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 140 141 142 143 144 145 146 147 148 149 Next

STK543923
Synonyms: 1- [(2,4- dichlorobenzyl)sulfanyl]- 4- (2- phenylethyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3

STK543924
Synonyms: 8- chloro- 3- (tetrahydrofuran- 2- ylmethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Clc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)CC1CCCO1

STK543925
Synonyms: 2- {[2- (2- hydroxyethoxy)ethyl]amino}- 3- {(Z)- [4- oxo- 3- (prop- 2- en- 1- yl)- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: OCCOCCNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC=C

STK543926
Synonyms: N'- [(E)- (5- bromo- 2- fluorophenyl)methylidene]pyrazine- 2- carbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1cnccn1)F

STK543927
Synonyms: ethyl4- (4- methylphenyl)- 2- {[3- (4- methylpiperazin- 1- yl)quinoxalin- 2- yl]amino}thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)C)Nc1nc2ccccc2nc1N1CCN(CC1)C

STK543928
Synonyms: (4Z)- 5- (3- fluorophenyl)- 4- (1- hydroxyethylidene)- 1- [3- (morpholin- 4- yl)propyl]pyrrolidine- 2,3- dione
Smiles: Fc1cccc(c1)C1N(CCCN2CCOCC2)C(=O)C(=O)/C/1=C(\O)/C

STK543929
Synonyms: N- (4- bromophenyl)- 2- {[7,7- dimethyl- 4- (3- methylphenyl)- 5- oxo- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)(C)C

STK543930
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- (3,4- dichlorophenyl)- 5,6- dimethylthieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Clc1ccc(cc1)CSc1nc2sc(c(c2c(=O)n1c1ccc(c(c1)Cl)Cl)C)C

STK543931
Synonyms: N- benzyl- 2- [(6,6- dimethyl- 4- oxo- 3- phenyl- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(SC3)(C)C

STK543933
Synonyms: N- (4- phenylbutan- 2- yl)- 2- [(3,6,6- trimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CC(NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C)CCc1ccccc1

STK543934
Synonyms: N'- [(E)- (4- tert- butylphenyl)methylidene]- 2- [4- (4- methylbenzyl)piperazin- 1- yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C/c1ccc(cc1)C(C)(C)C

STK543936
Synonyms: N- cyclohexyl- 1- (furan- 2- ylmethyl)- 2- {[(4- methylphenyl)sulfonyl]amino}- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1c(C(=O)NC2CCCCC2)c2c(n1Cc1ccco1)nc1c(n2)cccc1

STK543938
Synonyms: (1'R,2'S,3R)- 1'- acetyl- 7'- methoxy- 2'- (thiophen- 2- ylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc2c(c1)C=CC1N2[C@@H](C(=O)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cccs1

STK543939
Synonyms: (4E)- 5- (3- ethoxy- 4- hydroxyphenyl)- 4- [hydroxy(4- methoxy- 3- methylphenyl)methylidene]- 1- (2- methoxyethyl)pyrrolidine- 2,3- dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(c(c1)OCC)O

STK543941
Synonyms: (4Z)- 5- (2,5- dimethoxyphenyl)- 4- (1- hydroxyethylidene)- 1- [3- (morpholin- 4- yl)propyl]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1C1N(CCCN2CCOCC2)C(=O)C(=O)/C/1=C(\O)/C)OC

STK543942
Synonyms: N- butyl- 4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCCCNc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK543943
Synonyms: (6aR,6bS,9aR,10S)- N- (4- chlorophenyl)- 7,9- dioxo- 8- phenyl- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccccc1)C=Cc1c2cccc1

STK543944
Synonyms: 1- (3- methylphenyl)- 2- (4- nitrophenyl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: Cc1cccc(c1)n1c(nc2c1nc1ccccc1n2)c1ccc(cc1)[N+](=O)[O-]

STK543945
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (furan- 2- ylmethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK543947
Synonyms: 3- (3- methoxyphenyl)- 2- (pentylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)OC)CCCC3

STK543949
Synonyms: N- [2,5- dioxo- 1- (4- propoxyphenyl)pyrrolidin- 3- yl]- N- propylacetamide
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)C)CCC

STK543950
Synonyms: 2'- (5- bromothiophen- 2- yl)- 2,2- dimethyl- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc(s1)C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C

STK543951
Synonyms: methyl{[5- (furan- 2- yl)- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK543952
Synonyms: N- (2- methoxyphenyl)- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK543953
Synonyms: 6- iodo- 3- (4- methylphenyl)- 2- [(2- oxo- 2- phenylethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)cc(cc2)I

STK543954
Synonyms: 7- (4- fluorophenyl)- 9- (3- nitrophenyl)- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazoline
Smiles: Fc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1cccc(c1)[N+](=O)[O-])c1c(CC2)cccc1

STK543956
Synonyms: 3- benzyl- 6- iodo- 2- [(Z)- (2- oxo- 1- propyl- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]quinazolin- 4(3H)- one
Smiles: CCCN1c2ccccc2/C(=C/c2nc3ccc(cc3c(=O)n2Cc2ccccc2)I)/C1=O

STK543957
Synonyms: N- [2- (1H- benzimidazol- 2- yl)propan- 2- yl]- 2- chlorobenzamide
Smiles: Clc1ccccc1C(=O)NC(c1nc2c([nH]1)cccc2)(C)C

STK543958
Synonyms: methyl2- (acetylamino)- 3,3,3- trifluoro- N- [6- (propan- 2- yl)- 1,3- benzothiazol- 2- yl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1nc2c(s1)cc(cc2)C(C)C)NC(=O)C

STK543959
Synonyms: benzyl(8R,8aR)- 6- amino- 5,7,7- tricyano- 8- (2- fluoro- 5- methoxyphenyl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: COc1ccc(c(c1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1)F

STK543960
Synonyms: (3aR,6aS)- 3- (4- bromophenyl)- 5- (3- chlorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)Cl

STK543961
Synonyms: N- [1- (1- benzyl- 1H- benzimidazol- 2- yl)ethyl]thiophene- 2- carboxamide
Smiles: O=C(c1cccs1)NC(c1nc2c(n1Cc1ccccc1)cccc2)C

STK543964
Synonyms: 3- (3- methylphenyl)- 2- (prop- 2- en- 1- ylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK543965
Synonyms: 4- methoxy- N- {[2- (quinolin- 2- ylcarbonyl)hydrazinyl]carbonothioyl}benzamide
Smiles: COc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1ccc2c(n1)cccc2

STK543967
Synonyms: 2- [(3- hydroxypropyl)amino]- 3- {(Z)- [3- (2- methoxyethyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 7- methyl- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: COCCN1C(=S)S/C(=C\c2c(NCCCO)nc3n(c2=O)cc(cc3)C)/C1=O

STK543968
Synonyms: ethyl{[6- iodo- 3- (4- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)OC)I

STK543969
Synonyms: (8S,8aR,11aS)- N- (4- chlorophenyl)- 10- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)cccc3

STK543971
Synonyms: N- (4- chlorophenyl)- 2- [(4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK543972
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N'- [(1Z)- 1- (4- fluorophenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(\c1ccc(cc1)F)/C)CSc1nc2c(o1)cccc2

STK543973
Synonyms: 6,6- dimethyl- 3- (4- methylphenyl)- 2- (prop- 2- en- 1- ylsulfanyl)- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK543974
Synonyms: (2E,5Z)- 5- [4- (octyloxy)benzylidene]- 2- {[2- (trifluoromethyl)phenyl]imino}- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\S/C(=N/c2ccccc2C(F)(F)F)/NC1=O

STK543975
Synonyms: 9- (4- bromophenyl)- 7- (4- fluorophenyl)- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazoline
Smiles: Fc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)Br)c1c(CC2)cccc1

STK543976
Synonyms: ethyl4- ({[(3,4,8- trimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)COc1ccc2c(c1C)oc(=O)c(c2C)C

STK543977
Synonyms: 4- {(Z)- [2- ({[5- (3,4- dimethoxyphenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)hydrazinylidene]methyl}- 2,6- dimethoxyphenylacetate
Smiles: COc1cc(/C=N\NC(=O)CSc2nnc(n2CC)c2ccc(c(c2)OC)OC)cc(c1OC(=O)C)OC

STK543978
Synonyms: methyl2- (acetylamino)- 3,3,3- trifluoro- N- [6- (1,1,1,3,3,3- hexafluoro- 2- hydroxypropan- 2- yl)- 1,3- benzothiazol- 2- yl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1nc2c(s1)cc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C

STK543979
Synonyms: N- benzyl- 2- {[6,6- dimethyl- 3- (4- methylphenyl)- 4- oxo- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK543981
Synonyms: 2- [(4- methoxybenzyl)sulfanyl]- 6,6- dimethyl- 3- (prop- 2- en- 1- yl)- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: C=CCn1c(SCc2ccc(cc2)OC)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK543982
Synonyms: N- [1- (4- fluorophenyl)- 2,5- dioxopyrrolidin- 3- yl]- N- (tetrahydrofuran- 2- ylmethyl)acetamide
Smiles: Fc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)C)CC1CCCO1

STK543983
Synonyms: 2- {[3- (1H- imidazol- 1- yl)propyl]amino}- 9- methyl- 3- [(Z)- (4- oxo- 3- propyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCN1C(=S)S/C(=C\c2c(NCCCn3cncc3)nc3n(c2=O)cccc3C)/C1=O

STK543984
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- methoxyphenyl)carbonyl]- 8- (4- nitrophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)[N+](=O)[O-])C=Cc1c2cccc1

STK543985
Synonyms: 3- (2- methoxyphenyl)- 2- [(E)- 2- (4- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: COc1ccccc1n1c(/C=C/c2ccc(cc2)C)nc2c(c1=O)cccc2

STK543986
Synonyms: 4- chloro- N- [1- (4- methoxybenzyl)- 3- (phenylsulfonyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]benzenesulfonamide
Smiles: COc1ccc(cc1)Cn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)Cl)S(=O)(=O)c1ccccc1

STK543987
Synonyms: 3- {[(E)- (3,5- dichloro- 2- hydroxyphenyl)methylidene]amino}- 2- methylquinazolin- 4(3H)- one
Smiles: Clc1cc(/C=N/n2c(C)nc3c(c2=O)cccc3)c(c(c1)Cl)O

STK543988
Synonyms: 2- {[3- (3,4- dichlorophenyl)- 5,6- dimethyl- 4- oxo- 3,4- dihydrothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (4- nitrophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nc2sc(c(c2c(=O)n1c1ccc(c(c1)Cl)Cl)C)C

STK543989
Synonyms: 2- [(4- amino- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- 1- (4- fluorophenyl)ethanone
Smiles: Fc1ccc(cc1)C(=O)CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C

STK543991
Synonyms: 2- (4- nitrophenyl)- 1- [3- (trifluoromethyl)phenyl]- 1H- imidazo[4,5- b]quinoxaline
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc2c(n1c1cccc(c1)C(F)(F)F)nc1c(n2)cccc1

STK543992
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N'- [(E)- (5- bromo- 2- fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(o1)cccc2)N/N=C/c1cc(Br)ccc1F

STK543993
Synonyms: (2E)- 3- (4- fluorophenyl)- N- [(2- nitrophenyl)carbamothioyl]prop- 2- enamide
Smiles: S=C(Nc1ccccc1[N+](=O)[O-])NC(=O)/C=C/c1ccc(cc1)F

STK543996
Synonyms: 9- (4- methylphenyl)- 2- (naphthalen- 1- yl)tetrahydro- 5H- pyrazolo[1,2- a]pyrrolo[3,4- c]pyrazole- 1,3(2H,3aH)- dione
Smiles: Cc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1cccc2c1cccc2

STK543999
Synonyms: N- [1- (4- ethylphenyl)- 2,5- dioxopyrrolidin- 3- yl]- N- (2- phenylethyl)acetamide
Smiles: CCc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)C)CCc1ccccc1

STK544002
Synonyms: 6- [(4- nitro- 2,1,3- benzothiadiazol- 5- yl)amino]hexanoicacid
Smiles: [O-][N+](=O)c1c(NCCCCCC(=O)O)ccc2c1nsn2

STK544005
Synonyms: 1- (2- methoxyphenyl)- 2- {[(2- methylphenyl)carbonyl]amino}- N- (prop- 2- en- 1- yl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: C=CCNC(=O)c1c(NC(=O)c2ccccc2C)n(c2c1nc1ccccc1n2)c1ccccc1OC

STK544006
Synonyms: N- benzyl- 2- {[3- (2- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccccc1n1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK544007
Synonyms: methyl4- {[3- cyano- 4- (4- fluorophenyl)- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- 3- oxobutanoate
Smiles: COC(=O)CC(=O)CSc1nc(cc(c1C#N)c1ccc(cc1)F)c1cccs1

STK544008
Synonyms: N- (2- {(2E)- 2- [1- (2,4- dimethoxyphenyl)ethylidene]hydrazinyl}- 2- oxoethyl)- 2- (3- methylphenoxy)acetamide(non- preferredname)
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)CNC(=O)COc1cccc(c1)C)/C

STK544009
Synonyms: 4- (2- methylphenyl)- 5- (pyridin- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1ccccc1C)c1cccnc1

STK544011
Synonyms: 7- benzyl- 3- methyl- 8- [(naphthalen- 2- ylmethyl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=c1[nH]c(=O)c2c(n1C)nc(n2Cc1ccccc1)SCc1ccc2c(c1)cccc2

STK544012
Synonyms: 3- (2,5- dibromophenyl)- 2- pentylquinazolin- 4(3H)- one
Smiles: CCCCCc1nc2ccccc2c(=O)n1c1cc(Br)ccc1Br

STK544013
Synonyms: 3- benzyl- 11- (3- methylphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1cccc(c1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccccc1

STK544014
Synonyms: N- (4- bromophenyl)- 2- {[6,6- dimethyl- 3- (4- methylphenyl)- 4- oxo- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK544015
Synonyms: methyl4- {6- [(3,5- dichlorophenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(Cl)cc(c1)Cl)nc1c2cccc1

STK544016
Synonyms: 3- (4- bromophenyl)- 2- (2- nitrophenyl)quinazolin- 4(3H)- one
Smiles: Brc1ccc(cc1)n1c(=O)c2ccccc2nc1c1ccccc1[N+](=O)[O-]

STK544017
Synonyms: 2- [(4- methylbenzyl)sulfanyl]- 3- (2- methylprop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK544019
Synonyms: (3aS,6aS)- 5- (4- methylphenyl)- 3- (4- nitrophenyl)- 1- phenyl- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)N(N=C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK544020
Synonyms: 2'- (2,4- dichlorophenyl)- 2,2- dimethyl- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Clc1ccc(c(c1)Cl)C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C

STK544022
Synonyms: N- (2,4- dichlorophenyl)- 2- {[6,6- dimethyl- 4- oxo- 3- (prop- 2- en- 1- yl)- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2Cl)Cl)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK544024
Synonyms: 2- {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}- 1- (3- nitrophenyl)ethanone
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK544025
Synonyms: N- (4- chlorophenyl)- 10- methyl- 11- (3- nitrophenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccc(c1)[N+](=O)[O-])C)c1ccccc1

STK544026
Synonyms: (4E)- 5- (4- chlorophenyl)- 4- (1- hydroxyethylidene)- 1- (2- methoxyethyl)pyrrolidine- 2,3- dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccc(cc1)Cl

STK544027
Synonyms: 2- (butylsulfanyl)- 5- ethyl- 5- methyl- 3- phenyl- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CCCCSc1nc2c3ccccc3CC(c2c(=O)n1c1ccccc1)(C)CC

STK544028
Synonyms: 6- {(2Z)- 2- [1- (4- bromophenyl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3- b]pyridazine
Smiles: Brc1ccc(cc1)/C(=N\Nc1ccc2n(n1)cnn2)/C

STK544029
Synonyms: 2- cyano- N- cyclopropyl- 2- [3- (4- methylpiperazin- 1- yl)quinoxalin- 2- yl]acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)C)C(=O)NC1CC1

STK544030
Synonyms: 3,6,6- trimethyl- 2- {[4- (propan- 2- yloxy)benzyl]sulfanyl}- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(Oc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C)C

STK544031
Synonyms: 2- [(6,6- dimethyl- 4- oxo- 3- phenyl- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(SC3)(C)C

STK544032
Synonyms: 3- benzyl- 2- [(Z)- (1- benzyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C\1/c2ccccc2N(C1=O)Cc1ccccc1)Cc1ccccc1

STK544033
Synonyms: ethyl(2Z)- cyano[5- (4- fluorobenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]ethanoate
Smiles: CCOC(=O)/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)F)/C#N

STK544034
Synonyms: N- (3- methoxyphenyl)- 2- [(5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)sulfanyl]acetamide
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)Nc1cccc(c1)OC

STK544035
Synonyms: 3,7- bis[(4- methoxyphenyl)carbonyl]- 1,5- dipropyl- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: CCCC12CN(CC(C2=O)(CN(C1)C(=O)c1ccc(cc1)OC)CCC)C(=O)c1ccc(cc1)OC

STK544036
Synonyms: methyl4- {6- [(2,5- dimethylphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(C)ccc1C)nc1c2cccc1

STK544038
Synonyms: 2,5- bis[(3- phenylprop- 2- yn- 1- yl)sulfanyl]- 1,3,4- thiadiazole
Smiles: c1ccc(cc1)C#CCSc1nnc(s1)SCC#Cc1ccccc1

STK544040
Synonyms: ethyl3- [(benzylcarbamothioyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NCc1ccccc1)cccc2

STK544041
Synonyms: N- (4- chlorophenyl)- 11- (3,4- dimethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(cc1OC)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK544042
Synonyms: 8- iodo- 3,4- dimethyl- 7- [2- (4- methylphenyl)- 2- oxoethoxy]- 2H- chromen- 2- one
Smiles: Cc1ccc(cc1)C(=O)COc1ccc2c(c1I)oc(=O)c(c2C)C

STK544043
Synonyms: 2- amino- 4- (2- fluoro- 5- methoxyphenyl)- 5- oxo- 5,6,7,8- tetrahydro- 4H- chromene- 3- carbonitrile
Smiles: COc1ccc(c(c1)C1C(=C(N)OC2=C1C(=O)CCC2)C#N)F

STK544044
Synonyms: methyl(1R,2R,3S)- 1- [(4- chlorophenyl)carbonyl]- 3- cyano- 2- (furan- 2- yl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccco2)[C@@H](N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl

STK544045
Synonyms: 8- (2- ethoxyphenyl)- 9- (heptylsulfanyl)- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: CCCCCCCSc1nc2sc3c(c2c(=O)n1c1ccccc1OCC)CCc1c3cccc1

STK544048
Synonyms: N- (2- {4- [(4- methylphenyl)carbonyl]piperazin- 1- yl}- 1,2- dihydroacenaphthylen- 1- yl)benzenesulfonamide
Smiles: Cc1ccc(cc1)C(=O)N1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2c3c1cccc3ccc2

STK544049
Synonyms: (2E)- 3- (2- chloro- 6,7- dimethoxyquinolin- 3- yl)- 1- phenylprop- 2- en- 1- one
Smiles: COc1cc2cc(/C=C/C(=O)c3ccccc3)c(nc2cc1OC)Cl

STK544050
Synonyms: 2- [(2- benzyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(Cc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK544051
Synonyms: 2'- (2,4- dichlorophenyl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1Cl)Cl

STK544053
Synonyms: 2- (2- nitrophenyl)- 3- phenylquinazolin- 4(3H)- one
Smiles: [O-][N+](=O)c1ccccc1c1nc2ccccc2c(=O)n1c1ccccc1

STK544057
Synonyms: (3aS,6aS)- 5- (3,5- dichlorophenyl)- 3- (4- methoxyphenyl)- 1- phenyl- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl)c1ccccc1

STK544058
Synonyms: N- ({4- [(5- ethyl- 1,3,4- thiadiazol- 2- yl)sulfamoyl]phenyl}carbamothioyl)- 4- methoxybenzamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)OC

STK544059
Synonyms: ethyl3- {[(4- methoxyphenyl)carbamoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Nc1ccc(cc1)OC)cccc2

STK544060
Synonyms: N'- {(E)- [4- (benzyloxy)- 3- methoxyphenyl]methylidene}- 2- [4- (4- chlorobenzyl)piperazin- 1- yl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CN2CCN(CC2)Cc2ccc(cc2)Cl)ccc1OCc1ccccc1

STK544061
Synonyms: (6aR,6bS,9aR,10S)- 8- (4- fluorophenyl)- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccccc1

STK544062
Synonyms: 7- hexyl- 1,3- dimethyl- 8- [(naphthalen- 2- ylmethyl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(SCc2ccc3c(c2)cccc3)nc2c1c(=O)n(c(=O)n2C)C

STK544063
Synonyms: N- ({4- [(6- methoxypyrimidin- 4- yl)sulfamoyl]phenyl}carbamothioyl)pyridine- 3- carboxamide
Smiles: COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1cccnc1

STK544064
Synonyms: N- [1- (1H- benzimidazol- 2- yl)- 3- (methylsulfanyl)propyl]- 4- nitrobenzamide
Smiles: CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK544065
Synonyms: (2Z)- N- (4- bromophenyl)- 2- cyano- 2- [5- (4- methoxybenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)OC)/C(=O)Nc1ccc(cc1)Br

STK544067
Synonyms: (4E)- 5- (4- fluorophenyl)- 4- [furan- 2- yl(hydroxy)methylidene]- 1- (pyrimidin- 2- yl)pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccco2)\O)/C(=O)C(=O)N1c1ncccn1

STK544068
Synonyms: ethyl5- amino- 4- (4- nitrophenyl)thiophene- 3- carboxylate
Smiles: CCOC(=O)c1csc(c1c1ccc(cc1)[N+](=O)[O-])N

STK544069
Synonyms: 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK544070
Synonyms: 1,4- bis(4- chlorophenyl)- N- (prop- 2- en- 1- yl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carbothioamide
Smiles: C=CCNC(=S)c1n2cc(n3c2c(c1c1ccc(cc1)Cl)CCCC3)c1ccc(cc1)Cl

STK544071
Synonyms: 1- (4- bromophenyl)- N- (4- ethoxyphenyl)- 4- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carbothioamide
Smiles: CCOc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)Br)c2c3n1cc(n3CCCC2)c1ccccc1

STK544073
Synonyms: 2- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)- N'- {(E)- [4- (propan- 2- yl)phenyl]methylidene}acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)N/N=C/c1ccc(cc1)C(C)C

STK544075
Synonyms: 3- (2,5- dibromophenyl)- 2- [(E)- 2- (3- nitrophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Brc1ccc(c(c1)n1c(/C=C/c2cccc(c2)[N+](=O)[O-])nc2c(c1=O)cccc2)Br

STK544076
Synonyms: N- (3- chlorophenyl)- 1,4- bis(4- chlorophenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Clc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)Cl)c1ccc(cc1)Cl

STK544077
Synonyms: 3- (2- methylphenyl)- 2- {[2- oxo- 2- (piperidin- 1- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: O=C(N1CCCCC1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK544078
Synonyms: ethyl[(4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544079
Synonyms: [(3Z)- 3- (1- hydroxyethylidene)- 2- (2- nitrophenyl)- 4,5- dioxopyrrolidin- 1- yl]aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccccc1[N+](=O)[O-]

STK544080
Synonyms: (6Z)- 6- ({1- [2- (3,4- dimethylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)- 5- imino- 2- (trifluoromethyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(cc1C)OCCn1c2ccccc2c(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F

STK544081
Synonyms: 6- [(2E)- 2- (furan- 2- ylmethylidene)hydrazinyl][1,2,4]triazolo[4,3- b]pyridazine
Smiles: c1coc(c1)/C=N/Nc1ccc2n(n1)cnn2

STK544083
Synonyms: 1- [3- (4- bromophenyl)- 5- (4- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 3- (4- methylpiperazin- 1- yl)propan- 1- one
Smiles: COc1ccc(cc1)C1CC(=NN1C(=O)CCN1CCN(CC1)C)c1ccc(cc1)Br

STK544084
Synonyms: 2- {[5- (3,4- dimethoxyphenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- fluorophenyl)methylidene]acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C/c1ccccc1F

STK544085
Synonyms: 2,2- dimethyl- 8- [(3- methylbutyl)sulfanyl]- 5- propyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCCC(C)C

STK544086
Synonyms: (4E)- 5- (4- chlorophenyl)- 4- [hydroxy(4- methoxyphenyl)methylidene]- 1- [2- (piperazin- 1- yl)ethyl]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCN1CCNCC1)/O

STK544087
Synonyms: (3aR,6aS)- 5- (4- methylphenyl)- 3- (4- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)[N+](=O)[O-]

STK544089
Synonyms: (4E)- 5- (4- chlorophenyl)- 1- [3- (dimethylamino)propyl]- 4- [hydroxy(4- methoxyphenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCCN(C)C)/O

STK544090
Synonyms: (3aS,6aS)- 3- (4- nitrophenyl)- 1,5- diphenyl- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1C(=NN2c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK544091
Synonyms: dipropan- 2- yl[(2,5- dimethoxyphenyl)(phenylamino)methyl]phosphonate
Smiles: COc1ccc(c(c1)C(P(=O)(OC(C)C)OC(C)C)Nc1ccccc1)OC

STK544092
Synonyms: 4- (4- cyclohexylpiperazin- 1- yl)- 6,7- dimethoxy- 2- phenylquinazoline
Smiles: COc1cc2c(cc1OC)nc(nc2N1CCN(CC1)C1CCCCC1)c1ccccc1

STK544093
Synonyms: N- (4- methoxyphenyl)- 2- {[11- (2- methylpropyl)- 7,8,9,10- tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)CC(C)C

STK544094
Synonyms: N'- [(E)- (4- nitrophenyl)methylidene]- 4- (propan- 2- yloxy)benzohydrazide
Smiles: CC(Oc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)[N+](=O)[O-])C

STK544096
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (2- methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK544097
Synonyms: N- butyl- N- ethyl- 4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCCCN(c1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)CC

STK544098
Synonyms: 3- [(1,3- benzodioxol- 5- ylmethyl)sulfanyl]- 10,10- dimethyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc4c(c1)OCO4)nn2)CC(OC3)(C)C

STK544099
Synonyms: N- (3,4- difluorophenyl)- 6- methyl- 4- (3- nitrophenyl)- 2- oxo- 1,2,3,4- tetrahydropyrimidine- 5- carboxamide
Smiles: O=C1NC(=C(C(N1)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1ccc(c(c1)F)F)C

STK544100
Synonyms: 5- (morpholin- 4- yl)- 8- {[4- (propan- 2- yloxy)benzyl]sulfanyl}- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CC(Oc1ccc(cc1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)C

STK544102
Synonyms: 2- {[5- (3,4- dimethoxyphenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1Z)- 1- (3- nitrophenyl)ethylidene]acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C(\c1cccc(c1)[N+](=O)[O-])/C

STK544103
Synonyms: N'- [(E)- (3- bromophenyl)methylidene]- 2- {4- [(4- bromophenyl)sulfonyl]piperazin- 1- yl}acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1cccc(c1)Br

STK544104
Synonyms: 10,10- dimethyl- 2- {[5- methyl- 2- (propan- 2- yl)phenoxy]methyl}- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccc(c(c1)OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2)C(C)C

STK544105
Synonyms: (4E)- 4- [(4- butoxy- 3- methylphenyl)(hydroxy)methylidene]- 5- (4- ethylphenyl)- 1- (pyridin- 3- ylmethyl)pyrrolidine- 2,3- dione
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)CC)Cc1cccnc1)/O

STK544106
Synonyms: 2- {3- [bis(2- methylpropyl)amino]quinoxalin- 2- yl}- 2- cyano- N- (2- phenylethyl)acetamide
Smiles: N#CC(c1nc2ccccc2nc1N(CC(C)C)CC(C)C)C(=O)NCCc1ccccc1

STK544107
Synonyms: 5- [3- (3,4- dimethoxyphenyl)- 5- (4- ethylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: CCc1ccc(cc1)C1CC(=NN1C(=O)CCCC(=O)O)c1ccc(c(c1)OC)OC

STK544108
Synonyms: 5- nitro- 2- {[2- (pyridin- 4- ylcarbonyl)hydrazinyl]carbonyl}benzoicacid
Smiles: O=C(c1ccc(cc1C(=O)O)[N+](=O)[O-])NNC(=O)c1ccncc1

STK544109
Synonyms: methyl(2Z)- {(2Z)- 2- [(2E)- (4- chlorobenzylidene)hydrazinylidene]- 4- oxo- 1,3- thiazolidin- 5- ylidene}ethanoate
Smiles: COC(=O)/C=C/1\S/C(=N\N=C\c2ccc(cc2)Cl)/NC1=O

STK544110
Synonyms: methyl2- [(3E)- 3- [hydroxy(4- methoxy- 3- methylphenyl)methylidene]- 2- (4- hydroxyphenyl)- 4,5- dioxopyrrolidin- 1- yl]- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(cc1)O

STK544112
Synonyms: 6- iodo- 3- phenyl- 2- [(2- phenylethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCCc1ccccc1)c1ccccc1

STK544113
Synonyms: methyl2- (acetylamino)- N- (5- chloro- 4- methyl- 1,3- benzothiazol- 2- yl)- 3,3,3- trifluoroalaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1sc2c(n1)c(C)c(cc2)Cl)NC(=O)C

STK544114
Synonyms: (3aR,6aS)- 5- (1,3- benzodioxol- 5- yl)- 3- (4- bromophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STK544115
Synonyms: 10- methyl- 8,11- diphenyl- N- [3- (trifluoromethyl)phenyl]- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1ccccc1)n1c(=N2)c(Nc2cccc(c2)C(F)(F)F)nc2c1cccc2)c1ccccc1

STK544117
Synonyms: 2- {[6,6- dimethyl- 3- (3- methylphenyl)- 4- oxo- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(SC3)(C)C

STK544118
Synonyms: (1'R,2'S,3R)- 1'- acetyl- 7'- chloro- 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)N2C([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)Cl

STK544119
Synonyms: N- methyl- N- phenyl- 2- [(5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)sulfanyl]acetamide
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)N(c1ccccc1)C

STK544120
Synonyms: (6aR,6bS,9aR,10S)- 8- (3- chlorophenyl)- 10- [(4- methoxyphenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc(c1)Cl)C=Cc1c2cccc1

STK544122
Synonyms: 3- amino- N- {2- [(4- fluorobenzyl)sulfanyl]phenyl}- 6- (thiophen- 2- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Fc1ccc(cc1)CSc1ccccc1NC(=O)c1sc2c(c1N)ccc(n2)c1cccs1

STK544123
Synonyms: 2- benzyl- 4- (benzylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(SCc3ccccc3)nc(nc1s2)Cc1ccccc1

STK544124
Synonyms: 2- [(E)- 2- (4- methylphenyl)ethenyl]- 3- (4- nitrophenyl)quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1)[N+](=O)[O-]

STK544126
Synonyms: 2- (1H- benzimidazol- 2- yl)- 3- (3- chloro- 6- nitro- 1- benzothiophen- 2- yl)- 3- oxopropanenitrile
Smiles: N#CC(C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])c1nc2c([nH]1)cccc2

STK544127
Synonyms: N- (3- chlorophenyl)- 1- (furan- 2- ylmethyl)- 4- hydroxy- 2- oxo- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1c(O)c2CCCCc2n(c1=O)Cc1ccco1

STK544128
Synonyms: (1'R,2'S,3R)- 2'- [(4- chlorophenyl)carbonyl]- 2- oxo- N- phenyl- 1,1',2,2'- tetrahydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinoline]- 1'- carboxamide
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@H](C(=O)Nc2ccccc2)N2C([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STK544129
Synonyms: 10- methyl- N- (2- methylphenyl)- 8- phenyl- 11- [4- (propan- 2- yl)phenyl]- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1ccc(cc1)C(C)C)n1c(=N2)c(Nc2ccccc2C)nc2c1cccc2)c1ccccc1

STK544130
Synonyms: 1- benzyl- 2'- (3,4- dichlorophenyl)- 7'- methoxy- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1ccc(c(c1)Cl)Cl

STK544131
Synonyms: 2- (5- chloro- 2- methylphenyl)- 8- (tricyclo[3.3.1.1~3,7~]dec- 2- ylidene)- 3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3(2H)- dione
Smiles: Clc1ccc(c(c1)N1C(=O)C2C(C1=O)C1/C(=C\3/C4CC5CC3CC(C4)C5)/C2C=C1)C

STK544132
Synonyms: N- (4- bromophenyl)- 2- {[6,6- dimethyl- 4- oxo- 3- (2- phenylethyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK544133
Synonyms: 8- (2- ethoxyphenyl)- 9- [(2- phenylethyl)sulfanyl]- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: CCOc1ccccc1n1c(SCCc2ccccc2)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK544135
Synonyms: 2- (4- methoxyphenyl)- 5- oxo- N,1- diphenylpyrrolidine- 3- carboxamide
Smiles: COc1ccc(cc1)C1C(CC(=O)N1c1ccccc1)C(=O)Nc1ccccc1

STK544136
Synonyms: methyl5- chloro- 3- ({2- [4- (3- chlorophenyl)piperazin- 1- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1cccc(c1)Cl)C)cc(cc2)Cl

STK544137
Synonyms: (4Z)- 1- (4- hydroxyphenyl)- 4- [hydroxy(phenyl)methylidene]- 5- phenylpyrrolidine- 2,3- dione
Smiles: Oc1ccc(cc1)N1C(=O)C(=O)/C(=C(/c2ccccc2)\O)/C1c1ccccc1

STK544138
Synonyms: [4- (6- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)piperazin- 1- yl]acetonitrile
Smiles: CC1CCc2c(C1)c1c(ncnc1s2)N1CCN(CC1)CC#N

STK544139
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(1Z)- 1- (3,4- dichlorophenyl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C(\c1ccc(c(c1)Cl)Cl)/C

STK544140
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N,N- diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK544144
Synonyms: 9'- bromo- 2'- (4- methoxyphenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC12CCC(CC1)c1ccccc1

STK544146
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)- 8- (2- methyl- 5- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxylate
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cc(ccc1C)[N+](=O)[O-])C=Cc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK544147
Synonyms: N- (4- methylphenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK544148
Synonyms: 2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 6,6- dimethyl- 3- (2- phenylethyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Brc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK544149
Synonyms: [3- (4- chlorophenyl)- 5- (furan- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl](4- methylphenyl)methanone
Smiles: Cc1ccc(cc1)C(=O)N1N=C(CC1c1ccco1)c1ccc(cc1)Cl

STK544151
Synonyms: 2- cyclopropyl- N'- {(1Z,2Z)- 2- methyl- 3- [4- (propan- 2- yl)phenyl]prop- 2- en- 1- ylidene}quinoline- 4- carbohydrazide
Smiles: C/C(=C/c1ccc(cc1)C(C)C)/C=N\NC(=O)c1cc(nc2c1cccc2)C1CC1

STK544152
Synonyms: N- (3,4- dimethylphenyl)- 10- methyl- 11- (3- nitrophenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1cccc(c1)[N+](=O)[O-])n1c(=N2)c(Nc2ccc(c(c2)C)C)nc2c1cccc2)c1ccccc1

STK544153
Synonyms: N- {1,1,1,3,3,3- hexafluoro- 2- [(4- fluoro- 1,3- benzothiazol- 2- yl)amino]propan- 2- yl}- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(n1)c(F)ccc2

STK544154
Synonyms: 3- [(4- methoxybenzyl)sulfanyl]- 5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: COc1ccc(cc1)CSc1nnc2n1c(C)nc1c2c2CC(C)(C)OCc2s1

STK544155
Synonyms: (8S,8aR,11aS)- N- (4- chlorophenyl)- 10- (2- methoxy- 5- nitrophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2ccc(cc2)Cl)C=Cc2c1cccc2)[N+](=O)[O-]

STK544156
Synonyms: 1- (4- bromophenyl)- 2- phenyl- 1H- imidazo[4,5- b]quinoxaline
Smiles: Brc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1ccccc1

STK544157
Synonyms: 1- [5- (2,3- dimethoxyphenyl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 2- (piperidin- 1- yl)ethanone
Smiles: COc1c(OC)cccc1C1CC(=NN1C(=O)CN1CCCCC1)c1cccs1

STK544158
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)- 8- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxylate
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)[N+](=O)[O-])C=Cc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK544159
Synonyms: 2- {[7,7- dimethyl- 5- oxo- 4- (2- phenylethyl)- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(C)C

STK544161
Synonyms: 1- [3,5- bis(4- bromophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 3- (piperidin- 1- yl)propan- 1- one
Smiles: Brc1ccc(cc1)C1CC(=NN1C(=O)CCN1CCCCC1)c1ccc(cc1)Br

STK544164
Synonyms: (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methylN- [(4- methylphenyl)sulfonyl]glycinate
Smiles: O=C(CNS(=O)(=O)c1ccc(cc1)C)OCN1C(=O)c2c(C1=O)cccc2

STK544165
Synonyms: methyl2- {[(3- methoxynaphthalen- 2- yl)carbonyl]amino}- 4- methyl- 5- phenylthiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)c2cc3ccccc3cc2OC)sc(c1C)c1ccccc1

STK544166
Synonyms: N- [4- ({3- [(2,4- dimethoxyphenyl)amino]quinoxalin- 2- yl}sulfamoyl)phenyl]acetamide
Smiles: COc1cc(OC)ccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)NC(=O)C

STK544168
Synonyms: 4- fluoro- N- [1- (4- methoxybenzyl)- 3- (phenylsulfonyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]benzenesulfonamide
Smiles: COc1ccc(cc1)Cn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)F)S(=O)(=O)c1ccccc1

STK544169
Synonyms: N- benzyl- 2- {[6,6- dimethyl- 3- (3- methylphenyl)- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C

STK544172
Synonyms: (4Z)- 5- (4- chlorophenyl)- 4- (1- hydroxyethylidene)- 1- [3- (morpholin- 4- yl)propyl]pyrrolidine- 2,3- dione
Smiles: Clc1ccc(cc1)C1N(CCCN2CCOCC2)C(=O)C(=O)/C/1=C(\O)/C

STK544173
Synonyms: (1E)- N- hydroxy- 2- [(1E)- N- hydroxyethanimidoyl]cyclopentanimine
Smiles: O/N=C(/C1CCC/C/1=N\O)\C

STK544174
Synonyms: 6- methyl- 5- [4- (propan- 2- yloxy)benzyl]- 2- sulfanylpyrimidin- 4- ol
Smiles: CC(Oc1ccc(cc1)Cc1c(C)nc(nc1O)S)C

STK544175
Synonyms: 9- ethyl- 2,2- dimethyl- 5- (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: CCn1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544176
Synonyms: 10- methyl- N- (2- methylphenyl)- 11- (3- nitrophenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1ccccc1Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)[N+](=O)[O-])c(nn1c1ccccc1)C

STK544177
Synonyms: 2- {[8,8- dimethyl- 3- (4- methylphenyl)- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (furan- 2- ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)C

STK544178
Synonyms: 1- (3- methoxyphenyl)- 2- (4- nitrophenyl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: COc1cccc(c1)n1c(nc2c1nc1ccccc1n2)c1ccc(cc1)[N+](=O)[O-]

STK544179
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(E)- (2,3- dichlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1cccc(c1Cl)Cl

STK544180
Synonyms: 2,6- dimethyl- N,N',4- triphenyl- 1,4- dihydropyridine- 3,5- dicarboxamide
Smiles: O=C(C1=C(C)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1)C)Nc1ccccc1

STK544181
Synonyms: 4- (2- phenylethyl)- 7- (propan- 2- yl)- 1- (prop- 2- en- 1- ylsulfanyl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: C=CCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C

STK544183
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 8- {[4- (propan- 2- yloxy)benzyl]sulfanyl}- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CC(Oc1ccc(cc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C

STK544184
Synonyms: 2- {[7,7- dimethyl- 5- oxo- 4- (2- phenylethyl)- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- (pyridin- 2- yl)acetamide
Smiles: O=C(Nc1ccccn1)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(C)C

STK544186
Synonyms: (2E)- 1- {3- (4- bromophenyl)- 5- [4- (dimethylamino)phenyl]- 4,5- dihydro- 1H- pyrazol- 1- yl}- 3- phenylprop- 2- en- 1- one
Smiles: Brc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)N(C)C)C(=O)/C=C/c1ccccc1

STK544187
Synonyms: ethyl1- amino- 7- benzyl- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c][2,7]naphthyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CCN(Cc1c(n2)N1CCOCC1)Cc1ccccc1

STK544188
Synonyms: (3aR,6aS)- 3- (4- bromophenyl)- 5- (3- fluorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)F

STK544189
Synonyms: N- (4- bromophenyl)- 2- {[3- (2- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK544190
Synonyms: 9- benzyl- 2- (3,4- dimethoxybenzyl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1cc(ccc1OC)Cc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)Cc1ccccc1

STK544192
Synonyms: 1- benzyl- 9'- bromo- 2'- (2- chlorophenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)Cc1ccccc1)c1ccccc1Cl

STK544194
Synonyms: N'- [(E)- (2- bromophenyl)methylidene]- 2- [4- (4- chlorobenzyl)piperazin- 1- yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1ccccc1Br

STK544195
Synonyms: 2,2'- [(4- ethoxy- 3- nitrobenzyl)imino]diethanol
Smiles: OCCN(Cc1ccc(c(c1)[N+](=O)[O-])OCC)CCO

STK544196
Synonyms: 11- (2- methylpropyl)- 3- (pentylsulfanyl)- 7,8,9,10- tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCCCCSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)CC(C)C

STK544197
Synonyms: N- hexyl- 4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCCCCCNc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544198
Synonyms: N- [4- (acetylamino)phenyl]- 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK544199
Synonyms: 2- imino- 1- (4- methoxybenzyl)- 10- methyl- 5- oxo- N- (prop- 2- en- 1- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: C=CCNC(=O)c1cc2c(n(c1=N)Cc1ccc(cc1)OC)nc1n(c2=O)cccc1C

STK544200
Synonyms: 3- [(Z)- (3- hexyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 2- (thiomorpholin- 4- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C1=O

STK544201
Synonyms: 2- [4- (6- bromo- 4- phenylquinolin- 2- yl)phenoxy]- N'- [(E)- (2- chloro- 6,7- dimethoxyquinolin- 3- yl)methylidene]acetohydrazide
Smiles: COc1cc2nc(Cl)c(cc2cc1OC)/C=N/NC(=O)COc1ccc(cc1)c1nc2ccc(cc2c(c1)c1ccccc1)Br

STK544204
Synonyms: ethyl5- chloro- 3- {[(3,4- dichlorophenyl)carbamoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Nc1ccc(c(c1)Cl)Cl)cc(cc2)Cl

STK544205
Synonyms: N- (3,5- dimethylphenyl)- 11- (4- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Fc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(C)cc(c1)C)nc1c2cccc1

STK544206
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (3,4- dichlorophenyl)- 5,6- dimethylthieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2sc(c(c2c(=O)n1c1ccc(c(c1)Cl)Cl)C)C

STK544207
Synonyms: N- butyl- 5- (furan- 2- yl)- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK544208
Synonyms: N'- [(E)- (3- ethoxy- 2- hydroxyphenyl)methylidene]- 2- [(4- oxo- 3- phenyl- 3,4- dihydroquinazolin- 2- yl)sulfanyl]acetohydrazide
Smiles: CCOc1cccc(c1O)/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1c1ccccc1

STK544210
Synonyms: 10- methyl- N- (4- methylphenyl)- 11- (3- nitrophenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccc(c1)[N+](=O)[O-])C)c1ccccc1

STK544212
Synonyms: N- (3- chlorophenyl)- 11- (2- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1

STK544213
Synonyms: N- (4- butoxyphenyl)- 11- (2- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCCCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1OC)C)c1ccccc1

STK544215
Synonyms: 2- {[6,6- dimethyl- 4- oxo- 3- (2- phenylethyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (2- methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK544216
Synonyms: 6- bromo- 5- [(3- bromobenzyl)oxy]- 2- tert- butyl- 1- benzofuran- 3- carboxylicacid
Smiles: Brc1cccc(c1)COc1cc2c(cc1Br)oc(c2C(=O)O)C(C)(C)C

STK544217
Synonyms: N- (naphthalen- 1- yl)- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK544218
Synonyms: 6- iodo- 3- (4- methylphenyl)- 2- [(2- phenylethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCCc2ccccc2)nc2c(c1=O)cc(cc2)I

STK544220
Synonyms: N- [1- (2- phenylethyl)- 3- (phenylsulfonyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]benzenesulfonamide
Smiles: O=S(=O)(c1ccccc1)Nc1n(CCc2ccccc2)c2c(c1S(=O)(=O)c1ccccc1)nc1c(n2)cccc1

STK544221
Synonyms: 4- [3'- (4- methoxyphenyl)- 1'- phenyl- 5- (thiophen- 2- yl)- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazol- 2- yl]- 4- oxobutanoicacid
Smiles: COc1ccc(cc1)c1nn(cc1C1CC(=NN1C(=O)CCC(=O)O)c1cccs1)c1ccccc1

STK544222
Synonyms: 2- [(E)- 2- (4- fluorophenyl)ethenyl]- 6- iodo- 3- (4- methylphenyl)quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(/C=C/c2ccc(cc2)F)nc2c(c1=O)cc(cc2)I

STK544223
Synonyms: 2- chloro- 6- methoxy- 3- [3- (4- methylphenyl)- 1- (methylsulfonyl)- 4,5- dihydro- 1H- pyrazol- 5- yl]quinoline
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1S(=O)(=O)C)c1ccc(cc1)C

STK544226
Synonyms: 3,7- bis[(2- methylprop- 2- en- 1- yl)sulfanyl]- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:4',3'- c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=C)C)nn1)CCCC3

STK544227
Synonyms: 2- {[5,6- bis(4- methoxyphenyl)- 1,2,4- triazin- 3- yl]sulfanyl}- N- (4- cyanophenyl)acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2ccc(cc2)C#N)nnc1c1ccc(cc1)OC

STK544228
Synonyms: N- {2- [(1Z)- 1- cyano- 3- phenylbut- 1- en- 1- yl]- 4- phenyl- 1,3- thiazol- 5- yl}propanamide
Smiles: CCC(=O)Nc1sc(nc1c1ccccc1)/C(=C\C(c1ccccc1)C)/C#N

STK544230
Synonyms: 11- (4- bromophenyl)- 3- cyclohexyl- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Brc1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C1CCCCC1

STK544232
Synonyms: ethyl4- {[({5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(o1)CSc1nc2c(s1)cccc2

STK544234
Synonyms: ethyl4- (3- {[3- (ethoxycarbonyl)- 4,5- dimethylthiophen- 2- yl]amino}quinoxalin- 2- yl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2ccccc2nc1Nc1sc(c(c1C(=O)OCC)C)C

STK544235
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(E)- phenylmethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1ccccc1

STK544236
Synonyms: 1- [(2,6- difluorobenzyl)oxy]- 3- phenylquinoxalin- 2(1H)- one4- oxide
Smiles: Fc1cccc(c1COn1c(=O)c(c2ccccc2)[n+](c2c1cccc2)[O-])F

STK544237
Synonyms: 7- benzyl- 8- (but- 3- en- 2- ylsulfanyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CC(Sc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C)C

STK544238
Synonyms: (8S,8aR)- 6- amino- 2- ethyl- 8- (4- methoxynaphthalen- 1- yl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: CCN1CC=C2[C@H](C1)[C@@H](c1ccc(c3c1cccc3)OC)C(C(=C2C#N)N)(C#N)C#N

STK544239
Synonyms: 7- (4- {[4- (benzyloxy)phenyl]carbamothioyl}piperazin- 1- yl)- 1- ethyl- 6- fluoro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1ccc(cc1)OCc1ccccc1)c(c2)F

STK544240
Synonyms: (3aS,6aS)- 5- (1,3- benzodioxol- 5- yl)- 3- (4- nitrophenyl)- 1- phenyl- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: O=C1[C@@H]2C(=NN([C@@H]2C(=O)N1c1ccc2c(c1)OCO2)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK544241
Synonyms: N,N- diethyl- N'- (4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl)ethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)CC

STK544242
Synonyms: (2E)- 2- cyano- 3- [5- (2- nitrophenyl)furan- 2- yl]- N- (quinolin- 5- yl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(o1)c1ccccc1[N+](=O)[O-])/C(=O)Nc1cccc2c1cccn2

STK544243
Synonyms: 5,7- dipropyl- 2- (1,2,3,4- tetrahydroxybutyl)- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: CCCC12CN3CC(C2=O)(CN(C1)C3C(C(C(CO)O)O)O)CCC

STK544244
Synonyms: N- (2,4- dichlorophenyl)- 2- {[5- (2- methylpropyl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)Nc1ccc(cc1Cl)Cl)C

STK544245
Synonyms: N'- [(Z)- (3- bromophenyl)methylidene]- 2- (8- cyclohexyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1)N/N=C\c1cccc(c1)Br

STK544248
Synonyms: 3- (benzylsulfanyl)- 5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1nc2sc3c(c2c2n1c(SCc1ccccc1)nn2)CC(OC3)(C)C

STK544249
Synonyms: 3- (2- chlorophenyl)- 2- [(E)- 2- (2,4- dichlorophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(c(c1)Cl)/C=C/c1nc2ccccc2c(=O)n1c1ccccc1Cl

STK544250
Synonyms: 2- {2- [3,4- dimethoxy- 5- (piperidin- 1- ylsulfonyl)phenyl]ethyl}- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1c(OC)cc(cc1S(=O)(=O)N1CCCCC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK544251
Synonyms: 9'- bromo- 2'- (2- chlorophenyl)- 1- methyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccccc1Cl)Br

STK544253
Synonyms: 1- [(3- methylbutyl)sulfanyl]- 4- (2- phenylethyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(CCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3)C

STK544257
Synonyms: 2- (3- bromophenyl)- 1- (4- butylphenyl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: CCCCc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1cccc(c1)Br

STK544258
Synonyms: 2- amino- N- (4- ethoxyphenyl)- 1- (3- methylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C

STK544259
Synonyms: 7- {[(2Z)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: C/C(=C/CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)/Cl

STK544260
Synonyms: 8- chloro- 3- {[(E)- (2- fluorophenyl)methylidene]amino}- 2- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Clc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccccc1F

STK544261
Synonyms: (4E)- 5- [4- (dimethylamino)phenyl]- 4- [hydroxy(4- methoxyphenyl)methylidene]- 1- [3- (morpholin- 4- yl)propyl]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CCCN1CCOCC1)/O

STK544262
Synonyms: (6aS,6bR,9aS,10R)- 10- (1H- benzotriazol- 1- ylcarbonyl)- 8- (4- methylphenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK544263
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)- 8- (2- methyl- 4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxylate
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1C)[N+](=O)[O-])C=Cc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK544265
Synonyms: ethyl2- ({[(4- oxo- 3- phenyl- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccccc2)CCC4)sc2c1CCCC2

STK544267
Synonyms: 8- (2- ethylphenyl)- 9- (propylsulfanyl)- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: CCCSc1nc2sc3c(c2c(=O)n1c1ccccc1CC)CCc1c3cccc1

STK544268
Synonyms: (2Z)- N- (4- chlorophenyl)- 2- cyano- 2- [5- (4- ethoxybenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: CCOc1ccc(cc1)CC1S/C(=C(\C(=O)Nc2ccc(cc2)Cl)/C#N)/N(C1=O)c1ccccc1

STK544269
Synonyms: 4- (3- methylphenyl)- 7- (propan- 2- yl)- 1- {[4- (propan- 2- yloxy)benzyl]sulfanyl}- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(Oc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)C(C)C)C

STK544273
Synonyms: 2,5- dichloro- N- {3- [(3,4- dimethoxyphenyl)amino]quinoxalin- 2- yl}benzenesulfonamide
Smiles: COc1cc(ccc1OC)Nc1nc2ccccc2nc1NS(=O)(=O)c1cc(Cl)ccc1Cl

STK544274
Synonyms: ethyl6- bromo- 2- {[4- (2- hydroxyethyl)piperazin- 1- yl]methyl}- 5- methoxy- 1- phenyl- 1H- indole- 3- carboxylate
Smiles: OCCN1CCN(CC1)Cc1n(c2ccccc2)c2c(c1C(=O)OCC)cc(c(c2)Br)OC

STK544275
Synonyms: (6aR,6bS,9aR,10S)- 8- (4- acetylphenyl)- 10- [(3- nitrophenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccccc1C=C2)c1ccc(cc1)C(=O)C)c1cccc(c1)[N+](=O)[O-]

STK544276
Synonyms: 3- (2- methylphenyl)- 2- (3- nitrobenzyl)quinazolin- 4(3H)- one
Smiles: O=c1n(c(Cc2cccc(c2)[N+](=O)[O-])nc2c1cccc2)c1ccccc1C

STK544277
Synonyms: 2- amino- 1- benzyl- N- cyclopropyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: O=C(c1c2nc3ccccc3nc2n(c1N)Cc1ccccc1)NC1CC1

STK544278
Synonyms: 3- [(4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl)amino]propan- 1- ol
Smiles: OCCCNc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544279
Synonyms: 4- [4- (pentyloxy)phenyl]- 1,3- diphenyl- 4,8- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7(6H)- one
Smiles: CCCCCOc1ccc(cc1)C1SCC(=O)Nc2c1c(nn2c1ccccc1)c1ccccc1

STK544280
Synonyms: N- (3- fluorophenyl)- 10- methyl- 8- phenyl- 11- (thiophen- 2- yl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Fc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccs1)C)c1ccccc1

STK544281
Synonyms: N'- {(E)- [4- (benzyloxy)- 3- methoxyphenyl]methylidene}- 2- (4- benzylpiperazin- 1- yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CN2CCN(CC2)Cc2ccccc2)ccc1OCc1ccccc1

STK544282
Synonyms: 3- benzyl- 2- [(Z)- (1,5- dimethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C\1/c2cc(C)ccc2N(C1=O)C)Cc1ccccc1

STK544283
Synonyms: N- (4- methoxyphenyl)- 2- [(5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c(C)nc1c2c2CC(C)(C)OCc2s1

STK544285
Synonyms: N- (4- methoxyphenyl)- 2- {[5- oxo- 4- (2- phenylethyl)- 7- (propan- 2- yl)- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C

STK544286
Synonyms: 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 3- (2- phenylethyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(=C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)C(C)C

STK544287
Synonyms: N- [1- (1H- benzimidazol- 2- yl)- 3- (methylsulfanyl)propyl]- 3,5- dinitrobenzamide
Smiles: CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK544288
Synonyms: 2- amino- 1- (4- fluorobenzyl)- N- (3- fluorophenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Fc1ccc(cc1)Cn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cccc(c1)F

STK544290
Synonyms: N- (4- {[11- (3,4- dimethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}phenyl)acetamide
Smiles: COc1cc(ccc1OC)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(cc1)NC(=O)C)nc1c2cccc1

STK544292
Synonyms: butyl(4- hydroxy- 6- methyl- 2- sulfanylpyrimidin- 5- yl)acetate
Smiles: CCCCOC(=O)Cc1c(C)nc(nc1O)S

STK544293
Synonyms: diphenylmethyl(1'R,2'S,3R)- 2'- [(4- bromophenyl)carbonyl]- 2- oxo- 1,1',2,2'- tetrahydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinoline]- 1'- carboxylate
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STK544294
Synonyms: 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK544295
Synonyms: N- (4- butylphenyl)- 11- (4- chlorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)Cl)c(nn1c1ccccc1)C

STK544297
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N'- {(E)- [4- (benzyloxy)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nc2c(o1)cccc2)N/N=C/c1ccc(cc1)OCc1ccccc1

STK544299
Synonyms: 3- (4- methylphenyl)- 2- [(E)- 2- (4- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK544300
Synonyms: 2- [(3- cyclohexyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)CCCCC3

STK544301
Synonyms: N'- [5- (4- fluorophenyl)thieno[2,3- d]pyrimidin- 4- yl]- N,N- dimethylpropane- 1,3- diamine
Smiles: CN(CCCNc1ncnc2c1c(cs2)c1ccc(cc1)F)C

STK544302
Synonyms: 2- (benzylsulfanyl)- 6- iodo- 3- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCc2ccccc2)nc2c(c1=O)cc(cc2)I

STK544303
Synonyms: (4- chlorophenyl)[(1R,2S,3R,3aR)- 2- (4- methoxyphenyl)- 3- nitro- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinolin- 1- yl]methanone
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccc(cc2)Cl)N2[C@@H]([C@@H]1[N+](=O)[O-])C=Cc1c2cccc1

STK544304
Synonyms: N- (4- chlorophenyl)- 2- {[3- (3,4- dichlorophenyl)- 5,6- dimethyl- 4- oxo- 3,4- dihydrothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2sc(c(c2c(=O)n1c1ccc(c(c1)Cl)Cl)C)C

STK544305
Synonyms: 7,8- dimethoxy- 3- {[(E)- (4- methoxyphenyl)methylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc(cc1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(c(c1)OC)OC

STK544307
Synonyms: 11- (5- bromofuran- 2- yl)- N- (4- ethoxyphenyl)- 10- methyl- 8- phenyl- 7a,8,10a,11- tetrahydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=NC1N(N=C(C1C2c1ccc(o1)Br)C)c1ccccc1

STK544309
Synonyms: (9E)- 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 9- (4- methoxybenzylidene)- 5- (4- methoxyphenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)/C(=C/c1ccc(cc1)OC)/CCC2

STK544310
Synonyms: 3- [4- (decyloxy)phenyl]- 1- hydroxyquinoxalin- 2(1H)- one4- oxide
Smiles: CCCCCCCCCCOc1ccc(cc1)c1c(=O)n(O)c2c([n+]1[O-])cccc2

STK544311
Synonyms: 6- iodo- 3- (2- methylphenyl)- 2- (methylsulfanyl)quinazolin- 4(3H)- one
Smiles: CSc1nc2ccc(cc2c(=O)n1c1ccccc1C)I

STK544312
Synonyms: 4- (2- methoxyphenyl)- 5- (thiophen- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1n1c(=S)[nH]nc1c1cccs1

STK544313
Synonyms: 4- (4- chlorophenyl)- N,1- bis(4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carbothioamide
Smiles: Cc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccc(cc1)C)cc3c1ccc(cc1)Cl

STK544315
Synonyms: 8- chloro- 4- (3,4- dihydroisoquinolin- 2(1H)- yl)- 5H- pyrimido[5,4- b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCc2c(C1)cccc2

STK544317
Synonyms: dibutyl[(phenylamino)(3,4,5- trimethoxyphenyl)methyl]phosphonate
Smiles: CCCCOP(=O)(C(c1cc(OC)c(c(c1)OC)OC)Nc1ccccc1)OCCCC

STK544318
Synonyms: 2- {[6,6- dimethyl- 3- (4- methylphenyl)- 4- oxo- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK544319
Synonyms: 2- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 9- benzyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c2nc(nn2cn1)CSc1nc2c(s1)cccc2

STK544320
Synonyms: 3- (acetylamino)- 5- phenylthiophen- 2- ylthiocyanate
Smiles: N#CSc1sc(cc1NC(=O)C)c1ccccc1

STK544321
Synonyms: 9'- bromo- 1- propyl- 2'- (thiophen- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1cccs1)Br

STK544322
Synonyms: 3- benzyl- 2- [(Z)- (5- bromo- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/1\C(=O)Nc2c1cc(Br)cc2)Cc1ccccc1

STK544324
Synonyms: 2- {2- [3- (azepan- 1- ylsulfonyl)- 4,5- dimethoxyphenyl]ethyl}- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1c(OC)cc(cc1S(=O)(=O)N1CCCCCC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK544326
Synonyms: 2- [(4- methoxybenzyl)sulfanyl]butanedioicacid
Smiles: COc1ccc(cc1)CSC(C(=O)O)CC(=O)O

STK544328
Synonyms: (4Z)- 5- (4- chlorophenyl)- 1- hexadecyl- 4- (1- hydroxyethylidene)pyrrolidine- 2,3- dione
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccc(cc1)Cl

STK544330
Synonyms: N- (3,5- dichlorophenyl)- 11- (3,4- dimethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cc(ccc1OC)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(Cl)cc(c1)Cl)nc1c2cccc1

STK544331
Synonyms: ethyl5- fluoro- 3- {[3- (morpholin- 4- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCOCC1)cc(cc2)F

STK544333
Synonyms: 2- [4- (2- hydroxyethyl)piperazin- 1- yl]- 9- methyl- 3- [(Z)- (4- oxo- 3- pentyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)CCO)/C1=O

STK544335
Synonyms: 3- [2- (4- fluorophenyl)ethyl]- 7,8- dimethoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncn(c1=O)CCc1ccc(cc1)F

STK544337
Synonyms: 2,5- dichloro- N- {3- [(2,4- dichlorophenyl)amino]quinoxalin- 2- yl}benzenesulfonamide
Smiles: Clc1ccc(c(c1)Cl)Nc1nc2ccccc2nc1NS(=O)(=O)c1cc(Cl)ccc1Cl

STK544338
Synonyms: 1- (4- methylphenyl)- 2- (4- nitrophenyl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: Cc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1ccc(cc1)[N+](=O)[O-]

STK544339
Synonyms: 4- [(E)- hydroxy{1- [2- (morpholin- 4- yl)ethyl]- 4,5- dioxo- 2- (pyridin- 4- yl)pyrrolidin- 3- ylidene}methyl]- N,N- dimethylbenzenesulfonamide
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccncc1)CCN1CCOCC1)/c1ccc(cc1)S(=O)(=O)N(C)C

STK544341
Synonyms: 5- {4- [(3,4- dichlorophenyl)amino]phthalazin- 1- yl}- 2- methyl- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)NCc1cccnc1)c1nnc(c2c1cccc2)Nc1ccc(c(c1)Cl)Cl

STK544342
Synonyms: (4E)- 5- (4- chlorophenyl)- 4- [hydroxy(4- methoxyphenyl)methylidene]- 1- [3- (morpholin- 4- yl)propyl]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCCN1CCOCC1)/O

STK544343
Synonyms: (4E)- 4- [furan- 2- yl(hydroxy)methylidene]- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)- 5- (naphthalen- 1- yl)pyrrolidine- 2,3- dione
Smiles: Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccco2)/O)/C1c1cccc2c1cccc2

STK544344
Synonyms: N,N- dibutyl- 2- [(4- methyl- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]acetamide
Smiles: CCCCN(C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CCCC3)CCCC

STK544345
Synonyms: 6- amino- 4- (2- chloro- 6- fluorophenyl)- 1- methyl- 3- propyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCCc1nn(c2c1C(C(=C(O2)N)C#N)c1c(F)cccc1Cl)C

STK544346
Synonyms: 2- benzyl- 1- hydroxy- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(C)c(Cc2ccccc2)c(n2c1nc1c2cccc1)O

STK544348
Synonyms: (4- bromophenyl)[5- (furan- 2- yl)- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: Brc1ccc(cc1)C(=O)N1N=C(CC1c1ccco1)c1ccccc1

STK544349
Synonyms: N- ({4- [(3- methoxypyrazin- 2- yl)sulfamoyl]phenyl}carbamothioyl)pyridine- 3- carboxamide
Smiles: COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1cccnc1

STK544350
Synonyms: 10- bromo- 3,11b- dihydro- 2H,6H- chromeno[4',3':4,5]thiopyrano[2,3- d][1,3]thiazol- 2- one
Smiles: Brc1ccc2c(c1)C1C(=CSc3c1sc(=O)[nH]3)CO2

STK544351
Synonyms: 4- {(1Z)- 1- [2- ([1,2,4]triazolo[4,3- b]pyridazin- 6- yl)hydrazinylidene]ethyl}aniline
Smiles: Nc1ccc(cc1)/C(=N\Nc1ccc2n(n1)cnn2)/C

STK544352
Synonyms: (6aS,6bR,9aS,10R)- 10- (1H- benzotriazol- 1- ylcarbonyl)- 8- (4- fluorophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK544353
Synonyms: 11- (4- chlorophenyl)- N- (3- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)Cl)C)c1ccccc1

STK544354
Synonyms: 11- (4- ethoxyphenyl)- N- (3- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cccc(c1)F)nc1c2cccc1

STK544355
Synonyms: N- (furan- 2- ylmethyl)- 2- {[5- (propan- 2- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}acetamide
Smiles: O=C(NCc1ccco1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C

STK544356
Synonyms: N- (1,3- benzodioxol- 5- yl)- 10- methyl- 11- (3- nitrophenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1cccc(c1)[N+](=O)[O-])n1c(=N2)c(Nc2ccc3c(c2)OCO3)nc2c1cccc2)c1ccccc1

STK544359
Synonyms: 2,4- dichloro- N- {2- [(5- chloro- 4- methyl- 1,3- benzothiazol- 2- yl)amino]- 1,1,1,3,3,3- hexafluoropropan- 2- yl}benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(n1)c(C)c(cc2)Cl

STK544361
Synonyms: (4E)- 5- (4- ethoxyphenyl)- 4- (1- hydroxyethylidene)- 1- (pyridin- 3- ylmethyl)pyrrolidine- 2,3- dione
Smiles: CCOc1ccc(cc1)C1/C(=C(\O)/C)/C(=O)C(=O)N1Cc1cccnc1

STK544362
Synonyms: 4- (2- phenylethyl)- 1- (propylsulfanyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3

STK544363
Synonyms: (3aS,6aS)- 3- (4- methoxyphenyl)- 5- (4- methylphenyl)- 1- phenyl- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C)c1ccccc1

STK544364
Synonyms: 4- chloro- N- {1,1,1,3,3,3- hexafluoro- 2- [(3- methyl- 1- phenyl- 1H- pyrazol- 5- yl)amino]propan- 2- yl}benzamide
Smiles: Clc1ccc(cc1)C(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1cc(nn1c1ccccc1)C

STK544366
Synonyms: methyl(1S,2S,3S)- 2- (4- bromophenyl)- 3- [(4- chlorophenyl)carbamoyl]- 1- cyano- 1,2,3,10b- tetrahydropyrrolo[2,1- a]isoquinoline- 1- carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl

STK544367
Synonyms: ethyl5- methoxy- 3- [(methylcarbamothioyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NC)cc(cc2)OC

STK544368
Synonyms: 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 3- (2- phenylethyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)CCc1ccccc1)SCC(=O)c1ccccc1)C

STK544370
Synonyms: 3- {[(E)- (2- hydroxy- 3,5- diiodophenyl)methylidene]amino}- 2- methylquinazolin- 4(3H)- one
Smiles: Ic1cc(/C=N/n2c(C)nc3c(c2=O)cccc3)c(c(c1)I)O

STK544371
Synonyms: 1- (4- methoxy- 3- nitrobenzyl)- 2- methyl- 4- nitro- 1H- imidazole
Smiles: COc1ccc(cc1[N+](=O)[O-])Cn1cc(nc1C)[N+](=O)[O-]

STK544372
Synonyms: (1Z)- 1- (3,4- dimethoxyphenyl)- N- [(10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)methoxy]ethanimine
Smiles: COc1cc(ccc1OC)/C(=N\OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2)/C

STK544373
Synonyms: 3- [(Z)- (3- cyclohexyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 2- (thiomorpholin- 4- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C(=O)N1C1CCCCC1

STK544374
Synonyms: 4- chloro- N- {3- [(4- methylphenyl)sulfonyl]- 1- (1- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)Cl)n(c2c1nc1ccccc1n2)C(c1ccccc1)C

STK544376
Synonyms: N- (2- chlorophenyl)- 12- propyl- 9,10- dihydro- 9,10- ethanoanthracene- 11- carboxamide
Smiles: CCCC1C2c3ccccc3C(C1C(=O)Nc1ccccc1Cl)c1c2cccc1

STK544378
Synonyms: (2Z)- 2- [5- (4- methylbenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- 3- (4- methylpiperidin- 1- yl)- 3- oxopropanenitrile
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)C)/C(=O)N1CCC(CC1)C

STK544379
Synonyms: 4- chloro- N- ({4- [(3- methoxypyrazin- 2- yl)sulfamoyl]phenyl}carbamothioyl)benzamide
Smiles: COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)Cl

STK544380
Synonyms: (1E)- 1- (diphenylphosphoryl)- 1- (2- phenylhydrazinylidene)propan- 2- one
Smiles: CC(=O)/C(=N\Nc1ccccc1)/P(=O)(c1ccccc1)c1ccccc1

STK544381
Synonyms: N- benzyl- 5- (piperidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: C1CCN(CC1)c1nc2sc3c(c2c2c1CCCC2)ncnc3NCc1ccccc1

STK544382
Synonyms: 9- phenyl- 2- [3- (trifluoromethyl)phenyl]tetrahydro- 5H- pyrazolo[1,2- a]pyrrolo[3,4- c]pyrazole- 1,3(2H,3aH)- dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)C2C1C(c1ccccc1)N1N2CCC1

STK544383
Synonyms: 5- (3- nitrophenyl)- N,3- diphenyl- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: S=C(N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccccc1)Nc1ccccc1

STK544384
Synonyms: (3aS,6aS)- 3- (4- bromophenyl)- 5- (4- butoxyphenyl)- 1- phenyl- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)N(N=C2c1ccc(cc1)Br)c1ccccc1

STK544385
Synonyms: 3- (3- methoxyphenyl)- 2- [(3- methylbutyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: COc1cccc(c1)n1c(SCCC(C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK544386
Synonyms: 2- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nc(n2)CSc1nc2c(s1)cccc2

STK544387
Synonyms: N'- [(1Z)- 1- (3,4- dimethoxyphenyl)ethylidene]- 2- [4- (4- methylbenzyl)piperazin- 1- yl]acetohydrazide
Smiles: COc1cc(ccc1OC)/C(=N\NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C)/C

STK544388
Synonyms: 2,6- bis(4- chlorophenyl)- 3,4- dimethyl- 5- propylpiperidin- 4- ol
Smiles: CCCC1C(NC(C(C1(C)O)C)c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK544389
Synonyms: 2- (butylsulfanyl)- 6- iodo- 3- (2- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCCCSc1nc2ccc(cc2c(=O)n1c1ccccc1OC)I

STK544390
Synonyms: [5- (furan- 2- yl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](4- methylphenyl)methanone
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccc(cc1)C

STK544391
Synonyms: 2- {[6,6- dimethyl- 4- oxo- 3- (2- phenylethyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK544392
Synonyms: (4Z)- 5- (2- fluorophenyl)- 4- [(2E)- 1- hydroxy- 3- phenylprop- 2- en- 1- ylidene]- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: O/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/C=C/c1ccccc1

STK544394
Synonyms: 6- iodo- 3- phenyl- 2- (propylsulfanyl)quinazolin- 4(3H)- one
Smiles: CCCSc1nc2ccc(cc2c(=O)n1c1ccccc1)I

STK544395
Synonyms: ethyl5- [2- (4- fluorophenyl)- 2- oxoethoxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)F)cc2

STK544396
Synonyms: 6- [(2E)- 2- (2- chloro- 6- fluorobenzylidene)hydrazinyl][1,2,4]triazolo[4,3- b]pyridazine
Smiles: Fc1cccc(c1/C=N/Nc1ccc2n(n1)cnn2)Cl

STK544397
Synonyms: 5- [4- (3- chlorophenyl)- 5- phenyl- 1H- imidazol- 2- yl]- 2- methoxyphenol
Smiles: COc1ccc(cc1O)c1nc(c([nH]1)c1ccccc1)c1cccc(c1)Cl

STK544399
Synonyms: N- {2- [(5- chloro- 4- methyl- 1,3- benzothiazol- 2- yl)amino]- 1,1,1,3,3,3- hexafluoropropan- 2- yl}- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(n1)c(C)c(cc2)Cl

STK544401
Synonyms: 2- {[5- (3,4- dimethoxyphenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (5- methylfuran- 2- yl)methylidene]acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C/c1ccc(o1)C

STK544402
Synonyms: (4E)- 4- (1- hydroxyethylidene)- 1- (2- methoxyethyl)- 5- (4- methylphenyl)pyrrolidine- 2,3- dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccc(cc1)C

STK544403
Synonyms: 2- (ethylsulfanyl)- 3- (2- phenylethyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)C(C)C

STK544404
Synonyms: 3- [(Z)- (3- cyclopentyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 9- methyl- 2- (4- methylpiperazin- 1- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCC1

STK544405
Synonyms: 2- [(4- amino- 6- ethyl- 6- methyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- methyl- N- phenylacetamide
Smiles: CCC1(C)OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)N(c1ccccc1)C

STK544406
Synonyms: 6- {(2E)- 2- [1- (furan- 2- yl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3- b]pyridazine
Smiles: C/C(=N\Nc1ccc2n(n1)cnn2)/c1ccco1

STK544407
Synonyms: N- methyl- 2- {[3- (3- methylphenyl)- 4- oxo- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCC(=O)N(c1ccccc1)C)C

STK544409
Synonyms: [5- (4- chlorophenyl)furan- 2- yl][4- (4- methylphenyl)piperazin- 1- yl]methanethione
Smiles: Cc1ccc(cc1)N1CCN(CC1)C(=S)c1ccc(o1)c1ccc(cc1)Cl

STK544410
Synonyms: ethyl7- (3- chlorophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: CCOC(=O)C1=NNC2(C1)CC(=O)N(C2=O)c1cccc(c1)Cl

STK544411
Synonyms: [5- (2- chloro- 7- methoxyquinolin- 3- yl)- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl](phenyl)methanone
Smiles: COc1ccc2c(c1)nc(c(c2)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1)Cl

STK544412
Synonyms: N- (4- {[10- methyl- 8- phenyl- 11- (thiophen- 2- yl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccs2)c(nn1c1ccccc1)C

STK544413
Synonyms: 4- [3- (3,4- dimethoxyphenyl)- 5- (4- fluorophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: COc1cc(ccc1OC)C1=NN(C(C1)c1ccc(cc1)F)C(=O)CCC(=O)O

STK544414
Synonyms: (2E)- 3- (4- fluorophenyl)- N- [(2- methylquinolin- 8- yl)carbamothioyl]prop- 2- enamide
Smiles: O=C(NC(=S)Nc1cccc2c1nc(C)cc2)/C=C/c1ccc(cc1)F

STK544415
Synonyms: 3- {(Z)- [3- (furan- 2- ylmethyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 2- [(3- hydroxypropyl)amino]- 7- methyl- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: OCCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccco1)C

STK544416
Synonyms: 1- methyl- 2'- [4- (propan- 2- yl)phenyl]- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)C(C)C

STK544417
Synonyms: 9- (4- bromophenyl)- 2- (naphthalen- 1- yl)tetrahydro- 5H- pyrazolo[1,2- a]pyrrolo[3,4- c]pyrazole- 1,3(2H,3aH)- dione
Smiles: Brc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1cccc2c1cccc2

STK544419
Synonyms: 9'- bromo- 2'- (2- chlorophenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1ccccc1Cl

STK544420
Synonyms: 1- (pentylsulfanyl)- 4- (2- phenylethyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCCCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3

STK544423
Synonyms: 11- (4- ethoxyphenyl)- N- (2- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccccc1OC)nc1c2cccc1

STK544424
Synonyms: (2E)- 3- (quinoxalin- 6- yl)- 1- (thiophen- 2- yl)prop- 2- en- 1- one
Smiles: O=C(c1cccs1)/C=C/c1ccc2c(c1)nccn2

STK544425
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- [(2E)- 5- methylhexan- 2- ylidene]acetohydrazide
Smiles: CC(CC/C(=N/NC(=O)CSc1nc2c(s1)cccc2)/C)C

STK544426
Synonyms: 2- amino- 1- (4- chlorophenyl)- N- (3- fluorophenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Clc1ccc(cc1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)Nc1cccc(c1)F

STK544427
Synonyms: (4Z)- 5- (4- fluorophenyl)- 4- (1- hydroxyethylidene)- 1- [3- (morpholin- 4- yl)propyl]pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)C1N(CCCN2CCOCC2)C(=O)C(=O)/C/1=C(\O)/C

STK544430
Synonyms: 2- [4- (2- chlorobenzyl)piperazin- 1- yl]- N'- [(E)- (2- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1Cl

STK544431
Synonyms: 2- cyano- N- cyclohexyl- 2- [3- (dibutylamino)quinoxalin- 2- yl]acetamide
Smiles: CCCCN(c1nc2ccccc2nc1C(C(=O)NC1CCCCC1)C#N)CCCC

STK544432
Synonyms: 7- (2- chlorobenzyl)- 3- methyl- 8- [(naphthalen- 2- ylmethyl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccccc1Cn1c(SCc2ccc3c(c2)cccc3)nc2c1c(=O)[nH]c(=O)n2C

STK544433
Synonyms: 2- [(3- hydroxypropyl)amino]- 7- methyl- 3- {(Z)- [4- oxo- 3- (tetrahydrofuran- 2- ylmethyl)- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: OCCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)C

STK544434
Synonyms: 2'- (2,4- dichlorophenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Clc1ccc(c(c1)Cl)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1

STK544435
Synonyms: (8S,8aR,11aS,11bS)- 10- (3,5- dichlorophenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1cc(Cl)cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)N=Cc2c1cccc2

STK544436
Synonyms: 11- (3- bromophenyl)- 10- methyl- 8- phenyl- N- [3- (trifluoromethyl)phenyl]- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Brc1cccc(c1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cccc(c1)C(F)(F)F)nc1c2cccc1

STK544437
Synonyms: 2- amino- 4- [3- methoxy- 4- (pentyloxy)phenyl]- 4a,5,6,7- tetrahydronaphthalene- 1,3,3(4H)- tricarbonitrile
Smiles: CCCCCOc1ccc(cc1OC)C1C2CCCC=C2C(=C(C1(C#N)C#N)N)C#N

STK544438
Synonyms: 2- {[5- (3,4- dimethoxyphenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(E)- [4- (trifluoromethyl)phenyl]methylidene}acetohydrazide
Smiles: CCn1c(SCC(=O)N/N=C/c2ccc(cc2)C(F)(F)F)nnc1c1ccc(c(c1)OC)OC

STK544439
Synonyms: (4E)- 5- (2- fluorophenyl)- 4- (1- hydroxyethylidene)- 1- (2- methoxyethyl)pyrrolidine- 2,3- dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccccc1F

STK544440
Synonyms: 8- (4- methoxyphenyl)- 6- phenyl- 3,4a,7a,8- tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3- d][1,3]thiazole- 2,5,7(6H)- trione
Smiles: COc1ccc(cc1)C1C2C(Sc3c1sc(=O)[nH]3)C(=O)N(C2=O)c1ccccc1

STK544442
Synonyms: ethyl(8R,8aR)- 6- amino- 5,7,7- tricyano- 8- (5- methylfuran- 2- yl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(o1)C)C(C(=C2C#N)N)(C#N)C#N

STK544443
Synonyms: N'- [(E)- (5- bromo- 2- fluorophenyl)methylidene]- 2- [4- (2- chlorobenzyl)piperazin- 1- yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C/c1cc(Br)ccc1F

STK544444
Synonyms: 2,2'- (1,3,4- thiadiazole- 2,5- diyldisulfanediyl)bis{N'- [(E)- (2- hydroxyphenyl)methylidene]acetohydrazide}
Smiles: O=C(CSc1nnc(s1)SCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O

STK544445
Synonyms: 6- iodo- 3- (2- methoxyphenyl)- 2- (prop- 2- en- 1- ylsulfanyl)quinazolin- 4(3H)- one
Smiles: C=CCSc1nc2ccc(cc2c(=O)n1c1ccccc1OC)I

STK544446
Synonyms: (6aS,6bR,9aS,10R)- 10- (1H- benzotriazol- 1- ylcarbonyl)- 8- (3- chlorophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK544447
Synonyms: 2- (benzylsulfanyl)- 3- (2- methoxyphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: COc1ccccc1n1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK544449
Synonyms: 2- {[6,6- dimethyl- 4- oxo- 3- (2- phenylethyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK544450
Synonyms: N- (4- methylphenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3

STK544451
Synonyms: 2'- (2,4- dichlorophenyl)- 1- methyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1Cl)Cl

STK544452
Synonyms: 4- nitro- N- [1- (2- phenylethyl)- 3- (phenylsulfonyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]benzenesulfonamide
Smiles: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1n(CCc2ccccc2)c2c(c1S(=O)(=O)c1ccccc1)nc1c(n2)cccc1

STK544453
Synonyms: ethyl6- bromo- 5- methoxy- 2- {[(4- methylphenyl)sulfanyl]methyl}- 1- phenyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OC)c(cc2n(c1CSc1ccc(cc1)C)c1ccccc1)Br

STK544454
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(1E,2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/C(=C/c1ccccc1)/C

STK544457
Synonyms: 2- (butylamino)- 3- [(Z)- {3- [2- (3,4- dimethoxyphenyl)ethyl]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene}methyl]- 9- methyl- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC

STK544459
Synonyms: 2- amino- 1- hexyl- N- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCc1ccccc1

STK544460
Synonyms: (6aR,6bS,9aR,10S)- 8- (4- bromophenyl)- 10- [(4- methoxyphenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)Br)C=Cc1c2cccc1

STK544461
Synonyms: (2Z)- 2- [5- (2- chlorobenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- 2- cyano- N- (naphthalen- 1- yl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccccc1Cl)/C(=O)Nc1cccc2c1cccc2

STK544462
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(E)- (2,4- dichlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1ccc(cc1Cl)Cl

STK544463
Synonyms: ethyl4- [(3Z)- 2- (4- chlorophenyl)- 3- (1- hydroxyethylidene)- 4,5- dioxopyrrolidin- 1- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(c2ccc(cc2)Cl)/C(=C(/O)\C)/C(=O)C1=O

STK544464
Synonyms: (8R,8aR)- 6- amino- 8- (2,3- dimethoxyphenyl)- 2- methyl- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1cccc(c1OC)OC)(C#N)C#N

STK544466
Synonyms: (3aS,6aS)- 5- (4- butoxyphenyl)- 3- (4- nitrophenyl)- 1- phenyl- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)N(N=C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK544467
Synonyms: 2- [(E)- (3,5- dimethyl- 1H- pyrazol- 4- yl)diazenyl]- 5- nitrobenzoicacid
Smiles: OC(=O)c1cc(ccc1/N=N/c1c(C)n[nH]c1C)[N+](=O)[O-]

STK544468
Synonyms: (4E)- 5- (2- fluorophenyl)- 1- (4- fluorophenyl)- 4- (1- hydroxyethylidene)pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)N1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccccc1F

STK544469
Synonyms: 1- [3- (4- bromophenyl)- 5- (4- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 3- [4- (2- hydroxyethyl)piperazin- 1- yl]propan- 1- one
Smiles: OCCN1CCN(CC1)CCC(=O)N1N=C(CC1c1ccc(cc1)OC)c1ccc(cc1)Br

STK544470
Synonyms: methyl2- (4- ethylpiperazin- 1- yl)- 5- nitrobenzoate
Smiles: CCN1CCN(CC1)c1ccc(cc1C(=O)OC)[N+](=O)[O-]

STK544471
Synonyms: (6aR,6bS,9aR,10S)- 8- (1,3- benzodioxol- 5- yl)- 10- [(4- bromophenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1

STK544473
Synonyms: N- (3- methylphenyl)- 2- {[3- (2- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK544474
Synonyms: 11- (4- fluorobenzyl)- 2- methyl- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Fc1ccc(cc1)Cn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK544475
Synonyms: 2,5- dichloro- N- {3- [(4- ethylphenyl)amino]quinoxalin- 2- yl}benzenesulfonamide
Smiles: CCc1ccc(cc1)Nc1nc2ccccc2nc1NS(=O)(=O)c1cc(Cl)ccc1Cl

STK544476
Synonyms: 7- [(4- methoxybenzyl)sulfanyl]- 4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: COc1ccc(cc1)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544479
Synonyms: 6- {(2E)- 2- [(3,5- dimethyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]hydrazinyl}[1,2,4]triazolo[4,3- b]pyridazine
Smiles: Cc1nn(c(c1/C=N/Nc1ccc2n(n1)cnn2)C)c1ccccc1

STK544480
Synonyms: N,N- bis(2- chloroethyl)- 4- {(E)- [2- ([1,2,4]triazolo[4,3- b]pyridazin- 6- yl)hydrazinylidene]methyl}aniline
Smiles: ClCCN(c1ccc(cc1)/C=N/Nc1ccc2n(n1)cnn2)CCCl

STK544482
Synonyms: 2- {[4- amino- 6- (propan- 2- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc(N)c2c(n1)sc1c2CC(OC1)C(C)C

STK544484
Synonyms: (2Z)- 2- {5- [2- chloro- 5- (trifluoromethyl)benzyl]- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene}- 2- cyano- N- (3,4- dichlorophenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1cc(ccc1Cl)C(F)(F)F)/C(=O)Nc1ccc(c(c1)Cl)Cl

STK544485
Synonyms: 3- {(Z)- [3- (3- ethoxypropyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 2- [4- (2- hydroxyethyl)piperazin- 1- yl]- 9- methyl- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: OCCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCOCC

STK544486
Synonyms: N- (3,5- dichlorophenyl)- 10- methyl- 8,11- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1cc(cc(c1)Cl)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1)C)c1ccccc1

STK544487
Synonyms: 2'- (2,4- dichlorophenyl)- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Clc1ccc(c(c1)Cl)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)C(C)C

STK544488
Synonyms: ethyl5- chloro- 3- {[(4- fluorophenyl)carbamothioyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)Nc1ccc(cc1)F)cc(cc2)Cl

STK544489
Synonyms: 9- (4- bromophenyl)- 2- (3- chlorophenyl)tetrahydro- 5H- pyrazolo[1,2- a]pyrrolo[3,4- c]pyrazole- 1,3(2H,3aH)- dione
Smiles: Brc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1cccc(c1)Cl

STK544490
Synonyms: ethyl{[2- (4- chlorophenyl)- 1H- indol- 3- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1c([nH]c2c1cccc2)c1ccc(cc1)Cl

STK544491
Synonyms: 2,9- bis(4- bromophenyl)tetrahydro- 5H- pyrazolo[1,2- a]pyrrolo[3,4- c]pyrazole- 1,3(2H,3aH)- dione
Smiles: Brc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(cc1)Br

STK544492
Synonyms: 6- iodo- 3- (4- methylphenyl)- 2- (methylsulfanyl)quinazolin- 4(3H)- one
Smiles: CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)C)I

STK544493
Synonyms: N,N- diethyl- 2- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- 2- oxoacetamide
Smiles: CCN(C(=O)C(=O)c1c(C)n(c2c1cc(OC)cc2)C)CC

STK544494
Synonyms: (2E)- 2- [(3- bromo- 2- hydroxy- 6,7,8,9- tetrahydrodibenzo[b,d]furan- 1- yl)methylidene]hydrazinecarboxamide
Smiles: NC(=O)N/N=C/c1c(O)c(Br)cc2c1c1CCCCc1o2

STK544495
Synonyms: 2,2'- (10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:4',3'- c]pyrimidine- 3,7- diyldisulfanediyl)bis[N- (4- methylphenyl)acetamide]
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)Nc2ccc(cc2)C)nn1)CCCC3

STK544496
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (3- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1cccc(c1)n1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK544497
Synonyms: (6aR,6bS,9aR,10S)- N- (4- chlorophenyl)- 8- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)C=Cc1c2cccc1

STK544499
Synonyms: N- {2- [2- (3,4- dichlorophenyl)hydrazinyl]- 1,1,1,3,3,3- hexafluoropropan- 2- yl}- 2- phenylacetamide
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)NNc1ccc(c(c1)Cl)Cl)Cc1ccccc1

STK544500
Synonyms: 9- methyl- 2- (4- methylpiperazin- 1- yl)- 3- [(Z)- (4- oxo- 3- pentyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)C)/C1=O

STK544501
Synonyms: 2,8- dimethyl- 3- {[(E)- quinolin- 2- ylmethylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Cc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccc2c(n1)cccc2

STK544503
Synonyms: 2- (3- chloro- 4- methylphenyl)- 9- phenyltetrahydro- 5H- pyrazolo[1,2- a]pyrrolo[3,4- c]pyrazole- 1,3(2H,3aH)- dione
Smiles: O=C1N(c2ccc(c(c2)Cl)C)C(=O)C2C1C(c1ccccc1)N1N2CCC1

STK544504
Synonyms: 2- ({5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 4- phenyl- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- 1- [4- (2- hydroxyethyl)piperazin- 1- yl]ethanone
Smiles: OCCN1CCN(CC1)C(=O)CSc1nnc(n1c1ccccc1)CSc1nc2c(s1)cccc2

STK544505
Synonyms: (4E)- 5- (4- chlorophenyl)- 4- [(4- ethoxyphenyl)(hydroxy)methylidene]- 1- (pyridin- 3- ylmethyl)pyrrolidine- 2,3- dione
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)Cc1cccnc1)/O

STK544506
Synonyms: 7- (4- {[4- (butoxycarbonyl)phenyl]carbamothioyl}piperazin- 1- yl)- 1- ethyl- 6- fluoro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK544507
Synonyms: 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: Cc1cccc(c1)n1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK544508
Synonyms: 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK544510
Synonyms: 3- (4- methoxyphenyl)- 2- (2- nitrophenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(=O)c2ccccc2nc1c1ccccc1[N+](=O)[O-]

STK544512
Synonyms: N- {3- [(2- methylphenyl)amino]quinoxalin- 2- yl}- 4- nitrobenzenesulfonamide
Smiles: Cc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

STK544513
Synonyms: benzyl(8S,8aR)- 6- amino- 8- (4- tert- butylphenyl)- 5,7,7- tricyano- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)C(C)(C)C)(C#N)C#N

STK544514
Synonyms: 4- hydroxy- N- (3- methylpyridin- 2- yl)- 2- oxo- 1- propyl- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: CCCn1c2CCCCc2c(c(c1=O)C(=O)Nc1ncccc1C)O

STK544515
Synonyms: N- (4- acetylphenyl)- 1- amino- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)Nc1ccc(cc1)C(=O)C

STK544517
Synonyms: ethyl2- {[3- (4- benzylpiperazin- 1- yl)quinoxalin- 2- yl]amino}- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(CC2)Cc2ccccc2)sc(c1C)C

STK544518
Synonyms: 8- benzyl- 1- [(4- methoxybenzyl)sulfanyl]- 4- (3- methylphenyl)- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCN(C3)Cc1ccccc1

STK544519
Synonyms: (4E)- 4- [hydroxy(4- methoxyphenyl)methylidene]- 1- [3- (morpholin- 4- yl)propyl]- 5- phenylpyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCCN1CCOCC1)/O

STK544520
Synonyms: 4- chloro- N- {2- [(furan- 2- ylmethyl)amino]cyclohexyl}benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1NCc1ccco1

STK544521
Synonyms: 2- (3- nitrobenzyl)- 3- (4- nitrophenyl)quinazolin- 4(3H)- one
Smiles: [O-][N+](=O)c1ccc(cc1)n1c(Cc2cccc(c2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK544522
Synonyms: 3- benzyl- 5- ethyl- 5- methyl- 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)SCC(=C)C)Cc1ccccc1

STK544523
Synonyms: 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- 1- (3- nitrophenyl)ethanone
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544525
Synonyms: 2- (3- bromo- 4- methoxyphenyl)- 5- (4- nitrophenyl)- 4- phenyl- 1H- imidazole
Smiles: COc1ccc(cc1Br)c1nc(c([nH]1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK544526
Synonyms: N- (4- ethoxyphenyl)- 11- (2- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1OC)C)c1ccccc1

STK544527
Synonyms: (4E)- 5- (2,3- dimethoxyphenyl)- 4- [hydroxy(4- methoxy- 2- methylphenyl)methylidene]- 1- (pyridin- 3- ylmethyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)Cc1cccnc1)/O

STK544528
Synonyms: (2E)- 1- (4- bromophenyl)- 3- (5- methoxy- 1- methyl- 1H- indol- 3- yl)prop- 2- en- 1- one
Smiles: COc1ccc2c(c1)c(/C=C/C(=O)c1ccc(cc1)Br)cn2C

STK544530
Synonyms: 3- (4- benzylpiperidin- 1- yl)- 1- [5- (3- nitrophenyl)- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl]propan- 1- one
Smiles: O=C(N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccccc1)CCN1CCC(CC1)Cc1ccccc1

STK544531
Synonyms: N- benzyl- 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}acetamide
Smiles: O=C(NCc1ccccc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544532
Synonyms: (2- chlorophenyl)[5- (furan- 2- yl)- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: Clc1ccccc1C(=O)N1N=C(CC1c1ccco1)c1ccccc1

STK544534
Synonyms: 2- amino- 1- (3,4- dimethoxyphenyl)- N- (4- ethoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)OC)OC

STK544535
Synonyms: 2- [4- (4- methylbenzyl)piperazin- 1- yl]- N'- {(E)- [4- (methylsulfanyl)phenyl]methylidene}acetohydrazide
Smiles: CSc1ccc(cc1)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C

STK544536
Synonyms: N- (2- {[2- (2,3- dihydro- 1H- indol- 1- yl)- 2- oxoethyl]sulfanyl}- 1,3- benzothiazol- 6- yl)- 2- [(6- nitro- 1,3- benzothiazol- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc2c(c1)sc(n2)SCC(=O)N1CCc2c1cccc2)CSc1nc2c(s1)cc(cc2)[N+](=O)[O-]

STK544538
Synonyms: N,N- diethyl- 2- {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)CC

STK544539
Synonyms: (6aR,6bS,9aR,10S)- 8- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 10- [(4- methoxyphenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)C=Cc1c2cccc1

STK544540
Synonyms: 6- [(3Z)- 3- (1- hydroxyethylidene)- 2- (4- nitrophenyl)- 4,5- dioxopyrrolidin- 1- yl]hexanoicacid
Smiles: OC(=O)CCCCCN1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/O)\C)/C(=O)C1=O

STK544541
Synonyms: 3- {(Z)- [3- (3- methoxypropyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 9- methyl- 2- (thiomorpholin- 4- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCSCC2)/C1=O

STK544542
Synonyms: ethyl5- methoxy- 3- [(2- phenylbutanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)CC)cc(cc2)OC

STK544544
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(E)- (2- chloro- 6- fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1c(F)cccc1Cl

STK544545
Synonyms: 1- (3,4- dichlorophenyl)- N- (2- methoxyethyl)- 2- {[(4- methylphenyl)sulfonyl]amino}- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCNC(=O)c1c(NS(=O)(=O)c2ccc(cc2)C)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)Cl

STK544547
Synonyms: (4E)- 1- [2- (dimethylamino)ethyl]- 4- [hydroxy(4- methoxyphenyl)methylidene]- 5- phenylpyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCN(C)C)/O

STK544549
Synonyms: N'- [(E)- (9- ethyl- 9H- carbazol- 3- yl)methylidene]- 2- [4- (4- methylbenzyl)piperazin- 1- yl]acetohydrazide
Smiles: CCn1c2ccc(cc2c2c1cccc2)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C

STK544551
Synonyms: 11- (3- bromophenyl)- N- (4- butylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)Br)c(nn1c1ccccc1)C

STK544552
Synonyms: (2'S,3S,3'S)- N- (4- chlorophenyl)- 2'- [(4- methoxyphenyl)carbonyl]- 2- oxo- 1,2,2',3'- tetrahydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinoline]- 3'- carboxamide
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)Nc2ccc(cc2)Cl)N2C([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK544554
Synonyms: 11- (3- bromophenyl)- N- (4- methoxyphenyl)- 10- methyl- 8- (2- methylphenyl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)Br)c(nn1c1ccccc1C)C

STK544555
Synonyms: N- {2- [(2- oxo- 2- {[3- (trifluoromethyl)phenyl]amino}ethyl)sulfanyl]- 1,3- benzothiazol- 6- yl}- 2- (piperidin- 1- ylcarbonyl)benzamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1C(=O)N1CCCCC1

STK544556
Synonyms: 2- [(E)- 2- (4- fluorophenyl)ethenyl]- 6- iodo- 3- (2- methylphenyl)quinazolin- 4(3H)- one
Smiles: Fc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccccc1C)I

STK544557
Synonyms: 1- ethyl- 6- fluoro- 7- [4- (naphthalen- 1- ylcarbamothioyl)piperazin- 1- yl]- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1cccc3c1cccc3)c(c2)F

STK544560
Synonyms: 11- (4- chlorophenyl)- N- (2,4- dimethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1C)C)c1ccccc1

STK544561
Synonyms: 2- {[4- amino- 6- (propan- 2- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- methyl- N- phenylacetamide
Smiles: CC(C1OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)N(c1ccccc1)C)C

STK544562
Synonyms: ethyl6,8- dioxo- 7- phenyl- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: CCOC(=O)C1=NNC2(C1)CC(=O)N(C2=O)c1ccccc1

STK544563
Synonyms: (4E)- 5- (3- fluorophenyl)- 4- (1- hydroxyethylidene)- 1- (2- methoxyethyl)pyrrolidine- 2,3- dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1cccc(c1)F

STK544564
Synonyms: methyl5- bromo- 3- {[(2- methoxyphenyl)carbamoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)Nc1ccccc1OC)cc(cc2)Br

STK544565
Synonyms: N- (4- butylphenyl)- 10- methyl- 8- phenyl- 11- [4- (propan- 2- yl)phenyl]- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)C)c(nn1c1ccccc1)C

STK544568
Synonyms: ethyl2- {[(4- fluorophenyl)sulfonyl]amino}- 1- pentyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)F)C(=O)OCC

STK544569
Synonyms: 5- (4- fluorophenyl)- 4- [4- (4- methoxybenzyl)piperazin- 1- yl]thieno[2,3- d]pyrimidine
Smiles: COc1ccc(cc1)CN1CCN(CC1)c1ncnc2c1c(cs2)c1ccc(cc1)F

STK544570
Synonyms: N- {[4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]carbonothioyl}- 4- chlorobenzamide
Smiles: Clc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK544571
Synonyms: methyl5- (3- bromophenyl)- 6a- methyl- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1cccc(c1)Br)C

STK544572
Synonyms: 1- [(4- methoxybenzyl)sulfanyl]- 4- (2- phenylethyl)- 7- (propan- 2- yl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C

STK544574
Synonyms: (8S,8aR)- 2- acetyl- 6- amino- 8- (3,4- diethoxyphenyl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: CCOc1cc(ccc1OCC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C

STK544575
Synonyms: 2- {4- [(4- bromophenyl)sulfonyl]piperazin- 1- yl}- N'- [(E)- (2- chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1ccccc1Cl

STK544576
Synonyms: (8S,8aR,11aS)- N- (4- chlorophenyl)- 10- (naphthalen- 1- yl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3

STK544577
Synonyms: 1- [5- (furan- 2- yl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 3- (pyrrolidin- 1- yl)propan- 1- one
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)CCN1CCCC1

STK544578
Synonyms: ethyl2- amino- 1- (2,4- dimethoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1OC)OC

STK544579
Synonyms: 2- {[3- (azepan- 1- yl)quinoxalin- 2- yl]amino}- 4,5- dimethylthiophene- 3- carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2N2CCCCCC2)sc(c1C)C

STK544580
Synonyms: 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544582
Synonyms: N- {3- [(4- bromophenyl)amino]quinoxalin- 2- yl}- 2,5- dichlorobenzenesulfonamide
Smiles: Brc1ccc(cc1)Nc1nc2ccccc2nc1NS(=O)(=O)c1cc(Cl)ccc1Cl

STK544583
Synonyms: diphenylmethyl(6aR,6bS,9aR,10S)- 8- (4- acetylphenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxylate
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)C(=O)C)C=Cc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK544585
Synonyms: 3- (heptylsulfanyl)- 11- (propan- 2- yl)- 7,8,9,10- tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCCCCCCSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)C(C)C

STK544586
Synonyms: ethyl(2E)- (diphenylphosphoryl)[2- (4- nitrophenyl)hydrazinylidene]ethanoate
Smiles: CCOC(=O)/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/P(=O)(c1ccccc1)c1ccccc1

STK544587
Synonyms: ethyl2- [(5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)sulfanyl]propanoate
Smiles: CCOC(=O)C(Sc1ncnc2c1sc1c2c2CCCCc2c(n1)CCC)C

STK544588
Synonyms: N- (2- methoxyphenyl)- 10- methyl- 8,11- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccccc1Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2)c(nn1c1ccccc1)C

STK544589
Synonyms: 2- [(3- bromobenzyl)sulfanyl]- 3- (3- methylphenyl)quinazolin- 4(3H)- one
Smiles: Brc1cccc(c1)CSc1nc2ccccc2c(=O)n1c1cccc(c1)C

STK544590
Synonyms: 2- [(E)- 2- (2,4- dichlorophenyl)ethenyl]- 3- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(/C=C/c2ccc(cc2Cl)Cl)nc2c(c1=O)cccc2

STK544591
Synonyms: N- (3- methoxyphenyl)- 10- methyl- 8,11- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1)C)c1ccccc1

STK544592
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N'- [(E)- (4- chloro- 3- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(o1)cccc2)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK544593
Synonyms: (8S,8aR,11aS,11bS)- 10- (3- chlorophenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)N=Cc2c1cccc2

STK544594
Synonyms: N- (2- methylphenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3

STK544595
Synonyms: ethyl2- ({(2E)- 2- cyano- 3- [5- (2,5- dichlorophenyl)furan- 2- yl]prop- 2- enoyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2cc(Cl)ccc2Cl)/C#N)sc2c1CCCC2

STK544596
Synonyms: 3,4- dimethoxy- N- {[4- (2- methoxyphenyl)piperazin- 1- yl]carbonothioyl}benzamide
Smiles: COc1cc(ccc1OC)C(=O)NC(=S)N1CCN(CC1)c1ccccc1OC

STK544597
Synonyms: 1- [3- (4- methoxyphenyl)- 5- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 2- (piperidin- 1- yl)ethanone
Smiles: COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C)C(=O)CN1CCCCC1

STK544598
Synonyms: N- benzyl- 4- (morpholin- 4- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCC2)ncnc3NCc1ccccc1

STK544599
Synonyms: 3- {(Z)- [3- (3- ethoxypropyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 2- (4- methylpiperazin- 1- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCOCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)C)/C1=O

STK544600
Synonyms: N- (3,4- dimethoxyphenyl)- 11- (2- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cc(ccc1OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2OC)c(nn1c1ccccc1)C

STK544603
Synonyms: 2- {[7- benzyl- 3- (3- methylphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCN(C3)Cc1ccccc1

STK544604
Synonyms: 2- (furan- 2- yl)- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nc(n2)c1ccco1

STK544605
Synonyms: 9- (4- bromophenyl)- 2,2- dimethyl- 5- (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: Brc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544606
Synonyms: N- [(1- heptyl- 1H- benzimidazol- 2- yl)methyl]thiophene- 2- carboxamide
Smiles: CCCCCCCn1c(CNC(=O)c2cccs2)nc2c1cccc2

STK544607
Synonyms: (2E)- 4- {[2- (2- chlorophenyl)ethyl][1- (4- ethylphenyl)- 2,5- dioxopyrrolidin- 3- yl]amino}- 4- oxobut- 2- enoicacid
Smiles: CCc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)/C=C/C(=O)O)CCc1ccccc1Cl

STK544609
Synonyms: diethyl3- methyl- 5- [(4- methylphenyl)amino]biphenyl- 2,6- dicarboxylate
Smiles: CCOC(=O)c1c(Nc2ccc(cc2)C)cc(c(c1c1ccccc1)C(=O)OCC)C

STK544610
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 6- iodo- 3- (2- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccccc1n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)cc(cc2)I

STK544611
Synonyms: 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- N- (diphenylmethyl)acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544612
Synonyms: N- (2- benzyl- 4- oxoquinazolin- 3(4H)- yl)- 4- hydroxy- 1- (2- methylpropyl)- 2- oxo- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: CC(Cn1c2CCCCc2c(c(c1=O)C(=O)Nn1c(Cc2ccccc2)nc2c(c1=O)cccc2)O)C

STK544615
Synonyms: ethyl4- ({[(4- oxo- 3- phenyl- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC3

STK544616
Synonyms: 2- {4- [(4- bromophenyl)sulfonyl]piperazin- 1- yl}- N'- [(E)- (4- ethoxy- 3- methoxyphenyl)methylidene]acetohydrazide
Smiles: CCOc1ccc(cc1OC)/C=N/NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br

STK544617
Synonyms: N- (3- methoxyphenyl)- 2- {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK544618
Synonyms: 1- {4- [2- (2,5- dimethyl- 1H- pyrrol- 1- yl)ethyl]piperazin- 1- yl}- 3- methyl- 2- (3- methylbutyl)pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(C)c(CCC(C)C)c(n2c1nc1c2cccc1)N1CCN(CC1)CCn1c(C)ccc1C

STK544619
Synonyms: N'- {(E)- [3- (benzyloxy)phenyl]methylidene}- 2- [4- (4- methylbenzyl)piperazin- 1- yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C/c1cccc(c1)OCc1ccccc1

STK544620
Synonyms: [5- (4- bromophenyl)- 3- (3,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](3,4,5- trimethoxyphenyl)methanone
Smiles: COc1ccc(cc1OC)C1=NN(C(C1)c1ccc(cc1)Br)C(=O)c1cc(OC)c(c(c1)OC)OC

STK544621
Synonyms: 2- [4- (2- methoxyphenyl)piperazin- 1- yl]- 3- [(Z)- (4- oxo- 3- propyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2OC)/C1=O

STK544623
Synonyms: 2- (2,4- dichlorophenyl)- 5,7- di(propan- 2- yl)- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- ol
Smiles: Clc1ccc(c(c1)Cl)C1N2CC3(CN1CC(C2)(C3O)C(C)C)C(C)C

STK544624
Synonyms: 2- {[6,6- dimethyl- 4- oxo- 3- (2- phenylethyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (furan- 2- ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK544625
Synonyms: 8- (2- ethoxyphenyl)- 9- (prop- 2- en- 1- ylsulfanyl)- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1c1ccccc1OCC)CCc1c3cccc1

STK544627
Synonyms: N- (3- methoxyphenyl)- 2- {[3- (3- methylphenyl)- 4- oxo- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C

STK544628
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(E)- (4- propoxyphenyl)methylidene]acetohydrazide
Smiles: CCCOc1ccc(cc1)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)Cl

STK544629
Synonyms: 2- {4- [(4- bromophenyl)sulfonyl]piperazin- 1- yl}- N'- [(E)- (2- chloro- 5- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]

STK544630
Synonyms: 7- [(2- bromoprop- 2- en- 1- yl)sulfanyl]- 4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: BrC(=C)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544631
Synonyms: 2- {[7,7- dimethyl- 5- oxo- 4- (2- phenylethyl)- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- phenylpropanamide
Smiles: CC(C(=O)Nc1ccccc1)Sc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)(C)C

STK544632
Synonyms: N- (2,4- dichlorophenyl)- 2- [(10- phenyl- 8,9- dihydro- 7H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK544633
Synonyms: 2- amino- N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 1- (prop- 2- en- 1- yl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: C=CCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCC1=CCCCC1

STK544635
Synonyms: 8- (propan- 2- ylsulfanyl)- 5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SC(C)C

STK544636
Synonyms: N- (4- {[11- (2- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1

STK544637
Synonyms: 1- benzyl- 3- (biphenyl- 4- yl)- 5- (4- methoxyphenyl)- 4,5- dihydro- 1H- pyrazole
Smiles: COc1ccc(cc1)C1CC(=NN1Cc1ccccc1)c1ccc(cc1)c1ccccc1

STK544638
Synonyms: (2E)- 1- (4- bromophenyl)- 3- (2- chloro- 8- methylquinolin- 3- yl)prop- 2- en- 1- one
Smiles: Brc1ccc(cc1)C(=O)/C=C/c1cc2cccc(c2nc1Cl)C

STK544639
Synonyms: N- (3,5- dimethylphenyl)- 11- (2- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cc(C)cc(c1)C)c1ccccc1

STK544640
Synonyms: (8S,8aR,11aS)- N- (4- chlorophenyl)- 10- (4- nitrophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])cccc3

STK544642
Synonyms: N- (4- bromophenyl)- 2- [(3,6,6- trimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK544643
Synonyms: 2- [(3,4- dichlorobenzyl)sulfanyl]- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CN1CCc2c(C1)sc1c2c(N)nc(n1)SCc1ccc(c(c1)Cl)Cl

STK544644
Synonyms: 2- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanedioicacid
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CC(=O)O

STK544645
Synonyms: 8- [(2- chlorobenzyl)sulfanyl]- 1,3- dimethyl- 7- (3- methylbutyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(CCn1c(SCc2ccccc2Cl)nc2c1c(=O)n(c(=O)n2C)C)C

STK544646
Synonyms: 4- [5- (2- chloroquinolin- 3- yl)- 3- (3,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: COc1cc(ccc1OC)C1=NN(C(C1)c1cc2ccccc2nc1Cl)C(=O)CCC(=O)O

STK544647
Synonyms: N- (3- methoxyphenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3

STK544648
Synonyms: N- (4- butoxyphenyl)- 10- methyl- 8,11- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCCCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2)c(nn1c1ccccc1)C

STK544649
Synonyms: 8- ethyl- 2- [(4- methoxybenzyl)sulfanyl]- 8- methyl- 3- (4- methylphenyl)- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCC1(C)OCc2c(C1)nc1c(c2)c(=O)n(c(n1)SCc1ccc(cc1)OC)c1ccc(cc1)C

STK544652
Synonyms: 2- (benzylsulfanyl)- 3- ethyl- 6- iodoquinazolin- 4(3H)- one
Smiles: CCn1c(SCc2ccccc2)nc2c(c1=O)cc(cc2)I

STK544653
Synonyms: N- (4- bromophenyl)- 2- {[5- (furan- 2- yl)- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK544655
Synonyms: 11- (4- chlorophenyl)- N- (2,3- dimethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1C)C)c1ccccc1

STK544657
Synonyms: 3- cyclohexyl- 11- phenyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: O=c1n(cnc2c1c1nc3ccccc3nc1n2c1ccccc1)C1CCCCC1

STK544658
Synonyms: 4- chloro- 6- (morpholin- 4- yl)- N- octyl- 1,3,5- triazin- 2- amine
Smiles: CCCCCCCCNc1nc(Cl)nc(n1)N1CCOCC1

STK544659
Synonyms: 2- [(2,4- dichlorophenoxy)methyl]- 1- [2- (naphthalen- 2- yloxy)ethyl]- 1H- benzimidazole
Smiles: Clc1ccc(c(c1)Cl)OCc1nc2c(n1CCOc1ccc3c(c1)cccc3)cccc2

STK544660
Synonyms: 6- (4- ethoxyphenyl)- 8- (3- nitrophenyl)- 3,4a,7a,8- tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3- d][1,3]thiazole- 2,5,7(6H)- trione
Smiles: CCOc1ccc(cc1)N1C(=O)C2C(C1=O)Sc1c(C2c2cccc(c2)[N+](=O)[O-])sc(=O)[nH]1

STK544661
Synonyms: 3,4- dimethyl- N- [2- (morpholin- 4- yl)ethyl]benzenesulfonamide
Smiles: Cc1ccc(cc1C)S(=O)(=O)NCCN1CCOCC1

STK544662
Synonyms: 2- amino- 1- (4- butoxyphenyl)- N- (4- fluorobenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCOc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)NCc1ccc(cc1)F

STK544663
Synonyms: 1- [3- (4- chlorophenyl)- 5- (furan- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 3- (piperidin- 1- yl)propan- 1- one
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)CCN1CCCCC1

STK544664
Synonyms: 2- [(3- methyl- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- {2- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3- benzothiazol- 6- yl}acetamide
Smiles: O=C(Nc1ccc2c(c1)sc(n2)SCc1cccc2c1cccc2)CSc1nc2sc3c(c2c(=O)n1C)CCCC3

STK544665
Synonyms: (6aR,6bS,9aR,10S)- 8- (3- chlorophenyl)- N- (4- chlorophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc(c1)Cl)C=Cc1c2cccc1

STK544668
Synonyms: 4- chloro- N- [2- (diethylamino)- 1,2- dihydroacenaphthylen- 1- yl]benzenesulfonamide
Smiles: CCN(C1C(NS(=O)(=O)c2ccc(cc2)Cl)c2c3c1cccc3ccc2)CC

STK544669
Synonyms: 2- cyano- 2- [3- (dibutylamino)quinoxalin- 2- yl]- N- (prop- 2- en- 1- yl)acetamide
Smiles: CCCCN(c1nc2ccccc2nc1C(C(=O)NCC=C)C#N)CCCC

STK544670
Synonyms: N,N- diphenyl- 2- [(3,6,6- trimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK544671
Synonyms: 4- (4- butoxyphenyl)- 1,3- diphenyl- 4,8- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7(6H)- one
Smiles: CCCCOc1ccc(cc1)C1SCC(=O)Nc2c1c(nn2c1ccccc1)c1ccccc1

STK544672
Synonyms: 3,7- bis[(4- methoxybenzyl)sulfanyl]- 11,12- dihydro- 10H- cyclopenta[4,5]thieno[3,2- e]bis[1,2,4]triazolo[4,3- a:4',3'- c]pyrimidine
Smiles: COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2c(SCc2ccc(cc2)OC)nn1)CCC3

STK544673
Synonyms: N- (4- {[11- (2- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}phenyl)acetamide
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)NC(=O)C)c1ccccc1

STK544674
Synonyms: dimethyl5- {[(3- methoxynaphthalen- 2- yl)carbonyl]amino}- 3- methylthiophene- 2,4- dicarboxylate
Smiles: COC(=O)c1c(NC(=O)c2cc3ccccc3cc2OC)sc(c1C)C(=O)OC

STK544675
Synonyms: 3- {(Z)- [3- (2- methylpropyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 2- (thiomorpholin- 4- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CC(CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C1=O)C

STK544676
Synonyms: N- (3,5- dichlorophenyl)- 10- methyl- 8- phenyl- 11- [4- (propan- 2- yl)phenyl]- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1cc(cc(c1)Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)C)c(nn1c1ccccc1)C

STK544677
Synonyms: (8S,8aR)- 6- amino- 8- [3- methoxy- 4- (propan- 2- yloxy)phenyl]- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCNC2)c1ccc(c(c1)OC)OC(C)C)(C#N)C#N

STK544678
Synonyms: 3- methyl- 2- (3- methylbutyl)- 1- [4- (6- methylpyridin- 2- yl)piperazin- 1- yl]pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(C)c(CCC(C)C)c(n2c1nc1c2cccc1)N1CCN(CC1)c1cccc(n1)C

STK544680
Synonyms: 10- phenyl- 3- (prop- 2- en- 1- ylsulfanyl)- 8,9- dihydro- 7H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: C=CCSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK544682
Synonyms: (8R,8aR)- 2- acetyl- 6- amino- 8- (2,5- dimethoxyphenyl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)C)c1cc(OC)ccc1OC)(C#N)C#N

STK544684
Synonyms: 9- (4- bromophenyl)- 2- (3- nitrophenyl)tetrahydro- 5H- pyrazolo[1,2- a]pyrrolo[3,4- c]pyrazole- 1,3(2H,3aH)- dione
Smiles: Brc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-]

STK544685
Synonyms: 2- (benzylsulfanyl)- 3,6,6- trimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cn1c(SCc2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK544687
Synonyms: 11- (4- bromophenyl)- 2- methyl- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Brc1ccc(cc1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK544688
Synonyms: N- [1- (1H- benzimidazol- 2- yl)- 3- (methylsulfanyl)propyl]- 3- nitrobenzamide
Smiles: CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK544689
Synonyms: 3- (2,5- dibromophenyl)- 2- (4- nitrophenyl)quinazolin- 4(3H)- one
Smiles: Brc1ccc(c(c1)n1c(nc2c(c1=O)cccc2)c1ccc(cc1)[N+](=O)[O-])Br

STK544690
Synonyms: (1'R,2'S,3R)- N- (4- chlorophenyl)- 2'- [(4- chlorophenyl)carbonyl]- 2- oxo- 1,1',2,2'- tetrahydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinoline]- 1'- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@@H]1N2c3ccccc3C=CC2[C@]2([C@@H]1C(=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1

STK544692
Synonyms: 1- ethyl- 6- fluoro- 7- (4- {[4- (methoxycarbonyl)phenyl]carbamothioyl}piperazin- 1- yl)- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: COC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK544694
Synonyms: 4- hexyl- 3- methyl- 2,6- diphenyl- 5- propylpiperidin- 4- ol
Smiles: CCCCCCC1(O)C(C)C(NC(C1CCC)c1ccccc1)c1ccccc1

STK544695
Synonyms: ethyl6,6- dimethyl- 3- {[(phenylcarbonyl)carbamothioyl]amino}- 6,7- dihydro- 4H- thieno[3,2- c]pyran- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1NC(=S)NC(=O)c1ccccc1)COC(C2)(C)C

STK544696
Synonyms: (6aR,6bS,9aR,10S)- 8- (4- acetylphenyl)- 10- [(4- methoxyphenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)C(=O)C)C=Cc1c2cccc1

STK544697
Synonyms: 3,7- bis[(3- nitrophenyl)acetyl]- 1,5- dipropyl- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: CCCC12CN(CC(C2=O)(CN(C1)C(=O)Cc1cccc(c1)[N+](=O)[O-])CCC)C(=O)Cc1cccc(c1)[N+](=O)[O-]

STK544699
Synonyms: N- methyl- 2- {[5- (2- methylpropyl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}- N- phenylacetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)N(c1ccccc1)C)C

STK544700
Synonyms: 4- (2- phenylethyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5(4H)- one
Smiles: O=c1c2c3CCCCc3sc2n2c(n1CCc1ccccc1)nnn2

STK544701
Synonyms: N'- [(E)- (3- methoxyphenyl)methylidene]- 2- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)acetohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)CN1CCn2c3C1CCCc3c1c2ccc(c1)C

STK544703
Synonyms: (3aR,6aS)- 3- (4- bromophenyl)- 5- [2- (trifluoromethyl)phenyl]- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1C(F)(F)F

STK544704
Synonyms: N- (3- methylphenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK544705
Synonyms: N'- [(Z)- (2,3- dichlorophenyl)methylidene]- 2- [4- (4- methylbenzyl)piperazin- 1- yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C\c1cccc(c1Cl)Cl

STK544706
Synonyms: 1- benzyl- 2'- (2,4- dichlorophenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Clc1ccc(c(c1)Cl)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1

STK544707
Synonyms: methyl5- methyl- 3- [(morpholin- 4- ylcarbonyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)N1CCOCC1)cc(cc2)C

STK544708
Synonyms: 4- methyl- 2,6- diphenyl- 3- propylpiperidin- 4- ol
Smiles: CCCC1C(NC(CC1(C)O)c1ccccc1)c1ccccc1

STK544709
Synonyms: 3- [(Z)- (3- benzyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 2- (thiomorpholin- 4- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C(=O)N1Cc1ccccc1

STK544710
Synonyms: 1- {4- [2- (2,5- dimethyl- 1H- pyrrol- 1- yl)ethyl]piperazin- 1- yl}- 2- ethyl- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)CCn1c(C)ccc1C)c1ccccc1n2

STK544711
Synonyms: 2- {4- [(4- bromophenyl)sulfonyl]piperazin- 1- yl}- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1ccc(cc1)N(C)C

STK544712
Synonyms: 2- {[(2Z)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 6,6- dimethyl- 3- (3- methylphenyl)- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: C/C(=C/CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(SC3)(C)C)/Cl

STK544713
Synonyms: 2- [(2,2- dimethyl- 5- propyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)sulfanyl]- N- methyl- N- phenylacetamide
Smiles: CCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCC(=O)N(c1ccccc1)C

STK544714
Synonyms: (3E)- 5- bromo- 3- [2- ([1,2,4]triazolo[4,3- b]pyridazin- 6- yl)hydrazinylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: Brc1ccc2c(c1)/C(=N\Nc1ccc3n(n1)cnn3)/C(=O)N2

STK544716
Synonyms: 9- benzyl- 2- {[5- methyl- 2- (propan- 2- yl)phenoxy]methyl}- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccc(c(c1)OCc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)Cc1ccccc1)C(C)C

STK544718
Synonyms: 1- (4- bromophenyl)- 3- [(4- bromophenyl)amino]- 5- (2- fluorophenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Brc1ccc(cc1)NC1=CC(N(C1=O)c1ccc(cc1)Br)c1ccccc1F

STK544719
Synonyms: 2- [(5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanedioicacid
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CC(=O)O

STK544720
Synonyms: (2E,4E)- 4- [(5- chlorofuran- 2- yl)methylidene]- 3- methylpent- 2- enedioicacid
Smiles: OC(=O)/C=C(/C(=C\c1ccc(o1)Cl)/C(=O)O)\C

STK544721
Synonyms: 2- fluoro- N- [4- (4- methyl- 5- {[2- (4- methylphenoxy)ethyl]sulfanyl}- 4H- 1,2,4- triazol- 3- yl)phenyl]benzamide
Smiles: Cc1ccc(cc1)OCCSc1nnc(n1C)c1ccc(cc1)NC(=O)c1ccccc1F

STK544722
Synonyms: N'- [(1E)- 1- (4- fluorophenyl)ethylidene]- 2- [4- (4- methylbenzyl)piperazin- 1- yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C(/c1ccc(cc1)F)\C

STK544723
Synonyms: 10- methyl- N- (3- methylphenyl)- 8,11- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1)C)c1ccccc1

STK544724
Synonyms: N- methyl- 2- {[5- oxo- 4- (2- phenylethyl)- 7- (propan- 2- yl)- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- phenylacetamide
Smiles: CC(C1OCc2c(C1)c1c(=O)n(CCc3ccccc3)c3n(c1s2)c(SCC(=O)N(c1ccccc1)C)nn3)C

STK544725
Synonyms: 1- (4- bromophenyl)- 2- (4- nitrophenyl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: Brc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1ccc(cc1)[N+](=O)[O-]

STK544726
Synonyms: N'- {(E)- [3- (benzyloxy)- 4- methoxyphenyl]methylidene}- 2- [4- (4- chlorobenzyl)piperazin- 1- yl]acetohydrazide
Smiles: COc1ccc(cc1OCc1ccccc1)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)Cl

STK544727
Synonyms: 2- {[3- cyclohexyl- 4- oxo- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (pyridin- 2- yl)acetamide
Smiles: O=C(Nc1ccccn1)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(OC3)C(C)C

STK544728
Synonyms: 2,5- dichloro- N- {3- [(3,4- dimethylphenyl)amino]quinoxalin- 2- yl}benzenesulfonamide
Smiles: Clc1ccc(c(c1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(c(c1)C)C)Cl

STK544730
Synonyms: N- (3,5- dichlorophenyl)- 11- (2- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cc(Cl)cc(c1)Cl)c1ccccc1

STK544733
Synonyms: 9- (4- bromophenyl)- 2- (4- fluorophenyl)tetrahydro- 5H- pyrazolo[1,2- a]pyrrolo[3,4- c]pyrazole- 1,3(2H,3aH)- dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N1N2CCC1)c1ccc(cc1)Br

STK544734
Synonyms: 2- amino- N- (4- fluorobenzyl)- 1- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK544736
Synonyms: N- (2,5- dimethoxyphenyl)- 10- methyl- 8,11- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(c(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1)C)c1ccccc1)OC

STK544738
Synonyms: 2- amino- 1- (2- ethoxyphenyl)- N- (tetrahydrofuran- 2- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCOc1ccccc1n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCC1CCCO1

STK544739
Synonyms: 11- (3- bromophenyl)- N- (2,5- dimethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(c(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccc(c1)Br)C)c1ccccc1)OC

STK544740
Synonyms: 4- (4- methylphenyl)- 1- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene
Smiles: Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2)c1ccccc1

STK544742
Synonyms: 4- amino- 5- (4- methoxyphenyl)pyrimidine- 2- thiol
Smiles: COc1ccc(cc1)c1cnc(nc1N)S

STK544743
Synonyms: N'- {(E)- [3- (benzyloxy)- 4- methoxyphenyl]methylidene}- 2- [4- (2- chlorobenzyl)piperazin- 1- yl]acetohydrazide
Smiles: COc1ccc(cc1OCc1ccccc1)/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1Cl

STK544744
Synonyms: N,N- diethyl- 2- {[5- (ethylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CCSc1nc2sc3c(c2c2n1c(SCC(=O)N(CC)CC)nn2)CCCC3

STK544745
Synonyms: 4- methyl- N- {3- [(4- methylphenyl)sulfonyl]- 1- octyl- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}benzenesulfonamide
Smiles: CCCCCCCCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C

STK544747
Synonyms: 3- bromo- N- {3- [(4- methylphenyl)sulfonyl]- 1- pentyl- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}benzamide
Smiles: CCCCCn1c2nc3ccccc3nc2c(c1NC(=O)c1cccc(c1)Br)S(=O)(=O)c1ccc(cc1)C

STK544748
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(E)- (4- ethoxy- 3- methoxyphenyl)methylidene]acetohydrazide
Smiles: CCOc1ccc(cc1OC)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)Cl

STK544750
Synonyms: ethyl3- {[3- (4- benzylpiperidin- 1- yl)propanoyl]amino}- 5- bromo- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)Cc1ccccc1)cc(cc2)Br

STK544751
Synonyms: 2'- (3,4- dichlorophenyl)- 7'- methoxy- 2,2- dimethyl- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccc(c(c1)Cl)Cl

STK544753
Synonyms: 2,4- dichloro- N'- [(3- hydroxyphenyl)carbonyl]benzohydrazide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NNC(=O)c1cccc(c1)O

STK544754
Synonyms: 1- [5- (4- methoxyphenyl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 2- (pyrrolidin- 1- yl)ethanone
Smiles: COc1ccc(cc1)C1CC(=NN1C(=O)CN1CCCC1)c1cccs1

STK544755
Synonyms: ethyl4,5- dimethyl- 2- {[3- (4- methylpiperidin- 1- yl)quinoxalin- 2- yl]amino}thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCC(CC2)C)sc(c1C)C

STK544756
Synonyms: 1- benzyl- 9'- bromo- 2'- (2,4- dichlorophenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)Cc1ccccc1)c1ccc(cc1Cl)Cl

STK544757
Synonyms: N- (2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 1,3- benzothiazol- 6- yl)- 2- [(6- nitro- 1,3- benzothiazol- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc2c(c1)sc(n2)SCC(=O)c1ccc(cc1)Cl)CSc1nc2c(s1)cc(cc2)[N+](=O)[O-]

STK544758
Synonyms: 5- {2- [(2- bromophenyl)carbonyl]hydrazinyl}- 5- oxo- 2- propylpentanoicacid
Smiles: CCCC(C(=O)O)CCC(=O)NNC(=O)c1ccccc1Br

STK544761
Synonyms: 3- (2- methoxyethyl)- 2- methyl- 11- phenyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccccc1

STK544762
Synonyms: N- [(3- carbamoyl- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)carbamothioyl]- 3- (2,6- dichlorophenyl)- 5- methyl- 1,2- oxazole- 4- carboxamide
Smiles: CC1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl

STK544763
Synonyms: N- (3- methoxyphenyl)- 2- [(4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl)sulfanyl]acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544764
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 6,6- dimethyl- 3- (4- methylphenyl)- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK544766
Synonyms: ethyl7- (4- chlorophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: CCOC(=O)C1=NNC2(C1)CC(=O)N(C2=O)c1ccc(cc1)Cl

STK544767
Synonyms: 3- (4- bromophenyl)- 2- [(E)- 2- (4- fluorophenyl)ethenyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: Fc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1)Br)I

STK544768
Synonyms: (3aR,4S,9aR,9bS)- 2- (1,3- benzodioxol- 5- yl)- 4- [(4- bromophenyl)carbonyl]- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)C(=O)c1ccccc1

STK544769
Synonyms: 2- (diphenylphosphorothioyl)- 2- methylhexanenitrile
Smiles: CCCCC(P(=S)(c1ccccc1)c1ccccc1)(C#N)C

STK544770
Synonyms: 1- benzyl- 2- {[(4- chlorophenyl)sulfonyl]amino}- N- cyclohexyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1c(C(=O)NC2CCCCC2)c2c(n1Cc1ccccc1)nc1c(n2)cccc1

STK544771
Synonyms: 2- {[(2E)- 3- (4- bromothiophen- 2- yl)- 2- cyanoprop- 2- enoyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: N#C/C(=C\c1scc(c1)Br)/C(=O)Nc1sc2c(c1C(=O)N)CCCC2

STK544772
Synonyms: N'- [(E)- (3- nitrophenyl)methylidene]- 4- (propan- 2- yloxy)benzohydrazide
Smiles: CC(Oc1ccc(cc1)C(=O)N/N=C/c1cccc(c1)[N+](=O)[O-])C

STK544773
Synonyms: 3- (diphenylmethyl)1- methyl(1S,2R,3R)- 1- cyano- 2- (4- nitrophenyl)- 1,2,3,10b- tetrahydropyrrolo[2,1- a]isoquinoline- 1,3- dicarboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](N2C1c1ccccc1C=C2)C(=O)OC(c1ccccc1)c1ccccc1

STK544774
Synonyms: 1- (3- chlorophenyl)- 2- phenyl- 1H- imidazo[4,5- b]quinoxaline
Smiles: Clc1cccc(c1)n1c(nc2c1nc1ccccc1n2)c1ccccc1

STK544775
Synonyms: N- acetyl- 3,5- dibromo- 2- hydroxybenzamide
Smiles: CC(=O)NC(=O)c1cc(Br)cc(c1O)Br

STK544776
Synonyms: N'- [(E)- (2- hydroxy- 5- methoxyphenyl)methylidene]- 6- oxo- 1,6- dihydropyridazine- 3- carbohydrazide
Smiles: COc1ccc(c(c1)/C=N/NC(=O)c1ccc(=O)[nH]n1)O

STK544778
Synonyms: N- (2,3- dimethylphenyl)- 11- (2- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Fc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1C)C)c1ccccc1

STK544779
Synonyms: 3- (2,5- dibromophenyl)- 2- [(E)- 2- (4- nitrophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Brc1ccc(c(c1)n1c(/C=C/c2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cccc2)Br

STK544780
Synonyms: 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544781
Synonyms: 3- benzyl- 2- methyl- 11- (4- methylphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1ccc(cc1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)Cc1ccccc1

STK544782
Synonyms: (4E)- 5- (4- fluorophenyl)- 4- (1- hydroxyethylidene)- 1- (pyridin- 3- ylmethyl)pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)C1/C(=C(\O)/C)/C(=O)C(=O)N1Cc1cccnc1

STK544784
Synonyms: 3- benzyl- 2- {(E)- 2- [4- (dimethylamino)phenyl]ethenyl}- 6- iodoquinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(cc1)N(C)C)Cc1ccccc1

STK544785
Synonyms: N~6~- benzyl- 7- nitro- N~4~- (2- phenylethyl)- 2,1,3- benzoxadiazole- 4,6- diamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)cc(c2c1non2)NCCc1ccccc1

STK544786
Synonyms: 6- chloro- 2- [3- (4- chlorophenyl)- 5- (3- nitrophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- phenylquinazoline
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])c1nc2ccc(cc2c(n1)c1ccccc1)Cl

STK544787
Synonyms: N'- [(E)- (3,4- dimethoxyphenyl)methylidene]- 2- [4- (4- methylbenzyl)piperazin- 1- yl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CN2CCN(CC2)Cc2ccc(cc2)C)ccc1OC

STK544789
Synonyms: N,4- bis(4- chlorophenyl)- 1- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carbothioamide
Smiles: Cc1ccc(cc1)c1c(C(=S)Nc2ccc(cc2)Cl)n2c3c1CCCCn3c(c2)c1ccc(cc1)Cl

STK544791
Synonyms: (4E)- 1- (4- fluorophenyl)- 4- (1- hydroxyethylidene)- 5- (3- nitrophenyl)pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)N1C(=O)C(=O)/C(=C(/O)\C)/C1c1cccc(c1)[N+](=O)[O-]

STK544793
Synonyms: 2- [(E)- 2- (3- bromophenyl)ethenyl]- 3- (2,5- dibromophenyl)quinazolin- 4(3H)- one
Smiles: Brc1cccc(c1)/C=C/c1nc2ccccc2c(=O)n1c1cc(Br)ccc1Br

STK544794
Synonyms: 1- (piperidin- 1- yl)- 2- {[5- (propan- 2- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}ethanone
Smiles: O=C(N1CCCCC1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C

STK544795
Synonyms: 8- ethyl- 9- [(3- methylbutyl)sulfanyl]- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: CCn1c(SCCC(C)C)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK544797
Synonyms: [(1S,2R,3S)- 2- (furan- 2- yl)- 1- nitro- 1,2,3,10b- tetrahydropyrrolo[2,1- a]phthalazin- 3- yl](phenyl)methanone
Smiles: O=C([C@H]1N2N=Cc3c(C2[C@H]([C@@H]1c1ccco1)[N+](=O)[O-])cccc3)c1ccccc1

STK544798
Synonyms: 6- {(2E)- 2- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]hydrazinyl}[1,2,4]triazolo[4,3- b]pyridazine
Smiles: C/C(=C\c1ccccc1)/C=N/Nc1ccc2n(n1)cnn2

STK544799
Synonyms: (8S,8aR)- 6- amino- 8- (3- ethoxy- 4- propoxyphenyl)- 2- (propan- 2- yl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: CCCOc1ccc(cc1OCC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(C)C

STK544800
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK544801
Synonyms: 6,7- dimethoxy- 4- [4- (3- methoxyphenyl)- 3- methylpiperazin- 1- yl]- 2- phenylquinazoline
Smiles: COc1cccc(c1)N1CCN(CC1C)c1nc(nc2c1cc(OC)c(c2)OC)c1ccccc1

STK544802
Synonyms: 2- (3- phenoxyphenyl)- 5- phenyl- 4- (thiophen- 2- yl)- 1H- imidazole
Smiles: c1ccc(cc1)Oc1cccc(c1)c1[nH]c(c(n1)c1cccs1)c1ccccc1

STK544803
Synonyms: 4- [5- (2- chloro- 7- methoxyquinolin- 3- yl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: COc1ccc2c(c1)nc(c(c2)C1CC(=NN1C(=O)CCC(=O)O)c1ccc(cc1)C)Cl

STK544805
Synonyms: N- (3- nitrophenyl)- 2- [(2- oxo- 4- propyl- 2H- chromen- 7- yl)oxy]acetamide
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OCC(=O)Nc1cccc(c1)[N+](=O)[O-]

STK544806
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(E)- (3- chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/c1cccc(c1)Cl

STK544807
Synonyms: (2E)- N- {1- [1- (3- chlorobenzyl)- 1H- benzimidazol- 2- yl]ethyl}- 3- phenylprop- 2- enamide
Smiles: Clc1cccc(c1)Cn1c(nc2c1cccc2)C(NC(=O)/C=C/c1ccccc1)C

STK544808
Synonyms: 2- [(E)- 2- (2- chlorophenyl)ethenyl]- 6- iodo- 3- (3- methylphenyl)quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1Cl)c1cccc(c1)C

STK544809
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 6,6- dimethyl- 3- (prop- 2- en- 1- yl)- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK544810
Synonyms: N- (3- methoxyphenyl)- 10- methyl- 11- (3- nitrophenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)[N+](=O)[O-])c(nn1c1ccccc1)C

STK544811
Synonyms: 3- [(Z)- (3- cyclopentyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 2- (thiomorpholin- 4- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCSCC2)/C(=O)N1C1CCCC1

STK544812
Synonyms: 2- {[5- (3,4- dimethoxyphenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2,3,4- trimethoxyphenyl)methylidene]acetohydrazide
Smiles: CCn1c(SCC(=O)N/N=C/c2ccc(c(c2OC)OC)OC)nnc1c1ccc(c(c1)OC)OC

STK544813
Synonyms: 1- (3- methylphenyl)- 2- phenyl- 1H- imidazo[4,5- b]quinoxaline
Smiles: Cc1cccc(c1)n1c(nc2c1nc1ccccc1n2)c1ccccc1

STK544814
Synonyms: 2- [4- (2- chlorobenzyl)piperazin- 1- yl]- N'- [(1E)- 1- (4- nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\C

STK544815
Synonyms: N'- [(E)- (3- bromo- 4- methoxyphenyl)methylidene]- 2- [4- (4- methylbenzyl)piperazin- 1- yl]acetohydrazide
Smiles: COc1ccc(cc1Br)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C

STK544816
Synonyms: 5,5'- [benzene- 1,2- diylbis(iminomethylylidene)]bis(1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione)
Smiles: CN1C(=O)N(C)C(=O)C(=CNc2ccccc2NC=C2C(=O)N(C)C(=O)N(C2=O)C)C1=O

STK544817
Synonyms: 8- fluoro- 3- {[(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]amino}- 2- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1cc(ccc1O)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)F

STK544818
Synonyms: 2- [(E)- 2- (2,4- dichlorophenyl)ethenyl]- 3- (4- hydroxyphenyl)quinazolin- 4(3H)- one
Smiles: Oc1ccc(cc1)n1c(/C=C/c2ccc(cc2Cl)Cl)nc2c(c1=O)cccc2

STK544819
Synonyms: 11- (3- chloro- 4- methoxyphenyl)- 3- (furan- 2- ylmethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccc(cc1Cl)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccco1

STK544820
Synonyms: 4- (4- chlorophenyl)- 2- [(2- hydroxyethyl)amino]- 4- oxobutanoicacid
Smiles: OCCNC(C(=O)O)CC(=O)c1ccc(cc1)Cl

STK544821
Synonyms: 1,3- dimethyl- 7- (3- methylbenzyl)- 8- [(naphthalen- 2- ylmethyl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1cccc(c1)Cn1c(SCc2ccc3c(c2)cccc3)nc2c1c(=O)n(c(=O)n2C)C

STK544822
Synonyms: 3,3'- methanediylbis(4- phenyl- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4H- 1,2,4- triazole)
Smiles: c1ccc(cc1)n1c(nnc1SC/C=C/c1ccccc1)Cc1nnc(n1c1ccccc1)SC/C=C/c1ccccc1

STK544824
Synonyms: 6- (2- {[(E)- (3,4- dimethoxyphenyl)methylidene]amino}phenoxy)- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(cc1OC)/C=N/c1ccccc1Oc1cc(=O)n(c(=O)n1C)C

STK544825
Synonyms: ethyl2- {[3- (3,5- dimethylpiperidin- 1- yl)quinoxalin- 2- yl]amino}- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CC(C)CC(C2)C)sc(c1C)C

STK544826
Synonyms: 6,6- dimethyl- 3- (3- methylphenyl)- 2- (methylsulfanyl)- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(SC3)(C)C

STK544827
Synonyms: 1- [3- (4- chlorophenyl)- 5- (furan- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]propan- 1- one
Smiles: CCC(=O)N1N=C(CC1c1ccco1)c1ccc(cc1)Cl

STK544828
Synonyms: 5- (furan- 2- yl)- 2,2- dimethyl- 8- (propan- 2- yloxy)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CC(Oc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1)C

STK544829
Synonyms: ethyl2- [({2- [4- (diphenylmethyl)piperazin- 1- yl]- 5- nitrophenyl}carbonyl)amino]- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2cc(ccc2N2CCN(CC2)C(c2ccccc2)c2ccccc2)[N+](=O)[O-])sc2c1CCC2

STK544830
Synonyms: 2- [(4- amino- 6- ethyl- 6- methyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (4- phenylbutan- 2- yl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)NC(CCc1ccccc1)C

STK544831
Synonyms: 2- (butylsulfanyl)- 3- (3- methoxyphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)OC)CCCC3

STK544833
Synonyms: 9- benzyl- 2- [(naphthalen- 1- yloxy)methyl]- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1cccc2c1cccc2

STK544834
Synonyms: 2- {[4- oxo- 3- (2- phenylethyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (4- phenylbutan- 2- yl)acetamide
Smiles: CC(NC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)C(C)C)CCc1ccccc1

STK544835
Synonyms: 2- (acenaphtho[1,2- e][1,2,4]triazin- 9- ylsulfanyl)- N- (4- cyanophenyl)acetamide
Smiles: N#Cc1ccc(cc1)NC(=O)CSc1nnc2c(n1)c1cccc3c1c2ccc3

STK544836
Synonyms: (3aR,6aS)- 5- (3- fluorophenyl)- 3- (4- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Fc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)[N+](=O)[O-]

STK544837
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (2- methylprop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK544839
Synonyms: 11- hydroxy- 2,3- dihydro- 1H- cyclopenta[4,5]pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c2CCCc2c(n2c1nc1c2cccc1)O

STK544841
Synonyms: (8S,8aR,11aS,11bS)- 10- (2- methyl- 4- nitrophenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccc(cc1C)[N+](=O)[O-])c1ccccc1

STK544843
Synonyms: 4- chloro- N- [(1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- yl)carbamothioyl]benzamide
Smiles: S=C(Nc1cc(=O)n(c(=O)n1C)C)NC(=O)c1ccc(cc1)Cl

STK544844
Synonyms: 2- {[3- (3- methylphenyl)- 4- oxo- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCC(=O)N(c1ccccc1)c1ccccc1)C

STK544845
Synonyms: 3,7- bis[(3,5- dinitrophenyl)carbonyl]- 1,5- diethyl- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: CCC12CN(CC(C2=O)(CN(C1)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])CC)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK544847
Synonyms: N'- [(3Z)- 7- bromo- 5- chloro- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]pyridine- 4- carbohydrazide
Smiles: Clc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccncc1)/C(=O)N2

STK544848
Synonyms: (8R,8aR)- 6- amino- 2- benzyl- 8- (furan- 3- yl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)Cc1ccccc1)c1ccoc1)(C#N)C#N

STK544849
Synonyms: (6aS,6bR,9aS,10R)- 10- (1H- benzotriazol- 1- ylcarbonyl)- 8- (2- methyl- 4- nitrophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1ccc(cc1C)[N+](=O)[O-])[C@H]1N([C@H]2C(=O)n2nnc3c2cccc3)c2ccccc2C=C1

STK544851
Synonyms: 9'- bromo- 2,2- dimethyl- 2'- (5- methylthiophen- 2- yl)- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCOC(C1)(C)C)c1ccc(s1)C

STK544852
Synonyms: 3- (4- bromophenyl)- 2- (4- chlorophenyl)tetrahydro- 1H,5H- pyrazolo[1,2- a][1,2,4]triazol- 1- one
Smiles: Clc1ccc(cc1)N1C(=O)N2N(C1c1ccc(cc1)Br)CCC2

STK544853
Synonyms: 3- (2- methoxyphenyl)- 2- (propylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1OC)CCCC3

STK544854
Synonyms: ethyl2- (pentanoylamino)- 4,5- dihydronaphtho[1,2- b]thiophene- 3- carboxylate
Smiles: CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCc1c2cccc1

STK544855
Synonyms: N- (1,3- benzodioxol- 5- yl)- 11- (3- bromophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc2c(c1)OCO2)c1ccccc1

STK544857
Synonyms: but- 2- yne- 1,4- diylbis(2- nitrobenzoate)
Smiles: O=C(c1ccccc1[N+](=O)[O-])OCC#CCOC(=O)c1ccccc1[N+](=O)[O-]

STK544858
Synonyms: (8S,8aR,11aS,11bS)- 10- (naphthalen- 2- yl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: NC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc2c(c1)cccc2

STK544860
Synonyms: 6- {(2E)- 2- [1- (5- chlorothiophen- 2- yl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3- b]pyridazine
Smiles: Clc1ccc(s1)/C(=N/Nc1ccc2n(n1)cnn2)/C

STK544861
Synonyms: 2- [(E)- 2- (4- fluorophenyl)ethenyl]- 6- iodo- 3- (2- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccccc1n1c(/C=C/c2ccc(cc2)F)nc2c(c1=O)cc(cc2)I

STK544863
Synonyms: 5- [3'- (4- methoxyphenyl)- 1'- phenyl- 5- (thiophen- 2- yl)- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazol- 2- yl]- 5- oxopentanoicacid
Smiles: COc1ccc(cc1)c1nn(cc1C1CC(=NN1C(=O)CCCC(=O)O)c1cccs1)c1ccccc1

STK544865
Synonyms: 3- (3- methoxypropyl)- 11- phenyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccccc1

STK544866
Synonyms: 2- {[3- (3,4- dichlorophenyl)- 5,6- dimethyl- 4- oxo- 3,4- dihydrothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2sc(c(c2c(=O)n1c1ccc(c(c1)Cl)Cl)C)C

STK544867
Synonyms: 2,5- dichloro- N- (3- {[2- (trifluoromethyl)phenyl]amino}quinoxalin- 2- yl)benzenesulfonamide
Smiles: Clc1ccc(c(c1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccccc1C(F)(F)F)Cl

STK544868
Synonyms: 6- iodo- 3- (2- methylphenyl)- 2- [(2- oxo- 2- phenylethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCC(=O)c1ccccc1)c1ccccc1C

STK544869
Synonyms: N- methyl- N- phenyl- 2- [(3,6,6- trimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: O=C(N(c1ccccc1)C)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK544870
Synonyms: 1- (4- bromophenyl)- 2- (furan- 2- yl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: Brc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1ccco1

STK544871
Synonyms: N,N- dimethyl- N'- (5- phenylthieno[2,3- d]pyrimidin- 4- yl)ethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1c(cs2)c1ccccc1)C

STK544872
Synonyms: 2,2'- [(4- methoxy- 3- nitrobenzyl)imino]diethanol
Smiles: OCCN(Cc1ccc(c(c1)[N+](=O)[O-])OC)CCO

STK544873
Synonyms: 2- [(6,6- dimethyl- 4- oxo- 3- phenyl- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (4- phenylbutan- 2- yl)acetamide
Smiles: CC(NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(SC3)(C)C)CCc1ccccc1

STK544874
Synonyms: [(4- chlorophenyl)sulfonyl]{3- [4- (3- phenylpropyl)pyridinium- 1- yl]quinoxalin- 2- yl}azanide
Smiles: Clc1ccc(cc1)S(=O)(=O)[N-]c1nc2ccccc2nc1[n+]1ccc(cc1)CCCc1ccccc1

STK544876
Synonyms: N- (4- butoxyphenyl)- 11- (2- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCCCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1

STK544877
Synonyms: 2- butyl- 3- (2,5- dibromophenyl)quinazolin- 4(3H)- one
Smiles: CCCCc1nc2ccccc2c(=O)n1c1cc(Br)ccc1Br

STK544878
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N'- [(1Z)- 1- (biphenyl- 4- yl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(\c1ccc(cc1)c1ccccc1)/C)CSc1nc2c(o1)cccc2

STK544879
Synonyms: 3- (4- bromophenyl)- 2- phenyltetrahydro- 1H,5H- pyrazolo[1,2- a][1,2,4]triazole- 1- thione
Smiles: Brc1ccc(cc1)C1N(c2ccccc2)C(=S)N2N1CCC2

STK544882
Synonyms: (8S,8aR)- 2- acetyl- 6- amino- 8- (3- ethoxy- 4- propoxyphenyl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: CCCOc1ccc(cc1OCC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C

STK544883
Synonyms: 9'- bromo- 2'- (4- bromophenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1ccc(cc1)Br

STK544885
Synonyms: 2- (3,4- dimethoxyphenyl)- N'- (1- methyl- 1H- pyrazolo[3,4- d]pyrimidin- 4- yl)acetohydrazide
Smiles: COc1cc(ccc1OC)CC(=O)NNc1ncnc2c1cnn2C

STK544886
Synonyms: 3- benzyl- 5- ethyl- 5- methyl- 2- (propylsulfanyl)- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CCCSc1nc2c3ccccc3CC(c2c(=O)n1Cc1ccccc1)(C)CC

STK544887
Synonyms: N- (4- methoxyphenyl)- 2- [(4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544889
Synonyms: 3,7- bis[(2- methylprop- 2- en- 1- yl)sulfanyl]- 11,12- dihydro- 10H- cyclopenta[4,5]thieno[3,2- e]bis[1,2,4]triazolo[4,3- a:4',3'- c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=C)C)nn1)CCC3

STK544890
Synonyms: 2- (5- bromo- 2,4- dimethoxyphenyl)- 4,5- di(thiophen- 2- yl)- 1H- imidazole
Smiles: COc1cc(OC)c(cc1Br)c1[nH]c(c(n1)c1cccs1)c1cccs1

STK544892
Synonyms: 8- ethyl- 9- (pentylsulfanyl)- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: CCCCCSc1nc2sc3c(c2c(=O)n1CC)CCc1c3cccc1

STK544893
Synonyms: 3- amino- N- (naphthalen- 1- yl)- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)Nc1cccc2c1cccc2

STK544894
Synonyms: (2E)- 3- [5- (3- chlorophenyl)furan- 2- yl]- 2- cyano- N- (quinolin- 5- yl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(o1)c1cccc(c1)Cl)/C(=O)Nc1cccc2c1cccn2

STK544895
Synonyms: 2- {[5- (3,4- dimethoxyphenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- naphthalen- 1- ylmethylidene]acetohydrazide
Smiles: COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C/c1cccc2c1cccc2

STK544896
Synonyms: 2- amino- 1- (3,5- dimethylphenyl)- N- (prop- 2- en- 1- yl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: C=CCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(C)cc(c1)C

STK544897
Synonyms: methyl2- [(2- {[(2,4- dichlorophenyl)carbonyl]amino}- 1,1,1,3,3,3- hexafluoropropan- 2- yl)amino]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccc(cc1Cl)Cl

STK544899
Synonyms: N- benzyl- 2- {[5- oxo- 4- (2- phenylethyl)- 7- (propan- 2- yl)- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetamide
Smiles: O=C(CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C)NCc1ccccc1

STK544900
Synonyms: 1- [3- (4- bromophenyl)- 5- (4- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 3- chloropropan- 1- one
Smiles: ClCCC(=O)N1N=C(CC1c1ccc(cc1)OC)c1ccc(cc1)Br

STK544903
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(E)- (9- ethyl- 9H- carbazol- 3- yl)methylidene]acetohydrazide
Smiles: CCn1c2ccc(cc2c2c1cccc2)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)Cl

STK544906
Synonyms: 2- ethyl- 1- [4- (4- fluorobenzyl)piperazin- 1- yl]- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)Cc1ccc(cc1)F)c1ccccc1n2

STK544907
Synonyms: ethyl(1S,3S,3aR)- 1- [(4- chlorophenyl)carbonyl]- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: CCOC(=O)[C@H]1C[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl

STK544908
Synonyms: 9- [(4- bromobenzyl)sulfanyl]- 8- (3- methylphenyl)- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: Cc1cccc(c1)n1c(SCc2ccc(cc2)Br)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK544909
Synonyms: (Z)- N- [(10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[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)sc2c1CC(C)(C)OC2

STK544910
Synonyms: 2- (5- bromo- 2,4- dimethoxyphenyl)- 4- (3,4- dimethylphenyl)- 5- phenyl- 1H- imidazole
Smiles: COc1cc(OC)c(cc1c1[nH]c(c(n1)c1ccc(c(c1)C)C)c1ccccc1)Br

STK544912
Synonyms: 3- {[(E)- (4- butoxyphenyl)methylidene]amino}- 8- chloro- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCCCOc1ccc(cc1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK544913
Synonyms: N- [4- (acetylamino)phenyl]- 2- [(4- oxo- 3- phenyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK544914
Synonyms: (6aR,6bS,9aR,10S)- N,8- bis(4- chlorophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2c3ccccc3C=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

STK544915
Synonyms: N- benzyl- 2- cyano- 2- [3- (piperidin- 1- yl)quinoxalin- 2- yl]acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCCCC1)C(=O)NCc1ccccc1

STK544916
Synonyms: N- [1- (1H- benzimidazol- 2- yl)butyl]- 3- nitrobenzamide
Smiles: CCCC(c1nc2c([nH]1)cccc2)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK544917
Synonyms: 8- benzyl- 4- (3- methylphenyl)- 1- [(2- oxo- 2- phenylethyl)sulfanyl]- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1cccc(c1)n1c(=O)c2c3CCN(Cc3sc2n2c1nnc2SCC(=O)c1ccccc1)Cc1ccccc1

STK544918
Synonyms: methyl5- (4- nitrophenyl)- 1,2- oxazole- 3- carboxylate
Smiles: COC(=O)c1noc(c1)c1ccc(cc1)[N+](=O)[O-]

STK544919
Synonyms: methyl(2E)- 3,3,3- trifluoro- 2- (6- methyl- 4- oxo- 4H- [1,3]oxathiolo[4,5- c]pyran- 2- ylidene)propanoate
Smiles: COC(=O)/C(=C\1/Oc2c(S1)c(=O)oc(c2)C)/C(F)(F)F

STK544920
Synonyms: 6- chloro- 2- [3- (4- chlorophenyl)- 5- (furan- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- phenylquinazoline
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1nc2ccc(cc2c(n1)c1ccccc1)Cl

STK544921
Synonyms: (2E)- 2- cyano- 3- (2- hydroxyphenyl)- N- (pyridin- 3- yl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccccc1O)/C(=O)Nc1cccnc1

STK544922
Synonyms: 2- (4- chloro- 3- nitrophenyl)tetrahydro- 1H- 4,7- ethanoisoindole- 1,3,5,8(2H,4H)- tetrone
Smiles: O=C1CC2C(=O)CC1C1C2C(=O)N(C1=O)c1ccc(c(c1)[N+](=O)[O-])Cl

STK544924
Synonyms: (3aR,6aS)- 5- (2- methoxy- 5- nitrophenyl)- 3- (4- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-]

STK544925
Synonyms: N- (4- {[(2E)- 2- (4- bromobenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
Smiles: Brc1ccc(cc1)/C=N/NC(=O)c1ccc(cc1)NC(=O)c1ccccc1

STK544926
Synonyms: 6- ethyl- 2- ({[(3- fluorophenyl)carbonyl]carbamothioyl}amino)- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)c1cccc(c1)F

STK544927
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N'- [(1E)- 1- (4- bromophenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(/c1ccc(cc1)Br)\C)CSc1nc2c(o1)cccc2

STK544928
Synonyms: 6- iodo- 3- (3- methylphenyl)- 2- (propylsulfanyl)quinazolin- 4(3H)- one
Smiles: CCCSc1nc2ccc(cc2c(=O)n1c1cccc(c1)C)I

STK544929
Synonyms: {4- [(4- chlorophenyl)sulfonyl]phenyl}(8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)methanone
Smiles: Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCn2c3C1CCCc3c1c2ccc(c1)C

STK544930
Synonyms: (2Z)- 2- cyano- 2- [5- (2,3- dichlorobenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- N- (2- fluorophenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1cccc(c1Cl)Cl)/C(=O)Nc1ccccc1F

STK544931
Synonyms: 6- iodo- 3- (2- methoxyphenyl)- 2- [(2- phenylethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: COc1ccccc1n1c(SCCc2ccccc2)nc2c(c1=O)cc(cc2)I

STK544932
Synonyms: 3- (3- methylphenyl)- 2- (propylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK544933
Synonyms: 5- (2- fluorophenyl)- 4- (2- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccccc1n1c(=S)[nH]nc1c1ccccc1F

STK544934
Synonyms: 9- (4- methoxyphenyl)- 2- [3- (trifluoromethyl)phenyl]tetrahydro- 5H- pyrazolo[1,2- a]pyrrolo[3,4- c]pyrazole- 1,3(2H,3aH)- dione
Smiles: COc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

STK544935
Synonyms: 1- [3,5- bis(4- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 2- (pyrrolidin- 1- yl)ethanone
Smiles: COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)OC)C(=O)CN1CCCC1

STK544936
Synonyms: N- (2- {[2- (cyclopropylamino)- 2- oxoethyl]sulfanyl}- 1,3- benzothiazol- 6- yl)- 2- [(4- oxo- 3- phenyl- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: O=C(NC1CC1)CSc1nc2c(s1)cc(cc2)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3

STK544939
Synonyms: 2- {4- [(4- bromophenyl)sulfonyl]piperazin- 1- yl}- N'- [(E)- (3- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br

STK544940
Synonyms: 9- [(4- bromobenzyl)sulfanyl]- 8- cyclohexyl- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: Brc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCc1c3cccc1

STK544941
Synonyms: 7- chloro- 4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: Clc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544942
Synonyms: (2- chlorophenyl)[5- (furan- 2- yl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccccc1Cl

STK544943
Synonyms: 2- chloro- 7- ethoxy- 3- [3- phenyl- 1- (phenylsulfonyl)- 4,5- dihydro- 1H- pyrazol- 5- yl]quinoline
Smiles: CCOc1ccc2c(c1)nc(c(c2)C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1)Cl

STK544944
Synonyms: ethyl2- {[3- (4- benzylpiperidin- 1- yl)quinoxalin- 2- yl]amino}- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCC(CC2)Cc2ccccc2)sc(c1C)C

STK544946
Synonyms: (1'R,2'S,3R)- 2'- [(4- fluorophenyl)carbonyl]- 1'- [(3- nitrophenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2C([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STK544947
Synonyms: (6aR,6bS,9aR,10S)- 10- acetyl- 8- (4- chlorophenyl)- 3- methoxy- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C)[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

STK544948
Synonyms: N- {1- [1- (3- chlorobenzyl)- 1H- benzimidazol- 2- yl]- 2- phenylethyl}benzamide
Smiles: Clc1cccc(c1)Cn1c(nc2c1cccc2)C(NC(=O)c1ccccc1)Cc1ccccc1

STK544951
Synonyms: 1,3- bis(4- chlorophenyl)- 6,6- diphenyl- 3- azabicyclo[3.1.0]hexane- 2,4- dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)(C2(c1ccccc1)c1ccccc1)c1ccc(cc1)Cl

STK544952
Synonyms: ethyl4- [({[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK544953
Synonyms: ethyl(2Z)- 2- {[1- (4- bromophenyl)- 2,5- diphenyl- 1H- pyrrol- 3- yl]methylidene}- 7- methyl- 5- (4- methylphenyl)- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)/c(=C/c1cc(n(c1c1ccccc1)c1ccc(cc1)Br)c1ccccc1)/s2

STK544954
Synonyms: (4Z)- 2,6- bis(4- chlorophenyl)- N- hydroxy- 3- methylpiperidin- 4- imine
Smiles: O/N=C\1/CC(NC(C1C)c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK544955
Synonyms: ethyl2- {[(3- bromophenyl)carbonyl]amino}- 1- pentyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCCn1c2nc3ccccc3nc2c(c1NC(=O)c1cccc(c1)Br)C(=O)OCC

STK544956
Synonyms: (4Z)- 1- (2- hydroxyethyl)- 4- (1- hydroxyethylidene)- 5- (3- nitrophenyl)pyrrolidine- 2,3- dione
Smiles: OCCN1C(=O)C(=O)/C(=C(\O)/C)/C1c1cccc(c1)[N+](=O)[O-]

STK544957
Synonyms: N'- [(1E,2E)- 3- (2- methoxyphenyl)prop- 2- en- 1- ylidene]- 2- [4- (4- methylbenzyl)piperazin- 1- yl]acetohydrazide
Smiles: COc1ccccc1/C=C/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C

STK544958
Synonyms: methyl(1S,2S,3S)- 3- [(4- chlorophenyl)carbamoyl]- 1- cyano- 2- phenyl- 1,2,3,10b- tetrahydropyrrolo[2,1- a]isoquinoline- 1- carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@H](N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl

STK544959
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 9- (2- nitrophenyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: [O-][N+](=O)c1ccccc1n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK544960
Synonyms: 3- {(Z)- [3- (3- ethoxypropyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 2- {[3- (1H- imidazol- 1- yl)propyl]amino}- 9- methyl- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCOCCCN1C(=S)S/C(=C\c2c(NCCCn3ccnc3)nc3n(c2=O)cccc3C)/C1=O

STK544963
Synonyms: 4- [4- (3- fluoro- 4- methoxybenzyl)piperazin- 1- yl]- 1- methyl- 3- nitroquinolin- 2(1H)- one
Smiles: COc1ccc(cc1F)CN1CCN(CC1)c1c([N+](=O)[O-])c(=O)n(c2c1cccc2)C

STK544964
Synonyms: 11- (3- bromophenyl)- N- (4- ethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)Br)c(nn1c1ccccc1)C

STK544965
Synonyms: N- [4- (acetylamino)phenyl]- 2- {[3- (3- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK544966
Synonyms: 11- (2- fluorophenyl)- 10- methyl- N- (2- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1ccccc1Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2F)c(nn1c1ccccc1)C

STK544968
Synonyms: N'- [(E)- (2- hydroxynaphthalen- 1- yl)methylidene]- 4- (propan- 2- yloxy)benzohydrazide
Smiles: CC(Oc1ccc(cc1)C(=O)N/N=C/c1c(O)ccc2c1cccc2)C

STK544969
Synonyms: N- {1- benzyl- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}- 4- chlorobenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)Cl)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK544970
Synonyms: diphenylmethyl(6aS,6bR,9aS,10R)- 8- [4- (acetyloxy)phenyl]- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxylate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)OC(c2ccccc2)c2ccccc2)c2ccccc2C=C1

STK544971
Synonyms: N- (4- ethoxyphenyl)- 10- methyl- 8,11- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2)c(nn1c1ccccc1)C

STK544972
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK544973
Synonyms: diphenylmethyl(1'R,2'S,3R)- 2'- (1,3- benzodioxol- 5- ylcarbonyl)- 2- oxo- 1,1',2,2'- tetrahydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinoline]- 1'- carboxylate
Smiles: O=C([C@@H]1N2c3ccccc3C=CC2[C@]2([C@@H]1C(=O)c1ccc3c(c1)OCO3)C(=O)Nc1c2cccc1)OC(c1ccccc1)c1ccccc1

STK544974
Synonyms: (4E)- 5- (2,3- dimethoxyphenyl)- 4- [hydroxy(4- methoxyphenyl)methylidene]- 1- [3- (morpholin- 4- yl)propyl]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)CCCN1CCOCC1)/O

STK544975
Synonyms: 3,11- dibenzyl- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1nc2n(Cc3ccccc3)c3c(c2c(=O)n1Cc1ccccc1)nc1c(n3)cccc1

STK544976
Synonyms: 2- (8- cyclohexyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)- N'- [(E)- phenylmethylidene]acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1)N/N=C/c1ccccc1

STK544977
Synonyms: (4Z)- 1- (3- bromophenyl)- 4- {[5- (4- methoxy- 2- nitrophenyl)furan- 2- yl]methylidene}pyrazolidine- 3,5- dione
Smiles: COc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=C\1/C(=O)NN(C1=O)c1cccc(c1)Br

STK544978
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N'- [(1Z)- 1- (3- methoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1cccc(c1)/C(=N\NC(=O)CSc1nc2c(o1)cccc2)/C

STK544979
Synonyms: N- {1- [(2E)- 2- (4- fluorobenzylidene)hydrazinyl]- 3- methyl- 1- oxobutan- 2- yl}- 3,4,5- trimethoxybenzamide(non- preferredname)
Smiles: COc1cc(cc(c1OC)OC)C(=O)NC(C(=O)N/N=C/c1ccc(cc1)F)C(C)C

STK544980
Synonyms: 2- [(E)- 2- (2- chlorophenyl)ethenyl]- 6- iodo- 3- (2- methylphenyl)quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1Cl)c1ccccc1C

STK544983
Synonyms: ethyl3- {[(4- chlorophenyl)carbamoyl]amino}- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Nc1ccc(cc1)Cl)cc(cc2)OC

STK544985
Synonyms: 1- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 4- (2- phenylethyl)- 7- (propan- 2- yl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(C1OCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccc(cc3)Br)nnc2n(c1=O)CCc1ccccc1)C

STK544987
Synonyms: 2- methoxy- 4- [(E)- {2- [({5- [(4- methylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)acetyl]hydrazinylidene}methyl]phenylacetate
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(s2)SCc2ccc(cc2)C)ccc1OC(=O)C

STK544988
Synonyms: 5- [5- (2- chloro- 6- methoxyquinolin- 3- yl)- 3- (4- chlorophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1C(=O)CCCC(=O)O)c1ccc(cc1)Cl

STK544989
Synonyms: 2- [4- (2- chlorobenzyl)piperazin- 1- yl]- N'- [(1Z)- 1- (2,4- dichlorophenyl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C(\c1ccc(cc1Cl)Cl)/C

STK544990
Synonyms: 10,10- dimethyl- 2- (phenoxymethyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nc(n2)COc1ccccc1

STK544991
Synonyms: 2- (2- chloro- 6- fluorophenyl)- 5- (2,5- dimethylphenyl)- 4- phenyl- 1H- imidazole
Smiles: Cc1ccc(c(c1)c1[nH]c(nc1c1ccccc1)c1c(F)cccc1Cl)C

STK544992
Synonyms: ethyl2- ({(2E)- 2- cyano- 3- [5- (3- nitrophenyl)furan- 2- yl]prop- 2- enoyl}amino)- 4- (4- methylphenyl)thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)/C(=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/C#N

STK544994
Synonyms: methyl4- {[(acenaphtho[1,2- e][1,2,4]triazin- 9- ylsulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc2c(n1)c1cccc3c1c2ccc3

STK544995
Synonyms: 1- (heptylsulfanyl)- 4- (2- phenylethyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3

STK544997
Synonyms: N- (4- bromophenyl)- 2- {[5- oxo- 4- (2- phenylethyl)- 7- (propan- 2- yl)- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C

STK544998
Synonyms: 2- amino- N- (4- fluorobenzyl)- 1- hexyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1ccc(cc1)F

STK544999
Synonyms: {11- [2- (benzyloxy)phenyl]- 1- hydroxy- 3,3- dimethyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl}(phenyl)methanone
Smiles: OC1=C2C(=Nc3c(N(C2c2ccccc2OCc2ccccc2)C(=O)c2ccccc2)cccc3)CC(C1)(C)C

STK545000
Synonyms: N- (4- phenylbutan- 2- yl)- 2- {[5- (propan- 2- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}acetamide
Smiles: CC(NC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C)CCc1ccccc1

STK545001
Synonyms: 2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 8,8- dimethyl- 3- (4- methylphenyl)- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK545002
Synonyms: N'- [(E)- (2,6- dichlorophenyl)methylidene]- 2- [4- (4- methylbenzyl)piperazin- 1- yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C/c1c(Cl)cccc1Cl

STK545003
Synonyms: N- [4- ({10- methyl- 8- phenyl- 11- [4- (propan- 2- yl)phenyl]- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl}amino)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)C)c(nn1c1ccccc1)C

STK545004
Synonyms: methyl7- (3- chlorophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: COC(=O)C1=NNC2(C1)CC(=O)N(C2=O)c1cccc(c1)Cl

STK545005
Synonyms: 3- benzyl- 6- iodo- 2- [(E)- 2- (1- methyl- 1H- indol- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cn(c2c1cccc2)C)Cc1ccccc1

STK545006
Synonyms: N- [1- (1H- benzimidazol- 2- yl)butyl]- 3- bromobenzamide
Smiles: CCCC(c1nc2c([nH]1)cccc2)NC(=O)c1cccc(c1)Br

STK545007
Synonyms: 2- [(E)- 2- (2- chlorophenyl)ethenyl]- 6- iodo- 3- (4- nitrophenyl)quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1Cl)c1ccc(cc1)[N+](=O)[O-]

STK545008
Synonyms: 1- (4- butylphenyl)- 2- (4- nitrophenyl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: CCCCc1ccc(cc1)n1c(nc2c1nc1ccccc1n2)c1ccc(cc1)[N+](=O)[O-]

STK545010
Synonyms: 6- {(2Z)- 2- [1- (4- ethoxyphenyl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3- b]pyridazine
Smiles: CCOc1ccc(cc1)/C(=N\Nc1ccc2n(n1)cnn2)/C

STK545011
Synonyms: methyl(3- oxo- 1- {4- oxo- 3- [(Z)- (4- oxo- 3- pentyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 4H- pyrido[1,2- a]pyrimidin- 2- yl}piperazin- 2- yl)acetate
Smiles: CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCNC(=O)C2CC(=O)OC)/C1=O

STK545012
Synonyms: 2- {[3- (2- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccccc1n1c(SCC(=O)N)nc2c(c1=O)cccc2

STK545013
Synonyms: 2- methoxy- 5- {(E)- [2- (4- methylquinolin- 2- yl)hydrazinylidene]methyl}phenol
Smiles: COc1ccc(cc1O)/C=N/Nc1cc(C)c2c(n1)cccc2

STK545014
Synonyms: 4- [4- (3,4- dimethylphenyl)- 5- phenyl- 1H- imidazol- 2- yl]- 2- ethoxyphenol
Smiles: CCOc1cc(ccc1O)c1[nH]c(c(n1)c1ccc(c(c1)C)C)c1ccccc1

STK545015
Synonyms: 3- (2- chlorophenyl)- 8- [(diethylamino)methyl]- 7- hydroxy- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CCN(Cc1c(O)ccc2c1oc(c(c2=O)c1ccccc1Cl)C(F)(F)F)CC

STK545016
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- methyl- N'- [(E)- {3- [(2- methylbenzyl)oxy]phenyl}methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1C)c1nonc1N)N/N=C/c1cccc(c1)OCc1ccccc1C

STK545017
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N- [2- chloro- 5- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nnc(s1)SCc1ccccc1

STK545018
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 10- methyl- 8- phenyl- 11- (3,4,5- trimethoxyphenyl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cc(cc(c1OC)OC)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(c(c1)Cl)OC)nc1c2cccc1

STK545019
Synonyms: ethyl4- {[4- (benzyloxy)phenyl]amino}- 8- methylquinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)OCc1ccccc1)cccc2C

STK545020
Synonyms: 2- {[3- cyano- 6- phenyl- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc(cc(c1C#N)c1cccs1)c1ccccc1

STK545021
Synonyms: 4- (2- methylphenyl)- 6- oxo- 2- {[2- oxo- 2- (2- oxo- 2H- chromen- 3- yl)ethyl]sulfanyl}- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCC(=O)c2cc3ccccc3oc2=O)NC(=O)CC1c1ccccc1C

STK545022
Synonyms: 11- (3,4- dimethylphenyl)- 3- (3,5- dimethylphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1cc(C)cc(c1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)C)C

STK545023
Synonyms: [3- amino- 4- (thiophen- 2- yl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridin- 2- yl](4- methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1

STK545025
Synonyms: 1- (9H- carbazol- 9- yl)- 3- {4- [2- (4- methylphenoxy)ethyl]piperazin- 1- yl}propan- 2- ol
Smiles: Cc1ccc(cc1)OCCN1CCN(CC1)CC(Cn1c2ccccc2c2c1cccc2)O

STK545026
Synonyms: ethyl5- methyl- 3- {[(2- nitrophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1[N+](=O)[O-])cc(cc2)C

STK545027
Synonyms: 2- [(5Z)- 5- (4- methoxybenzylidene)- 2,4- dioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: COc1ccc(cc1)/C=C/1\SC(=O)N(C1=O)C(C(=O)O)C

STK545028
Synonyms: 3- [(4- chlorophenyl)sulfonyl]- 1- [2- (3,4- dimethoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: COc1cc(ccc1OC)CCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)Cl

STK545029
Synonyms: propan- 2- yl2- amino- 1- cyclohexyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)C1CCCCC1)C

STK545030
Synonyms: methyl5- chloro- 3- ({[3- (trifluoromethyl)phenyl]carbonyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C(F)(F)F)cc(cc2)Cl

STK545032
Synonyms: N- (2,5- dimethylphenyl)- 10- methyl- 8- phenyl- 11- (3,4,5- trimethoxyphenyl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cc(cc(c1OC)OC)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(C)ccc1C)nc1c2cccc1

STK545034
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (4- bromo- 2- methylphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2C)Br)nc(c(c1c1cccs1)C#N)N

STK545036
Synonyms: methyl3- {[(2- phenylcyclopropyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1CC1c1ccccc1)cccc2

STK545037
Synonyms: 2- imino- N,10- dimethyl- 1- (4- methylbenzyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: CNC(=O)c1cc2c(n(c1=N)Cc1ccc(cc1)C)nc1n(c2=O)cccc1C

STK545038
Synonyms: 4- acetyl- 3- hydroxy- 1- [3- (morpholin- 4- yl)propyl]- 5- (3- nitrophenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CC(=O)C1=C(O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCCN1CCOCC1

STK545039
Synonyms: methyl4- {3- [2- (4- methoxyphenyl)- 4- oxoquinazolin- 3(4H)- yl]propoxy}benzoate
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(cc1)C(=O)OC

STK545040
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [5- (5- chloro- 2- nitrophenyl)furan- 2- yl]methylidene}- 5- [(phenylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Clc1ccc(c(c1)c1ccc(o1)/C=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N)[N+](=O)[O-]

STK545041
Synonyms: 3- tert- butyl- 7- ({2- [4- (2- methoxyphenyl)piperazin- 1- yl]ethyl}amino)- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: COc1ccccc1N1CCN(CC1)CCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C

STK545042
Synonyms: 11- (2- methoxybenzyl)- 3- (2- methoxyphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccccc1Cn1c2nc3ccccc3nc2c2c1ncn(c2=O)c1ccccc1OC

STK545043
Synonyms: 2,2'- [ethene- 1,1- diylbis(benzene- 4,1- diyloxy)]diethanol
Smiles: OCCOc1ccc(cc1)C(=C)c1ccc(cc1)OCCO

STK545046
Synonyms: (5E)- 5- [(dimethylcarbamoyl)imino]- 3- (1- phenylpropan- 2- yl)- 4,5- dihydro- 1,2,3- oxadiazol- 3- ium- 4- ide
Smiles: CC([N+]1=NO/C(=N/C(=O)N(C)C)/[CH-]1)Cc1ccccc1

STK545048
Synonyms: ethyl2- [({[3- cyano- 6- methyl- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydro- 1,6- naphthyridin- 2- yl]sulfanyl}acetyl)amino]- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nc3CCN(Cc3c(c2C#N)c2cccs2)C)sc2c1CCC2

STK545049
Synonyms: 2- (4- benzylpiperazin- 1- yl)anthracene- 1,4- dione
Smiles: O=C1C=C(N2CCN(CC2)Cc2ccccc2)C(=O)c2c1cc1ccccc1c2

STK545050
Synonyms: ethyl2- {[bromo(phenyl)acetyl]amino}- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C(c2ccccc2)Br)sc2c1CC(C)(C)OC2

STK545051
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [3- methoxy- 4- (naphthalen- 1- ylmethoxy)phenyl]methylidene}- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCOCC2)c2nonc2N)ccc1OCc1cccc2c1cccc2

STK545053
Synonyms: 2- (4- methoxyphenyl)- 3- [3- (2- nitrophenoxy)propyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccccc1[N+](=O)[O-]

STK545054
Synonyms: N- {1- (3- butoxypropyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}- 4- nitrobenzenesulfonamide
Smiles: CCCCOCCCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)c1ccc(cc1)C

STK545055
Synonyms: (4Z)- 4- (3,5- dibromo- 4- ethoxybenzylidene)- 2- (thiophen- 2- yl)- 1,3- oxazol- 5(4H)- one
Smiles: CCOc1c(Br)cc(cc1Br)/C=C/1\N=C(OC1=O)c1cccs1

STK545056
Synonyms: 2- amino- 1- (3,4- dichlorophenyl)- N- [2- (4- methoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1ccc(cc1)CCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)Cl

STK545057
Synonyms: 4- methyl- 7- (2- {[2- (piperidin- 1- yl)ethyl]sulfanyl}ethoxy)- 2H- chromen- 2- one
Smiles: O=c1cc(C)c2c(o1)cc(cc2)OCCSCCN1CCCCC1

STK545058
Synonyms: (5E)- 5- {4- [(4- nitrobenzyl)oxy]benzylidene}- 2- (4- phenylpiperazin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C/c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1

STK545059
Synonyms: prop- 2- en- 1- yl2- amino- 1- benzyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK545061
Synonyms: methyl(1R,2R,3S,3aS)- 1- [(3- bromo- 4- methoxyphenyl)carbonyl]- 3- cyano- 2- (4- nitrophenyl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(c(c1)Br)OC

STK545062
Synonyms: 1- (4- acetylphenyl)- 4- [(4- chlorophenyl)carbonyl]- 3- hydroxy- 5- (4- nitrophenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Clc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)C(=O)C

STK545063
Synonyms: methyl4- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(dimethylamino)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN(C)C)c1nonc1N

STK545064
Synonyms: N- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)carbamothioyl]thiophene- 2- carboxamide
Smiles: S=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)NC(=O)c1cccs1

STK545065
Synonyms: 2- [(6,6- dimethyl- 2- phenyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK545066
Synonyms: 6,6- dimethyl- 2- phenyl- 4- (prop- 2- en- 1- ylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: C=CCSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK545067
Synonyms: 4- amino- N'- {(1E)- 1- [4- (naphthalen- 1- ylmethoxy)phenyl]ethylidene}- 1,2,5- oxadiazole- 3- carbohydrazonamide
Smiles: C/C(=N\N=C(\c1nonc1N)/N)/c1ccc(cc1)OCc1cccc2c1cccc2

STK545068
Synonyms: 2- chloro- N- {1- [1- (2- chlorobenzyl)- 1H- benzimidazol- 2- yl]ethyl}benzamide
Smiles: Clc1ccccc1Cn1c(nc2c1cccc2)C(NC(=O)c1ccccc1Cl)C

STK545069
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N- (2- fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(s1)SCc1ccccc1

STK545070
Synonyms: 2,5- bis(1H- benzotriazol- 1- yl)- 3,6- bis{[3- (trifluoromethyl)phenyl]amino}cyclohexa- 2,5- diene- 1,4- dione
Smiles: O=C1C(=C(Nc2cccc(c2)C(F)(F)F)C(=O)C(=C1Nc1cccc(c1)C(F)(F)F)n1nnc2c1cccc2)n1nnc2c1cccc2

STK545071
Synonyms: 3- (2- {[(4- tert- butylphenyl)carbonyl]amino}- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl)propyl4- tert- butylbenzoate
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NC(=O)c2ccc(cc2)C(C)(C)C)n(c2c1nc1ccccc1n2)CCCOC(=O)c1ccc(cc1)C(C)(C)C

STK545072
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 11- (2- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2F)c(nn1c1ccccc1)C

STK545073
Synonyms: propan- 2- yl2- amino- 1- (3- methoxypropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCCn1c2nc3ccccc3nc2c(c1N)C(=O)OC(C)C

STK545074
Synonyms: 1- {4- [2- (3- methoxyphenoxy)ethyl]piperazin- 1- yl}- 3- methyl- 2- (3- methylbutyl)pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: COc1cccc(c1)OCCN1CCN(CC1)c1c(CCC(C)C)c(C)c(c2n1c1ccccc1n2)C#N

STK545075
Synonyms: N- [4- (acetylamino)phenyl]- 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545077
Synonyms: (4E)- 4- (3,4- diethoxybenzylidene)- 2- (4- methylphenyl)- 1,3- oxazol- 5(4H)- one
Smiles: CCOc1cc(ccc1OCC)/C=C\1/N=C(OC1=O)c1ccc(cc1)C

STK545078
Synonyms: 3- hydroxy- 5- (4- methoxyphenyl)- 4- [(4- methylphenyl)carbonyl]- 1- (2- phenylethyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1ccc(cc1)C1N(CCc2ccccc2)C(=O)C(=C1C(=O)c1ccc(cc1)C)O

STK545080
Synonyms: N- {1- (3- butoxypropyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}- 4- fluorobenzenesulfonamide
Smiles: CCCCOCCCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)F)S(=O)(=O)c1ccc(cc1)C

STK545081
Synonyms: 4- bromo- 2- [(E)- (cyclohexylimino)(phenyl)methyl]aniline
Smiles: Brc1ccc(c(c1)/C(=N/C1CCCCC1)/c1ccccc1)N

STK545082
Synonyms: 4- {6- [(2,4- dimethoxyphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzene- 1,2- diol
Smiles: COc1ccc(c(c1)OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)O)O)c(nn1c1ccccc1)C

STK545083
Synonyms: methyl[(5- ethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nnc2n1c(CC)nc1c2c2CCCCc2s1

STK545084
Synonyms: N'- [(E)- {2- [(4- bromobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 2- [(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]acetohydrazide
Smiles: COc1cccc(c1OCc1ccc(cc1)Br)/C=N/NC(=O)CSc1nnc(s1)C

STK545085
Synonyms: propan- 2- yl2- amino- 1- (3- methylbutyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CC(CCn1c2nc3ccccc3nc2c(c1N)C(=O)OC(C)C)C

STK545086
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- [(3- chlorobenzyl)oxy]phenyl}methylidene]- 5- (piperidin- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Clc1cccc(c1)COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N

STK545088
Synonyms: bis[5- methyl- 2- (propan- 2- yl)cyclohexyl]{hydroxy[2- (trifluoromethyl)phenyl]methyl}phosphonate
Smiles: CC1CCC(C(C1)OP(=O)(C(c1ccccc1C(F)(F)F)O)OC1CC(C)CCC1C(C)C)C(C)C

STK545089
Synonyms: 2- (ethylsulfanyl)- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCSc1nc2c3ccccc3CC3(c2c(=O)n1CCC)CCCCC3

STK545090
Synonyms: 3- [2- (2,3- dimethylphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1cccc(c1C)C

STK545091
Synonyms: N- (2- fluorophenyl)- 2- (3- nitrophenyl)quinazolin- 4- amine
Smiles: Fc1ccccc1Nc1nc(nc2c1cccc2)c1cccc(c1)[N+](=O)[O-]

STK545092
Synonyms: N- [(3- cyano- 5,6,7,8- tetrahydro- 4H- cyclohepta[b]thiophen- 2- yl)carbamothioyl]- 3,4,5- trimethoxybenzamide
Smiles: N#Cc1c(NC(=S)NC(=O)c2cc(OC)c(c(c2)OC)OC)sc2c1CCCCC2

STK545093
Synonyms: (5E)- 2- [4- (2- methylphenyl)piperazin- 1- yl]- 5- {4- [(4- nitrobenzyl)oxy]benzylidene}- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C/c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1C

STK545094
Synonyms: 4- butyl- 7- chloro- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncnc3Cl

STK545095
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (4- chlorophenyl)methylidene]- 5- [(diethylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)Cl)CC

STK545096
Synonyms: 6- methyl- 3- [(2- methylpiperidin- 1- yl)methyl]- 2- phenylquinolin- 4- ol
Smiles: Cc1ccc2c(c1)c(O)c(c(n2)c1ccccc1)CN1CCCCC1C

STK545097
Synonyms: 2- {[3- cyano- 4- (3- ethoxy- 4- hydroxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: CCOc1cc(ccc1O)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1cccc(c1)OC

STK545098
Synonyms: N'- [(E)- {2- [(4- bromobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 2- (5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: COc1cccc(c1OCc1ccc(cc1)Br)/C=N/NC(=O)Cn1nc(cc1C)[N+](=O)[O-]

STK545099
Synonyms: (8S,8aR,11aS)- 8- [(4- chlorophenyl)carbonyl]- 10- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc2c(c1)OCCO2

STK545100
Synonyms: (5E)- 5- {[2- (2- hydroxyethyl)hydrazinyl]methylidene}- 1- methylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: OCCNN/C=C/1\C(=O)NC(=O)N(C1=O)C

STK545101
Synonyms: (8S,8aR,11aS)- 10- (4- bromophenyl)- 8- [(4- chlorophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2N=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br)cccc3

STK545102
Synonyms: (8S,8aR,11aS)- 10- (2- methoxyphenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccccc2)N=Cc2c1cccc2

STK545103
Synonyms: N'- [(1E)- 1- (4- methoxyphenyl)ethylidene]- 4- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)methyl]benzohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-])/C

STK545104
Synonyms: N- (3,4- dimethoxyphenyl)- 2- ({5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(s1)SCc1cccc2c1cccc2

STK545106
Synonyms: ethyl(8R,8aR)- 6- amino- 5,7,7- tricyano- 8- (2,4- difluorophenyl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(cc1F)F)C(C(=C2C#N)N)(C#N)C#N

STK545107
Synonyms: diethyl4- ({4- [(4- chlorobenzyl)oxy]phenyl}amino)quinoline- 3,6- dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)OCc1ccc(cc1)Cl)cc(cc2)C(=O)OCC

STK545109
Synonyms: 3,6- diamino- 2- [(4- bromophenyl)carbonyl]- 4- (4- methoxyphenyl)thieno[2,3- b]pyridine- 5- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1ccc(cc1)OC)c(N)c(s2)C(=O)c1ccc(cc1)Br

STK545111
Synonyms: [(4- bromophenyl)sulfonyl][3- (3,5- dimethylpyridinium- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl]azanide
Smiles: Brc1ccc(cc1)S(=O)(=O)[N-]C1=C([n+]2cc(C)cc(c2)C)C(=O)c2c(C1=O)cccc2

STK545112
Synonyms: (3aR,4S,9aR,9bS)- 4- [(3- bromo- 4- methoxyphenyl)carbonyl]- 2- (2,4- dichlorophenyl)- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)C(=O)c1ccccc1

STK545113
Synonyms: (2E)- N- {[4- (carbamimidoylsulfamoyl)phenyl]carbamothioyl}- 3- (4- methylphenyl)prop- 2- enamide
Smiles: NC(=N)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)C

STK545115
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (2,5- dichlorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc(c(c1c1cccs1)C#N)N

STK545116
Synonyms: 6- methyl- 3- [(3- methylpiperidin- 1- yl)methyl]- 2- phenylquinolin- 4- ol
Smiles: CC1CCCN(C1)Cc1c(nc2c(c1O)cc(cc2)C)c1ccccc1

STK545117
Synonyms: methyl5- (4- iodophenyl)- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(cc1)I

STK545118
Synonyms: (8S,8aR,11aS)- 8- [(4- chlorophenyl)carbonyl]- 10- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1N=Cc1c2cccc1)c1ccc2c(c1)OCCO2

STK545119
Synonyms: 2- (pyrrolidin- 1- yl)- N- (tricyclo[3.3.1.1~3,7~]dec- 1- ylmethyl)acetamide
Smiles: O=C(CN1CCCC1)NCC12CC3CC(C2)CC(C1)C3

STK545120
Synonyms: 11- (2- chlorobenzyl)- 3- (tetrahydrofuran- 2- ylmethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Clc1ccccc1Cn1c2nc3ccccc3nc2c2c1ncn(c2=O)CC1CCCO1

STK545121
Synonyms: 5- bromo- N'- [(3Z)- 5- bromo- 1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]pyridine- 3- carbohydrazide
Smiles: Brc1cncc(c1)C(=O)N/N=C\1/c2cc(Br)ccc2N(C1=O)C

STK545123
Synonyms: (3aR,4S,9aR,9bS)- 4- [(4- chlorophenyl)carbonyl]- 2- (naphthalen- 2- yl)- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2)C(=O)c1ccccc1

STK545124
Synonyms: (1'R,2'R)- 2'- (4- bromophenyl)- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: Brc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

STK545125
Synonyms: 4- {2- [(2E)- 2- (3,4- dimethoxybenzylidene)hydrazinyl]- 2- oxoethoxy}- N'- [(E)- (3,4- dimethoxyphenyl)methylidene]benzohydrazide
Smiles: COc1ccc(cc1OC)/C=N/NC(=O)COc1ccc(cc1)C(=O)N/N=C/c1ccc(c(c1)OC)OC

STK545126
Synonyms: ethyl(3Z)- 3- {2- [(2- {[(5- chloro- 2- methoxyphenyl)carbonyl]amino}phenyl)carbonyl]hydrazinylidene}- 2- oxo- 2,3- dihydro- 1H- indole- 1- carboxylate
Smiles: CCOC(=O)N1C(=O)/C(=N\NC(=O)c2ccccc2NC(=O)c2cc(Cl)ccc2OC)/c2c1cccc2

STK545127
Synonyms: 1- (benzyloxy)- 3- (3,4- dimethoxyphenyl)quinoxalin- 2(1H)- one4- oxide
Smiles: COc1cc(ccc1OC)c1c(=O)n(OCc2ccccc2)c2c([n+]1[O-])cccc2

STK545128
Synonyms: N,N- diethyl- 2- {[3- (2- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1OC)CCCCC3)CC

STK545129
Synonyms: 9- (hexylsulfanyl)- 8- (2- methylprop- 2- en- 1- yl)- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: CCCCCCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCc1c3cccc1

STK545130
Synonyms: 2- (pentylsulfanyl)- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCn1c(SCCCCC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545131
Synonyms: dimethyl2- ({(2Z)- 2- cyano- 3- [4- (propan- 2- yl)phenyl]prop- 2- enoyl}amino)- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3,4- dicarboxylate
Smiles: N#C/C(=C/c1ccc(cc1)C(C)C)/C(=O)Nc1sc2c(c1C(=O)OC)C(CC2)C(=O)OC

STK545132
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- methoxy- 3- [(pyridin- 2- ylsulfanyl)methyl]phenyl}methylidene]- 5- (piperidin- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1CSc1ccccn1)/C=N/NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N

STK545134
Synonyms: N'- {(E)- [4- (2,4- dinitrophenoxy)- 3- methoxyphenyl]methylidene}- 4- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)methyl]benzohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2ccc(cc2)Cn2nc(cc2C)[N+](=O)[O-])ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK545136
Synonyms: (4bS,7aR,8S)- 6- (4- methoxyphenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccccc2)N=CC=C1

STK545137
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2,4- dichlorophenyl)methylidene]- 5- [(diethylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1Cl)Cl)CC

STK545138
Synonyms: methyl{3- [4- (3- chlorophenyl)piperazin- 1- yl]quinoxalin- 2- yl}(cyano)acetate
Smiles: COC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1cccc(c1)Cl)C#N

STK545139
Synonyms: methyl4- ({[5- (3- chloro- 1- benzothiophen- 2- yl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}methyl)benzoate
Smiles: COC(=O)c1ccc(cc1)CSc1nnc(o1)c1sc2c(c1Cl)cccc2

STK545140
Synonyms: butyl2- amino- 1- (2- chlorobenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1Cl

STK545141
Synonyms: 3- amino- 6- ethyl- N- (2- methylphenyl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: CCC1CCc2c(C1)cc1c(n2)sc(c1N)C(=O)Nc1ccccc1C

STK545144
Synonyms: ethyl4- [3- hydroxy- 5- (4- nitrophenyl)- 2- oxo- 4- (phenylcarbonyl)- 2,5- dihydro- 1H- pyrrol- 1- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccccc1

STK545145
Synonyms: 4- {butyl[2,5- dioxo- 1- (4- propoxyphenyl)pyrrolidin- 3- yl]amino}- 4- oxobutanoicacid
Smiles: CCCCN(C1CC(=O)N(C1=O)c1ccc(cc1)OCCC)C(=O)CCC(=O)O

STK545146
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- phenylacetamide
Smiles: CCCCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545147
Synonyms: 3- [(dibutylamino)methyl]- 2,6- dimethylquinolin- 4- ol
Smiles: CCCCN(Cc1c(C)nc2c(c1O)cc(cc2)C)CCCC

STK545148
Synonyms: [(4- methylphenyl)sulfonyl]{3- [4- (3- phenylpropyl)pyridinium- 1- yl]quinoxalin- 2- yl}azanide
Smiles: Cc1ccc(cc1)S(=O)(=O)[N-]c1nc2ccccc2nc1[n+]1ccc(cc1)CCCc1ccccc1

STK545149
Synonyms: 5- (3- chlorophenyl)- 2,3- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1

STK545150
Synonyms: N- [(1E)- 1- (3,4- diethoxyphenyl)- 3- (methylamino)- 3- oxoprop- 1- en- 2- yl]- 4- methoxybenzamide
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)NC)/NC(=O)c1ccc(cc1)OC

STK545151
Synonyms: [3- (4- {[(2- methylphenyl)carbonyl]amino}pyridinium- 1- yl)quinoxalin- 2- yl](phenylsulfonyl)azanide
Smiles: O=C(c1ccccc1C)Nc1cc[n+](cc1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1

STK545152
Synonyms: 4- [4- (prop- 2- yn- 1- yloxy)phenyl]- N- [3- (trifluoromethyl)phenyl]phthalazin- 1- amine
Smiles: C#CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1cccc(c1)C(F)(F)F

STK545154
Synonyms: (8S,8aR,11aS)- 8- [(4- chlorophenyl)carbonyl]- 10- (4- nitrophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1N=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-]

STK545155
Synonyms: 3- butyl- 2- {[2- oxo- 2- (piperidin- 1- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCCn1c(SCC(=O)N2CCCCC2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545156
Synonyms: 2- {[2- (ethoxycarbonyl)- 5- methoxy- 1H- indol- 3- yl]carbamoyl}benzoicacid
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1C(=O)O)cc(cc2)OC

STK545157
Synonyms: 5- (2- fluorophenyl)- 1- hexadecyl- 3- hydroxy- 4- [(2E)- 3- phenylprop- 2- enoyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=C(C1c1ccccc1F)C(=O)/C=C/c1ccccc1)O

STK545158
Synonyms: 4- [(E)- {(2Z)- [amino(4- amino- 1,2,5- oxadiazol- 3- yl)methylidene]hydrazinylidene}methyl]- 2- methoxyphenylbenzoate
Smiles: COc1cc(/C=N/N=C(/c2nonc2N)\N)ccc1OC(=O)c1ccccc1

STK545159
Synonyms: ethyl6- bromo- 4- [(4- ethoxyphenyl)amino]quinoline- 3- carboxylate
Smiles: CCOc1ccc(cc1)Nc1c(cnc2c1cc(Br)cc2)C(=O)OCC

STK545161
Synonyms: 2- (4- methoxyphenyl)- 3- [3- (2- methylphenoxy)propyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccccc1C

STK545164
Synonyms: 2- (benzylsulfanyl)- 6- methyl- 5- (2- methylpropyl)pyrimidin- 4- ol
Smiles: CC(Cc1c(C)nc(nc1O)SCc1ccccc1)C

STK545166
Synonyms: 2- (4- chlorophenyl)- 3- [5- (2,6- dichlorophenoxy)pentyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1c(Cl)cccc1Cl

STK545167
Synonyms: N'- {(E)- [4- (benzyloxy)phenyl]methylidene}- 2- (1- methyl- 1H- pyrrol- 2- yl)acetohydrazide
Smiles: O=C(Cc1cccn1C)N/N=C/c1ccc(cc1)OCc1ccccc1

STK545168
Synonyms: (8S,8aR,11aS)- N- (4- chlorophenyl)- 10- (2- methyl- 4- nitrophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-])cccc3

STK545170
Synonyms: 2- amino- 1- (4- ethoxyphenyl)- N- (furan- 2- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCOc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)NCc1ccco1

STK545175
Synonyms: [3- (4- tert- butylpyridinium- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl][(4- chlorophenyl)sulfonyl]azanide
Smiles: Clc1ccc(cc1)S(=O)(=O)[N-]C1=C([n+]2ccc(cc2)C(C)(C)C)C(=O)c2c(C1=O)cccc2

STK545176
Synonyms: N- (2- {(2Z)- 2- [1- (3- cyanopropyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hydrazinyl}- 2- oxoethyl)- 4- fluorobenzamide(non- preferredname)
Smiles: N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(cc2)F)/c2c1cccc2

STK545177
Synonyms: N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 2- {[3- cyano- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1sc2c(c1C#N)CCC2)c1cccs1

STK545178
Synonyms: (4Z)- 4- (3- fluorobenzylidene)- 2- (thiophen- 2- yl)- 1,3- oxazol- 5(4H)- one
Smiles: Fc1cccc(c1)/C=C/1\N=C(OC1=O)c1cccs1

STK545180
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [5- chloro- 2- (naphthalen- 1- ylmethoxy)phenyl]methylidene}- 5- (piperidin- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Clc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N)OCc1cccc2c1cccc2

STK545182
Synonyms: 2- [(2- phenoxyethyl)sulfanyl]- 4- phenyl- 6,7- dihydro- 5H- cyclopenta[b]pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCCOc2ccccc2)nc2c(c1c1ccccc1)CCC2

STK545183
Synonyms: (6- bromo- 5- methoxy- 2- methyl- 1- benzofuran- 3- yl)(4- methylpiperazin- 1- yl)methanone
Smiles: COc1cc2c(cc1Br)oc(c2C(=O)N1CCN(CC1)C)C

STK545184
Synonyms: 2- (heptylsulfanyl)- 6- iodo- 3- (2- methylphenyl)quinazolin- 4(3H)- one
Smiles: CCCCCCCSc1nc2ccc(cc2c(=O)n1c1ccccc1C)I

STK545185
Synonyms: N- [3- (3,6- dichloro- 9H- carbazol- 9- yl)- 2- hydroxypropyl]- N- (2- methoxyphenyl)benzenesulfonamide
Smiles: COc1ccccc1N(S(=O)(=O)c1ccccc1)CC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK545186
Synonyms: 2- [(5- ethyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- 1- phenylethanone
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)c1ccccc1)nn2)CC(OC3)(C)C