl4- ({[(6- chloro- 4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)COc1cc2oc(=O)cc(c2cc1Cl)C

STK587858
Synonyms: (2E,5Z)- 2- [(4- fluorophenyl)imino]- 5- [(1- methyl- 1H- pyrrol- 2- yl)methylidene]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: Fc1ccc(cc1)/N=C\1/S/C(=C\c2cccn2C)/C(=N1)O

STK587859
Synonyms: 8- (4- ethoxyphenyl)- 1- methyl- 3- (2- methylbenzyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CCOc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1C

STK587860
Synonyms: 9- (3,5- dimethylphenyl)- 1- methyl- 3- propyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: CCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1cc(C)cc(c1)C

STK587861
Synonyms: 8- (3,4- dimethylphenyl)- 1- methyl- 3- (3- methylbutyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CC(CCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(c(c1)C)C)C

STK587862
Synonyms: 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- fluorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)F)nnc1COc1ccc(cc1)C

STK587863
Synonyms: 3- (2,4- dichlorobenzyl)- 8- (2- methoxyethyl)- 1,7- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1Cl)Cl

STK587864
Synonyms: ethyl[2- (4- chlorophenyl)- 7- hydroxy- 5- methylpyrazolo[1,5- a]pyrimidin- 6- yl]acetate
Smiles: CCOC(=O)Cc1c(C)nc2n(c1O)nc(c2)c1ccc(cc1)Cl

STK587865
Synonyms: 2- ({5- [(1S)- 1- aminoethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- 1- (4- chlorophenyl)ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc(o1)[C@@H](N)C

STK587866
Synonyms: 1- (3- bromophenyl)- 4- (4- hydroxy- 3- methoxyphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1cc(ccc1O)C1CC(=O)N(C2=C1C(=O)OC2)c1cccc(c1)Br

STK587868
Synonyms: 2- [3- (4- chlorophenyl)- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl]- N- (propan- 2- yl)acetamide
Smiles: CC(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)Cl)C

STK587870
Synonyms: 3'- (3- chlorophenyl)- 6'- hydroxy- 2,4- dimethyl- 8- nitro- 1,2,4,4a- tetrahydro- 2'H,6H- spiro[1,4- oxazino[4,3- a]quinoline- 5,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: CC1OC(C)C2N(C1)c1ccc(cc1CC12C(=NC(=O)N(C1=O)c1cccc(c1)Cl)O)[N+](=O)[O-]

STK587871
Synonyms: 8- bromo- N- (propan- 2- yl)[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CC(Nc1ncnc2c1oc1c2cc(cc1)Br)C

STK587872
Synonyms: 4- methyl- N- (3- methylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: Cc1cccc(c1)N(S(=O)(=O)c1ccc(cc1)C)Cc1cc2ccccc2[nH]c1=O

STK587873
Synonyms: 5- {4- [(4- methylbenzyl)oxy]phenyl}- N'- [(E)- phenylmethylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: Cc1ccc(cc1)COc1ccc(cc1)c1[nH]nc(c1)C(=O)N/N=C/c1ccccc1

STK587874
Synonyms: N- [7- (4- fluorophenyl)- 5- phenyl- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]propanamide
Smiles: CCC(=O)Nc1nn2c(n1)NC(CC2c1ccc(cc1)F)c1ccccc1

STK587875
Synonyms: 4- hydroxy- 1- methyl- 8- [2- (morpholin- 4- yl)ethyl]- 7- phenyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Oc1nc(=O)n(c2c1n1cc(n(c1n2)CCN1CCOCC1)c1ccccc1)C

STK587877
Synonyms: N- (7- methyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 1- yl)propanamide
Smiles: CCC(=O)NN1CCc2c1nc1cc(C)ccc1c2

STK587878
Synonyms: 2- [(3aR,4R,4aR,7aS,8R,8aR)- 3- (4- chlorophenyl)- 5,7- dioxo- 3a,4,4a,5,7,7a,8,8a- octahydro- 6H- 4,8- methano[1,2]oxazolo[4,5- f]isoindol- 6- yl]- 4- methylpentanoicacid
Smiles: CC(CC(N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1)Cl)C(=O)O)C

STK587879
Synonyms: 3,4,5- trimethoxy- N- (2- methoxyethyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COCCN(C(=O)c1cc(OC)c(c(c1)OC)OC)Cc1cc2ccccc2[nH]c1=O

STK587882
Synonyms: 1- (3,4- dichlorophenyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(c(c1)Cl)Cl)c(=O)c1c(o2)cccc1

STK587883
Synonyms: (4E)- 4- {[(1,1- dioxidotetrahydrothiophen- 3- yl)amino]methylidene}- 2- (3- methoxyphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1cccc(c1)N1C(=O)/C(=C/NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2

STK587884
Synonyms: 2- (4,6- dimethylpyrimidin- 2- yl)- 4- hydroxy- 6- methyl- 5- (3- methylbenzyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: Cc1cccc(c1)Cc1c(C)nc2c(c1O)c(=O)n([nH]2)c1nc(C)cc(n1)C

STK587886
Synonyms: N'- {(E)- [1- (4- fluorobenzyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}heptanehydrazide
Smiles: CCCCCCC(=O)NN/C=C/1\C(=NC(=O)N(C1=O)Cc1ccc(cc1)F)O

STK587887
Synonyms: (2,3- dimethoxy- 6H- indolo[2,3- b]quinoxalin- 6- yl)acetonitrile
Smiles: N#CCn1c2ccccc2c2c1nc1cc(OC)c(cc1n2)OC

STK587890
Synonyms: 4- {[(E)- (5- bromo- 2- methoxyphenyl)methylidene]amino}- 5- (3- chlorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl)Br

STK587891
Synonyms: 5- (3- chlorophenyl)- 4- {[(1E,2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: C/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK587894
Synonyms: 3- (1,3- benzodioxol- 5- ylmethyl)- 1',3'- dipropyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: CCCN1C(=O)N(CCC)C(=O)C2(C1=O)Cc1ccccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2

STK587895
Synonyms: 4- methoxy- N- (4- methoxyphenyl)- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)OC)Cc1cc2cccc(c2[nH]c1=O)C

STK587896
Synonyms: 3- (pyridin- 4- ylmethyl)- 3,4,8,9- tetrahydro- 2H- cyclopenta[3,4]chromeno[8,7- e][1,3]oxazin- 6(7H)- one
Smiles: O=c1oc2c3CN(COc3ccc2c2c1CCC2)Cc1ccncc1

STK587897
Synonyms: 6- [2- (4- chlorophenoxy)ethyl]- 7,10- dimethyl- 6H- indolo[2,3- b]quinoxaline
Smiles: Clc1ccc(cc1)OCCn1c2nc3ccccc3nc2c2c1c(C)ccc2C

STK587898
Synonyms: 6- hydroxy- 3- methyl- 7- {2- methyl- 3- [(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]propyl}- 8- (morpholin- 4- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCOCC1)CSc1nnnn1c1ccccc1

STK587899
Synonyms: 2- [14- (pyridin- 3- yl)- 14H- benzo[7,8]chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]aniline
Smiles: Nc1ccccc1c1nc2n(n1)cnc1c2C(c2cccnc2)c2c(O1)c1ccccc1cc2

STK587900
Synonyms: N- [4- (benzyloxy)phenyl]- 2- {[4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1ccc(cc1)OCc1ccccc1

STK587901
Synonyms: 3- [(8- propyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- yl)amino]propan- 1- ol
Smiles: CCCN1CCc2c(C1)sc1c2c(NCCCO)nc2n1nnn2

STK587903
Synonyms: (5s,7s)- 2- (5- bromo- 2- hydroxyphenyl)- 5- ethyl- 7- methyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C3c1cc(Br)ccc1O)C

STK587904
Synonyms: (5E)- 5- ({[3- (dimethylamino)propyl]amino}methylidene)- 6- hydroxy- 3- (4- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C\NCCCN(C)C)/C1=O)O

STK587905
Synonyms: (5Z)- 5- {[5- (2- chlorophenyl)furan- 2- yl]methylidene}- 2- [(E)- 2- (4- methoxyphenyl)ethenyl][1,3]thiazolo[3,2- b][1,2,4]triazol- 6(5H)- one
Smiles: COc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=C\c1ccc(o1)c1ccccc1Cl)/c2=O

STK587906
Synonyms: N- [(2,5- dimethylphenyl)carbamoyl]- L- alanine
Smiles: O=C(Nc1cc(C)ccc1C)N[C@H](C(=O)O)C

STK587907
Synonyms: (4- hydroxyphthalazin- 1- yl)aceticacid
Smiles: OC(=O)Cc1nnc(c2c1cccc2)O

STK587908
Synonyms: (3a'S,6a'R)- 3'- (1H- indol- 3- ylmethyl)- 5'- (3- methoxyphenyl)- 7- methyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cccc2C

STK587911
Synonyms: N- [(2E)- 3- [4- (dimethylamino)phenyl]- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- ethylbutanamide
Smiles: CCC(C(=O)/N=C\1/SC2C(N1c1ccc(cc1)N(C)C)CS(=O)(=O)C2)CC

STK587913
Synonyms: (5E)- 5- (3- bromo- 4,5- diethoxybenzylidene)- 6- hydroxy- 3- (prop- 2- en- 1- yl)pyrimidine- 2,4(3H,5H)- dione
Smiles: C=CCN1C(=O)N=C(/C(=C\c2cc(Br)c(c(c2)OCC)OCC)/C1=O)O

STK587914
Synonyms: 10- (3,4- dimethoxyphenyl)- 1,3- dimethyl- 5- (4- methylphenyl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: COc1ccc(cc1OC)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccc(cc1)C)C

STK587915
Synonyms: 7- (prop- 2- en- 1- ylsulfanyl)- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidine
Smiles: C=CCSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3

STK587917
Synonyms: 2- ({5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)- N- (3- chloro- 4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(s1)SCc1ccc(cc1)Cl

STK587919
Synonyms: tert- butyl(2S)- 2- [5- ({2- [(2,6- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,3,4- oxadiazol- 2- yl]pyrrolidine- 1- carboxylate
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(o1)[C@@H]1CCCN1C(=O)OC(C)(C)C

STK587921
Synonyms: 2- (4- fluorophenyl)- 5,6,10,11- tetrahydro- 9H- [1,4]dioxepino[2,3- g]pyrrolo[2,1- a]isoquinoline
Smiles: Fc1ccc(cc1)c1cn2c(c1)c1cc3OCCCOc3cc1CC2

STK587923
Synonyms: 4- ({(E)- [2- (trifluoromethyl)phenyl]methylidene}amino)- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccccc1C(F)(F)F

STK587924
Synonyms: 5- (furan- 2- yl)- 4- imino- 3- [3- (morpholin- 4- yl)propyl]- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 8- ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2ccco2)c(=N)n(cn1)CCCN1CCOCC1

STK587927
Synonyms: 2- chloro- 5- (5- {(Z)- [2- hydroxy- 1- (4- methylbenzyl)- 5- oxo- 1,5- dihydro- 4H- imidazol- 4- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: Cc1ccc(cc1)CN1C(=N/C(=C\c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C1=O)O

STK587928
Synonyms: 2- (3- bromophenyl)- 3- (furan- 2- ylmethyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: Brc1cccc(c1)c1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1

STK587932
Synonyms: N- [(2Z)- 5,5- dioxido- 3- (2,4,6- trimethylphenyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1c(C)cc(cc1C)C)CS(=O)(=O)C2

STK587934
Synonyms: 4- methyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- phenylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1)Cc1cc2ccc(cc2[nH]c1=O)C

STK587935
Synonyms: (2E)- 2- [(2E)- (4- butoxy- 3- methoxybenzylidene)hydrazinylidene]- 5- methyl- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: CCCCOc1ccc(cc1OC)/C=N/N=C/1\N=C(C(S1)C)O

STK587937
Synonyms: 4- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- (4- fluorophenyl)benzamide
Smiles: Fc1ccc(cc1)NC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK587938
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK587939
Synonyms: 5- methyl- N- [3- (morpholin- 4- yl)propyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CCCC2)NCCCN1CCOCC1

STK587940
Synonyms: (3aR,6aS)- 5- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- (3,4- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(cc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2

STK587941
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(3- methoxyphenyl)carbonyl]- 2'- {[4- (2- methylpropyl)phenyl]carbonyl}- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1cccc(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)CC(C)C)C(=O)Nc1c2cccc1)cccc3

STK587942
Synonyms: 3- benzyl- 1'- (propan- 2- yl)- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: CC(N1C(=O)NC(=O)C2(C1=O)Cc1ccccc1N1C2CN(CC1)Cc1ccccc1)C

STK587943
Synonyms: (4- {[5- chloro- 6- oxo- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 1,6- dihydropyridazin- 4- yl]amino}phenyl)aceticacid
Smiles: OC(=O)Cc1ccc(cc1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C2)CC(C1)C3

STK587944
Synonyms: N- (3- hydroxypropyl)- 1- (3- methoxypropyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: OCCCNC(=O)c1cc2c(n1CCCOC)nc1n(c2=O)cccc1

STK587948
Synonyms: 1- {(2E)- 2- [(2- chloro- 8- methylquinolin- 3- yl)methylidene]hydrazinyl}- 2- ethyl- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cc3cccc(c3nc1Cl)C)c1ccccc1n2

STK587949
Synonyms: 8- (4- ethylpiperazin- 1- yl)- 1,3- dimethyl- 7- [2- (pyrimidin- 2- ylsulfanyl)ethyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN1CCN(CC1)c1nc2c(n1CCSc1ncccn1)c(=O)n(c(=O)n2C)C

STK587950
Synonyms: (5E)- 5- (1- {[3- (diethylamino)propyl]amino}ethylidene)- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCN(CCCN/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/C)CC

STK587951
Synonyms: 2- (2- fluorophenyl)- 4- imino- 6,7- dihydro- 4H- [1,3]dioxolo[4,5- g]pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccccc1F

STK587952
Synonyms: N- [3- (dimethylamino)propyl]- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: CN(CCCNC(=O)c1cc2ccccc2oc1=O)C

STK587953
Synonyms: 6- [(E)- (1,3- dihydro- 2H- benzimidazol- 2- ylidenehydrazinylidene)methyl]quinoxaline
Smiles: N(=C\c1ccc2c(c1)nccn2)/N=c/1\[nH]c2c([nH]1)cccc2

STK587954
Synonyms: N- [3- (dimethylamino)propyl]- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: CN(CCCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CCC2)C

STK587956
Synonyms: 3- (furan- 2- ylmethyl)- 2- propyl- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: CCCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1

STK587957
Synonyms: (2Z)- 1- (4- methylphenyl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 7(8H)- ylidene)ethanone
Smiles: Cc1ccc(cc1)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK587958
Synonyms: N- (2,5- dichlorophenyl)- 2- {[4- phenyl- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1c1ccccc1)c1cnccn1

STK587959
Synonyms: (1S,2S)- N'- {(E)- [1- (4- fluorobenzyl)- 1H- indol- 3- yl]methylidene}- 2- phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1cn(c2c1cccc2)Cc1ccc(cc1)F

STK587960
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)acetamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)C)Cc1cccnc1

STK587961
Synonyms: 4- (3,4- dimethylphenyl)- N- (2- methoxyphenyl)- 1- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccccc1NC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccc(c(c1)C)C

STK587962
Synonyms: 1'- (3,5- dimethoxybenzyl)- 3- methyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: COc1cc(cc(c1)OC)CN1C(=O)NC(=O)C2(C1=O)Cc1ccccc1N1C2CN(C)CC1

STK587963
Synonyms: 4- nitro- N- [(3Z)- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzenesulfonamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])/c2c1nc1ccccc1c2

STK587964
Synonyms: 4- fluoro- N- methyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)C

STK587965
Synonyms: 1- ethyl- 4- [(2- hydroxypropyl)amino]- 3- nitroquinolin- 2(1H)- one
Smiles: CCn1c2ccccc2c(c(c1=O)[N+](=O)[O-])NCC(O)C

STK587966
Synonyms: 4- [(2E)- 2- {4- methoxy- 3- [(3- methoxyphenoxy)methyl]benzylidene}hydrazinyl]- 5- phenylthieno[2,3- d]pyrimidine
Smiles: COc1ccc(cc1COc1cccc(c1)OC)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK587967
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(2- fluorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 5- [3- (pentyloxy)phenyl]pyrrolidine- 2,3- dione
Smiles: CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1F

STK587969
Synonyms: 1- (2- fluorophenyl)- 2,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccc1F)C

STK587970
Synonyms: 5- (2- methoxyphenyl)- 4- {[(E)- (2,4,5- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(OC)c(cc1/C=N/n1c(=S)[nH]nc1c1ccccc1OC)OC

STK587971
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,6- dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1c1ccc(cc1)Cl)Cc1cccs1

STK587972
Synonyms: N- [3- (butanoylamino)- 4- chlorophenyl]- 4- methoxybenzamide
Smiles: CCCC(=O)Nc1cc(ccc1Cl)NC(=O)c1ccc(cc1)OC

STK587973
Synonyms: N- (4- bromo- 3- methylphenyl)- 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]hexanamide
Smiles: O=C(Nc1ccc(c(c1)C)Br)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK587975
Synonyms: 2- hydroxy- 3- {[(E)- (2- hydroxyphenyl)methylidene]amino}- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2nc(n(c1=O)/N=C/c1ccccc1O)O

STK587976
Synonyms: 3- (2- fluorobenzyl)- 1- methyl- 8- (2- methylphenyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Fc1ccccc1Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccccc1C

STK587978
Synonyms: N- (3- hydroxypropyl)- 5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: OCCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2

STK587979
Synonyms: (1Z)- 6,7- dimethoxy- 1- [(phenylsulfonyl)methylidene]- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN/C/2=C\S(=O)(=O)c1ccccc1

STK587981
Synonyms: N- {4- [(3a'S,6a'R)- 5- chloro- 3'- (1H- indol- 3- ylmethyl)- 7- methyl- 2,4',6'- trioxo- 1,2,2',3',3a',4',6',6a'- octahydro- 5'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 5'- yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(Cl)cc2C

STK587982
Synonyms: (5E)- 6- hydroxy- 5- [(6- hydroxy- 4- oxo- 4H- chromen- 3- yl)methylidene]- 3- phenylpyrimidine- 2,4(3H,5H)- dione
Smiles: Oc1ccc2c(c1)c(=O)c(co2)/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O

STK587983
Synonyms: 1- (10H- phenothiazin- 10- yl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)ethanone
Smiles: O=C(N1c2ccccc2Sc2c1cccc2)CN1CCc2c(C1)cc1c(c2)OCCCO1

STK587984
Synonyms: (5E)- 3- benzyl- 5- (1- {[2- (dimethylamino)ethyl]amino}propylidene)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/NCCN(C)C

STK587986
Synonyms: 2- methoxy- N- [3- (4- methylphenyl)- 4- oxo- 4H- thiochromen- 2- yl]benzamide
Smiles: COc1ccccc1C(=O)Nc1sc2ccccc2c(=O)c1c1ccc(cc1)C

STK587987
Synonyms: N- (2- chlorophenyl)- 3- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)propanamide
Smiles: O=C(Nc1ccccc1Cl)CCn1nnc2c(c1=O)cccc2

STK587988
Synonyms: methyl(2E)- 4- methyl- 2- ({[5- (2- nitrophenyl)furan- 2- yl]carbonyl}imino)- 2,3- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1s/c(=N/C(=O)c2ccc(o2)c2ccccc2[N+](=O)[O-])/[nH]c1C

STK587991
Synonyms: N- (2- cyanoethyl)- 5,6- dimethoxy- N- methyl- 1H- indole- 2- carboxamide
Smiles: N#CCCN(C(=O)c1cc2c([nH]1)cc(c(c2)OC)OC)C

STK587994
Synonyms: 7- chloro- 6- methyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (4- nitrophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)c1c(o2)cc(c(c1)Cl)C

STK587995
Synonyms: (2E,5E)- 5- (3- hydroxybenzylidene)- 2- [(4- hydroxyphenyl)imino]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: Oc1ccc(cc1)/N=C/1\N=C(/C(=C\c2cccc(c2)O)/S1)O

STK587996
Synonyms: 3- (3- bromo- 4- fluorophenyl)- 5- (3- chlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1cccc(c1)N1C(=O)C2C(C1=O)ON(C2c1ccc(c(c1)Br)F)c1ccccc1

STK587997
Synonyms: 1- benzyl4- (4- ethyl- 2- oxo- 2H- chromen- 7- yl)piperidine- 1,4- dicarboxylate
Smiles: CCc1cc(=O)oc2c1ccc(c2)OC(=O)C1CCN(CC1)C(=O)OCc1ccccc1

STK587999
Synonyms: N- {[2- ({4- (3,4- dimethoxyphenyl)- 5- methyl- 2- [(phenylcarbonyl)amino]thiophen- 3- yl}carbonyl)hydrazinyl]carbonothioyl}benzamide
Smiles: COc1ccc(cc1OC)c1c(C)sc(c1C(=O)NNC(=S)NC(=O)c1ccccc1)NC(=O)c1ccccc1

STK588000
Synonyms: N'- [(1E)- 1- (biphenyl- 4- yl)ethylidene]- 5- (naphthalen- 1- yl)- 1H- pyrazole- 3- carbohydrazide
Smiles: C/C(=N\NC(=O)c1n[nH]c(c1)c1cccc2c1cccc2)/c1ccc(cc1)c1ccccc1

STK588001
Synonyms: 7- [2- (1,3- benzothiazol- 2- ylsulfanyl)ethyl]- 1,3- dimethyl- 8- (2- methylpiperidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CCCCN1c1nc2c(n1CCSc1nc3c(s1)cccc3)c(=O)n(c(=O)n2C)C

STK588002
Synonyms: methyl4- oxo- 3- (4- sulfamoylbenzyl)- 2- sulfanyl- 3,4- dihydroquinazoline- 7- carboxylate
Smiles: COC(=O)c1ccc2c(c1)nc(n(c2=O)Cc1ccc(cc1)S(=O)(=O)N)S

STK588003
Synonyms: N- benzyl- 5- (5- chloro- 2- hydroxyphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)NCc1ccccc1)O

STK588004
Synonyms: N- (2,6- dimethylphenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1c1ccccc1)c1ccccn1

STK588006
Synonyms: 10- (furan- 2- yl)- 1,3- dimethyl- 5- (4- methylphenyl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Cc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1ccco1

STK588007
Synonyms: 14- (3- bromophenyl)- 3,3- dimethyl- 2,3,4,6,7,14- hexahydro- 1H- [1,3]dioxolo[6,7]isoquino[2,1- a]quinolin- 1- one
Smiles: Brc1cccc(c1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCOc2c1

STK588009
Synonyms: N- (3- methoxyphenyl)- 1,4- diphenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccccc1

STK588010
Synonyms: 2- [(3a'S,6a'R)- 6- chloro- 5'- (2- chlorobenzyl)- 7- methyl- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2ccc(c1C)Cl

STK588011
Synonyms: (5s,7s)- 2- (4- chlorophenyl)- 5- ethyl- 7- methyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C3c1ccc(cc1)Cl)C

STK588012
Synonyms: 4- phenyl- 9- (pyridin- 2- ylmethyl)- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: O=c1oc2c3CN(COc3ccc2c(c1)c1ccccc1)Cc1ccccn1

STK588015
Synonyms: 1- tert- butyl4- (2- oxo- 4- propyl- 2H- chromen- 7- yl)piperidine- 1,4- dicarboxylate
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

STK588016
Synonyms: (3a'R,8b'S)- 2'- butyl- 7- ethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(N3C2CCC3)C(=O)Nc2c1cccc2CC

STK588017
Synonyms: 3- (2- chlorobenzyl)- 9- (4- fluorophenyl)- 1- methyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: Fc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1Cl

STK588018
Synonyms: 9- (4- ethoxyphenyl)- 7- hydroxy- 1- methyl- 3- (2- phenylethyl)- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: CCOc1ccc(cc1)N1CC(O)Cn2c1nc1c2c(=O)n(c(=O)n1C)CCc1ccccc1

STK588019
Synonyms: (4E)- 1- (6- fluoro- 1,3- benzothiazol- 2- yl)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 5- [4- (prop- 2- en- 1- yloxy)phenyl]pyrrolidine- 2,3- dione
Smiles: C=CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F

STK588020
Synonyms: N- [4- (diethylamino)phenyl]- 2- {[5- (2- methoxyphenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)c1ccccc1OC)CC

STK588021
Synonyms: N'- [(1Z)- 3- amino- 1H- isoindol- 1- ylidene]pyridine- 2- carbohydrazide
Smiles: O=C(c1ccccn1)N/N=C/1\N=C(c2c1cccc2)N

STK588022
Synonyms: 5,6- dimethyl- 2- (4- phenylpiperazin- 1- yl)pyrimidin- 4- ol
Smiles: Cc1nc(nc(c1C)O)N1CCN(CC1)c1ccccc1

STK588023
Synonyms: 12- chloro- 3- (pyridin- 2- ylmethyl)- 3,4,7,8,9,10- hexahydro- 2H,6H- benzo[3,4]chromeno[8,7- e][1,3]oxazin- 6- one
Smiles: Clc1cc2c(c3c1OCN(C3)Cc1ccccn1)oc(=O)c1c2CCCC1

STK588024
Synonyms: 2- (4- chlorophenyl)- 8- methoxy- 3- (4- methoxybenzyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC)c1ccc(cc1)Cl

STK588025
Synonyms: 1- [2- (furan- 2- yl)- 8- methyl- 10- phenyl- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl]ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccccc1)c1nc(nn1cn2)c1ccco1

STK588026
Synonyms: N- [(2E)- 3- (3- acetylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)/N=C\1/SC2C(N1c1cccc(c1)C(=O)C)CS(=O)(=O)C2

STK588028
Synonyms: N- [4- ({(1E)- 1- [4- hydroxy- 1- (4- methoxyphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}amino)phenyl]acetamide
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C(\Nc2ccc(cc2)NC(=O)C)/C)/C1=O)O

STK588029
Synonyms: N- [4- (4- chlorophenyl)- 6- methyl- 5- oxo- 2- phenyl- 2,5- dihydropyridazin- 3- yl]- 2- methylbenzamide
Smiles: Clc1ccc(cc1)c1c(=O)c(C)nn(c1NC(=O)c1ccccc1C)c1ccccc1

STK588030
Synonyms: 7- bromo- 2- (4- methylpyridin- 2- yl)- 1- [4- (propan- 2- yl)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccnc(c1)N1C(=O)c2c(C1c1ccc(cc1)C(C)C)c(=O)c1c(o2)ccc(c1)Br

STK588031
Synonyms: 3- [(3a'S,6a'R)- 5'- butyl- 7- ethyl- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cccc2CC

STK588032
Synonyms: 2- {[2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanoyl]amino}benzamide
Smiles: CCC(n1nnc2c(c1=O)cccc2)C(=O)Nc1ccccc1C(=O)N

STK588034
Synonyms: 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C)nnc1c1ccccc1F

STK588035
Synonyms: (5s,7s)- 5- ethyl- 2- (4- ethylphenyl)- 7- methyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: CCc1ccc(cc1)C1N2C[C@@]3(CN1C[C@](C2)(C3=O)CC)C

STK588036
Synonyms: (5Z)- 6- hydroxy- 5- [(2E)- 1- hydroxy- 3- (3- hydroxy- 4- methoxyphenyl)prop- 2- en- 1- ylidene]- 3- (2- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1O)/C=C/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1OC)O)/O

STK588038
Synonyms: 6- benzyl- 2,5- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1nn2c(n1)nc(c(c2O)Cc1ccccc1)C

STK588039
Synonyms: methylN- [(1- {N- [(4- methylphenyl)sulfonyl]- L- alanyl}piperidin- 4- yl)carbonyl]- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)C

STK588040
Synonyms: methyl2- [(3a'S,6a'R)- 5- fluoro- 3'- (1H- indol- 3- ylmethyl)- 2,4',6'- trioxo- 1,2,2',3',3a',4',6',6a'- octahydro- 5'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 5'- yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(F)cc2

STK588041
Synonyms: 2- {[2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2ccccc2C)c2c(n1)CC(OC2)(C)C

STK588042
Synonyms: (5Z)- 5- [5- (3,4- dimethoxyphenyl)- 1- phenylpyrazolidin- 3- ylidene]- 6- hydroxy- 3- (2- phenylethyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1OC)C1C/C(=C/2\C(=NC(=O)N(C2=O)CCc2ccccc2)O)/NN1c1ccccc1

STK588043
Synonyms: 1- (furan- 2- yl)- 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccco1)c(=O)c1c(o2)cccc1

STK588044
Synonyms: N- cyclooctyl- 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]hexanamide
Smiles: O=C(NC1CCCCCCC1)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK588046
Synonyms: N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)thiophene- 2- carboxamide
Smiles: O=C(N(Cc1cc2cccc(c2[nH]c1=O)C)Cc1cccnc1)c1cccs1

STK588048
Synonyms: (4E)- 5- (4- tert- butylphenyl)- 4- (hydroxy{4- [(3- methylbenzyl)oxy]phenyl}methylidene)- 1- (1,3- thiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1nccs1)/O

STK588050
Synonyms: 3- (4- chlorobenzyl)- 8- (2- methoxyphenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)Cl

STK588051
Synonyms: N- (4- ethylphenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK588052
Synonyms: 9- (5- methyl- 1,2- oxazol- 3- yl)- 8- (4- nitrophenyl)- 8,9- dihydrobenzo[7,8]chromeno[2,3- c]pyrrole- 7,10- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)c1c(o2)c2ccccc2cc1

STK588053
Synonyms: (4E)- 4- (dibenzo[b,d]furan- 2- ylmethylidene)- 2- (furan- 2- yl)- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C/c1ccc2c(c1)c1ccccc1o2)c1ccco1

STK588054
Synonyms: 2- (4- ethoxy- 3- methoxyphenyl)- 4- imino- 6,7,11,12- tetrahydro- 4H,10H- [1,4]dioxepino[2,3- g]pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: CCOc1ccc(cc1OC)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N

STK588056
Synonyms: 7- fluoro- 1- (3- hydroxyphenyl)- 2- [6- (propan- 2- yl)- 1,3- benzothiazol- 2- yl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Oc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)C(C)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK588059
Synonyms: N- [4- (dimethylamino)phenyl]- 2- {[4- ethyl- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1CC)SCC(=O)Nc1ccc(cc1)N(C)C

STK588061
Synonyms: 1,3- dimethyl- 8- [(4- methylpiperazin- 1- yl)methyl]- 7- (naphthalen- 1- ylmethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN1CCN(CC1)Cc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

STK588062
Synonyms: (2E)- 1- (6- bromo- 2- hydroxy- 4- phenylquinolin- 3- yl)- 3- (2- chloro- 7- methylquinolin- 3- yl)prop- 2- en- 1- one
Smiles: Cc1ccc2c(c1)nc(c(c2)/C=C/C(=O)c1c(O)nc2c(c1c1ccccc1)cc(cc2)Br)Cl

STK588063
Synonyms: 6- chloro- 4- ethyl- 9- [3- (morpholin- 4- yl)propyl]- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CO1)CCCN1CCOCC1

STK588064
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- 1- (4- chlorophenyl)ethanone
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)c1ccc(cc1)Cl

STK588065
Synonyms: (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)(3- fluorophenyl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1cccc(c1)F

STK588066
Synonyms: N- (2,6- diethylphenyl)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1c(CC)cccc1CC

STK588067
Synonyms: 3- (1H- benzimidazol- 2- yl)- N- (3- phenylpropyl)propanamide
Smiles: O=C(CCc1nc2c([nH]1)cccc2)NCCCc1ccccc1

STK588068
Synonyms: 1- (2- methoxyphenyl)- 2- [3- (morpholin- 4- yl)propyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccccc1C1N(CCCN2CCOCC2)C(=O)c2c1c(=O)c1c(o2)cccc1

STK588070
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- fluoro- 4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)F)C)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK588072
Synonyms: 7,7- dimethyl- 2- phenyl- 4- (propan- 2- ylsulfanyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: CC(Sc1nc(nc2c1COC(C2)(C)C)c1ccccc1)C

STK588073
Synonyms: 7- [(2,6- dichlorobenzyl)sulfanyl]- 12,12- dimethyl- 12,13- dihydro- 10H- pyrano[4',3':4,5]thieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidine
Smiles: Clc1cccc(c1CSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)C)Cl

STK588075
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 2- (9- methoxy- 5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)acetamide
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2CC(=O)NCCc1ccc(c(c1)OC)OC

STK588078
Synonyms: 3- (7- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,5- dione
Smiles: CC1N(CCc2c1cc1OCCCOc1c2)C1CC(=O)N(C1=O)c1cccc(c1)C(F)(F)F

STK588080
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (1,3- benzodioxol- 5- ylcarbonyl)- 2'- {[3- (prop- 2- en- 1- yloxy)phenyl]carbonyl}- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: C=CCOc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK588081
Synonyms: 2- [(2- oxo- 2H- chromen- 7- yl)oxy]- N- (4- phenoxyphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Oc1ccccc1)COc1ccc2c(c1)oc(=O)cc2

STK588082
Synonyms: cyclohexyl[4- (dimethylamino)phenyl][hydroxy(2- methoxyphenyl)methyl]phosphinate
Smiles: COc1ccccc1C(P(=O)(c1ccc(cc1)N(C)C)OC1CCCCC1)O

STK588084
Synonyms: N- {[3- (trifluoromethyl)phenyl]carbamoyl}- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1cccc(c1)C(F)(F)F

STK588091
Synonyms: methylN- {[2- (cyclohex- 1- en- 1- yl)ethyl]carbamoyl}- L- methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)NCCC1=CCCCC1

STK588092
Synonyms: (4E)- 2- (5- bromopyridin- 2- yl)- 4- {[(2- methylphenyl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: Brc1ccc(nc1)N1C(=O)/C(=C/Nc2ccccc2C)/c2c(C1=O)cccc2

STK588094
Synonyms: N- [4- (benzyloxy)phenyl]- 2- {[4- (furan- 2- ylmethyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK588095
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,5- dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK588096
Synonyms: (4E)- 1- {5- [(2- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 5- (3- hydroxyphenyl)pyrrolidine- 2,3- dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)O)c1nnc(s1)SCc1ccccc1Cl)/O

STK588099
Synonyms: 2- (2,4- dichlorophenyl)- 10- methyl- 8,11- diphenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)c1nn2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)c(C)nn2c1ccccc1

STK588101
Synonyms: N- (2- chloro- 4- methylphenyl)- 1- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- prolinamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1Cl)C

STK588104
Synonyms: ethyl1- (2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1nc(nc2c1oc1c2cccc1)c1ccccc1

STK588105
Synonyms: N- (2- bromophenyl)- 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Br)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1

STK588106
Synonyms: 2- {[4,5- bis(4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C

STK588107
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (3- ethoxyphenyl)- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK588110
Synonyms: (5Z)- 3- (2- chlorophenyl)- 6- hydroxy- 5- [(2E)- 1- hydroxy- 3- (3- hydroxy- 4- methoxyphenyl)prop- 2- en- 1- ylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1O)/C=C/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1Cl)O)/O

STK588112
Synonyms: 2- tert- butyl- 7- (5- chloro- 2- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccc(c(c1)n1ncc2c1ncn1c2nc(n1)C(C)(C)C)C

STK588113
Synonyms: N- [(2E)- 3- (3- methoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 4- phenylbutanamide
Smiles: COc1cccc(c1)N1/C(=N\C(=O)CCCc2ccccc2)/SC2C1CS(=O)(=O)C2

STK588114
Synonyms: 9- methyl- 3- [(Z)- (4- oxo- 3- propyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 2- (4- phenylpiperazin- 1- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)/C1=O

STK588115
Synonyms: 3- [(4- tert- butylbenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(nnc1COc1ccc(cc1)C)SCc1ccc(cc1)C(C)(C)C

STK588117
Synonyms: 3- amino- 6- (pyridin- 4- yl)- N- [3- (trifluoromethyl)phenyl]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1ccncc1)Nc1cccc(c1)C(F)(F)F

STK588118
Synonyms: 1',3'- diethyl- 3- (2- fluorophenyl)- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: CCN1C(=O)N(CC)C(=O)C2(C1=O)Cc1ccccc1N1C2CN(CC1)c1ccccc1F

STK588119
Synonyms: 8- (5- chloro- 2- methoxyphenyl)- 1,7- dimethyl- 3- (2- methylprop- 2- en- 1- yl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COc1ccc(cc1n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=C)C)Cl

STK588120
Synonyms: 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 1- (4- nitrophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)c1c(o2)cccc1

STK588121
Synonyms: 14- (2- bromophenyl)- 3,3- dimethyl- 2,3,4,6,7,14- hexahydro- 1H- [1,3]dioxolo[6,7]isoquino[2,1- a]quinolin- 1- one
Smiles: O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1c(c2)OCO1)c1ccccc1Br

STK588124
Synonyms: 4- {[(E)- (2- chloro- 6- fluorophenyl)methylidene]amino}- 5- (2- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccccc1c1n[nH]c(=S)n1/N=C/c1c(F)cccc1Cl

STK588125
Synonyms: N- [4- (diethylamino)phenyl]- 4,5,6- trimethoxy- 1H- indole- 2- carboxamide
Smiles: CCN(c1ccc(cc1)NC(=O)c1cc2c([nH]1)cc(c(c2OC)OC)OC)CC

STK588128
Synonyms: 3,5- dimethoxy- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC(C)C

STK588129
Synonyms: N- [(2Z)- 3- (2,4- dimethylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1ccc(cc1C)C)CS(=O)(=O)C2

STK588130
Synonyms: N- [(3Z)- 1- butyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- chlorobenzenesulfonamide
Smiles: CCCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)Cl)/c2c1nc1ccccc1c2

STK588131
Synonyms: 2- methoxy- 6- {4- [5- methyl- 2- (propan- 2- yl)phenoxy]quinazolin- 2- yl}phenol
Smiles: COc1cccc(c1O)c1nc(Oc2cc(C)ccc2C(C)C)c2c(n1)cccc2

STK588132
Synonyms: N- [3- (4- methoxyphenyl)- 1- methyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]butanamide
Smiles: CCCC(=O)Nc1c(c2ccc(cc2)OC)c(=O)c2c(n1C)cccc2

STK588135
Synonyms: 6- hydroxy- 5- [(2E)- 3- (4- hydroxy- 3- methoxy- 5- nitrophenyl)prop- 2- enoyl]- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: COc1cc(/C=C/C(=O)c2c(O)n(C)c(=O)n(c2=O)C)cc(c1O)[N+](=O)[O-]

STK588136
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (4- methoxyphenyl)- 1- {5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK588137
Synonyms: 2- (9- fluoro- 5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)- N- (2- phenylethyl)acetamide
Smiles: O=C(Cn1c2ccc(cc2c2c1c(=O)n1CCSc1n2)F)NCCc1ccccc1

STK588140
Synonyms: 4- (butylsulfanyl)- 7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: CCCCSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK588141
Synonyms: 2- methoxy- N- (2- methoxyethyl)- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]acetamide
Smiles: COCCN(C(=O)COC)Cc1cc2cccc(c2[nH]c1=O)C

STK588142
Synonyms: N- cyclohexyl- 5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)NC1CCCCC1

STK588143
Synonyms: N- {[1- (tert- butoxycarbonyl)piperidin- 4- yl]carbonyl}- L- valine
Smiles: CC([C@@H](C(=O)O)NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)C

STK588144
Synonyms: 3- (thiophen- 2- yl)- 3,4- dihydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: OC1=C2C=Nc3c(N=C2CC(C1)c1cccs1)cccc3

STK588145
Synonyms: N- [(2E)- 3- (4- fluorobenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- phenylacetamide
Smiles: O=C(/N=C\1/SC2C(N1Cc1ccc(cc1)F)CS(=O)(=O)C2)Cc1ccccc1

STK588147
Synonyms: methyl4- oxo- 2- sulfanyl- 3- (2,2,6,6- tetramethylpiperidin- 4- yl)- 3,4- dihydroquinazoline- 7- carboxylate
Smiles: COC(=O)c1ccc2c(c1)nc(n(c2=O)C1CC(C)(C)NC(C1)(C)C)S

STK588148
Synonyms: 6- cyclohexyl- 2- hydroxy- 1- (2- phenylethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: O=c1nc(O)n(c2c1CN(CN2)C1CCCCC1)CCc1ccccc1

STK588149
Synonyms: 1- benzyl4- (4- methyl- 2- oxo- 2H- chromen- 7- yl)piperidine- 1,4- dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OCc1ccccc1)Oc1ccc2c(c1)oc(=O)cc2C

STK588150
Synonyms: 2- phenyl- 5,6,10,11- tetrahydro- 9H- [1,4]dioxepino[2,3- g]pyrrolo[2,1- a]isoquinoline
Smiles: C1COc2c(OC1)cc1c(c2)c2cc(cn2CC1)c1ccccc1

STK588152
Synonyms: 8- (3- chlorophenyl)- 1- methyl- 3- (4- methylbenzyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Cc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)Cl

STK588154
Synonyms: N- [(1Z)- 1- {1- cyano- 2- [(3- methylphenyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccccc1)/C(=O)Nc1cccc(c1)C

STK588156
Synonyms: 5- (1,3- benzodioxol- 5- ylmethyl)- N- [(2E)- 4,6,7- trimethylquinazolin- 2(1H)- ylidene]- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: Cc1cc2c(C)n/c(=N/C3=NCN(CN3)Cc3ccc4c(c3)OCO4)/[nH]c2cc1C

STK588157
Synonyms: 1- ({1,3- dimethyl- 7- [2- (morpholin- 4- yl)ethyl]- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl}methyl)piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)Cc1nc2c(n1CCN1CCOCC1)c(=O)n(c(=O)n2C)C

STK588158
Synonyms: 7- (3- hydroxypropyl)- 1,3- dimethyl- 8- [(3- methylpiperidin- 1- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCCn1c(CN2CCCC(C2)C)nc2c1c(=O)n(c(=O)n2C)C

STK588159
Synonyms: (4E)- 4- [(4- ethoxyphenyl)(hydroxy)methylidene]- 1- (4- methoxyphenyl)- 5- (3- nitrophenyl)pyrrolidine- 2,3- dione
Smiles: CCOc1ccc(cc1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1ccc(cc1)OC)/O

STK588160
Synonyms: 5- [3- (benzyloxy)phenyl]- N'- [(E)- (3,5- dimethyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1)N/N=C/c1c(C)nn(c1C)c1ccccc1

STK588161
Synonyms: (3a'S,6a'R)- 5- bromo- 5'- (butan- 2- yl)- 3'- (4- hydroxybenzyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(Br)cc2)C

STK588163
Synonyms: N- [(2E)- 6- methoxy- 4- methylquinazolin- 2(1H)- ylidene]- 5- (pyridin- 3- ylmethyl)- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)Cc1cccnc1)/[nH]2

STK588164
Synonyms: N- benzyl- N- ethyl- 4,5,6,7- tetrahydro- 2H- indazole- 3- carboxamide
Smiles: CCN(C(=O)c1[nH]nc2c1CCCC2)Cc1ccccc1

STK588166
Synonyms: 3- (4- methylphenyl)- 3,4- dihydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: Cc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N=C2)C1)O

STK588167
Synonyms: 3- (3- chlorophenyl)- 12- (pyridin- 3- yl)- 2,3,4,12- tetrahydrobenzimidazo[2,1- b]quinazolin- 1- ol
Smiles: Clc1cccc(c1)C1CC(=C2C(=Nc3n(C2c2cccnc2)c2c(n3)cccc2)C1)O

STK588172
Synonyms: (4E)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 5- (4- ethoxy- 3- methoxyphenyl)- 1- (5- methyl- 1,2- oxazol- 3- yl)pyrrolidine- 2,3- dione
Smiles: CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1noc(c1)C

STK588174
Synonyms: N- [4- (diethylamino)phenyl]- 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)N(CC)CC)nnc1COc1ccccc1

STK588175
Synonyms: 2- {benzyl[2,2- dimethyl- 5- (propan- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl]amino}ethanol
Smiles: OCCN(c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C)Cc1ccccc1

STK588176
Synonyms: 4- acetyl- N- [(3Z)- 1- butyl- 8- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzenesulfonamide
Smiles: CCCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)C(=O)C)/c2c1nc1c(C)cccc1c2

STK588180
Synonyms: 6- (4- methoxybenzyl)- 1- (2- methylphenyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: COc1ccc(cc1)CN1CNc2c(C1)c(=O)nc(n2c1ccccc1C)S

STK588181
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- (5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)acetamide
Smiles: O=C(Cn1c2ccccc2c2c1c(=O)n1CCSc1n2)Nc1ccc2c(c1)OCO2

STK588182
Synonyms: (5Z)- 5- [1- acetyl- 5- (3,4- dimethoxyphenyl)pyrazolidin- 3- ylidene]- 1- (prop- 2- en- 1- yl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: C=CCN1C(=O)NC(=O)/C(=C/2\CC(N(N2)C(=O)C)c2ccc(c(c2)OC)OC)/C1=O

STK588185
Synonyms: 3- cyclopentyl- N- [(2Z)- 5,5- dioxido- 3- phenyltetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]propanamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccccc1)CS(=O)(=O)C2)CCC1CCCC1

STK588187
Synonyms: N- (2,5- dichlorophenyl)- 2- {[4- (4- methylphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1

STK588188
Synonyms: 2- [(2- hydroxyethyl)amino]- 3- phenyl- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: OCCNc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCCC3

STK588189
Synonyms: 2- (2,3- dimethylbutan- 2- yl)- 4- methylphenylphenylcarbamate
Smiles: O=C(Oc1ccc(cc1C(C(C)C)(C)C)C)Nc1ccccc1

STK588190
Synonyms: 2- amino- 6- phenyl- 4- (3,4,5- trimethoxyphenyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc(cc1c1cc(OC)c(c(c1)OC)OC)c1ccccc1

STK588191
Synonyms: tert- butyl(3S)- 3- ({(2S)- 1- [(4- methoxybenzyl)amino]- 3- methyl- 1- oxobutan- 2- yl}carbamoyl)- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: COc1ccc(cc1)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK588193
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N- [(2Z)- 4- phenyl- 1,3- thiazol- 2(3H)- ylidene]acetamide
Smiles: O=C(/N=c/1\scc([nH]1)c1ccccc1)CN1CCN(CC1)Cc1ccccc1

STK588198
Synonyms: N- (furan- 2- ylmethyl)- N- (4- methoxybenzyl)- 2- oxo- 2,3- dihydro- 1,3- benzoxazole- 6- sulfonamide
Smiles: COc1ccc(cc1)CN(S(=O)(=O)c1ccc2c(c1)oc(=O)[nH]2)Cc1ccco1

STK588201
Synonyms: 5- (3- ethoxyphenyl)- 4- ({(E)- [4- (pentyloxy)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCCCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OCC

STK588202
Synonyms: (2E)- 3- (2- methoxyphenyl)- N- [(4- phenyltetrahydro- 2H- pyran- 4- yl)methyl]prop- 2- enamide
Smiles: COc1ccccc1/C=C/C(=O)NCC1(CCOCC1)c1ccccc1

STK588203
Synonyms: 5- {[(2Z)- 3- (4- bromo- 2,6- dimethylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1c(C)cc(cc1C)Br)CS(=O)(=O)C2

STK588204
Synonyms: 8- {[4- (furan- 2- ylcarbonyl)piperazin- 1- yl]methyl}- 7- heptyl- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCn1c(CN2CCN(CC2)C(=O)c2ccco2)nc2c1c(=O)n(c(=O)n2C)C

STK588205
Synonyms: 5,9- dimethyl- 2- (pyridin- 3- yl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)c1cccnc1

STK588206
Synonyms: N- {4- [(3a'S,6a'R)- 3'- (1H- indol- 3- ylmethyl)- 2,4',6'- trioxo- 1,2,2',3',3a',4',6',6a'- octahydro- 5'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 5'- yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cccc2

STK588207
Synonyms: 4- (2,3- dimethylbutan- 2- yl)phenylphenylcarbamate
Smiles: O=C(Nc1ccccc1)Oc1ccc(cc1)C(C(C)C)(C)C

STK588208
Synonyms: 2- (benzylsulfanyl)- 9- (3- hydroxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Oc1cccc(c1)C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1

STK588210
Synonyms: 2- [5- hydroxy- 2- (4- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]hexahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: Cc1ccc(cc1)c1nn2c(n1)nc(cc2N1C(=O)C2C(C1=O)CCCC2)O

STK588211
Synonyms: (1'S,3R,3'S,7a'S)- 7''- chloro- 1'- [(2- ethoxyphenyl)carbonyl]- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1Cl

STK588213
Synonyms: 2- (4- fluorophenyl)- 3- (2- methoxyethyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccc(cc1)F

STK588214
Synonyms: 8- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1Cc1ccccc1C)c(=O)n(c(=O)n2C)C

STK588216
Synonyms: 9- (4- chlorobenzyl)- 6- methyl- 2,3,9,10- tetrahydro- 8H- cyclopenta[3,4]chromeno[6,7- e][1,3]oxazin- 4(1H)- one
Smiles: Clc1ccc(cc1)CN1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2

STK588217
Synonyms: N- (furan- 2- ylmethyl)- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]pyridine- 4- carboxamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)c1ccncc1)Cc1ccco1

STK588218
Synonyms: [(3aR,4R,4aR,7aS,8R,8aR)- 3- (3- nitrophenyl)- 5,7- dioxo- 3a,4,4a,5,7,7a,8,8a- octahydro- 6H- 4,8- methano[1,2]oxazolo[4,5- f]isoindol- 6- yl]aceticacid
Smiles: OC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1cccc(c1)[N+](=O)[O-]

STK588219
Synonyms: 2- hydroxy- N'- [(E)- quinolin- 6- ylmethylidene]benzohydrazide
Smiles: O=C(c1ccccc1O)N/N=C/c1ccc2c(c1)cccn2

STK588223
Synonyms: 5- (4- chlorophenyl)- 10- (4- hydroxyphenyl)- 1,3,7,7- tetramethyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Oc1ccc(cc1)C1OCC(n2c1c1n(C)c(=O)n(c(=O)c1c2c1ccc(cc1)Cl)C)(C)C

STK588224
Synonyms: 5- (3,4,5- trimethoxyphenyl)- 4- {[(E)- (2,4,6- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(OC)c(c(c1)OC)/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC

STK588227
Synonyms: 8- (3- chloro- 2- methylphenyl)- 3- ethyl- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1C)Cl

STK588228
Synonyms: 3- (3- chlorophenyl)- 4- (4- chlorophenyl)- 5- [(3- fluorobenzyl)sulfanyl]- 4H- 1,2,4- triazole
Smiles: Clc1ccc(cc1)n1c(SCc2cccc(c2)F)nnc1c1cccc(c1)Cl

STK588229
Synonyms: N- (2,5- dimethylphenyl)- 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]hexanamide
Smiles: O=C(Nc1cc(C)ccc1C)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK588230
Synonyms: (3a'S,6a'R)- 5- bromo- 5'- butyl- 3'- [2- (methylsulfanyl)ethyl]- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCCC)C(=O)Nc1c2cc(Br)cc1

STK588231
Synonyms: 7- (3- chlorobenzyl)- 8- [(2- hydroxyethyl)(methyl)amino]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCN(c1nc2c(n1Cc1cccc(c1)Cl)c(=O)n(c(=O)n2C)C)C

STK588232
Synonyms: 2- [(2,5- dichlorophenyl)sulfonyl]- 6,7- dimethoxy- 1- methyl- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)S(=O)(=O)c1cc(Cl)ccc1Cl

STK588233
Synonyms: methylN- [(4- phenoxyphenyl)carbamoyl]- D- phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)Oc1ccccc1

STK588235
Synonyms: (3R,3'S,3a'S,6a'R)- 5'- (2- bromophenyl)- 3'- [2- (methylsulfanyl)ethyl]- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CSCC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1Br)C(=O)Nc1c2cccc1

STK588239
Synonyms: 9- (4- ethoxyphenyl)- 3- hexyl- 1- methyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: CCCCCCn1c(=O)c2n3CCCN(c3nc2n(c1=O)C)c1ccc(cc1)OCC

STK588240
Synonyms: propyl[4- (dimethylamino)phenyl][hydroxy(pyridin- 4- yl)methyl]phosphinate
Smiles: CCCOP(=O)(C(c1ccncc1)O)c1ccc(cc1)N(C)C

STK588242
Synonyms: 2- (6- ethyl- 1,3- benzothiazol- 2- yl)- 1- (3- hydroxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cccc1

STK588243
Synonyms: (1'S,3R,3'S,7a'S)- 1'- [(4- fluorophenyl)carbonyl]- 5''- methyl- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(C)cc1

STK588244
Synonyms: N- [(2Z)- 3- (2,4- dimethoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methoxyacetamide
Smiles: COCC(=O)/N=C/1\SC2C(N1c1ccc(cc1OC)OC)CS(=O)(=O)C2

STK588247
Synonyms: 1'- butyl- 2'- hydroxy- 13- methyl- 1,2,3,4,5,5a- hexahydro- 4'H,7H,8H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2- a]azepine- 6,5'- pyrimidine]- 4',6',8(1'H)- trione
Smiles: CCCCN1C(=NC(=O)C2(C1=O)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2C)O

STK588248
Synonyms: N- [(2Z)- 3- (3,4- dimethoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: COc1cc(ccc1OC)CN1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2

STK588249
Synonyms: N- (3- fluorophenyl)- 5- (phenoxymethyl)furan- 2- carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1ccc(o1)COc1ccccc1

STK588250
Synonyms: 5- (2- fluorophenyl)- 4- {[(E)- (4- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK588251
Synonyms: 3- amino- 6- (1,3- benzodioxol- 5- yl)- N- (2,4- dichlorophenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Clc1ccc(c(c1)Cl)NC(=O)c1sc2c(c1N)ccc(n2)c1ccc2c(c1)OCO2

STK588252
Synonyms: 2- [8- (3- chlorophenyl)- 11- (4- methoxyphenyl)- 10- methyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]phenol
Smiles: COc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccc1O)c1cccc(c1)Cl

STK588253
Synonyms: 2- (4- fluorophenyl)- 10- methyl- 8- phenyl- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Fc1ccc(cc1)c1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1ccccc1

STK588254
Synonyms: 4- {(Z)- [2- (3- bromophenyl)- 5- oxo- 1,3- oxazol- 4(5H)- ylidene]methyl}- 2- methoxyphenylethylcarbonate
Smiles: CCOC(=O)Oc1ccc(cc1OC)/C=C/1\N=C(OC1=O)c1cccc(c1)Br

STK588255
Synonyms: 8- (4- ethoxyphenyl)- 1- methyl- 3- (2- methylpropyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CCOc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CC(C)C

STK588257
Synonyms: 4- {[(E)- (5- bromothiophen- 2- yl)methylidene]amino}- 5- (4- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(s1)Br

STK588258
Synonyms: 5- [2- (benzyloxy)phenyl]- N'- [(E)- thiophen- 2- ylmethylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1OCc1ccccc1)N/N=C/c1cccs1

STK588260
Synonyms: N- [4- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- ylsulfonyl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1

STK588262
Synonyms: N- (3,5- dichlorophenyl)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1cc(Cl)cc(c1)Cl

STK588263
Synonyms: N- {2- [(4- fluorophenyl)carbonyl]- 1- benzofuran- 3- yl}- 5- (2- hydroxy- 3,4- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Fc1ccc(cc1)C(=O)c1oc2c(c1NC(=O)c1n[nH]c(c1)c1ccc(c(c1O)C)C)cccc2

STK588264
Synonyms: 3- (furan- 2- ylmethyl)- 2- {[3- (morpholin- 4- yl)propyl]amino}- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: O=c1c2c(sc3c2CCCCC3)nc(n1Cc1ccco1)NCCCN1CCOCC1

STK588265
Synonyms: N- (2- {2- amino- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl}ethyl)- 4- methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)NCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)C

STK588266
Synonyms: N- [4- (benzyloxy)phenyl]- 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK588270
Synonyms: 2- methyl- 9- [4- (2- methylphenyl)piperazin- 1- yl]- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazoline
Smiles: Cc1ccccc1N1CCN(CC1)c1c2CCCCc2nc2n1nc(c2c1ccccc1)C

STK588272
Synonyms: N- [4- ({(1E)- 1- [1- (4- chlorophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}amino)phenyl]acetamide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)/Nc1ccc(cc1)NC(=O)C

STK588275
Synonyms: methylN- [(4- methoxy- 1H- indol- 2- yl)carbonyl]glycinate
Smiles: COC(=O)CNC(=O)c1[nH]c2c(c1)c(OC)ccc2

STK588276
Synonyms: 1- (3- ethoxyphenyl)- 2- (prop- 2- en- 1- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: C=CCN1C(=O)c2c(C1c1cccc(c1)OCC)c(=O)c1c(o2)cccc1

STK588277
Synonyms: 3- [2- (4- methoxyphenyl)ethyl]- 2,10- dimethylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: COc1ccc(cc1)CCn1c(C)nc2c(c1=O)c(=O)c1c(n2C)cccc1

STK588279
Synonyms: 2- (6- chloro- 1,3- benzothiazol- 2- yl)- 1- (3,4- dimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(ccc1OC)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)c2c1c(=O)c1c(o2)cccc1

STK588280
Synonyms: 3- (1H- benzimidazol- 2- yl)- N- [(1- ethylpyrrolidin- 2- yl)methyl]propanamide
Smiles: CCN1CCCC1CNC(=O)CCc1nc2c([nH]1)cccc2

STK588282
Synonyms: 2,2- dimethyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (4- methylphenyl)propanamide
Smiles: Cc1ccc(cc1)N(C(=O)C(C)(C)C)Cc1cc2cc(C)ccc2[nH]c1=O

STK588284
Synonyms: 8- {[4- (diphenylmethyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK588285
Synonyms: 4- chloro- N- [4- oxo- 3- (3,4,5- trimethoxyphenyl)- 4H- chromen- 2- yl]benzamide
Smiles: COc1cc(cc(c1OC)OC)c1c(NC(=O)c2ccc(cc2)Cl)oc2c(c1=O)cccc2

STK588289
Synonyms: 4- ({(E)- [4- (benzyloxy)- 3- methoxyphenyl]methylidene}amino)- 5- (2- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(ccc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccccc1OC

STK588291
Synonyms: 2- ({4- (furan- 2- ylmethyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK588292
Synonyms: 4- ({(2'S,3S,3'S,10b'R)- 2- oxo- 2'- [(4- propylphenyl)carbonyl]- 1,2,2',3'- tetrahydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 3'- yl}carbonyl)phenylacetate
Smiles: CCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC(=O)C)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK588293
Synonyms: 4- [(E)- {[3- (2- chlorophenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]- 2,6- dimethoxyphenylacetate
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2c2ccccc2Cl)cc(c1OC(=O)C)OC

STK588294
Synonyms: N- [(2Z)- 5,5- dioxido- 3- phenyltetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: O=C(C1CCCO1)/N=C/1\SC2C(N1c1ccccc1)CS(=O)(=O)C2

STK588295
Synonyms: 2- benzyl- 9- propyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CCCN1CCc2c(C1)sc1c2c2nc(nn2cn1)Cc1ccccc1

STK588298
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (4- ethoxyphenyl)- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK588299
Synonyms: (4Z)- 6- {[4- (3- methoxyphenyl)piperazin- 1- yl]methyl}- 4- [(3- methylphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1cccc(c1)N1CCN(CC1)Cc1nc(N)n/c(=N\c2cccc(c2)C)/[nH]1

STK588301
Synonyms: 2- {[5- (3- methoxyphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2C)C)nnc1c1cccc(c1)OC

STK588302
Synonyms: 4- [(3- {(E)- [1- (furan- 2- ylmethyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- 1H- indol- 1- yl)methyl]benzonitrile
Smiles: N#Cc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)O

STK588303
Synonyms: (3R,3'S,5'S)- 5'- (3- amino- 3- oxopropyl)- N- (2,5- dimethoxyphenyl)- 6,7- dimethyl- 2- oxo- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: COc1ccc(cc1NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2ccc(c1C)C)CCC(=O)N)OC

STK588306
Synonyms: 2- [(3a'S,6a'R)- 6- chloro- 5'- cyclohexyl- 7- methyl- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCC1)C(=O)Nc1c2ccc(c1C)Cl

STK588307
Synonyms: N- (4- bromophenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Br)nnc1COc1ccccc1

STK588308
Synonyms: 3- [(4- tert- butylbenzyl)sulfanyl]- 5- (4- tert- butylphenyl)- 4- phenyl- 4H- 1,2,4- triazole
Smiles: CC(c1ccc(cc1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)(C)C

STK588309
Synonyms: 4- {[(E)- (2,5- dimethoxyphenyl)methylidene]amino}- 5- (3- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(c(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C)OC

STK588310
Synonyms: 3- (4- chlorophenyl)- 6,6- dimethyl- 1- (propan- 2- yl)- 1,5,6,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: Clc1ccc(cc1)n1c(=O)c2c3CC(C)(C)OCc3sc2n(c1=O)C(C)C

STK588311
Synonyms: 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (3- oxobutan- 2- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1C(C(=O)C)C)c(=O)n(c(=O)n2C)C

STK588312
Synonyms: 2,5,9- trimethyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)C

STK588313
Synonyms: 7- fluoro- 2- methyl- 1- (3,4,5- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(cc(c1OC)OC)C1N(C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK588314
Synonyms: 3,4- dimethyl- 9- (tetrahydrofuran- 2- ylmethyl)- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: O=c1oc2c3CN(COc3ccc2c(c1C)C)CC1CCCO1

STK588315
Synonyms: 1,6,7- trimethyl- 3- (3- phenylpropyl)- 8- (tetrahydrofuran- 2- ylmethyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2c(c(n1CC1CCCO1)C)C

STK588316
Synonyms: N- (3- methoxyphenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- phenyl- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C

STK588317
Synonyms: 3- {[4- (pyrrolidin- 1- ylcarbonyl)cyclohexyl]methyl}quinazolin- 4(3H)- one
Smiles: O=C(N1CCCC1)C1CCC(CC1)Cn1cnc2c(c1=O)cccc2

STK588318
Synonyms: N- (3- chloro- 4- fluorophenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK588319
Synonyms: 3- (4- chlorophenyl)- 4- phenyl- 5- {[3- (trifluoromethyl)benzyl]sulfanyl}- 4H- 1,2,4- triazole
Smiles: Clc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1cccc(c1)C(F)(F)F

STK588320
Synonyms: 8- (2,4- dimethoxyphenyl)- 1,3- dimethyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1cc(OC)ccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)C

STK588321
Synonyms: 7,7- dimethyl- 2- (4- methylphenyl)- 4- (prop- 2- en- 1- ylsulfanyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: C=CCSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C

STK588323
Synonyms: (2Z)- 1- (5- bromofuran- 2- yl)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3ccc(o3)Br)/NCCc2cc1OC

STK588324
Synonyms: 2,4- dichloro- N- [(1Z)- 1- {1- cyano- 2- [(furan- 2- ylmethyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1Cl)Cl)/C(=O)NCc1ccco1

STK588325
Synonyms: 2- {[4- (4- chlorophenyl)- 3- cyano- 5- hydroxy- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (2,5- dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)N=C2C(=C(O)CCC2)C1c1ccc(cc1)Cl

STK588326
Synonyms: N- (4- ethylphenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK588328
Synonyms: N- [5- hydroxy- 2- (4- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 4- methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)C

STK588331
Synonyms: N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)benzamide
Smiles: CC(CN(C(=O)c1ccccc1)Cc1cc2cccc(c2[nH]c1=O)C)C

STK588333
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 8- [(2- methylpropyl)amino]- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(NCC(C)C)nc2c1c(O)nc(=O)n2C)COc1cccc(c1)C

STK588335
Synonyms: 4- {[(E)- (2- fluorophenyl)methylidene]amino}- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1F

STK588337
Synonyms: N- (3,5- dimethoxyphenyl)- 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(OC)cc(c2)OC)nnc1c1ccccc1F

STK588338
Synonyms: 1- (4- chlorophenyl)- N- [(1S)- 3- (methylsulfanyl)- 1- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)propyl]cyclopentanecarboxamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)C1(CCCC1)c1ccc(cc1)Cl

STK588340
Synonyms: ethyl1'- (4- chlorophenyl)- 4'- hydroxy- 8- nitro- 2',6'- dioxo- 1,1',2,4,4a,6'- hexahydro- 2'H,3H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 3- carboxylate
Smiles: CCOC(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O

STK588341
Synonyms: (2Z)- N- (1,3- benzodioxol- 5- ylmethyl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 7(8H)- ylidene)ethanamide
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)NCc1ccc2c(c1)OCO2

STK588342
Synonyms: 8- ethyl- N- (3- methoxypropyl)- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- amine
Smiles: COCCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)CC

STK588343
Synonyms: 4- [({1- [3- (4- methyl- 2- oxo- 6,7,8,9- tetrahydro- 2H- [1]benzofuro[3,2- g]chromen- 3- yl)propanoyl]piperidin- 4- yl}carbonyl)amino]butanoicacid
Smiles: OC(=O)CCCNC(=O)C1CCN(CC1)C(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2

STK588344
Synonyms: (5E)- 3- cyclohexyl- 5- [1- (2,3- dihydro- 1H- inden- 5- ylamino)propylidene]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)C1CCCCC1)O)/Nc1ccc2c(c1)CCC2

STK588345
Synonyms: 3- chloro- N- [(2Z)- 3- [(pyridin- 2- ylmethyl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: Clc1cccc(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1NCc1ccccn1

STK588346
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- {[5- (2- chlorophenyl)- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1c1ccccc1Cl

STK588347
Synonyms: 2- {[6- cyano- 8,8- dimethyl- 5- (phenylamino)- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: N#Cc1c2CC(C)(C)OCc2c2n(c1Nc1ccccc1)c(SCC(=O)N(c1ccccc1)c1ccccc1)nn2

STK588348
Synonyms: 8- {[benzyl(methyl)amino]methyl}- 7- (2- fluorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN(Cc1nc2c(n1Cc1ccccc1F)c(=O)n(c(=O)n2C)C)Cc1ccccc1

STK588349
Synonyms: (4E)- 2- (2,5- dimethoxyphenyl)- 4- ({[2- (4- methoxyphenyl)ethyl]amino}methylidene)isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1ccc(cc1)CCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(OC)ccc1OC

STK588350
Synonyms: 2- [(4- tert- butylbenzyl)sulfanyl]- 3- (4- methylphenyl)quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nc2c(c1=O)cccc2

STK588351
Synonyms: (5E)- 3- (4- bromophenyl)- 6- hydroxy- 5- [(1- propyl- 1,2,3,4- tetrahydroquinolin- 6- yl)methylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: CCCN1CCCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Br)O

STK588352
Synonyms: 6- hydroxy- 3- methyl- 8- [(2- methylpropyl)sulfanyl]- 7- pentyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCCCCn1c(SCC(C)C)nc2c1c(O)nc(=O)n2C

STK588354
Synonyms: 11- (furan- 2- yl)- 10- methyl- 8- phenyl- 2- (pyridin- 4- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1nn(c2c1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccncc1)c1ccccc1

STK588356
Synonyms: 4- {[(2'S,3S,3'S,10b'R)- 2- oxo- 2'- (pyridin- 3- ylcarbonyl)- 1,2,2',3'- tetrahydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 3'- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccnc1)C(=O)Nc1c2cccc1)cccc3

STK588357
Synonyms: N'- [(E)- (2,3- dimethoxyphenyl)methylidene]- 4,6- dimethoxy- 1H- indole- 2- carbohydrazide
Smiles: COc1cc(OC)c2c(c1)[nH]c(c2)C(=O)N/N=C/c1cccc(c1OC)OC

STK588358
Synonyms: N- {2- [4- (4- methoxyphenyl)piperazin- 1- yl]ethyl}- 3- methyl- 2- oxo- 2,3- dihydro- 1,3- benzoxazole- 6- sulfonamide
Smiles: COc1ccc(cc1)N1CCN(CC1)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C

STK588359
Synonyms: 2- (2,3- dimethylbutan- 2- yl)- 5- methylphenylphenylcarbamate
Smiles: O=C(Oc1cc(C)ccc1C(C(C)C)(C)C)Nc1ccccc1

STK588360
Synonyms: 2- ethyl- 3- (2- methoxyethyl)- 4H- thiochromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COCCn1c(CC)nc2c(c1=O)c(=O)c1c(s2)cccc1

STK588361
Synonyms: 2- (10- methoxy- 6- oxo- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 7(6H)- yl)- N- phenylacetamide
Smiles: COc1ccc2c(c1)c1nc3SCCCn3c(=O)c1n2CC(=O)Nc1ccccc1

STK588365
Synonyms: (5Z)- 3- [4- (azepan- 1- yl)- 4- oxobutyl]- 5- (2- chlorobenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2ccccc2Cl)/C(=O)N1CCCC(=O)N1CCCCCC1

STK588366
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- dichlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK588367
Synonyms: ethylN- [({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetyl]glycinate
Smiles: C=CCn1c(SCC(=O)NCC(=O)OCC)nnc1COc1ccc(cc1)Cl

STK588369
Synonyms: 8- (4- methoxybenzyl)- 1,7- dimethyl- 3- (3- methylbutyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COc1ccc(cc1)Cn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCC(C)C

STK588370
Synonyms: N- (2,5- dimethoxybenzyl)- 5,6- dimethoxy- N- (prop- 2- en- 1- yl)- 1H- indole- 2- carboxamide
Smiles: C=CCN(C(=O)c1cc2c([nH]1)cc(c(c2)OC)OC)Cc1cc(OC)ccc1OC

STK588371
Synonyms: 3- (furan- 2- ylmethyl)- 2- {[2- (2- hydroxyethoxy)ethyl]amino}- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: OCCOCCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3

STK588372
Synonyms: 2- [2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 2- oxoethoxy]benzonitrile
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)COc1ccccc1C#N

STK588375
Synonyms: (3a'S,6a'R)- 6- chloro- 3'- (1- hydroxyethyl)- 5'- (2- methoxybenzyl)- 7- methyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COc1ccccc1CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1ccc(c2C)Cl

STK588376
Synonyms: 5- propyl- N- [(2E)- 4,6,7- trimethylquinazolin- 2(1H)- ylidene]- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: CCCN1CNC(=NC1)/N=c\1/nc(C)c2c([nH]1)cc(c(c2)C)C

STK588378
Synonyms: 4- methoxy- N- [3- (1H- tetrazol- 1- yl)phenyl]benzamide
Smiles: COc1ccc(cc1)C(=O)Nc1cccc(c1)n1cnnn1

STK588379
Synonyms: (1'R,2'R)- 2'- (4- chlorophenyl)- 1'- [(4- fluorophenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(cc1)Cl)C(=O)c1c(C2=O)cccc1

STK588380
Synonyms: (4E)- 5- (2- fluorophenyl)- 4- [furan- 2- yl(hydroxy)methylidene]- 1- [5- (prop- 2- en- 1- ylsulfanyl)- 1,3,4- thiadiazol- 2- yl]pyrrolidine- 2,3- dione
Smiles: C=CCSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccco2)/O)/C1c1ccccc1F

STK588381
Synonyms: 1'- butyl- 6- hydroxy- 6'- nitro- 3- (prop- 2- en- 1- yl)- 2'- propyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CCCC1N(CCCC)c2ccc(cc2CC21C(=NC(=O)N(C2=O)CC=C)O)[N+](=O)[O-]

STK588382
Synonyms: 7'- {[(E)- (1- ethyl- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]amino}- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: CCN1C(=NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)S

STK588383
Synonyms: 2- [(6- chloro- 4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (3- hydroxypropyl)acetamide
Smiles: Cc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)NCCCO

STK588384
Synonyms: 2- (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)- N- [4- methyl- 3- (morpholin- 4- ylsulfonyl)phenyl]acetamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)CC(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C

STK588386
Synonyms: N- (7- methyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 1- yl)thiophene- 2- carboxamide
Smiles: Cc1ccc2c(c1)nc1c(c2)CCN1NC(=O)c1cccs1

STK588388
Synonyms: 6- phenyl- 9- (2,3,4- trimethoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(c(c1OC)OC)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1

STK588390
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2- chloro- 6- fluorophenyl)methylidene]- 5- (4- propoxyphenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(F)cccc1Cl

STK588391
Synonyms: N- [2- (morpholin- 4- yl)ethyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1CCCC2)NCCN1CCOCC1

STK588394
Synonyms: 7- (4- chlorobenzyl)- 8- [(2E)- 2- (4- chlorobenzylidene)hydrazinyl]- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Clc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(O)nc(=O)n2C

STK588395
Synonyms: 8- amino- N- (2- chlorophenyl)- 3,4- dihydro- 2H- 1,4- ethanothieno[2,3- b][1,5]naphthyridine- 7- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)C2CCN1CC2)Nc1ccccc1Cl

STK588396
Synonyms: 2- {[2- (3- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: COc1cccc(c1)c1nc(SCC(=O)Nc2ccccc2C)c2c(n1)CC(OC2)(C)C

STK588397
Synonyms: 7- (butan- 2- ylsulfanyl)- 5- tert- butyl- 2- methyl- 3- phenylpyrazolo[1,5- a]pyrimidine
Smiles: CCC(Sc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C)C

STK588399
Synonyms: 2- [6- (propan- 2- yl)- 1,3- benzothiazol- 2- yl]- 1- (3,4,5- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(cc(c1OC)OC)C1N(c2nc3c(s2)cc(cc3)C(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK588400
Synonyms: 2- {[2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 2- oxoethyl]sulfanyl}- 3- propylquinazolin- 4(3H)- one
Smiles: CCCn1c(SCC(=O)N2CCc3c(C2)cc(c(c3)OC)OC)nc2c(c1=O)cccc2

STK588401
Synonyms: 2- [(3a'S,6a'R)- 5- chloro- 5'- (3- methoxypropyl)- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(Cl)cc2

STK588402
Synonyms: 1- (2- fluorophenyl)- 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)cccc1

STK588403
Synonyms: 9- (2- chlorophenyl)- 6- (4- fluorophenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Fc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2ccccc2Cl)ncn3)C1)O

STK588404
Synonyms: 6- butyl- 1- (2- phenylethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CCCCN1CNc2c(C1)c(=O)nc(n2CCc1ccccc1)S

STK588405
Synonyms: 1,3- dimethyl- 8- [(4- methylpiperidin- 1- yl)methyl]- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK588406
Synonyms: 2- hydroxy- 7- methoxy- 3- {[(E)- (4- methoxyphenyl)methylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc(cc1)/C=N/n1c(O)nc2c(c1=O)[nH]c1c2ccc(c1)OC

STK588407
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 2- ylmethyl)- N'- (4- methoxyphenyl)ethanediamide
Smiles: COc1ccc(cc1)NC(=O)C(=O)NCC1COc2c(O1)cccc2

STK588408
Synonyms: 8- [(4- ethylpiperazin- 1- yl)methyl]- 7- heptyl- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCn1c(CN2CCN(CC2)CC)nc2c1c(=O)n(c(=O)n2C)C

STK588409
Synonyms: 4- [1- methyl- 4- (3- nitrophenyl)- 2,5- dioxo- 1,2,3,4,5,7- hexahydro- 6H- pyrrolo[3,4- d]pyrimidin- 6- yl]benzenesulfonamide
Smiles: O=C1NC(c2cccc(c2)[N+](=O)[O-])C2=C(N1C)CN(C2=O)c1ccc(cc1)S(=O)(=O)N

STK588411
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- chlorophenyl)carbonyl]- 2'- (thiophen- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3

STK588413
Synonyms: 2- [2- amino- 5- (3- methoxyphenoxy)- 6- methylpyrimidin- 4- yl]- 5- [(2- methylprop- 2- en- 1- yl)oxy]phenol
Smiles: COc1cccc(c1)Oc1c(C)nc(nc1c1ccc(cc1O)OCC(=C)C)N

STK588414
Synonyms: 1- (4- fluorophenyl)- 6- (2- methoxyethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: COCCN1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)F)S

STK588415
Synonyms: 3- [(Z)- (3- methyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 2- (4- phenylpiperazin- 1- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2)/C(=O)N1C

STK588416
Synonyms: 5- (3- chlorophenyl)- 4- {[(E)- (2- fluorophenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1F

STK588417
Synonyms: 2- amino- 4- (3- bromo- 4- methoxyphenyl)- 5- hydroxy- 7- methyl- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Br)OC)c(O)nc(c2)C

STK588418
Synonyms: 2- {[4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)nnc1Cc1cccs1

STK588420
Synonyms: N- benzyl- 4- [(5Z)- 5- (2- chlorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- phenylbutanamide
Smiles: O=C(N(c1ccccc1)Cc1ccccc1)CCCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O

STK588421
Synonyms: 8- amino- 1',3'- dimethyl- 1,2,4,4a- tetrahydro- 2'H,6H- spiro[1,4- oxazino[4,3- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: Nc1ccc2c(c1)CC1(C3N2CCOC3)C(=O)N(C)C(=O)N(C1=O)C

STK588423
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK588424
Synonyms: N,N- dimethyl- 3- [(2- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrimidin- 4- yl)sulfanyl]propan- 1- amine
Smiles: CN(CCCSc1nc(nc2c1CCC2)c1ccccc1)C

STK588425
Synonyms: 9- (2,3- dimethoxyphenyl)- 2- (ethylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1cccc(c1OC)OC

STK588427
Synonyms: 4- [4- (benzyloxy)phenyl]- 2- [(2- chlorobenzyl)sulfanyl]- 6- hydroxy- 4,5- dihydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)N=C(CC1c1ccc(cc1)OCc1ccccc1)O

STK588428
Synonyms: 4- {[(E)- (5- bromo- 2- hydroxyphenyl)methylidene]amino}- 5- (2- bromophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1ccc(c(c1)/C=N/n1c(=S)[nH]nc1c1ccccc1Br)O

STK588431
Synonyms: (2Z)- 1- (6- chloropyridin- 3- yl)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3ccc(nc3)Cl)/NCCc2cc1OC

STK588432
Synonyms: 5- (2- chlorophenyl)- 4- ({(E)- [4- (pentyloxy)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCCCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK588433
Synonyms: 8- [(3,4- dimethylphenyl)sulfonyl]- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: Cc1cc(ccc1C)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1

STK588434
Synonyms: 8- (4- ethoxyphenyl)- 1- methyl- 3- (3- phenylpropyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CCOc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCCc1ccccc1

STK588435
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK588436
Synonyms: 2- [4- (2- fluorophenyl)piperazin- 1- yl]- N- [(2Z)- 4- (4- methylphenyl)- 1,3- thiazol- 2(3H)- ylidene]acetamide
Smiles: Cc1ccc(cc1)c1cs/c(=N\C(=O)CN2CCN(CC2)c2ccccc2F)/[nH]1

STK588438
Synonyms: N- (3,4- dimethoxyphenyl)- 2- {[4- ethyl- 5- (2- fluorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1CC)c1ccccc1F

STK588439
Synonyms: 1- (2,3- dimethoxyphenyl)- 2- (6- ethyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccc(c1OC)OC)c(=O)c1c(o2)cccc1

STK588441
Synonyms: 8- (4- chlorophenyl)- 11- (furan- 2- yl)- 2- [(4- methoxyphenoxy)methyl]- 10- methyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccc(cc1)Cl

STK588443
Synonyms: 5- methyl- 7- (3- methylphenyl)benzimidazo[1',2':1,6]pyrimido[4,5- b]quinolin- 14(5H)- one
Smiles: Cc1cccc(c1)c1nc2n(C)c3ccccc3c(=O)c2c2n1c1ccccc1n2

STK588445
Synonyms: 1- (4- fluorophenyl)- 2- hydroxy- 6- (3- phenylpropyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Fc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)CCCc1ccccc1

STK588446
Synonyms: 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 2- [(6- ethoxy- 1,3- benzothiazol- 2- yl)sulfanyl]ethanone
Smiles: CCOc1ccc2c(c1)sc(n2)SCC(=O)N1CCc2c(C1)cc(c(c2)OC)OC

STK588447
Synonyms: 3- (7- hydroxy- 4,8- dimethyl- 2- oxo- 2H- chromen- 3- yl)- N- [3- (1H- imidazol- 1- yl)propyl]propanamide
Smiles: O=C(CCc1c(=O)oc2c(c1C)ccc(c2C)O)NCCCn1cncc1

STK588449
Synonyms: 4,8- dimethyl- 2- oxo- 2H- chromen- 7- ylN- [(4- chlorophenyl)sulfonyl]- beta- alaninate
Smiles: O=C(Oc1ccc2c(c1C)oc(=O)cc2C)CCNS(=O)(=O)c1ccc(cc1)Cl

STK588450
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- chloro- 4,6- dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1Cl)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK588451
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- [(7- methyl- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 9- yl)oxy]acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)COc1cc(C)cc2c1c1CCCc1c(=O)o2

STK588454
Synonyms: 3- (3- chlorophenyl)- 4- (4- chlorophenyl)- 5- [(4- methoxybenzyl)sulfanyl]- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK588455
Synonyms: N- [4- (4- chlorophenyl)- 6- methyl- 5- oxo- 2- phenyl- 2,5- dihydropyridazin- 3- yl]benzamide
Smiles: Clc1ccc(cc1)c1c(=O)c(C)nn(c1NC(=O)c1ccccc1)c1ccccc1

STK588456
Synonyms: 2- [(3a'S,6a'R)- 5'- (butan- 2- yl)- 5- fluoro- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(F)cc2)C

STK588457
Synonyms: (6E)- 4- (1- benzofuran- 2- yl)- 6- [(3- methoxyphenyl)imino]- 1,6- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1cccc(c1)/N=c/1\[nH]c(N)nc(n1)c1cc2c(o1)cccc2

STK588462
Synonyms: 2- (7- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(CN1CCc2c(C1C)cc1c(c2)OCCCO1)Nc1cccc(c1)C(F)(F)F

STK588464
Synonyms: methyl3- [8- (3- methoxyphenyl)- 1,7- dimethyl- 2,4- dioxo- 1,2,4,8- tetrahydro- 3H- imidazo[2,1- f]purin- 3- yl]propanoate
Smiles: COC(=O)CCn1c(=O)c2n3cc(n(c3nc2n(c1=O)C)c1cccc(c1)OC)C

STK588465
Synonyms: 8- [(2- ethoxyethyl)sulfanyl]- 6- hydroxy- 3- methyl- 7- pentyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCCCCn1c(SCCOCC)nc2c1c(O)nc(=O)n2C

STK588466
Synonyms: (2'S,3S,3'S,10b'R)- 2'- {[3- (prop- 2- en- 1- yloxy)phenyl]carbonyl}- 3'- (pyridin- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: C=CCOc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccn2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK588469
Synonyms: 5- (2- chlorophenyl)- 4- {[(E)- (3,4,5- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2c2ccccc2Cl)cc(c1OC)OC

STK588471
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK588472
Synonyms: 1- (4- ethoxyphenyl)- N- (3- methylphenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)C)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK588477
Synonyms: 8- hydrazinyl- 6- hydroxy- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: NNc1nc2c(n1CC(COc1ccc(cc1)C)O)c(O)nc(=O)n2C

STK588478
Synonyms: (1'S,2'S,3R,3a'R)- 1'- acetyl- 7'- methyl- 2'- [(4- pentylphenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: CCCCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)C)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)C

STK588480
Synonyms: 2- (4- chlorophenoxy)- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrimido[6,1- a]isoquinolin- 4- one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(Oc2ccc(cc2)Cl)nc1=O

STK588482
Synonyms: (5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 3- (morpholin- 4- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)N1CCOCC1

STK588483
Synonyms: N- methyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: O=c1[nH]c2ccccc2cc1CN(S(=O)(=O)c1ccccc1)C

STK588484
Synonyms: 2- {[2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (pyridin- 2- yl)acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2ccccn2)c2c(n1)CC(OC2)(C)C

STK588486
Synonyms: 7- (2- fluorophenyl)- 10- (methylsulfanyl)- 6- (thiophen- 2- yl)- 7,11- dihydro- 6H- chromeno[4,3- d][1,2,4]triazolo[1,5- a]pyrimidine
Smiles: CSc1nn2c(=NC3=C(C2c2ccccc2F)C(Oc2c3cccc2)c2cccs2)[nH]1

STK588487
Synonyms: 2- amino- 4- (2,6- dichlorophenyl)- 5- hydroxy- 7- methyl- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1c(Cl)cccc1Cl)c(O)nc(c2)C

STK588488
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [2- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nnc(n1c1ccc(cc1)Cl)Cc1cccs1

STK588490
Synonyms: (8aR)- 7- (2- fluorobenzyl)tetrahydro[1,3]thiazolo[3,4- a]pyrazine- 5,8- dione
Smiles: O=C1N(CC(=O)N2[C@H]1CSC2)Cc1ccccc1F

STK588491
Synonyms: 4- (3- chloro- 4- fluorophenyl)- 5- (6- hydroxypyridazin- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(nn1)c1n[nH]c(=S)n1c1ccc(c(c1)Cl)F

STK588492
Synonyms: N- (3,5- dimethylphenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK588493
Synonyms: (2E)- 1- (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)- 3- (thiophen- 2- yl)prop- 2- en- 1- one
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)/C=C/c1cccs1

STK588494
Synonyms: 7- bromo- 1- (4- ethoxyphenyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK588495
Synonyms: (2E)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- (3,5- dichloro- 4- hydroxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)Cl)O)/c1scc(n1)c1ccc2c(c1)OCO2

STK588496
Synonyms: 1- [(2,4- dichlorobenzyl)sulfanyl]- 4- phenyl- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCC3

STK588497
Synonyms: N- {[1- (tert- butoxycarbonyl)- 4- phenylpiperidin- 4- yl]carbonyl}- L- leucyl- L- asparagine
Smiles: CC(C[C@@H](C(=O)N[C@H](C(=O)O)CC(=O)N)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C

STK588498
Synonyms: (2E)- 2- [(2E)- (2- chloro- 6- fluorobenzylidene)hydrazinylidene]- 4- (3- nitrophenyl)- 2,3- dihydro- 1,3- thiazole
Smiles: Fc1cccc(c1/C=N/N=c\1/scc([nH]1)c1cccc(c1)[N+](=O)[O-])Cl

STK588499
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3,5- dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK588501
Synonyms: N- (furan- 2- ylmethyl)- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]thiophene- 2- carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1cccs1)Cc1ccco1

STK588504
Synonyms: 3- [(3a'S,6a'R)- 5'- butyl- 5- fluoro- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(F)cc2

STK588505
Synonyms: 7- {(E)- [2- (2,4,6- trichlorophenyl)hydrazinylidene]methyl}[1,3]dioxolo[4,5- g]quinolin- 6- ol
Smiles: Clc1cc(Cl)c(c(c1)Cl)N/N=C/c1cc2cc3OCOc3cc2nc1O

STK588507
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK588508
Synonyms: 8- (2,4- dimethoxyphenyl)- 1- methyl- 3- (2- phenylethyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1cc(OC)ccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCc1ccccc1

STK588509
Synonyms: 9- (3- chlorophenyl)- 6- (4- fluorophenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Fc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cccc(c2)Cl)ncn3)C1)O

STK588511
Synonyms: 7'- methoxy- 7- [(4- nitrobenzyl)oxy]- 2H,2'H- 3,4'- bichromene- 2,2'- dione
Smiles: COc1ccc2c(c1)oc(=O)cc2c1cc2ccc(cc2oc1=O)OCc1ccc(cc1)[N+](=O)[O-]

STK588512
Synonyms: N'- [(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]- 5,6- dimethoxy- 1H- indole- 2- carbohydrazide
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N/N=C/c1cccc(c1O)OC

STK588513
Synonyms: N- benzyl- 2- {[2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CSc1nc(SCC(=O)NCc2ccccc2)c2c(n1)sc1c2CCCC1

STK588515
Synonyms: 3- (3- chlorophenyl)- 2- [4- (2- hydroxyethyl)piperazin- 1- yl]- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: OCCN1CCN(CC1)c1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C

STK588516
Synonyms: 2- (4- fluorophenyl)- 3- (furan- 2- ylmethyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: Fc1ccc(cc1)c1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1

STK588517
Synonyms: 1- amino- 4- (propan- 2- ylamino)- 2- (pyrrolidin- 1- yl)anthracene- 9,10- dione
Smiles: CC(Nc1cc(N2CCCC2)c(c2c1C(=O)c1ccccc1C2=O)N)C

STK588518
Synonyms: N- [6,6- dimethyl- 2,4- dioxo- 1- (pyridin- 2- ylmethyl)- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]acetamide
Smiles: CC(=O)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccccn1)C(F)(F)F

STK588519
Synonyms: N- [3- (3,4- dimethoxyphenyl)- 1- methyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]- 2- phenylacetamide
Smiles: COc1cc(ccc1OC)c1c(NC(=O)Cc2ccccc2)n(C)c2c(c1=O)cccc2

STK588521
Synonyms: 4- {[(E)- (2,6- dichlorophenyl)methylidene]amino}- 5- [3- (propan- 2- yloxy)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1c(Cl)cccc1Cl)C

STK588522
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- [4- (benzyloxy)- 3- methoxyphenyl]- 5,7- dioxo- 3a,4,4a,5,7,7a,8,8a- octahydro- 6H- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 6- carboxamide
Smiles: COc1cc(ccc1OCc1ccccc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C(=O)N

STK588523
Synonyms: (3a'S,6a'R)- 5'- butyl- 5- fluoro- 3'- (4- hydroxybenzyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(F)cc2

STK588524
Synonyms: 4- hydroxy- 8- (2- methoxyethyl)- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: COCCn1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK588526
Synonyms: 8- [4- (3- chlorobenzyl)piperazin- 1- yl]- 6- hydroxy- 7- (2- methoxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: COCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1cccc(c1)Cl

STK588527
Synonyms: methyl4- [(3E)- 3- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)- 4,5- dioxopyrrolidin- 2- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK588528
Synonyms: (2E)- N- [(2E)- 6- nitro- 1,3- benzothiazol- 2(3H)- ylidene]- 3- phenylprop- 2- enamide
Smiles: O=C(/N=c\1/sc2c([nH]1)ccc(c2)[N+](=O)[O-])/C=C/c1ccccc1

STK588529
Synonyms: N- (3- fluoro- 4- methylphenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)F)C)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK588530
Synonyms: 3- (4- chlorophenyl)- 12- (pyridin- 3- yl)- 2,3,4,12- tetrahydrobenzimidazo[2,1- b]quinazolin- 1- ol
Smiles: Clc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cccnc2)c2c(n3)cccc2)C1)O

STK588531
Synonyms: ethyl2- (3- {(Z)- [4,6- dioxo- 1- (prop- 2- en- 1- yl)- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}- 2,5- dimethyl- 1H- pyrrol- 1- yl)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: C=CCN1C(=NC(=O)/C(=C/c2cc(n(c2C)c2sc3c(c2C(=O)OCC)CCCC3)C)/C1=O)S

STK588532
Synonyms: ethyl5- ethyl- 2- [(3- {4- [(2E)- 3- phenylprop- 2- en- 1- yl]piperazin- 1- yl}quinoxalin- 2- yl)amino]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1cc(sc1Nc1nc2ccccc2nc1N1CCN(CC1)C/C=C/c1ccccc1)CC

STK588534
Synonyms: (4E)- 1- (3- chloro- 4- methylphenyl)- 4- [hydroxy(phenyl)methylidene]- 5- (4- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(c(c1)Cl)C

STK588535
Synonyms: 3- (5,9- dimethyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)phenol
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)c1cccc(c1)O

STK588537
Synonyms: 6- methoxy- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (3- nitrophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc2c(c1)oc1c(c2=O)C(N(C1=O)c1noc(c1)C)c1cccc(c1)[N+](=O)[O-]

STK588540
Synonyms: N- (2,4- dimethylphenyl)- 1- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- prolinamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1C)C

STK588542
Synonyms: (2S,3R)- 2- (3- chlorophenyl)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)cyclopropane- 1,1- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H]([C@H]1C(=O)C12CC3CC(C2)CC(C1)C3)c1cccc(c1)Cl

STK588543
Synonyms: 4- {[(E)- (4- propoxyphenyl)methylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK588544
Synonyms: 4- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl[(tert- butoxycarbonyl)amino](phenyl)acetate
Smiles: O=C(OC(C)(C)C)NC(c1ccccc1)C(=O)Oc1ccc2c(c1C)oc(=O)c1c2CCCC1

STK588545
Synonyms: 1- (4- chlorophenyl)- 6- (1- phenylethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Clc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)C(c1ccccc1)C

STK588546
Synonyms: (2,6- dichloropyridin- 4- yl)(6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1cc(Cl)nc(c1)Cl

STK588547
Synonyms: N- (4- nitrophenyl)- 3- (4- oxoquinazolin- 3(4H)- yl)propanamide
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CCn1cnc2c(c1=O)cccc2

STK588548
Synonyms: N- [(2S)- 1- (benzylamino)- 3- methyl- 1- oxobutan- 2- yl]- 2,3- dihydro- 1H- imidazo[1,2- a]benzimidazole- 1- carboxamide
Smiles: CC([C@@H](C(=O)NCc1ccccc1)NC(=O)N1CCn2c1nc1c2cccc1)C

STK588550
Synonyms: N- [(2Z)- 5- [(4- chlorobenzyl)sulfonyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- (naphthalen- 1- yl)acetamide
Smiles: Clc1ccc(cc1)CS(=O)(=O)c1n[nH]/c(=N/C(=O)Cc2cccc3c2cccc3)/s1

STK588551
Synonyms: (4E)- 5- (3- fluorophenyl)- 1- (furan- 2- ylmethyl)- 4- [hydroxy(3- nitrophenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: Fc1cccc(c1)C1N(Cc2ccco2)C(=O)C(=O)/C/1=C(\c1cccc(c1)[N+](=O)[O-])/O

STK588552
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- chlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK588553
Synonyms: N- (4- butylphenyl)- 2- {[4- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)OC

STK588557
Synonyms: 4- ({(E)- [4- (benzyloxy)phenyl]methylidene}amino)- 5- (2- chlorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)OCc1ccccc1

STK588558
Synonyms: 3- [(4- fluorobenzyl)sulfanyl]- 8,8- dimethyl- 5- (phenylamino)- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridine- 6- carbonitrile
Smiles: N#Cc1c(Nc2ccccc2)n2c(SCc3ccc(cc3)F)nnc2c2c1CC(C)(C)OC2

STK588559
Synonyms: (4E)- 5- (4- bromophenyl)- 4- [hydroxy(phenyl)methylidene]- 1- (2- phenylethyl)pyrrolidine- 2,3- dione
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1CCc1ccccc1

STK588564
Synonyms: methyl4- [(3E)- 3- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(4- methylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 4,5- dioxopyrrolidin- 2- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK588565
Synonyms: 3'- (butan- 2- yl)- 6'- hydroxy- 4- methyl- 3,4- dihydro- 1H,2'H- spiro[benzo[f]quinoline- 2,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: CCC(N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1)O)C

STK588567
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 5- [4- (propan- 2- yl)phenyl]pyrrolidine- 2,3- dione
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nnc(s1)SCc1cccc2c1cccc2)c1ccc(cc1)C(C)C

STK588568
Synonyms: 3- (3,4- dimethoxyphenyl)- 8- [(4- ethylpiperazin- 1- ium- 1- yl)methyl]- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(c(c1)OC)OC)C(F)(F)F

STK588569
Synonyms: 2- [3- (furan- 2- ylmethyl)- 4- imino- 6,6- dimethyl- 2- oxo- 3,4,5,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 1(6H)- yl]- N- (4- methylphenyl)acetamide
Smiles: O=C(Cn1c(=O)n(Cc2ccco2)c(=N)c2c1sc1c2CC(OC1)(C)C)Nc1ccc(cc1)C

STK588570
Synonyms: 3- (4- chlorobenzyl)- 8- (3- methoxyphenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)Cl

STK588571
Synonyms: 2- ({4- (4- chlorophenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nnc1COc1ccc(cc1)C

STK588572
Synonyms: 7- (2,5- dimethylphenyl)- 2- (pyridin- 4- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccc(c(c1)n1ncc2c1ncn1c2nc(n1)c1ccncc1)C

STK588573
Synonyms: 9- (3,5- difluorophenyl)- 2- (methylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1cc(F)cc(c1)F

STK588574
Synonyms: 10- (1H- benzimidazol- 2- ylmethyl)- 11- (4- chlorophenyl)- 3,3- dimethyl- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: Clc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1Cc1nc3c([nH]1)cccc3)cccc2)(C)C

STK588575
Synonyms: (2Z)- 2- (2- methylbenzylidene)- 7- (morpholin- 4- ium- 4- ylmethyl)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: O=C1/C(=C/c2ccccc2C)/Oc2c1ccc(c2C[NH+]1CCOCC1)[O-]

STK588578
Synonyms: 4- {[(E)- (4- tert- butylphenyl)methylidene]amino}- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)(C)C

STK588579
Synonyms: 11- (3,5- difluorophenyl)- 3,3- dimethyl- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: Fc1cc(F)cc(c1)C1Nc2ccccc2N=C2C1=C(O)CC(C2)(C)C

STK588580
Synonyms: (3- bromophenyl)(3,5,6,7- tetrahydro- 1'H- spiro[imidazo[4,5- c]pyridine- 4,4'- piperidin]- 1'- yl)methanone
Smiles: Brc1cccc(c1)C(=O)N1CCC2(CC1)NCCc1c2[nH]cn1

STK588581
Synonyms: 5,6- dimethoxy- N- (quinolin- 3- yl)- 1H- indole- 2- carboxamide
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)Nc1cnc2c(c1)cccc2

STK588582
Synonyms: N- (2,3- dimethylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nnc1c1cccc(c1)C

STK588583
Synonyms: 4- chloro- N- (4- methylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: Cc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)Cl)Cc1cc2ccccc2[nH]c1=O

STK588584
Synonyms: 1- (3- {[6- (4- acetyl- 5- methyl- 1H- pyrazol- 1- yl)pyrimidin- 4- yl]amino}phenyl)ethanone
Smiles: CC(=O)c1cccc(c1)Nc1ncnc(c1)n1ncc(c1C)C(=O)C

STK588585
Synonyms: 3- (7- hydroxy- 4,8- dimethyl- 2- oxo- 2H- chromen- 3- yl)- N- [2- (morpholin- 4- yl)ethyl]propanamide
Smiles: O=C(NCCN1CCOCC1)CCc1c(=O)oc2c(c1C)ccc(c2C)O

STK588587
Synonyms: 2- methylpropyl[4- (dimethylamino)phenyl][(2- methoxyphenyl)(phenylamino)methyl]phosphinate
Smiles: COc1ccccc1C(P(=O)(c1ccc(cc1)N(C)C)OCC(C)C)Nc1ccccc1

STK588588
Synonyms: N- (4- chlorophenyl)- 2- {[4- (4- chlorophenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C

STK588589
Synonyms: 10- (furan- 2- yl)- 1,3,7,7- tetramethyl- 5- (4- methylphenyl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Cc1ccc(cc1)c1c2c(=O)n(C)c(=O)n(c2c2n1C(C)(C)COC2c1ccco1)C

STK588591
Synonyms: {2- methoxy- 4- [(4Z)- 4- (5- oxo- 2- phenyl- 1,3- oxazol- 4(5H)- ylidene)- 4H- chromen- 2- yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccc(cc1OC)C1=C/C(=C\2/N=C(OC2=O)c2ccccc2)/c2c(O1)cccc2

STK588593
Synonyms: 1- [(2R)- 2- (2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)- 3- (1H- indol- 3- yl)propanoyl]piperidine- 4- carboxylicacid
Smiles: OC(=O)C1CCN(CC1)C(=O)[C@H](n1c(=O)[nH]c2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2

STK588595
Synonyms: 12- (3,4- dimethoxyphenyl)- 2- (furan- 2- yl)- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: COc1ccc(cc1OC)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)c1ccco1

STK588596
Synonyms: (E)- N- {[8- (4- chlorophenyl)- 11- (furan- 2- yl)- 10- methyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]methoxy}- 1- (4- methoxyphenyl)methanimine
Smiles: COc1ccc(cc1)/C=N/OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccc(cc1)Cl

STK588597
Synonyms: 2- (10- fluoro- 6- oxo- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 7(6H)- yl)- N- (2- phenylethyl)acetamide
Smiles: O=C(Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)F)NCCc1ccccc1

STK588598
Synonyms: ethyl4- (2- chlorophenyl)- 5- cyano- 6- ({2- [(3,4- dichlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 2- hydroxy- 3,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1C(=NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(c(c1)Cl)Cl)O

STK588601
Synonyms: 4- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- (3- phenyl- 1H- pyrazol- 5- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)OCCO2)c1[nH]nc(c1)c1ccccc1

STK588602
Synonyms: 8,8- dimethyl- 5- [(4- methylphenyl)amino]- 3- [(2- oxo- 2- phenylethyl)sulfanyl]- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridine- 6- carbonitrile
Smiles: N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)c3ccccc3)nnc2c2c1CC(C)(C)OC2

STK588603
Synonyms: 2- ({5- [(1S)- 1- amino- 3- (methylsulfanyl)propyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2,5- dimethylphenyl)acetamide
Smiles: CSCC[C@@H](c1nnc(o1)SCC(=O)Nc1cc(C)ccc1C)N

STK588604
Synonyms: 4- (3- nitrophenyl)- 4,10- dihydro[1,3,5]triazino[1,2- a]benzimidazol- 2- amine
Smiles: NC1=NC(c2cccc(c2)[N+](=O)[O-])n2c(=N1)[nH]c1c2cccc1

STK588607
Synonyms: 8- (3,4- dimethylphenyl)- 3- (3- hydroxypropyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(c(c1)C)C

STK588609
Synonyms: 5- (2- fluorophenyl)- 4- {[(E)- (3- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK588611
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- fluorophenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)F)nnc1c1cccc(c1)Cl

STK588613
Synonyms: 1- (4- hydroxy- 3- methoxyphenyl)- 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)cccc1

STK588614
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- methylphenyl)carbonyl]- 2'- [(4- propylphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)C)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK588615
Synonyms: (2E)- 3- (5- chloro- 1- methyl- 1H- imidazol- 2- yl)- 1- (4- hydroxyphenyl)prop- 2- en- 1- one
Smiles: Oc1ccc(cc1)C(=O)/C=C/c1ncc(n1C)Cl

STK588616
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)Cc1cccs1

STK588617
Synonyms: 2- ({6- cyano- 8,8- dimethyl- 5- [(4- methylphenyl)amino]- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl}sulfanyl)- N- (2- nitrophenyl)acetamide
Smiles: N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2c2c1CC(C)(C)OC2

STK588618
Synonyms: 10- (2- hydroxy- 3- methoxyphenyl)- 1,3- dimethyl- 5- (4- methylphenyl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: COc1cccc(c1O)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccc(cc1)C)C

STK588620
Synonyms: 4- {[(E)- (4- ethoxy- 3- methoxyphenyl)methylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1OC)/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC

STK588621
Synonyms: (3a'S,6a'R)- 5'- (butan- 2- yl)- 5- fluoro- 3'- (2- methylpropyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cc(F)cc2)C

STK588622
Synonyms: 5- {4- [(4- chlorobenzyl)oxy]phenyl}- N'- {(E)- [4- (propan- 2- yl)phenyl]methylidene}- 1H- pyrazole- 3- carbohydrazide
Smiles: Clc1ccc(cc1)COc1ccc(cc1)c1[nH]nc(c1)C(=O)N/N=C/c1ccc(cc1)C(C)C

STK588627
Synonyms: (2Z)- 2- cyano- 3- (4- ethoxy- 3- methoxyphenyl)- N- (1,3- thiazol- 2- yl)prop- 2- enamide
Smiles: CCOc1ccc(cc1OC)/C=C(\C(=O)Nc1nccs1)/C#N

STK588629
Synonyms: 5- (morpholin- 4- yl)- 8- propyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidine
Smiles: CCCN1CCc2c(C1)sc1c2c(nc2n1nnn2)N1CCOCC1

STK588630
Synonyms: N- (prop- 2- en- 1- ylcarbamoyl)- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)NCC=C

STK588632
Synonyms: (4E)- 2- (4- bromophenyl)- 4- {[(1,1- dioxidotetrahydrothiophen- 3- yl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)/C(=C/NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2

STK588633
Synonyms: 6- chloro- 4- ethyl- 9- (pyridin- 2- ylmethyl)- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CO1)Cc1ccccn1

STK588634
Synonyms: 3'- (4- ethoxyphenyl)- 6'- hydroxy- 2,4- dimethyl- 8- nitro- 1,2,4,4a- tetrahydro- 2'H,6H- spiro[1,4- oxazino[4,3- a]quinoline- 5,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: CCOc1ccc(cc1)N1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N1C2C(C)OC(C1)C)[N+](=O)[O-])O

STK588635
Synonyms: 7'- {(E)- [1- (2,4- dimethylphenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- t
Smiles: Cc1ccc(c(c1)C)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

STK588636
Synonyms: N- (3,4- dimethoxyphenyl)- 2- {[4- ethyl- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1CC)Cc1cccs1

STK588637
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(2- chlorophenyl)carbonyl]- 3'- (pyridin- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)cccc3)c1ccccn1

STK588639
Synonyms: 7'- {(1E)- 3- [4,6- dihydroxy- 2- oxo- 1- (prop- 2- en- 1- yl)- 1,2- dihydropyrimidin- 5- yl]- 3- oxoprop- 1- en- 1- yl}- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3
Smiles: C=CCn1c(=O)nc(c(c1O)C(=O)/C=C/c1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C)O

STK588642
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(4- fluorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 5- [3- (pentyloxy)phenyl]pyrrolidine- 2,3- dione
Smiles: CCCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK588643
Synonyms: 2- (4- methoxyphenyl)- 5,6- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: COc1ccc(cc1)c1nc2n(n1)c(O)c(c(n2)C)C

STK588644
Synonyms: N- [(2,5- dimethyl- 7- oxo- 3- phenyl- 7H- furo[3,2- g]chromen- 6- yl)acetyl]glycyl- S- benzyl- D- cysteine
Smiles: O=C(N[C@@H](C(=O)O)CSCc1ccccc1)CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1c1ccccc1)C

STK588645
Synonyms: 3- (4- chlorobenzyl)- 8- (2,4- dimethoxyphenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1cc(OC)ccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)Cl

STK588647
Synonyms: 5- bromo- N- (1- imino- 1,3- dihydro- 2H- isoindol- 2- yl)furan- 2- carboxamide
Smiles: Brc1ccc(o1)C(=O)NN1Cc2c(C1=N)cccc2

STK588649
Synonyms: N- (3- hydroxypropyl)- 10- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: OCCCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CC(C)CC2

STK588652
Synonyms: N- [(2E)- 4- (4- fluorophenyl)- 1,3- thiazol- 2(3H)- ylidene]- 2- {[5- (2- methylfuran- 3- yl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}acetamide
Smiles: Fc1ccc(cc1)c1cs/c(=N/C(=O)CSc2nnc(o2)c2ccoc2C)/[nH]1

STK588653
Synonyms: 2- [(2,2- diethoxyethyl)sulfanyl]- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCOC(CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C)OCC

STK588654
Synonyms: 7'- {[(E)- (1- cyclohexyl- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]amino}- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trio
Smiles: O=C1N=C(O)N(C(=O)/C/1=C/Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C)C1CCCCC1

STK588655
Synonyms: (5Z)- 5- (1- hydroxyethylidene)- 1- (2- methylphenyl)- 3- phenyl- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: C/C(=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1C)/O

STK588656
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,5- dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK588657
Synonyms: 8- [(4- benzylpiperidin- 1- yl)methyl]- 7- butyl- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCn1c(CN2CCC(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK588659
Synonyms: 7- (2- chlorobenzyl)- 6- hydroxy- 3- methyl- 8- [4- (3- methylbutyl)piperazin- 1- yl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(CCN1CCN(CC1)c1nc2c(n1Cc1ccccc1Cl)c(O)nc(=O)n2C)C

STK588660
Synonyms: methylN- {[2- (trifluoromethyl)phenyl]carbamoyl}- D- methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccccc1C(F)(F)F

STK588661
Synonyms: 5- (4- chlorophenyl)- 10- (3- hydroxyphenyl)- 1,3,7,7- tetramethyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Clc1ccc(cc1)c1c2c(=O)n(C)c(=O)n(c2c2n1C(C)(C)COC2c1cccc(c1)O)C

STK588662
Synonyms: (4E)- 5- (3- chlorophenyl)- 4- [furan- 2- yl(hydroxy)methylidene]- 1- [5- (methylsulfanyl)- 1,3,4- thiadiazol- 2- yl]pyrrolidine- 2,3- dione
Smiles: CSc1nnc(s1)N1C(c2cccc(c2)Cl)/C(=C(/c2ccco2)\O)/C(=O)C1=O

STK588664
Synonyms: 6- hydroxy- 7- [2- (4- methoxyphenyl)ethyl]- 8- [4- (4- methoxyphenyl)piperazin- 1- yl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: COc1ccc(cc1)CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)c1ccc(cc1)OC

STK588665
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nnc1COc1ccc(cc1)Cl

STK588669
Synonyms: 7- ethyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- [4- (propan- 2- yl)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)C(C)C)c1noc(c1)C

STK588671
Synonyms: 6- hydroxy- 8- [(2E)- 2- (2- hydroxy- 3- methoxybenzylidene)hydrazinyl]- 7- (2- hydroxy- 3- phenoxypropyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: COc1cccc(c1O)/C=N/Nc1nc2c(n1CC(COc1ccccc1)O)c(O)nc(=O)n2C

STK588672
Synonyms: 4- ({(E)- [4- (benzyloxy)- 3- methoxyphenyl]methylidene}amino)- 5- (4- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(ccc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F

STK588674
Synonyms: 1- [2- (4- fluorophenyl)- 8- methyl- 10- phenyl- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl]ethanone
Smiles: Fc1ccc(cc1)c1nn2c(n1)c1c(nc2)OC(=C(C1c1ccccc1)C(=O)C)C

STK588676
Synonyms: (1'R,2'R)- 1'- {[4- (2- methylpropyl)phenyl]carbonyl}- 2'- phenyl- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: CC(Cc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccccc1)C(=O)c1c(C2=O)cccc1)C

STK588677
Synonyms: (5E)- 1- (3,4- dimethylphenyl)- 5- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/NCCCN1CCOCC1)c1ccc(c(c1)C)C

STK588679
Synonyms: (4E)- 1- (5- acetyl- 4- methyl- 1,3- thiazol- 2- yl)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 5- [3- (pentyloxy)phenyl]pyrrolidine- 2,3- dione
Smiles: CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK588680
Synonyms: N- [(2E)- 3- (2- methoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- phenoxyacetamide
Smiles: COc1ccccc1CN1/C(=N\C(=O)COc2ccccc2)/SC2C1CS(=O)(=O)C2

STK588681
Synonyms: 4- imino- 9,10- dimethoxy- 2- (3- nitrophenyl)- 6,7- dihydro- 4H- pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: COc1cc2CCn3c(c2cc1OC)cc(c(c3=N)C#N)c1cccc(c1)[N+](=O)[O-]

STK588682
Synonyms: 6'- chloro- 7'- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: CN1C(=O)N(C)C(=O)C(=Cc2ccc3c(c2Cl)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C1=O

STK588683
Synonyms: ethyl2- [2- (9- methoxy- 6H- indolo[2,3- b]quinoxalin- 6- yl)ethoxy]benzoate
Smiles: CCOC(=O)c1ccccc1OCCn1c2ccc(cc2c2c1nc1ccccc1n2)OC

STK588684
Synonyms: 2- (6- oxo- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 7(6H)- yl)- N- (2- phenylethyl)acetamide
Smiles: O=C(Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2)NCCc1ccccc1

STK588685
Synonyms: 3- (2,6- dichlorobenzyl)- 8- (2- methoxyethyl)- 1,7- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1c(Cl)cccc1Cl

STK588687
Synonyms: 3- [(3a'S,6a'R)- 5- fluoro- 5'- (4- fluorobenzyl)- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2cc(F)cc1

STK588688
Synonyms: (4Z)- 4- [(2,4- dimethylphenyl)imino]- 6- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc(c(c1)C)/N=c/1\nc(N)nc([nH]1)CN1CCN(CC1)c1ccccc1F

STK588689
Synonyms: methylN- [(5,7- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)carbonyl]glycinate
Smiles: COC(=O)CNC(=O)c1nn2c(n1)nc(cc2C)C

STK588690
Synonyms: (3Z)- 1- heptyl- 3- (4- hydroxy- 2- thioxo- 1,3- thiazol- 5(2H)- ylidene)- 1,3- dihydro- 2H- indol- 2- one
Smiles: CCCCCCCN1c2ccccc2/C(=C\2/SC(=S)N=C2O)/C1=O

STK588692
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (phenylcarbonyl)- 2'- {[2- (prop- 2- en- 1- yloxy)phenyl]carbonyl}- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK588693
Synonyms: N- (2- hydroxyethyl)- 10- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: CC1Cc2c(CC1)sc1c2c2nc(nn2cn1)C(=O)NCCO

STK588694
Synonyms: N- (4- bromo- 2- methylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Br)nnc1Cc1cccs1

STK588696
Synonyms: 1- methyl- 8- (4- phenoxyphenyl)- 3- (prop- 2- en- 1- yl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: C=CCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(cc1)Oc1ccccc1

STK588698
Synonyms: 4- {[(E)- (5- methylthiophen- 2- yl)methylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(s1)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK588699
Synonyms: 3,6,6- trimethyl- 2- [(4- methylpiperazin- 1- yl)carbonyl]- 6,7- dihydro- 1- benzofuran- 4(5H)- one
Smiles: CN1CCN(CC1)C(=O)c1oc2c(c1C)C(=O)CC(C2)(C)C

STK588700
Synonyms: 7- chloro- 1- (2,5- dimethoxyphenyl)- 2- (4- methyl- 1,3- thiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1C1N(c2scc(n2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl)OC

STK588701
Synonyms: N- (3,4- difluorophenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CSc1nnc(n1c1ccccc1)c1ccccn1

STK588702
Synonyms: 6- methyl- 9- (pyridin- 3- ylmethyl)- 2,3,9,10- tetrahydro- 8H- cyclopenta[3,4]chromeno[6,7- e][1,3]oxazin- 4(1H)- one
Smiles: O=c1oc2c(C)c3OCN(Cc3cc2c2c1CCC2)Cc1cccnc1

STK588703
Synonyms: 1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- ylN- (tert- butoxycarbonyl)- D- methioninate
Smiles: CSCC[C@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)NC(=O)OC(C)(C)C

STK588704
Synonyms: 6- (4- chlorophenyl)- 7- (4- fluorophenyl)- 10- (methylsulfanyl)- 7,11- dihydro- 6H- chromeno[4,3- d][1,2,4]triazolo[1,5- a]pyrimidine
Smiles: CSc1nn2c(=NC3=C(C2c2ccc(cc2)F)C(Oc2c3cccc2)c2ccc(cc2)Cl)[nH]1

STK588705
Synonyms: N- (3,5- dimethoxyphenyl)- 2- {[5- (2- fluorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cc(NC(=O)CSc2nnc(n2c2ccccc2)c2ccccc2F)cc(c1)OC

STK588708
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,5- dimethylphenyl)acetamide
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1cc(C)ccc1C

STK588710
Synonyms: N- [(2E)- 3- (3- bromophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1c1cccc(c1)Br)CS(=O)(=O)C2

STK588711
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK588713
Synonyms: 6- (furan- 2- yl)- 9- phenyl- 2- (trifluoromethyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccc2)nc(n3)C(F)(F)F)CC(C1)c1ccco1

STK588714
Synonyms: N- (3- chloro- 2- methylphenyl)- 5- hydroxy- 7,7- dimethyl- 2- oxo- 2,3,4,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: O=C1N=C2CC(C)(C)CC(=C2C(C1)C(=O)Nc1cccc(c1C)Cl)O

STK588716
Synonyms: 2- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 6- {[(4- methylphenyl)sulfanyl]methyl}pyrimidin- 4- ol
Smiles: Oc1cc(CSc2ccc(cc2)C)nc(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK588717
Synonyms: 2- [(3a'S,6a'R)- 5- bromo- 5'- tert- butyl- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cc(Br)cc1

STK588720
Synonyms: 8- [(2,5- dibromophenyl)sulfonyl]- 7- methyl- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: Brc1ccc(c(c1)S(=O)(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1)Br

STK588721
Synonyms: N'- [(E)- (4- ethoxy- 3- methoxyphenyl)methylidene]- 5- methoxy- 1H- indole- 2- carbohydrazide
Smiles: CCOc1ccc(cc1OC)/C=N/NC(=O)c1cc2c([nH]1)ccc(c2)OC

STK588722
Synonyms: 9- (2- chlorophenyl)- 6- phenyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccc2Cl)ncn3)CC(C1)c1ccccc1

STK588724
Synonyms: 3- [(5- tert- butyl- 2- methyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- yl)sulfanyl]pentane- 2,4- dione
Smiles: CC(=O)C(C(=O)C)Sc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C

STK588725
Synonyms: 5- (4- ethoxyphenyl)- 4- {[(E)- (2,3,4- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1OC)OC)OC

STK588726
Synonyms: 4- (4- chlorophenyl)- 3- (3- methoxyphenyl)- 5- [(4- methylbenzyl)sulfanyl]- 4H- 1,2,4- triazole
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCc1ccc(cc1)C

STK588730
Synonyms: (E)- {1- [3- (dimethylammonio)propyl]- 2- (4- ethylphenyl)- 4,5- dioxopyrrolidin- 3- ylidene}[4- (propan- 2- yloxy)phenyl]methanolate
Smiles: CCc1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/[O-]

STK588732
Synonyms: 1- [1- (3- chlorophenyl)but- 3- en- 1- yl]- 1- [3- (morpholin- 4- yl)propyl]- 3- phenylurea
Smiles: C=CCC(N(C(=O)Nc1ccccc1)CCCN1CCOCC1)c1cccc(c1)Cl

STK588734
Synonyms: 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Cn1nnc2c(c1=O)cccc2)Nc1cccc(c1)C(F)(F)F

STK588735
Synonyms: 2- ({(E)- [2- (2,4- dimethylphenyl)- 1,3- dioxo- 2,3- dihydroisoquinolin- 4(1H)- ylidene]methyl}amino)benzoicacid
Smiles: Cc1ccc(c(c1)C)N1C(=O)/C(=C/Nc2ccccc2C(=O)O)/c2c(C1=O)cccc2

STK588736
Synonyms: (4E)- 1- (6- fluoro- 1,3- benzothiazol- 2- yl)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 5- [3- (pentyloxy)phenyl]pyrrolidine- 2,3- dione
Smiles: CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F

STK588737
Synonyms: 3- (4- chlorophenyl)- 2- [(2- methoxyethyl)amino]- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COCCNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCN(C3)C

STK588739
Synonyms: 7- benzyl- 1,3- dimethyl- 8- [(4- methylpiperidin- 1- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

STK588740
Synonyms: 2- {11- [4- (dimethylamino)phenyl]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl}phenol
Smiles: CN(c1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccc1O)c1ccccc1)C

STK588741
Synonyms: N- [2- (dimethylamino)ethyl]- 10- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: CN(CCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CC(C)CC2)C

STK588742
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,5- dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK588743
Synonyms: N'- {(E)- [4- hydroxy- 1- (naphthalen- 1- yl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}pyridine- 4- carbohydrazide
Smiles: O=C1N=C(O)/C(=C\NNC(=O)c2ccncc2)/C(=O)N1c1cccc2c1cccc2

STK588745
Synonyms: 3- {[4- (3- bromophenyl)- 1,3- thiazol- 2- yl]amino}- 6,7- dimethoxy- 2- benzofuran- 1(3H)- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1scc(n1)c1cccc(c1)Br

STK588746
Synonyms: N- {4- [(3E)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 2- (3- nitrophenyl)- 4,5- dioxopyrrolidin- 1- yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1cccc(c1)[N+](=O)[O-]

STK588747
Synonyms: 3- (1,3- benzodioxol- 5- ylmethyl)- 6'- hydroxy- 8- nitro- 3'- (prop- 2- en- 1- yl)- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: C=CCN1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2)[N+](=O)[O-])O

STK588750
Synonyms: N,N- dimethyl- 4- [10- methyl- 8- phenyl- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]aniline
Smiles: Cc1nn(c2c1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)c1ccc(cc1)N(C)C)c1ccccc1

STK588751
Synonyms: 4- chloro- N- [(3Z)- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzenesulfonamide
Smiles: CC(Cn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)Cl)/c2c1nc1ccccc1c2)C

STK588753
Synonyms: ethyl[(2- methyl- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidin- 7- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CCCC3

STK588754
Synonyms: N- [4- chloro- 3- (trifluoromethyl)phenyl]- 3- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)propanamide
Smiles: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CCn1nnc2c(c1=O)cccc2

STK588756
Synonyms: 2- [4- (4- methylphenyl)- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4H- 1,2,4- triazol- 3- yl]pyridine
Smiles: Cc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nnc1c1ccccn1

STK588757
Synonyms: (3S)- N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)Nc1ccc2c(c1)OCCO2

STK588758
Synonyms: N- (pyridin- 2- ylmethyl)- 2,3- dihydro- 1H- cyclopenta[b]quinoline- 9- carboxamide
Smiles: O=C(c1c2CCCc2nc2c1cccc2)NCc1ccccn1

STK588761
Synonyms: 4- {[(1E,2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]amino}- 5- [3- (propan- 2- yloxy)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/C=C/c1ccco1)C

STK588762
Synonyms: 5,7- dichloro- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (4- nitrophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)c1c(o2)c(Cl)cc(c1)Cl

STK588765
Synonyms: 2- {[5- (2- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1c1ccc(cc1)C)c1ccccc1Cl

STK588766
Synonyms: 4- hydroxy- 6- {[(4- methylphenyl)sulfanyl]methyl}- 2- phenyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: Cc1ccc(cc1)SCc1cc(O)c2c(n1)[nH]n(c2=O)c1ccccc1

STK588768
Synonyms: (3S,3a'R,8a'S,8b'S)- 7- chloro- 2'- (2,4- dichlorophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2Cl

STK588769
Synonyms: N- (4- ethylphenyl)- 2- {[5- (3- methoxyphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)c1cccc(c1)OC

STK588770
Synonyms: N- [(2Z)- 3- [2- (3,4- dimethoxyphenyl)ethyl]- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: COc1cc(CCN2/C(=N/C(=O)C)/SC3C2CS(=O)(=O)C3)ccc1OC

STK588771
Synonyms: 2- {[7,7- dimethyl- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- 1- phenylethanone
Smiles: Cc1cccc(c1)c1nc(SCC(=O)c2ccccc2)c2c(n1)CC(OC2)(C)C

STK588774
Synonyms: N- (3- chloro- 4- fluorophenyl)- 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK588775
Synonyms: 2- {[2,2- dimethyl- 5- (propan- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl](ethyl)amino}ethanol
Smiles: OCCN(c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C)CC

STK588776
Synonyms: 2- [(3- bromobenzyl)amino]- 5,6- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Brc1cccc(c1)CNc1nc2n(n1)c(O)c(c(n2)C)C

STK588777
Synonyms: 1- (2,5- dimethoxyphenyl)- 2- [6- (propan- 2- yl)- 1,3- benzothiazol- 2- yl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(c(c1)C1N(c2nc3c(s2)cc(cc3)C(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1)OC

STK588781
Synonyms: methylN- [(2,4- dimethoxyphenyl)carbamoyl]- D- methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccc(cc1OC)OC

STK588782
Synonyms: (8S,8aR,11aS)- N- (1,3- benzodioxol- 5- yl)- 10- (4- methylphenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2ccc3c(c2)OCO3)C=Cc2c1cccc2

STK588783
Synonyms: methylN- [(3,4- dichlorophenyl)carbamoyl]- D- alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1ccc(c(c1)Cl)Cl)C

STK588786
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- {[5- (3- chlorophenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1c1cccc(c1)Cl

STK588787
Synonyms: (2Z)- 2- (2- chloro- 6- fluorobenzylidene)- 6- (2- oxopropoxy)- 1- benzofuran- 3(2H)- one
Smiles: CC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)/C2=O

STK588788
Synonyms: N- (2- methylphenyl)- 2- [(11- methyl- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidin- 7- yl)sulfanyl]acetamide
Smiles: CC1CCc2c(C1)sc1c2c2ncnn2c2n1c(SCC(=O)Nc1ccccc1C)nn2

STK588789
Synonyms: 2- amino- 4- (3- bromophenyl)- 5- hydroxy- 7- methyl- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)Br)c(O)nc(c2)C

STK588791
Synonyms: 2- ({[(3,4,8- trimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetyl}amino)benzamide
Smiles: O=C(Nc1ccccc1C(=O)N)COc1ccc2c(c1C)oc(=O)c(c2C)C

STK588792
Synonyms: 4- ({(E)- [4- (methylsulfanyl)phenyl]methylidene}amino)- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)SC

STK588793
Synonyms: 3- (4- chlorophenyl)- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- ol
Smiles: Clc1ccc(cc1)c1cnn2c1nc1CCCCc1c2O

STK588794
Synonyms: 1- (2- bromophenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: O=C(c1ccccc1Br)CSc1nnc(n1c1ccccc1)c1ccccn1

STK588795
Synonyms: (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)(2- fluorophenyl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1ccccc1F

STK588796
Synonyms: N- [4- (diethylamino)phenyl]- 2- {[4- (prop- 2- en- 1- yl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)N(CC)CC)nnc1Cc1cccs1

STK588797
Synonyms: 3- (2- oxo- 2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}ethyl)quinazolin- 4(3H)- one
Smiles: O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)Cn1cnc2c(c1=O)cccc2

STK588798
Synonyms: 3- (3,5- dimethylphenyl)- 10- methyl- 2- pentylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCCCCc1nc2c(c(=O)n1c1cc(C)cc(c1)C)c(=O)c1c(n2C)cccc1

STK588799
Synonyms: 7- (3- chlorobenzyl)- 6- hydroxy- 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1Cc1cccc(c1)Cl)c(O)nc(=O)n2C

STK588802
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK588804
Synonyms: 3- (3- tert- butyl- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)- N- (tetrahydrofuran- 2- ylmethyl)propanamide
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)NCC1CCCO1

STK588806
Synonyms: ethyl4- [(5- chloro- 1H- indol- 2- yl)carbonyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl

STK588808
Synonyms: (5Z)- 5- [4- (dimethylamino)benzylidene]- 2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccc(cc1)N(C)C)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK588809
Synonyms: 7'- {(E)- [1- (3,5- dimethylphenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- t
Smiles: Cc1cc(C)cc(c1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

STK588810
Synonyms: 2- (6- chloro- 7- methoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- [3- (2- oxopyrrolidin- 1- yl)propyl]acetamide
Smiles: COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)NCCCN1CCCC1=O

STK588811
Synonyms: 5- {4- [(4- methylbenzyl)oxy]phenyl}- N'- {(E)- [4- (propan- 2- yl)phenyl]methylidene}- 1H- pyrazole- 3- carbohydrazide
Smiles: Cc1ccc(cc1)COc1ccc(cc1)c1[nH]nc(c1)C(=O)N/N=C/c1ccc(cc1)C(C)C

STK588818
Synonyms: 2- (5- methoxy- 4,7- dimethyl- 2- oxo- 2H- chromen- 3- yl)- N- (2- methoxyethyl)acetamide
Smiles: COCCNC(=O)Cc1c(=O)oc2c(c1C)c(OC)cc(c2)C

STK588819
Synonyms: 6- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 2- [4- (3- methoxyphenyl)piperazin- 1- yl]pyrimidin- 4- ol
Smiles: COc1cccc(c1)N1CCN(CC1)c1nc(O)cc(n1)CSc1nc2c(s1)cccc2

STK588820
Synonyms: N,N- diethyl- N'- (5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]furo[2,3- c]isoquinolin- 8- yl)ethane- 1,2- diamine
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCCN(CC)CC

STK588821
Synonyms: (1'S,3R,3'S,7a'S)- 5''- chloro- 7''- methyl- 1'- [(3- propoxyphenyl)carbonyl]- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: CCCOc1cccc(c1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1C

STK588822
Synonyms: 3- ethyl- 8- ({(Z)- [4- hydroxy- 2,6- dioxo- 1- (propan- 2- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}amino)- 1',3'- dimethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4'
Smiles: CCN1CCN2C(C1)C1(Cc3c2ccc(c3)N/C=C\2/C(=NC(=O)N(C2=O)C(C)C)O)C(=O)N(C)C(=O)N(C1=O)C

STK588823
Synonyms: methyl[8- (2,4- dimethoxyphenyl)- 1- methyl- 2,4- dioxo- 1,2,4,6,7,8- hexahydro- 3H- imidazo[2,1- f]purin- 3- yl]acetate
Smiles: COC(=O)Cn1c(=O)c2n3CCN(c3nc2n(c1=O)C)c1ccc(cc1OC)OC

STK588824
Synonyms: 4- hydroxy- 1- methyl- 8- (3- methylphenyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purin- 2(6H)- one
Smiles: Cc1cccc(c1)N1CCn2c1nc1c2c(O)nc(=O)n1C

STK588825
Synonyms: 10- (4- hydroxyphenyl)- 1,3,7,7- tetramethyl- 5- (3- nitrophenyl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Oc1ccc(cc1)C1OCC(n2c1c1n(C)c(=O)n(c(=O)c1c2c1cccc(c1)[N+](=O)[O-])C)(C)C

STK588826
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- methoxyphenyl)carbonyl]- 2'- {[3- (prop- 2- en- 1- yloxy)phenyl]carbonyl}- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: C=CCOc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK588827
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- (3- nitrophenyl)- 6- [3- (trifluoromethyl)phenyl]- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1cccc(c1)[N+](=O)[O-]

STK588828
Synonyms: 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1COc1ccccc1

STK588829
Synonyms: 3- (2- chlorobenzyl)- 1- methyl- 8- (2- methylphenyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Clc1ccccc1Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccccc1C

STK588830
Synonyms: N- [(2Z)- 3- benzyl- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclopropanecarboxamide
Smiles: O=C(C1CC1)/N=C/1\SC2C(N1Cc1ccccc1)CS(=O)(=O)C2

STK588831
Synonyms: methylN- {[4- (acetylamino)phenyl]carbamoyl}- L- alaninate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(cc1)NC(=O)C)C

STK588832
Synonyms: 6- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 4- hydroxy- 2- phenyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: Oc1cc(CSc2nc3c(s2)cccc3)nc2c1c(=O)n([nH]2)c1ccccc1

STK588835
Synonyms: 3- (4- chlorophenyl)- 5- [(2E)- 3- (2,4- dimethoxyphenyl)prop- 2- enoyl]- 2,6- dihydroxypyrimidin- 4(3H)- one
Smiles: COc1cc(OC)ccc1/C=C/C(=O)c1c(O)nc(n(c1=O)c1ccc(cc1)Cl)O

STK588836
Synonyms: (5Z)- 5- [(5- bromothiophen- 2- yl)methylidene]- 3- (2- fluorobenzyl)- 2- hydroxy- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Brc1ccc(s1)/C=C/1\N=C(N(C1=O)Cc1ccccc1F)O

STK588837
Synonyms: N- [(2Z)- 1,3- benzothiazol- 2(3H)- ylidene]- 5- (propan- 2- yl)- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: CC(N1CNC(=NC1)/N=c/1\sc2c([nH]1)cccc2)C

STK588838
Synonyms: (4E)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 1,5- diphenylpyrrolidine- 2,3- dione
Smiles: Clc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1ccccc1)/O

STK588839
Synonyms: 4- [(2- ethoxyethyl)sulfanyl]- 2- (3- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: CCOCCSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)OC

STK588840
Synonyms: 2- (furan- 2- yl)- 3- (3- methoxypropyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COCCCn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccco1

STK588841
Synonyms: N- {1- [2- (2- methoxyphenyl)ethyl]- 5- oxo- 2- phenyl- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl}acetamide
Smiles: COc1ccccc1CCN1C(=NC(C1=O)(NC(=O)C)C(F)(F)F)c1ccccc1

STK588842
Synonyms: 3- [(3a'S,6a'R)- 6- chloro- 5'- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 7- methyl- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)C(=O)Nc1c2ccc(c1C)Cl

STK588844
Synonyms: N- (naphthalen- 1- yl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1c1ccccc1)c1ccccn1

STK588845
Synonyms: 2- (2- chlorobenzyl)- 1- (3,4- dimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1OC)C1N(Cc2ccccc2Cl)C(=O)c2c1c(=O)c1c(o2)cccc1

STK588846
Synonyms: 8- (3- chlorophenyl)- 2- (3,4- dimethoxybenzyl)- 10- methyl- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1cc(ccc1OC)Cc1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1cccc(c1)Cl

STK588849
Synonyms: 1,3- dimethyl- 8- [(4- methylpiperazin- 1- yl)methyl]- 7- (2- methylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(Cn1c(CN2CCN(CC2)C)nc2c1c(=O)n(c(=O)n2C)C)C

STK588850
Synonyms: 4- [({4- (4- methoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)methyl]benzonitrile
Smiles: COc1ccc(cc1)n1c(nnc1COc1ccc(cc1)C)SCc1ccc(cc1)C#N

STK588852
Synonyms: 3- [(4- chlorophenoxy)methyl]- 5- [(4- fluorobenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(COc2ccc(cc2)Cl)nnc1SCc1ccc(cc1)F

STK588854
Synonyms: 4- {[(E)- naphthalen- 1- ylmethylidene]amino}- 5- [3- (propan- 2- yloxy)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc2c1cccc2)C

STK588855
Synonyms: 3- (2- chlorophenyl)- 5- [(2- methylbenzyl)sulfanyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(SCc2ccccc2C)nnc1c1ccccc1Cl

STK588856
Synonyms: propyl[(4- chlorophenyl)(phenylamino)methyl][4- (dimethylamino)phenyl]phosphinate
Smiles: CCCOP(=O)(C(c1ccc(cc1)Cl)Nc1ccccc1)c1ccc(cc1)N(C)C

STK588859
Synonyms: N- (3,4- dimethoxyphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)OC)OC)nnc1Cc1cccs1

STK588860
Synonyms: 3- (3- chlorophenyl)- 2- (diethylamino)- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCN(c1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C)CC

STK588862
Synonyms: N- [(2Z)- 3- (3- methoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- phenoxyacetamide
Smiles: COc1cccc(c1)N1/C(=N/C(=O)COc2ccccc2)/SC2C1CS(=O)(=O)C2

STK588864
Synonyms: (4E)- 4- [(1- {2- hydroxy- 3- [(2- methoxyphenyl)amino]propyl}- 1H- indol- 3- yl)methylidene]- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccccc1NCC(Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccccc1)C)O

STK588866
Synonyms: 2- chloro- N- [4- (4- methoxyphenyl)- 6- methyl- 2- (4- methylphenyl)- 5- oxo- 2,5- dihydropyridazin- 3- yl]benzamide
Smiles: COc1ccc(cc1)c1c(NC(=O)c2ccccc2Cl)n(nc(c1=O)C)c1ccc(cc1)C

STK588871
Synonyms: {4- [7- (2,6- dimethylphenyl)- 6,8- dioxo- 1- oxa- 2,7- diazaspiro[4.4]non- 2- en- 3- yl]- 2- methoxyphenoxy}acetonitrile
Smiles: N#CCOc1ccc(cc1OC)C1=NOC2(C1)CC(=O)N(C2=O)c1c(C)cccc1C

STK588873
Synonyms: 5- methyl- 2- (pyridin- 3- yl)[1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: Cc1cc(=O)n2c(n1)[nH]c(n2)c1cccnc1

STK588874
Synonyms: N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 4- [(4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)methyl]cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)/N=c\1/sc2c([nH]1)cccc2

STK588875
Synonyms: 8- ethoxy- N- (2- methoxyethyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: COCCNc1ncnc2c1[nH]c1c2cc(cc1)OCC

STK588876
Synonyms: 6,7- dimethyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (3,4,5- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1c(OC)cc(cc1OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)C)C

STK588877
Synonyms: N- [5- (acetylamino)- 2- methoxyphenyl]- 2- {[4- (furan- 2- ylmethyl)- 5- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1Cc1ccco1)c1ccccc1)NC(=O)C

STK588880
Synonyms: (1'R,2'S)- 2'- (2- fluorophenyl)- 1'- [(4- fluorophenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccccc1F)C(=O)c1c(C2=O)cccc1

STK588881
Synonyms: 2- ({5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(s1)SCc1ccc(cc1)Cl

STK588882
Synonyms: 9- (5- methyl- 1,2- oxazol- 3- yl)- 8- [3- (propan- 2- yloxy)phenyl]- 8,9- dihydrobenzo[7,8]chromeno[2,3- c]pyrrole- 7,10- dione
Smiles: CC(Oc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c2ccccc2cc1)C

STK588884
Synonyms: 4- {[(E)- furan- 2- ylmethylidene]amino}- 5- (2- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccco1

STK588886
Synonyms: (5Z)- 3- benzyl- 6- hydroxy- 5- {[1- (2- hydroxyphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C/c2cc(n(c2C)c2ccccc2O)C)/C(=O)N1Cc1ccccc1

STK588887
Synonyms: ethyl4- [3- (4- fluorobenzyl)- 1- methyl- 2,4- dioxo- 1,2,3,4,6,7- hexahydro- 8H- imidazo[2,1- f]purin- 8- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)F

STK588888
Synonyms: 3- {(Z)- [3- (furan- 2- ylmethyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 9- methyl- 2- (4- phenylpiperazin- 1- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)/C(=O)N1Cc1ccco1

STK588889
Synonyms: 2- ethyl- 3- [2- (4- methoxyphenyl)ethyl]- 10- methylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCc1nc2c(c(=O)n1CCc1ccc(cc1)OC)c(=O)c1c(n2C)cccc1

STK588890
Synonyms: (1S)- 1- [5- (benzylsulfonyl)- 1,3,4- oxadiazol- 2- yl]- 2- phenylethanamine
Smiles: N[C@H](c1nnc(o1)S(=O)(=O)Cc1ccccc1)Cc1ccccc1

STK588892
Synonyms: 4- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- (3,4- dimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1OC)c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2

STK588893
Synonyms: 3- [(2,6- dichlorobenzyl)sulfanyl]- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 4- amine
Smiles: Fc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCc1c(Cl)cccc1Cl

STK588896
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- ethyl- 6- methylphenyl)acetamide
Smiles: CCc1cccc(c1NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl)C

STK588898
Synonyms: 4- amino- 7'- methyl- 2'- oxo- 1',2',6,7- tetrahydrospiro[1,3- dioxolo[4,5- g]pyrido[2,1- a]isoquinoline- 2,3'- indole]- 3- carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cccc1C)cc1c(c3)OCO1

STK588899
Synonyms: 6- methyl- 2- [(2- methylphenyl)amino]- 5- pentylpyrimidin- 4- ol
Smiles: CCCCCc1c(C)nc(nc1O)Nc1ccccc1C

STK588900
Synonyms: 3- (3- tert- butyl- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)- N- (pyridin- 3- ylmethyl)propanamide
Smiles: O=C(NCc1cccnc1)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C

STK588901
Synonyms: (2E)- 5- (2- nitrobenzyl)- 2- [(2E)- (3- nitrobenzylidene)hydrazinylidene]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: OC1=N/C(=N\N=C\c2cccc(c2)[N+](=O)[O-])/SC1Cc1ccccc1[N+](=O)[O-]

STK588902
Synonyms: (2Z)- 7- {[benzyl(methyl)ammonio]methyl}- 2- (4- nitrobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)[N+](=O)[O-])/C2=O)Cc1ccccc1

STK588903
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK588904
Synonyms: 5- (2- chlorophenyl)- 4- ({(E)- [4- (trifluoromethyl)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(F)(F)F

STK588906
Synonyms: (1S,2S)- N'- {(E)- [1- (2- chlorobenzyl)- 1H- indol- 3- yl]methylidene}- 2- phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1cn(c2c1cccc2)Cc1ccccc1Cl

STK588907
Synonyms: 2- (2- chlorophenyl)- 3- (furan- 2- ylmethyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: Clc1ccccc1c1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1

STK588908
Synonyms: 5- (3- ethoxyphenyl)- 4- {[(E)- (5- methylthiophen- 2- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(s1)C

STK588909
Synonyms: N- (3- hydroxypropyl)- 2- [(3- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 1- yl)oxy]acetamide
Smiles: OCCCNC(=O)COc1cc(C)cc2c1c1CCCCc1c(=O)o2

STK588911
Synonyms: N- (3,5- dichlorophenyl)- 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)cc(c2)Cl)nnc1COc1ccc(cc1)C

STK588912
Synonyms: 5- {[(2Z)- 3- (3- chloro- 4- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1ccc(c(c1)Cl)F)CS(=O)(=O)C2

STK588913
Synonyms: (5E)- 1- (4- chlorophenyl)- 5- ({[2- (morpholin- 4- yl)ethyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCN2CCOCC2)/C1=O)S

STK588914
Synonyms: 3- [(3- chlorobenzyl)sulfanyl]- 4- (4- chlorophenyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazole
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCc1cccc(c1)Cl

STK588915
Synonyms: 5- (3- ethoxyphenyl)- 4- ({(E)- [4- (propan- 2- yl)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)C

STK588916
Synonyms: (4E)- 1- hexadecyl- 4- [hydroxy(4- methylphenyl)methylidene]- 5- phenylpyrrolidine- 2,3- dione
Smiles: CCCCCCCCCCCCCCCCN1C(c2ccccc2)/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=O

STK588917
Synonyms: 2- [(4- chlorobenzyl)amino]- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: Clc1ccc(cc1)CNc1nn2c([nH]1)nc(cc2=O)C

STK588918
Synonyms: N- (3- carbamoyl- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 3- chloro- 7- nitro- 1- benzothiophene- 2- carboxamide
Smiles: O=C(c1sc2c(c1Cl)cccc2[N+](=O)[O-])Nc1sc2c(c1C(=O)N)CCC2

STK588919
Synonyms: 4- {(2E)- 2- [(8- hydroxy- 2,3,6,7- tetrahydro- 1H,5H- pyrido[3,2,1- ij]quinolin- 9- yl)methylidene]hydrazinyl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/c1cc2CCCN3c2c(c1O)CCC3

STK588920
Synonyms: 3- [(2- methyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)ammonio]benzoate
Smiles: Cc1nc([NH2+]c2cccc(c2)C(=O)[O-])c2c(n1)c1ccccc1o2

STK588921
Synonyms: 2- amino- 6- phenyl- 4- (2,3,4- trimethoxyphenyl)- 4H- pyran- 3,5- dicarbonitrile
Smiles: N#CC1=C(N)OC(=C(C1c1ccc(c(c1OC)OC)OC)C#N)c1ccccc1

STK588923
Synonyms: 4- [(1Z)- 2- cyano- 3- methoxy- 3- oxoprop- 1- en- 1- yl]- 2- methoxyphenyl3,4,5- trimethoxybenzoate
Smiles: COC(=O)/C(=C\c1ccc(c(c1)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC)/C#N

STK588924
Synonyms: 5- (2- hydroxy- 5- methylphenyl)- N- (4- methylbenzyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(cc1)CNC(=O)c1n[nH]c(c1)c1cc(C)ccc1O

STK588927
Synonyms: 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N,N- diethylacetamide
Smiles: CCOc1ccc(cc1)n1c(COc2ccc(cc2)C)nnc1SCC(=O)N(CC)CC

STK588929
Synonyms: N- (2,4- dimethylphenyl)- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline- 8(7H)- carbothioamide
Smiles: Cc1ccc(c(c1)C)NC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1

STK588931
Synonyms: 8- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK588932
Synonyms: (4Z)- 4- (2,3- dihydro- 1,4- benzodioxin- 6- ylimino)- 6- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Nc1nc(CN2CCN(CC2)c2ccccc2F)[nH]/c(=N/c2ccc3c(c2)OCCO3)/n1

STK588934
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 2,2- dimethyl- 5- (propan- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: COc1cc(CCNc2ncnc3c2oc2c3c3CC(C)(C)OCc3c(n2)C(C)C)ccc1OC

STK588935
Synonyms: (5E)- 5- ({[3- (dimethylamino)propyl]amino}methylidene)- 6- hydroxy- 3- [4- (propan- 2- yl)phenyl]pyrimidine- 2,4(3H,5H)- dione
Smiles: CN(CCCN/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)C(C)C)O)C

STK588937
Synonyms: N- (3- bromophenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)Br)nnc1COc1ccc(cc1)C

STK588941
Synonyms: (5Z)- 5- [5- (1,3- benzodioxol- 5- yl)pyrazolidin- 3- ylidene]- 3- (4- chlorophenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C\2/NNC(C2)c2ccc3c(c2)OCO3)/C1=O)O

STK588942
Synonyms: 3- (3- tert- butyl- 5,9- dimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)- N- (3- methoxypropyl)propanamide
Smiles: COCCCNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C

STK588943
Synonyms: 3- (furan- 2- yl)- 12- (pyridin- 3- yl)- 2,3,4,12- tetrahydrobenzimidazo[2,1- b]quinazolin- 1- ol
Smiles: OC1=C2C(=Nc3n(C2c2cccnc2)c2ccccc2n3)CC(C1)c1ccco1

STK588945
Synonyms: 4- {[4- (2- methoxyphenyl)piperazin- 1- ium- 1- yl]methyl}- 2- oxo- 2H- chromen- 6- olate
Smiles: COc1ccccc1N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc([O-])cc2

STK588947
Synonyms: 6- (2- hydroxyphenyl)- 9- (3- methoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1cccc(c1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1O

STK588948
Synonyms: (3- chloro- 1- benzothiophen- 2- yl)(6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1sc2c(c1Cl)cccc2

STK588949
Synonyms: 4- ({4- chloro- N- [3- (3,5,9- trimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]phenylalanyl}amino)butanoicacid
Smiles: O=C(NC(C(=O)NCCCC(=O)O)Cc1ccc(cc1)Cl)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C

STK588950
Synonyms: 5- [(2E)- 3- (1,3- benzodioxol- 5- yl)prop- 2- enoyl]- 3- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2,6- dihydroxypyrimidin- 4(3H)- one
Smiles: O=C(c1c(O)nc(n(c1=O)CCC1=CCCCC1)O)/C=C/c1ccc2c(c1)OCO2

STK588952
Synonyms: 3- (3- chlorophenyl)- 5- [(2,6- dichlorobenzyl)sulfanyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazole
Smiles: C=CCn1c(nnc1c1cccc(c1)Cl)SCc1c(Cl)cccc1Cl

STK588953
Synonyms: 4- {[(E)- (5- bromothiophen- 2- yl)methylidene]amino}- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(s1)Br

STK588955
Synonyms: 5- (3- methoxyphenyl)- 4- {[(E)- (5- methylthiophen- 2- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(s1)C

STK588956
Synonyms: 6- amino- 3- (3- ethoxyphenyl)- 4- (thiophen- 2- yl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCOc1cccc(c1)c1[nH]nc2c1C(c1cccs1)C(=C(O2)N)C#N

STK588957
Synonyms: N- (2- bromo- 4- methylphenyl)- 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Br)C)nnc1c1ccccc1F

STK588958
Synonyms: 2,2- dimethyl- 5- (2- methylpropyl)- N- [3- (morpholin- 4- yl)propyl]- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: CC(Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCCCN1CCOCC1)C

STK588960
Synonyms: (4E)- 5- (3,4- dichlorophenyl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- (1,3- thiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nccs1)c1ccc(c(c1)Cl)Cl

STK588962
Synonyms: 1- {[3- (2,4- dichlorophenyl)- 4,5- dihydro- 1,2- oxazol- 5- yl]methyl}- 3,7- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NOC(C1)Cn1c(=O)c2n(C)cnc2n(c1=O)C

STK588963
Synonyms: 2- (9- fluoro- 5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)- N- (3- methoxypropyl)acetamide
Smiles: COCCCNC(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCSc1n2)F

STK588964
Synonyms: (E)- {1- [4- (dimethylammonio)phenyl]- 2- (3- nitrophenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(phenyl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[NH+](C)C)/c1ccccc1

STK588966
Synonyms: (4Z)- 2- (5- chloro- 2- methoxyphenyl)- 4- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1ccc(cc1N1C(=O)/C(=C\NCCCN2CCOCC2)/c2c(C1=O)cccc2)Cl

STK588967
Synonyms: (4E)- 2- (2,5- dimethylphenyl)- 4- ({[(1- ethylpyrrolidin- 2- yl)methyl]amino}methylidene)isoquinoline- 1,3(2H,4H)- dione
Smiles: CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(C)ccc1C

STK588969
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 3- methyl- 8- {[3- (propan- 2- yloxy)propyl]amino}- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(NCCCOC(C)C)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)C

STK588970
Synonyms: N- [2- (diethylamino)ethyl]- 5,10- dimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: CCN(CCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)CC2)CC

STK588971
Synonyms: N- (2- ethyl- 6- methylphenyl)- 2- {[5- (3- methylphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCc1cccc(c1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)C)C

STK588974
Synonyms: 2- (4- chlorophenyl)- 3- [6- (2,3- dichlorophenoxy)hexyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1cccc(c1Cl)Cl

STK588975
Synonyms: 4- (1,3- benzodioxol- 5- yl)- 3,4,5,6- tetrahydrobenzo[h]quinazoline- 2- thiol
Smiles: SC1=NC2=C(C(N1)c1ccc3c(c1)OCO3)CCc1c2cccc1

STK588976
Synonyms: (3S,3a'S,6a'R)- 5'- (naphthalen- 1- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: O=C1N(c2cccc3c2cccc3)C(=O)[C@@H]2[C@H]1CN[C@]12C(=O)Nc2c1cccc2

STK588979
Synonyms: 8- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C

STK588980
Synonyms: 8- (4- benzylpiperidin- 1- yl)- 6- hydroxy- 3- methyl- 7- (4- methylbenzyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1ccc(cc1)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1

STK588981
Synonyms: 9- (3,5- dichlorophenyl)- 6- methyl- 2,3,9,10- tetrahydro- 8H- cyclopenta[3,4]chromeno[6,7- e][1,3]oxazin- 4(1H)- one
Smiles: Clc1cc(Cl)cc(c1)N1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2

STK588982
Synonyms: (E)- {2- (4- bromophenyl)- 1- [4- (dimethylammonio)phenyl]- 4,5- dioxopyrrolidin- 3- ylidene}(phenyl)methanolate
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1ccc(cc1)[NH+](C)C

STK588983
Synonyms: (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)(5- nitrothiophen- 2- yl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccc(s1)[N+](=O)[O-]

STK588987
Synonyms: 3- [(Z)- (4- oxo- 3- propyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 2- (4- phenylpiperazin- 1- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2)/C1=O

STK588988
Synonyms: 3- (2,4- dimethoxyphenyl)- 3,4,8,9- tetrahydro- 2H- cyclopenta[3,4]chromeno[8,7- e][1,3]oxazin- 6(7H)- one
Smiles: COc1cc(OC)ccc1N1COc2c(C1)c1oc(=O)c3c(c1cc2)CCC3

STK588989
Synonyms: 1- (3- fluorophenyl)- 2- (6- methylpyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1cccc(c1)C1N(c2cccc(n2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK588991
Synonyms: 3- chloro- N- [(2Z)- 3- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: Clc1cccc(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1c(=O)n(n(c1C)C)c1ccccc1

STK588992
Synonyms: 8- {[4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]methyl}- 7- (3- hydroxypropyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK588996
Synonyms: 2- {[5- (5- aminopentyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}- 1- (4- chlorophenyl)ethanone
Smiles: NCCCCCc1nnc(o1)SCC(=O)c1ccc(cc1)Cl

STK588997
Synonyms: 10a- [(E)- 2- {4- [(3- chlorobenzyl)oxy]- 3- methoxyphenyl}ethenyl]- 8,10,10- trimethyl- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: COc1cc(ccc1OCc1cccc(c1)Cl)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cc(cc1)C

STK588998
Synonyms: N- (3- fluoro- 4- methylphenyl)- 2- {[5- (4- fluorophenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1c1ccc(cc1)F

STK588999
Synonyms: 2- {[4- (furan- 2- ylmethyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C)C

STK589000
Synonyms: 2- [(2,4- dichlorophenyl)amino]- 6- methyl- 5- pentylpyrimidin- 4- ol
Smiles: CCCCCc1c(C)nc(nc1O)Nc1ccc(cc1Cl)Cl

STK589002
Synonyms: 1- tert- butyl4- (4- methyl- 2- oxo- 2H- chromen- 7- yl)piperidine- 1,4- dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1ccc2c(c1)oc(=O)cc2C

STK589005
Synonyms: (3aR,4R,7S,7aR)- 3- [4- (benzyloxy)- 3- methoxyphenyl]- 3a,4,5,6,7,7a- hexahydro- 4,7- methano- 1,2- benzoxazole
Smiles: COc1cc(ccc1OCc1ccccc1)C1=NO[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1

STK589007
Synonyms: 5- [(5- chloro- 2- methoxybenzyl)amino]- 2- (morpholin- 4- ium- 4- yl)benzoate
Smiles: COc1ccc(cc1CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1)Cl

STK589009
Synonyms: (3a'S,6a'R)- 5'- tert- butyl- 3'- (4- hydroxybenzyl)- 5- methyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Oc1ccc(cc1)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cc(C)cc1

STK589010
Synonyms: N- (3- hydroxypropyl)- N'- {[4- (4- methoxyphenyl)tetrahydro- 2H- pyran- 4- yl]methyl}ethanediamide
Smiles: OCCCNC(=O)C(=O)NCC1(CCOCC1)c1ccc(cc1)OC

STK589011
Synonyms: 2- [(3- benzyl- 4,8- dimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- [3- (1H- imidazol- 1- yl)propyl]acetamide
Smiles: O=C(COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)NCCCn1cncc1

STK589012
Synonyms: (4E)- 5- (4- tert- butylphenyl)- 1- (furan- 2- ylmethyl)- 4- [hydroxy(3- nitrophenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccco1)/c1cccc(c1)[N+](=O)[O-]

STK589013
Synonyms: ethyl(2Z)- 2- {(2E)- [4- (dimethylamino)benzylidene]hydrazinylidene}- 4- methyl- 2,3- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1s/c(=N\N=C\c2ccc(cc2)N(C)C)/[nH]c1C

STK589018
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (4- fluorophenyl)- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)C1N(c2nnc(s2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK589019
Synonyms: 3- [2- (3,4- dimethoxyphenyl)ethyl]- 4- imino- 5- (4- methoxyphenyl)- 8,8- dimethyl- 3,4,5,7,8,9- hexahydro- 6H- chromeno[2,3- d]pyrimidin- 6- one
Smiles: COc1ccc(cc1)C1C2=C(Oc3c1c(=N)n(cn3)CCc1ccc(c(c1)OC)OC)CC(CC2=O)(C)C

STK589020
Synonyms: 10- (3- chlorophenyl)- 9- hydroxy- 7,7- dimethyl- 6,7,8,10- tetrahydro- 11H- indeno[1,2- b]quinolin- 11- one
Smiles: Clc1cccc(c1)C1C2=C(O)CC(CC2=NC2=C1C(=O)c1c2cccc1)(C)C

STK589021
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,6- dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK589024
Synonyms: 3- (9- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)phenol
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1cccc(c1)O

STK589027
Synonyms: N- (4- fluorophenyl)- 2- (3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl)acetamide
Smiles: O=C(CC1NC(=O)c2c1cccc2)Nc1ccc(cc1)F

STK589028
Synonyms: N- cyclooctyl- 2- (5- hydroxy- 4,7- dimethyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)C)NC1CCCCCCC1

STK589032
Synonyms: (4E)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 5- (3- nitrophenyl)- 1- (1,3- thiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1nccs1)/O

STK589034
Synonyms: 9a- [(E)- 2- {4- [(3- chlorobenzyl)oxy]- 3- methoxyphenyl}ethenyl]- 7,9,9- trimethyl- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: COc1cc(ccc1OCc1cccc(c1)Cl)/C=C/C12NC(=O)CN1c1c(C2(C)C)cc(cc1)C

STK589035
Synonyms: 1- {[1- (tert- butoxycarbonyl)- 4- phenylpiperidin- 4- yl]carbonyl}- L- proline
Smiles: OC(=O)[C@@H]1CCCN1C(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1

STK589037
Synonyms: N'- [(E)- (3,4- dihydroxyphenyl)methylidene]- 3,3- dimethyl- 2- methylidenebicyclo[2.2.1]heptane- 1- carbohydrazide
Smiles: O=C(C12CCC(C1)C(C2=C)(C)C)N/N=C/c1ccc(c(c1)O)O

STK589039
Synonyms: 2- [(2E)- {[5- (2- fluorophenyl)furan- 2- yl]methylidene}hydrazinylidene]- 2,3- dihydro- 1H- benzimidazole
Smiles: Fc1ccccc1c1ccc(o1)/C=N/N=c/1\[nH]c2c([nH]1)cccc2

STK589040
Synonyms: (3,4- dimethylphenyl)(3,5,6,7- tetrahydro- 1'H- spiro[imidazo[4,5- c]pyridine- 4,4'- piperidin]- 1'- yl)methanone
Smiles: O=C(c1ccc(c(c1)C)C)N1CCC2(CC1)NCCc1c2[nH]cn1

STK589041
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2C)C)nnc1c1cccc(c1)Cl

STK589044
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- ethoxyphenyl)acetamide
Smiles: CCOc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK589045
Synonyms: 1'- ethyl- 2'- methyl- 6'- nitro- 1,3- diphenyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4,6(1H,3H)- trione
Smiles: CCN1c2ccc(cc2CC2(C1C)C(=O)N(c1ccccc1)C(=O)N(C2=O)c1ccccc1)[N+](=O)[O-]

STK589046
Synonyms: N- (3- chlorophenyl)- 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)Cl)nnc1c1ccccc1F

STK589048
Synonyms: 2- (2,5- dimethoxyphenyl)- 5,6,7,8- tetrahydroquinoxaline1,4- dioxide
Smiles: COc1ccc(cc1c1c[n+]([O-])c2c([n+]1[O-])CCCC2)OC

STK589049
Synonyms: 7- (3- chlorobenzyl)- 8- {[4- (3- chlorophenyl)piperazin- 1- yl]methyl}- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Clc1cccc(c1)Cn1c(CN2CCN(CC2)c2cccc(c2)Cl)nc2c1c(O)nc(=O)n2C

STK589050
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- dichlorophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)Cl)nnc1c1cccc(c1)Cl

STK589051
Synonyms: 5- (2- chlorophenyl)- 4- ({(E)- [4- (propan- 2- yl)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)C

STK589052
Synonyms: 4- (3- bromophenyl)- 1- (4- methylphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)CC(C2=C1COC2=O)c1cccc(c1)Br

STK589054
Synonyms: 2- (3,4- dimethoxyphenyl)- N- [(2Z)- 5,5- dioxido- 3- (prop- 2- en- 1- yl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: C=CCN1/C(=N/C(=O)Cc2ccc(c(c2)OC)OC)/SC2C1CS(=O)(=O)C2

STK589055
Synonyms: 8- (4- chlorophenyl)- 11- (2- methoxyphenyl)- 10- methyl- 2- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1cccnc1)c1ccc(cc1)Cl

STK589056
Synonyms: (5Z)- 5- {[2,5- dimethyl- 1- (4- methylphenyl)- 1H- pyrrol- 3- yl]methylidene}- 6- hydroxy- 3- phenylpyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1)O

STK589059
Synonyms: N- (2,4- dimethoxyphenyl)- 2- (10- methoxy- 6- oxo- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 7(6H)- yl)acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)Cn1c2c(c3c1ccc(c3)OC)nc1n(c2=O)CCCS1

STK589060
Synonyms: N- (2,4- dichlorophenyl)- 3- (4- oxoquinazolin- 3(4H)- yl)propanamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CCn1cnc2c(c1=O)cccc2

STK589061
Synonyms: 3- [(4- methylphenoxy)methyl]- 4- (4- methylphenyl)- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nnc1COc1ccc(cc1)C

STK589062
Synonyms: 2- (ethylsulfanyl)- 6,6- dimethyl- 9- (2,3,4- trimethoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nc2n(n1)C(C1=C(O)CC(CC1=N2)(C)C)c1ccc(c(c1OC)OC)OC

STK589066
Synonyms: (2E)- 3- [2- (azepan- 1- yl)- 9- methyl- 4- oxo- 4H- pyrido[1,2- a]pyrimidin- 3- yl]- 2- [(4- chlorophenyl)sulfonyl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCCCCC1)/S(=O)(=O)c1ccc(cc1)Cl

STK589068
Synonyms: 8- (4- chlorophenyl)- 4- hydroxy- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Clc1ccc(cc1)n1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK589072
Synonyms: 1,3- dimethyl- 8- [(3- methylpiperidin- 1- yl)methyl]- 7- (3- phenylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CCCN(C1)Cc1nc2c(n1CCCc1ccccc1)c(=O)n(c(=O)n2C)C

STK589073
Synonyms: 9- (3- chlorophenyl)- 3- (2- fluorobenzyl)- 1- methyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: Clc1cccc(c1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1F

STK589074
Synonyms: 2- (4- methoxybenzyl)- 14- phenyl- 14H- benzo[7,8]chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccc(cc1)Cc1nc2n(n1)cnc1c2C(c2ccccc2)c2c(O1)c1ccccc1cc2

STK589077
Synonyms: methylN- [(2- fluorobenzyl)carbamoyl]- D- leucinate
Smiles: COC(=O)[C@H](NC(=O)NCc1ccccc1F)CC(C)C

STK589079
Synonyms: 3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- (1,2,3,4- tetrahydronaphthalen- 1- yl)propanamide
Smiles: O=C(NC1CCCc2c1cccc2)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK589080
Synonyms: 2- (4- tert- butyl- 2,6- dimethylbenzyl)- 6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CCN(Cc2cc1OC)Cc1c(C)cc(cc1C)C(C)(C)C

STK589081
Synonyms: methylN- [(4- methylpiperazin- 1- yl)carbonyl]- D- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)N1CCN(CC1)C

STK589082
Synonyms: 4- chloro- N- [6- chloro- 3- (4- methoxyphenyl)- 4- oxo- 4H- chromen- 2- yl]benzamide
Smiles: COc1ccc(cc1)c1c(NC(=O)c2ccc(cc2)Cl)oc2c(c1=O)cc(cc2)Cl

STK589083
Synonyms: 3- [(3a'S,6a'R)- 5'- (4- acetylphenyl)- 6- chloro- 7- methyl- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)C(=O)C)C(=O)Nc1c2ccc(c1C)Cl

STK589085
Synonyms: N'- {(1E)- 1- [2- hydroxy- 1- (4- methoxyphenyl)- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene]ethyl}benzohydrazide
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C(\NNC(=O)c2ccccc2)/C)/C1=O)O

STK589087
Synonyms: N- (2,3- dimethoxybenzyl)- 2- (1,1- dioxido- 3- oxo- 1,2- benzothiazol- 2(3H)- yl)- N- (prop- 2- en- 1- yl)acetamide
Smiles: C=CCN(C(=O)CN1C(=O)c2c(S1(=O)=O)cccc2)Cc1cccc(c1OC)OC

STK589088
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- 1- (4- methylphenyl)ethanone
Smiles: Cc1ccc(cc1)C(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK589089
Synonyms: 2- [(4- chlorophenoxy)methyl]- 10- methyl- 8- phenyl- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1ccccc1

STK589093
Synonyms: 4- {(2E)- 2- [4- methoxy- 3- (morpholin- 4- ylmethyl)benzylidene]hydrazinyl}- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: COc1ccc(cc1CN1CCOCC1)/C=N/Nc1ncnc2c1c1CCCCc1s2

STK589095
Synonyms: 2- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 1- (3,4,5- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c(=O)c1c(o2)cccc1

STK589096
Synonyms: 8- (2- chlorobenzyl)- 4- hydroxy- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Clc1ccccc1Cn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK589097
Synonyms: 7- chloro- 1',3,3'- trimethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: CN1CCN2C(C1)C1(Cc3c2cccc3Cl)C(=O)N(C)C(=O)N(C1=O)C

STK589098
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (3,4- dichlorophenyl)ethanone
Smiles: Clc1cccc(c1)c1nnc(n1c1ccccc1)SCC(=O)c1ccc(c(c1)Cl)Cl

STK589100
Synonyms: N- [1- (2- chlorobenzyl)- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]acetamide
Smiles: CC(=O)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccccc1Cl)C(F)(F)F

STK589101
Synonyms: 10- methyl- 6- phenyl- 3- (pyridin- 3- ylmethyl)- 3,4- dihydro- 2H,8H- chromeno[6,7- e][1,3]oxazin- 8- one
Smiles: O=c1cc(c2ccccc2)c2c(o1)c(C)c1c(c2)CN(CO1)Cc1cccnc1

STK589103
Synonyms: 3- cyclopentyl- 2- (furan- 2- yl)- 10- methylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: Cn1c2nc(c3ccco3)n(c(=O)c2c(=O)c2c1cccc2)C1CCCC1

STK589104
Synonyms: (2Z)- 2- (4- hydroxy- 2- oxo- 1,3- thiazol- 5(2H)- ylidene)- N- (2- hydroxyphenyl)ethanamide
Smiles: O=C(Nc1ccccc1O)/C=C/1\SC(=O)N=C1O

STK589105
Synonyms: N- (furan- 2- ylmethyl)- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]pyridine- 4- carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1ccncc1)Cc1ccco1

STK589106
Synonyms: N- (5- methyl- 7- phenyl- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)thiophene- 2- carboxamide
Smiles: CC1Nc2nc(nn2C(C1)c1ccccc1)NC(=O)c1cccs1

STK589108
Synonyms: 7- (3- chloro- 4- methylphenyl)- 2- (2- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccccc1c1nn2c(n1)c1cnn(c1nc2)c1ccc(c(c1)Cl)C

STK589109
Synonyms: N- (3- methoxyphenyl)- 1- (4- methoxyphenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)OC)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK589112
Synonyms: ethyl4- {[(2- hydroxy- 5- oxo- 3,4,5,6,7,8- hexahydroquinolin- 4- yl)carbonyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C1CC(=NC2=C1C(=O)CCC2)O

STK589114
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK589116
Synonyms: 1- (4- ethoxyphenyl)- N- (2- methoxyphenyl)- 4- (4- methoxyphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1OC)cc3c1ccc(cc1)OC

STK589118
Synonyms: N- (2- chlorobenzyl)- 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]hexanamide
Smiles: O=C(NCc1ccccc1Cl)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK589119
Synonyms: 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (4- methylphenyl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)C)nnc1COc1ccccc1

STK589120
Synonyms: 5- (2- methoxyphenyl)- 4- {[(E)- (2,4,6- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(OC)c(c(c1)OC)/C=N/n1c(=S)[nH]nc1c1ccccc1OC

STK589121
Synonyms: (3a'S,6a'R)- 5'- (3,5- dimethylphenyl)- 5- fluoro- 3'- (4- hydroxybenzyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1cc(C)cc(c1)C)Cc1ccc(cc1)O)C(=O)N2

STK589122
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK589124
Synonyms: (2S)- N- (3- fluorophenyl)- 3- methyl- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanamide
Smiles: Fc1cccc(c1)NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)C(C)C

STK589125
Synonyms: 4- {[4- (2- fluorophenyl)piperazin- 1- ium- 1- yl]methyl}- 2- oxo- 2H- chromen- 6- olate
Smiles: [O-]c1ccc2c(c1)c(C[NH+]1CCN(CC1)c1ccccc1F)cc(=O)o2

STK589126
Synonyms: (E)- {1- [2- (diethylammonio)ethyl]- 2- (4- methoxyphenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(phenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1ccc(cc1)OC)CC

STK589128
Synonyms: [10- (4- hydroxyphenyl)- 2,6,8- trioxo- 3,4a,5,5a,6,8,8a,9,9a,10- decahydro- 5,9- methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3- f]isoindol- 7(2H)- yl]aceticacid
Smiles: OC(=O)CN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccc(cc2)O)sc(=O)[nH]1

STK589131
Synonyms: (4E)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 5- (4- methylphenyl)- 1- (1,3- thiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)c1nccs1)/O

STK589132
Synonyms: N- (4- ethylphenyl)- 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1

STK589133
Synonyms: (4E)- 1- (5- bromopyridin- 2- yl)- 4- [(4- ethoxyphenyl)(hydroxy)methylidene]- 5- (3- nitrophenyl)pyrrolidine- 2,3- dione
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1ccc(cn1)Br)/O

STK589134
Synonyms: N- [(2Z)- 3- (4- butylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: CCCCc1ccc(cc1)N1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2

STK589135
Synonyms: 4- methyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)CC(C)C

STK589136
Synonyms: 7- (3- chloro- 4- fluorophenyl)- 3- (4- nitrophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: O=C1CC2(C(=O)N1c1ccc(c(c1)Cl)F)ON=C(C2)c1ccc(cc1)[N+](=O)[O-]

STK589137
Synonyms: 3- [(3a'S,6a'R)- 5- fluoro- 5'- (4- methoxybenzyl)- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: COc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(F)cc2

STK589139
Synonyms: 5- cyclopropyl- N'- [(1E)- 1- (3- hydroxyphenyl)ethylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: Oc1cccc(c1)/C(=N/NC(=O)c1n[nH]c(c1)C1CC1)/C

STK589140
Synonyms: 4- {[(E)- (2- fluorophenyl)methylidene]amino}- 5- [3- (propan- 2- yloxy)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1F)C

STK589141
Synonyms: 7- benzyl- 8- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

STK589143
Synonyms: 2- {[(Z)- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)methyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(N/C=C\2/C(=NC(=NC2=O)O)O)sc2c1CCCC2

STK589144
Synonyms: 2- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 1- (pyridin- 4- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccncc1)c(=O)c1c(o2)cccc1

STK589147
Synonyms: 7- benzyl- 3- (3- hydroxypropyl)- 6,10- dimethyl- 3,4- dihydro- 2H,8H- chromeno[6,7- e][1,3]oxazin- 8- one
Smiles: OCCCN1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)Cc1ccccc1

STK589148
Synonyms: (1Z,2E)- 1- {2- (4- hydroxy- 3- methoxyphenyl)- 1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}- 3- phenylprop- 2- en- 1- olate
Smiles: COc1cc(ccc1O)C1/C(=C(\C=C\c2ccccc2)/[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

STK589149
Synonyms: ethyl(3R)- 2'- amino- 1,5- dimethyl- 2,5'- dioxo- 1,2- dihydro- 5'H- spiro[indole- 3,4'- pyrano[3,2- c]chromene]- 3'- carboxylate
Smiles: CCOC(=O)C1=C(N)Oc2c([C@@]31c1cc(C)ccc1N(C3=O)C)c(=O)oc1c2cccc1

STK589150
Synonyms: N- (3,5- dimethylphenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK589151
Synonyms: (3a'S,6a'R)- 5'- (4- fluorobenzyl)- 3'- (1- hydroxyethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Fc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cccc2

STK589152
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2- (5- methoxy- 4,7- dimethyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NCCC1=CCCCC1