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

STK540054
Synonyms: methyl3- ({[4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cc(Cl)ccc1C)cccc2

STK540055
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- (3- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cccc(c1)[N+](=O)[O-]

STK540056
Synonyms: methyl3- ({[4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]acetyl}amino)- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(c(c2)OC)OC

STK540058
Synonyms: 2- {3- [2- (3,4- dimethoxyphenyl)ethyl]- 1- (4- methoxyphenyl)- 5- oxo- 2- thioxoimidazolidin- 4- yl}- N- (2- iodophenyl)acetamide
Smiles: COc1ccc(cc1)N1C(=S)N(C(C1=O)CC(=O)Nc1ccccc1I)CCc1ccc(c(c1)OC)OC

STK540059
Synonyms: 4- (4- methylphenyl)- 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)n2c1ccc(cc1)C)CC(OC3)C(C)C

STK540060
Synonyms: N'- [(E)- (4- methoxyphenyl)methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1C)c1ccccc1

STK540061
Synonyms: 2- cyclopropyl- N'- [(E)- (6- methylpyridin- 2- yl)methylidene]quinoline- 4- carbohydrazide
Smiles: Cc1cccc(n1)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK540062
Synonyms: methyl2- ({[2- amino- 1- (4- chlorophenyl)- 1H- pyrrolo[2,3- b]quinoxalin- 3- yl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)Cl

STK540063
Synonyms: N- (1,3- benzothiazol- 2- yl)- 1,1,1,3,3,4,4,6,6,7,7,9,9,10,10,12- hexadecafluoro- 12- (trifluoromethyl)- 2,5,8,11- tetraoxatridecan- 13- amide
Smiles: O=C(C(C(F)(F)F)(OC(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)Nc1sc2c(n1)cccc2

STK540064
Synonyms: ethyl[hydroxy(phenyl)methyl](pentafluorophenyl)phosphinate
Smiles: CCOP(=O)(c1c(F)c(F)c(c(c1F)F)F)C(c1ccccc1)O

STK540065
Synonyms: N- (4- methoxyphenyl)- 2- [1- (4- methylphenyl)- 5- oxo- 3- (2- phenylethyl)- 2- thioxoimidazolidin- 4- yl]acetamide
Smiles: COc1ccc(cc1)NC(=O)CC1N(CCc2ccccc2)C(=S)N(C1=O)c1ccc(cc1)C

STK540066
Synonyms: 2- [(3- cyano- 7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydroquinolin- 2- yl)sulfanyl]- N- (3- ethoxyphenyl)acetamide
Smiles: CCOc1cccc(c1)NC(=O)CSc1nc2CC(C)(C)CC(=O)c2cc1C#N

STK540067
Synonyms: (2E)- 1- (1- hydroxynaphthalen- 2- yl)- 3- {4- methoxy- 3- [(3- methyl- 4- nitrophenoxy)methyl]phenyl}prop- 2- en- 1- one
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])/C=C/C(=O)c1ccc2c(c1O)cccc2

STK540068
Synonyms: methyl3- {[(4- chlorophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)Cl)cccc2

STK540069
Synonyms: 3- amino- 7,8- dimethoxy- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1cc2c(cc1OC)[nH]c1c2[nH]c(=O)n(c1=O)N

STK540070
Synonyms: 7- ethyl- 1,3- dimethyl- 8- [(2E)- 2- (3- nitrobenzylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C

STK540071
Synonyms: 4- benzyl- 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(=O)n(Cc3ccccc3)c3n(c1s2)cnn3)C

STK540073
Synonyms: 6- tert- butyl- 2- [(pyridin- 4- ylmethyl)sulfanyl]- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#Cc1c(SCc2ccncc2)nc2c(c1c1cccs1)CC(CC2)C(C)(C)C

STK540075
Synonyms: 3- methyl- 7- nonyl- 8- (propylamino)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCCn1c(NCCC)nc2c1c(=O)[nH]c(=O)n2C

STK540076
Synonyms: (2Z)- 1,4- diphenyl- 2- (phenylamino)but- 2- ene- 1,4- dione
Smiles: O=C(c1ccccc1)/C=C(/C(=O)c1ccccc1)\Nc1ccccc1

STK540077
Synonyms: 11- (4- butylphenyl)- 2- methyl- 3- (1- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C(c1ccccc1)C

STK540078
Synonyms: methyl3- [(3- cyclopentylpropanoyl)amino]- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCC1CCCC1)cc(cc2)C

STK540079
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- (2,4- dimethoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Br)/C

STK540080
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (4- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK540082
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- methoxyphenyl)carbonyl]- 8- [3- (trifluoromethyl)phenyl]- 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)C(F)(F)F)C=Cc1c2cccc1

STK540084
Synonyms: 3,3- dimethyl- 8- (2- methylpropyl)- 6- (pentylamino)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCCNc1nc(CC(C)C)c2c(c1C#N)CC(OC2)(C)C

STK540085
Synonyms: ethyl4- [2- (4- chlorophenyl)- 4- hydroxy- 5- oxo- 3- (phenylcarbonyl)- 2,5- dihydro- 1H- pyrrol- 1- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)c1ccccc1

STK540086
Synonyms: 7- benzyl- 1,3- dimethyl- 8- [(2E)- 2- (4- methylbenzylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

STK540087
Synonyms: 3- {[(E)- (3,5- dibromo- 2- hydroxyphenyl)methylidene]amino}- 2- propylquinazolin- 4(3H)- one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)cc(c1O)Br

STK540088
Synonyms: (8R,8aR)- 6- amino- 2- ethyl- 8- (furan- 3- yl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: CCN1CC=C2[C@H](C1)[C@@H](c1ccoc1)C(C(=C2C#N)N)(C#N)C#N

STK540089
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- [(E)- (2- hydroxy- 3- methoxy- 5- nitrophenyl)methylidene]acetohydrazide
Smiles: COc1cc(cc(c1O)/C=N/NC(=O)CSc1nc2c(s1)cccc2)[N+](=O)[O-]

STK540090
Synonyms: (5Z)- 1- (prop- 2- en- 1- yl)- 5- (2,3,6,7- tetrahydro- 1H,5H- pyrido[3,2,1- ij]quinolin- 9- ylmethylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: C=CCN1C(=O)NC(=O)/C(=C/c2cc3CCCN4c3c(c2)CCC4)/C1=O

STK540091
Synonyms: N'- [(E)- (2- hydroxy- 3- methoxy- 5- nitrophenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: COc1cc(cc(c1O)/C=N/NC(=O)CSc1ccccn1)[N+](=O)[O-]

STK540092
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccc(cc1)N(C)C

STK540093
Synonyms: 6- hydroxy- 5- [(4- methylpiperazin- 1- yl)carbonyl]- 1,2- dihydro- 4H- pyrrolo[3,2,1- ij]quinolin- 4- one
Smiles: CN1CCN(CC1)C(=O)c1c(O)c2cccc3c2n(c1=O)CC3

STK540094
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- phenyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK540095
Synonyms: N'- [(E)- (2- hydroxyphenyl)methylidene]- 2- methylquinoline- 4- carbohydrazide
Smiles: Cc1nc2ccccc2c(c1)C(=O)N/N=C/c1ccccc1O

STK540097
Synonyms: N'- [(E)- (3- bromophenyl)methylidene]- 2- cyclopropylquinoline- 4- carbohydrazide
Smiles: Brc1cccc(c1)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK540098
Synonyms: (2E)- N- [(4- benzylpiperazin- 1- yl)carbonothioyl]- 3- (4- methoxyphenyl)prop- 2- enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)N1CCN(CC1)Cc1ccccc1

STK540100
Synonyms: 3- (4- methylphenyl)- 2- {[1- (morpholin- 4- yl)- 1- oxopropan- 2- yl]sulfanyl}- 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)c1ccc(cc1)C)SC(C(=O)N1CCOCC1)C)C

STK540101
Synonyms: 2,2,5- trimethyl- 8- (pentylsulfanyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK540102
Synonyms: 3- amino- N- [2- (2- chlorophenyl)ethyl]- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)NCCc1ccccc1Cl

STK540103
Synonyms: (5E)- 2- [4- (naphthalen- 1- yl)piperazin- 1- yl]- 5- (2- propoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CCCOc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)c1cccc2c1cccc2

STK540104
Synonyms: 3- methyl- 8- [(4- methylbenzyl)sulfanyl]- 7- octyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCn1c(SCc2ccc(cc2)C)nc2c1c(=O)[nH]c(=O)n2C

STK540105
Synonyms: methyl3- [(3,4- dihydroisoquinolin- 2(1H)- ylacetyl)amino]- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1)cccc3)cc(c(c2)OC)OC

STK540106
Synonyms: tetraethyl1,6- bis(acetylamino)hexane- 1,1,6,6- tetracarboxylate
Smiles: CCOC(=O)C(C(=O)OCC)(NC(=O)C)CCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

STK540107
Synonyms: N'- [(E)- (4- methoxyphenyl)methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)Cn1ncnc1

STK540108
Synonyms: 9- bromo- 5- (furan- 2- yl)- 2- [4- (prop- 2- en- 1- yloxy)phenyl]- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: C=CCOc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccco1

STK540109
Synonyms: 4,4'- {ethane- 1,2- diylbis[nitrilo(E)methylylidene]}bis(2,6- di- tert- butylphenol)
Smiles: CC(c1cc(/C=N/CC/N=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C

STK540110
Synonyms: N'- [(E)- (3- hydroxyphenyl)methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1cccc(c1)O

STK540111
Synonyms: N'- [(3E)- 5- bromo- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]- 2- (3,4- dimethoxyphenyl)acetohydrazide
Smiles: COc1cc(ccc1OC)CC(=O)N/N=C/1\c2cc(Br)ccc2N(C1=O)CN1CCCCC1c1cccnc1

STK540112
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(1Z)- 1- (4- methoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C(=N\NC(=O)Cn1nnc(n1)N)/C

STK540113
Synonyms: 2- {[3- (2- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: COc1ccccc1n1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK540114
Synonyms: 5- [4- (benzyloxy)phenyl]- 2- (3,4- dimethoxyphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: COc1cc(ccc1OC)C1=NN2C(C1)c1ccccc1OC2c1ccc(cc1)OCc1ccccc1

STK540117
Synonyms: 4,6- dimethyl- 2- {(2E)- 2- [4- (propan- 2- yl)benzylidene]hydrazinyl}pyrimidine
Smiles: Cc1cc(C)nc(n1)N/N=C/c1ccc(cc1)C(C)C

STK540118
Synonyms: 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: NC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C

STK540119
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- methoxyphenyl)carbonyl]- 8- phenyl- 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)c1ccccc1)C=Cc1c2cccc1

STK540120
Synonyms: 8- {(2E)- 2- [4- (benzyloxy)benzylidene]hydrazinyl}- 7- (4- fluorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)OCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK540121
Synonyms: 1- [bis(pentafluorophenyl)phosphoryl]cyclohexanol
Smiles: OC1(CCCCC1)P(=O)(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F

STK540126
Synonyms: 3- (3- methylphenyl)- 2- sulfanyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cc1cccc(c1)n1c(S)nc2c(c1=O)c1CCCCc1s2

STK540127
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,7- tridecafluoro- N- (2- iodophenyl)heptanamide
Smiles: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1ccccc1I

STK540128
Synonyms: 3- amino- 6- (thiophen- 2- yl)- N- [3- (trifluoromethyl)benzyl]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1cccs1)NCc1cccc(c1)C(F)(F)F

STK540129
Synonyms: 10- methyl- N- (3- methylphenyl)- 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(Nc1cccc(c1)C)nc1c2cccc1

STK540131
Synonyms: 8- [(4- fluorobenzyl)sulfanyl]- 7- hexyl- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(SCc2ccc(cc2)F)nc2c1c(=O)[nH]c(=O)n2C

STK540132
Synonyms: 1- (4- methylphenyl)- N- (propan- 2- yl)- 1H- pyrazolo[3,4- d]pyrimidin- 4- amine
Smiles: CC(Nc1ncnc2c1cnn2c1ccc(cc1)C)C

STK540133
Synonyms: 8- {[2- (diethylamino)ethyl]amino}- 7- [2- hydroxy- 3- (4- nitrophenoxy)propyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1ccc(cc1)[N+](=O)[O-])O)c(=O)[nH]c(=O)n2C)CC

STK540134
Synonyms: (6aS,6bR,9aS,10R)- 10- acetyl- 8- (2,4- dimethylphenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)C

STK540136
Synonyms: 8- (hexylamino)- 3- methyl- 7- (3- phenylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCNc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C

STK540137
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccc(cc2)Cl)ccc1O

STK540138
Synonyms: prop- 2- en- 1- ylN'- [(E)- (2- hydroxy- 5- nitrophenyl)methylidene]carbamohydrazonothioate
Smiles: [O-][N+](=O)c1cc(/C=N/N=C(\SCC=C)/N)c(cc1)O

STK540140
Synonyms: methyl2- {[3- benzyl- 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}propanoate
Smiles: COC(=O)C(Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)C(C)C)C

STK540141
Synonyms: methyl2- [11- (3,5- dimethylphenyl)- 2- ethyl- 4- oxo- 4,11- dihydro- 3H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 3- yl]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c2CCCCc2sc1n1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1cc(C)cc(c1)C

STK540143
Synonyms: N- butyl- N'- (4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)ethanediamide
Smiles: CCCCNC(=O)C(=O)Nc1c(=O)[nH]c2c(c1O)cccc2

STK540144
Synonyms: 3- {[(E)- (5- bromo- 2- hydroxyphenyl)methylidene]amino}- 2- propylquinazolin- 4(3H)- one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)ccc1O

STK540145
Synonyms: 2- (2- methyl- 4- oxoquinolin- 1(4H)- yl)- N- (4- methylphenyl)acetamide
Smiles: O=C(Cn1c(C)cc(=O)c2c1cccc2)Nc1ccc(cc1)C

STK540146
Synonyms: N'- [(E)- (2- chlorophenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccccc1Cl

STK540148
Synonyms: 3- {[(E)- (2,5- dimethoxyphenyl)methylidene]amino}- 8- methoxy- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc(c(c1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)OC)OC

STK540149
Synonyms: 8- chloro- 3- {[(E)- (2- methoxyphenyl)methylidene]amino}- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccccc1/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540150
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (3,4,5- trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nnnc2N)cc(c1OC)OC

STK540151
Synonyms: 7,7- dimethyl- 4- (3- methylphenyl)- 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: Cc1cccc(c1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2

STK540152
Synonyms: 11- benzyl- 3- (furan- 2- ylmethyl)- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1nc2n(Cc3ccccc3)c3c(c2c(=O)n1Cc1ccco1)nc1c(n3)cccc1

STK540154
Synonyms: (3aR,4S,9aR,9bS)- 4- [(4- bromophenyl)carbonyl]- 2- (4- methoxyphenyl)- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)Br)C=CC(=C1)C(=O)c1ccccc1

STK540155
Synonyms: 2- [(4- oxo- 3- phenyl- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)CCC

STK540156
Synonyms: (1'R,3R,3'R)- 1'- acetyl- 3'- [(3,4- dimethoxyphenyl)carbonyl]- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3

STK540157
Synonyms: 2- [(4,5- diphenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N'- [(1Z)- 1- phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccccc1)/c1ccccc1

STK540159
Synonyms: 2- amino- N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 1- [3- (trifluoromethyl)phenyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: O=C(c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C(F)(F)F)Nc1c(=O)n(n(c1C)C)c1ccccc1

STK540160
Synonyms: 2- ({[(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]carbamothioyl}amino)- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCC(C3)C)ccc1OC

STK540161
Synonyms: 5- (3,4- dimethoxyphenyl)- 7- methoxy- 2- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: COc1cccc2c1OC(c1ccc(c(c1)OC)OC)N1C2CC(=N1)c1ccccc1

STK540162
Synonyms: 3- amino- 4,6- diphenyl- N- [2- (trifluoromethyl)phenyl]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c(cc(n2)c1ccccc1)c1ccccc1)Nc1ccccc1C(F)(F)F

STK540163
Synonyms: 7- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (1- phenylethyl)heptanamide
Smiles: O=C(NC(c1ccccc1)C)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK540165
Synonyms: N- {[1- (3,4- dimethoxyphenyl)cyclohexyl]methyl}- 3,5- dinitrobenzamide
Smiles: COc1cc(ccc1OC)C1(CCCCC1)CNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK540166
Synonyms: 7,9- dichloro- 2- (4- methoxyphenyl)- 5- (4- methylphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)cc(c1OC2c1ccc(cc1)C)Cl

STK540170
Synonyms: 7- [3- (4- chlorophenoxy)- 2- hydroxypropyl]- 8- {(2E)- 2- [4- (dimethylamino)benzylidene]hydrazinyl}- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(N/N=C/c2ccc(cc2)N(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STK540171
Synonyms: (2E)- N- (2,4- dichlorophenyl)- 2- (2- hydroxy- 3- methoxybenzylidene)hydrazinecarbothioamide
Smiles: COc1cccc(c1O)/C=N/NC(=S)Nc1ccc(cc1Cl)Cl

STK540172
Synonyms: methyl5- chloro- 3- {[2- (3,4- dihydroisoquinolin- 2(1H)- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCc3c(C1)cccc3)C)cc(cc2)Cl

STK540173
Synonyms: 1,3- dimethyl- 7- (prop- 2- en- 1- yl)- 8- (prop- 2- en- 1- ylamino)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCn1c(NCC=C)nc2c1c(=O)n(c(=O)n2C)C

STK540174
Synonyms: 6- [9- bromo- 2- (pyridin- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]- 2,3- dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccccn1)Br

STK540175
Synonyms: (5E)- 5- [4- (diethylamino)benzylidene]- 2- [4- (2- nitrophenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: CCN(c1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-])CC

STK540178
Synonyms: 2,2,3,3,4,4,4- heptafluoro- N- [4- (6- methyl- 1,3- benzothiazol- 2- yl)phenyl]butanamide
Smiles: Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F

STK540179
Synonyms: (6aR,6bS,9aR,10S)- 10- acetyl- 8- (2,4- dichlorophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)C

STK540180
Synonyms: 7- [2- hydroxy- 3- (4- methoxyphenoxy)propyl]- 1,3- dimethyl- 8- (4- methylpiperazin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCN(CC1)C)O

STK540181
Synonyms: 1- ethyl- 6- fluoro- 7- (4- nonanoylpiperazin- 1- yl)- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCCCCCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK540182
Synonyms: 1,6- bis(4- butoxyphenyl)- 2,5- bis[(ethylamino)methyl]hexane- 1,6- dione
Smiles: CCNCC(C(=O)c1ccc(cc1)OCCCC)CCC(C(=O)c1ccc(cc1)OCCCC)CNCC

STK540184
Synonyms: 4- hydroxy- N- {2- [(2- hydroxyethyl)amino]ethyl}- 2- oxo- 1- propyl- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCCn1c(=O)c(C(=O)NCCNCCO)c(c2c1cccc2)O

STK540185
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(Z)- {2- [(4- chlorobenzyl)oxy]phenyl}methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C\c1ccccc1OCc1ccc(cc1)Cl

STK540186
Synonyms: N- (3,4- 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=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)Cl)c1ccccc1

STK540188
Synonyms: N- {1- benzyl- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}naphthalene- 2- sulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc3c(c2)cccc3)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK540189
Synonyms: 8- ethyl- 5- oxo- 2- {4- [(thiophen- 2- ylcarbonyl)carbamothioyl]piperazin- 1- yl}- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1cccs1

STK540190
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3- methoxy- 4- propoxyphenyl)methylidene]acetohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Br

STK540191
Synonyms: 2- (5- {(E)- [(8- chloro- 4- oxo- 4,5- dihydro- 3H- pyrimido[5,4- b]indol- 3- yl)imino]methyl}- 2- methoxybenzyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540192
Synonyms: (2Z)- 2- [(2E)- (furan- 2- ylmethylidene)hydrazinylidene]- 3- phenyl- 1,3- thiazolidin- 4- one
Smiles: O=C1CS/C(=N\N=C\c2ccco2)/N1c1ccccc1

STK540193
Synonyms: 7,8- dimethoxy- 3- {[(E)- (4- methoxyphenyl)methylidene]amino}- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(c(c1)OC)OC

STK540195
Synonyms: triethyl1,3,5- triazine- 2,4,6- tricarboxylate
Smiles: CCOC(=O)c1nc(nc(n1)C(=O)OCC)C(=O)OCC

STK540196
Synonyms: 3- {[(E)- (2- chlorophenyl)methylidene]amino}- 2- propylquinazolin- 4(3H)- one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1Cl

STK540197
Synonyms: 4- benzyl- 1- (benzylsulfanyl)- 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(SCc3ccccc3)nnc2n(c1=O)Cc1ccccc1)C

STK540198
Synonyms: 2- methyl- N'- [(2E)- 1- phenylbutan- 2- ylidene]quinoline- 4- carbohydrazide
Smiles: CC/C(=N\NC(=O)c1cc(C)nc2c1cccc2)/Cc1ccccc1

STK540199
Synonyms: (1'R,3R,3'R)- 1',3'- bis[(4- bromophenyl)carbonyl]- 7'- chloro- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Brc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)ccc(c3)Cl

STK540203
Synonyms: 3- {[(E)- (2,4- dibromo- 6- hydroxyphenyl)methylidene]amino}- 8- methoxy- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1c(O)cc(cc1Br)Br

STK540205
Synonyms: 4- benzyl- 1- (butylsulfanyl)- 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: CCCCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC(OC3)C(C)C

STK540206
Synonyms: (1'R,3R,3'R)- 1'- acetyl- 3'- (phenylcarbonyl)- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: O=C([C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3)c1ccccc1

STK540208
Synonyms: 3- methyl- 7- octyl- 8- [(2- phenylethyl)amino]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCn1c(NCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK540209
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (3,5- dibromo- 2- hydroxyphenyl)methylidene]acetohydrazide
Smiles: Brc1cc(/C=N/NC(=O)Cn2nnnc2N)c(c(c1)Br)O

STK540210
Synonyms: (3aR,4S,9aR,9bS)- 2- (4- bromophenyl)- 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)c1ccc(cc1)Br)C(=O)c1ccccc1

STK540211
Synonyms: 8- chloro- 3- {[(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1cc(ccc1O)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540212
Synonyms: methyl2- {[(2- amino- 1- benzyl- 1H- pyrrolo[2,3- b]quinoxalin- 3- yl)carbonyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK540213
Synonyms: 3- (naphthalen- 2- yl)- 2- pentylquinazolin- 4(3H)- one
Smiles: CCCCCc1nc2ccccc2c(=O)n1c1ccc2c(c1)cccc2

STK540215
Synonyms: 3,9- dimethyl- 5- (methylsulfanyl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(C)nn2)CCN(C3)C

STK540218
Synonyms: 1- (2- methyl- 1H- indol- 3- yl)- 2- {4- [(2E)- 3- phenylprop- 2- en- 1- yl]piperazin- 1- yl}ethanone
Smiles: O=C(c1c(C)[nH]c2c1cccc2)CN1CCN(CC1)C/C=C/c1ccccc1

STK540219
Synonyms: N'- [(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)CSc1nnc(n1C)c1ccccc1

STK540221
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- bromophenyl)carbonyl]- 2- chloro- 8- (4- nitrophenyl)- 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]1[C@H]2[C@@H]([C@@H]3N1c1cc(Cl)ccc1C=C3)C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]

STK540222
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2,4- dihydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1O)O

STK540225
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- (4- methylphenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C(/c1ccc(cc1)C)\C

STK540226
Synonyms: methyl5- chloro- 3- [(3- cyclopentylpropanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCC1CCCC1)cc(cc2)Cl

STK540227
Synonyms: N'- [(E)- (3- chlorophenyl)methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccc(c1)Cl

STK540228
Synonyms: 3- amino- 6- (3,4- dimethoxyphenyl)- N- (2- ethoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: CCOc1ccccc1NC(=O)c1sc2c(c1N)ccc(n2)c1ccc(c(c1)OC)OC

STK540230
Synonyms: 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 1,3- dimethyl- 8- (piperazin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCNCC1)COc1ccccc1C

STK540231
Synonyms: 8- {[2- (dimethylamino)ethyl]amino}- 7- [2- hydroxy- 3- (4- nitrophenoxy)propyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)[N+](=O)[O-]

STK540232
Synonyms: 4- iodo- N- [1- (phenylcarbonyl)- 1,2,3,4- tetrahydroquinolin- 6- yl]benzamide
Smiles: Ic1ccc(cc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1

STK540233
Synonyms: (2Z)- N- (2,4- dichlorophenyl)- 2- [1- (naphthalen- 2- yl)ethylidene]hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C(\c1ccc2c(c1)cccc2)/C

STK540234
Synonyms: (6aS,6bR,9aS,10R)- 10- acetyl- 8- (4- methoxyphenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)C

STK540235
Synonyms: 3- bromo- N- {4- [(4- methoxyphenyl)carbamoyl]phenyl}- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)c1coc(=O)c(c1)Br

STK540236
Synonyms: (9E)- 9- (4- bromobenzylidene)- 5- (4- bromophenyl)- 3- (4- fluorophenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: Brc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)F)/C(=C/c1ccc(cc1)Br)/CCC2

STK540238
Synonyms: 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N'- {(1E,2E)- 2- methyl- 3- [4- (propan- 2- yl)phenyl]prop- 2- en- 1- ylidene}acetohydrazide
Smiles: CC(c1ccc(cc1)/C=C(/C=N/NC(=O)CSc1nnc(n1C)c1ccccc1)\C)C

STK540241
Synonyms: 3- {[(E)- (2- chlorophenyl)methylidene]amino}- 8- methoxy- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1ccccc1Cl

STK540242
Synonyms: ethyl(3,3- dimethylbut- 1- yn- 1- yl)(2,2,2- trifluoro- 1- hydroxy- 1- phenylethyl)phosphinate
Smiles: CCOP(=O)(C(C(F)(F)F)(c1ccccc1)O)C#CC(C)(C)C

STK540243
Synonyms: 3- amino- N- (2,4- dimethoxyphenyl)- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccc(c(c1)OC)NC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC

STK540244
Synonyms: 2,2,10- trimethyl- 5- phenyl- 1,4- dihydro- 2H,8H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,3]oxazin- 8- one
Smiles: Cc1oc(=O)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)c1ccccc1

STK540245
Synonyms: (4- bromophenyl)[(1R,2S,3S,3aS)- 2- phenyl- 3- (phenylcarbonyl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinolin- 1- yl]methanone
Smiles: Brc1ccc(cc1)C(=O)[C@H]1[C@H](c2ccccc2)[C@@H]([C@H]2N1c1ccccc1C=C2)C(=O)c1ccccc1

STK540246
Synonyms: 3- {[(E)- (4- butoxyphenyl)methylidene]amino}- 8- chloro- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: CCCCOc1ccc(cc1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540247
Synonyms: 2- cyclopropyl- N'- [(E)- furan- 2- ylmethylidene]quinoline- 4- carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)C1CC1)N/N=C/c1ccco1

STK540248
Synonyms: (9E)- 9- (4- methoxybenzylidene)- 5- (4- methoxyphenyl)- 3- (3- nitrophenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1cccc(c1)[N+](=O)[O-])/C(=C/c1ccc(cc1)OC)/CCC2

STK540250
Synonyms: N'- [(1E)- 1- (2,4- dimethoxyphenyl)ethylidene]- 2- methylquinoline- 4- carbohydrazide
Smiles: COc1ccc(c(c1)OC)/C(=N/NC(=O)c1cc(C)nc2c1cccc2)/C

STK540251
Synonyms: 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 8- [(2E)- 2- (4- methoxybenzylidene)hydrazinyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)/C=N/Nc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C

STK540252
Synonyms: (2E)- N- (2,4- dichlorophenyl)- 2- (2,4- dihydroxybenzylidene)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1ccc(cc1O)O

STK540253
Synonyms: N- (2,3- dimethylphenyl)- 2,2,3,3,4,4,4- heptafluorobutanamide
Smiles: O=C(C(C(C(F)(F)F)(F)F)(F)F)Nc1cccc(c1C)C

STK540254
Synonyms: (9E)- 9- (4- bromobenzylidene)- 5- (4- bromophenyl)- 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: Brc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)/C(=C/c1ccc(cc1)Br)/CCC2

STK540256
Synonyms: N- (4- chlorophenyl)- 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=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK540257
Synonyms: N'- [(E)- (2- fluorophenyl)methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccccc1F

STK540258
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(1E,2E)- 3- phenylprop- 2- en- 1- ylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/C=C/c1ccccc1

STK540261
Synonyms: 2- {(2E)- 2- [3- methoxy- 4- (propan- 2- yloxy)benzylidene]hydrazinyl}- 4,6- dimethylpyrimidine
Smiles: COc1cc(/C=N/Nc2nc(C)cc(n2)C)ccc1OC(C)C

STK540262
Synonyms: N- (3,4- dichlorophenyl)- 2- {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nnnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK540263
Synonyms: 3- amino- 6- (3- methoxyphenyl)- N- [3- (methylsulfanyl)phenyl]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1cccc(c1)SC

STK540264
Synonyms: 8- [(2- chloro- 6- fluorobenzyl)sulfanyl]- 1,3- dimethyl- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

STK540266
Synonyms: N'- [(E)- (2,4- dimethoxyphenyl)methylidene]- 2- methylquinoline- 4- carbohydrazide
Smiles: COc1ccc(c(c1)OC)/C=N/NC(=O)c1cc(C)nc2c1cccc2

STK540267
Synonyms: 2,7- bis[(diethylamino)methyl]- 1,8- bis(4- methoxyphenyl)octane- 1,8- dione
Smiles: CCN(CC(C(=O)c1ccc(cc1)OC)CCCCC(C(=O)c1ccc(cc1)OC)CN(CC)CC)CC

STK540268
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(E)- [3- methoxy- 4- (propan- 2- yloxy)phenyl]methylidene}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccc(cc2)Cl)ccc1OC(C)C

STK540269
Synonyms: 11- (4- ethoxyphenyl)- 2- ethyl- 3- (1- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCOc1ccc(cc1)n1c2nc(CC)n(c(=O)c2c2c1nc1ccccc1n2)C(c1ccccc1)C

STK540270
Synonyms: (5E)- 5- (4- tert- butylbenzylidene)- 2- [4- (3- chloro- 4- methylphenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C/c1ccc(cc1)C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)Cl)C

STK540271
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,7- tridecafluoro- N- [4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]heptanamide
Smiles: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1scc(n1)c1cccc2c1cccc2

STK540272
Synonyms: methyl5,6- dimethoxy- 3- [(phenoxycarbonyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)Oc1ccccc1)cc(c(c2)OC)OC

STK540273
Synonyms: (2E)- 2- (1,3- benzodioxol- 5- ylmethylidene)- N- (2,4- dichlorophenyl)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1ccc2c(c1)OCO2

STK540274
Synonyms: 3,6- diamino- 5- cyano- N- (3- methylphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)Nc1cccc(c1)C

STK540275
Synonyms: 8- bromo- 7- (2- chloro- 6- fluorobenzyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1cccc(c1Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C)Cl

STK540276
Synonyms: N'- [(E)- (4- bromophenyl)methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccc(cc1)Br

STK540277
Synonyms: 3- (4- bromophenyl)- N'- [(E)- (2- hydroxy- 5- nitrophenyl)methylidene]- 4- oxo- 3,4- dihydroquinazoline- 2- carbohydrazide
Smiles: Brc1ccc(cc1)n1c(nc2c(c1=O)cccc2)C(=O)N/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK540278
Synonyms: methyl5- chloro- 3- {[(4- chlorophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)Cl)cc(cc2)Cl

STK540280
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- [(E)- (5- phenyl- 1H- pyrazol- 4- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(s1)cccc2)N/N=C/c1cn[nH]c1c1ccccc1

STK540281
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9- heptadecafluoro- 1- (morpholin- 4- yl)nonan- 1- one
Smiles: O=C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N1CCOCC1

STK540282
Synonyms: dipropan- 2- yl3- methyl- 5- {[(pyridin- 3- ylcarbonyl)carbamothioyl]amino}thiophene- 2,4- dicarboxylate
Smiles: CC(OC(=O)c1c(NC(=S)NC(=O)c2cccnc2)sc(c1C)C(=O)OC(C)C)C

STK540283
Synonyms: 2- {(2Z)- 2- [1- (4- methoxyphenyl)ethylidene]hydrazinyl}- 4,6- dimethylpyrimidine
Smiles: COc1ccc(cc1)/C(=N\Nc1nc(C)cc(n1)C)/C

STK540284
Synonyms: (9E)- 9- [4- (difluoromethoxy)benzylidene]- 5- [4- (difluoromethoxy)phenyl]- 3- phenyl- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: FC(Oc1ccc(cc1)/C=C/1\CCCC2=C1N=c1scc(n1C2c1ccc(cc1)OC(F)F)c1ccccc1)F

STK540285
Synonyms: 9- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (2- methyl- 1- phenylpropyl)nonanamide
Smiles: O=C(NC(c1ccccc1)C(C)C)CCCCCCCCN1C(=O)c2c(C1=O)cccc2

STK540286
Synonyms: tert- butyl(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)OC(C)(C)C)F

STK540287
Synonyms: 11- cyclohexyl- 3- (furan- 2- ylmethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: O=c1n(cnc2c1c1nc3ccccc3nc1n2C1CCCCC1)Cc1ccco1

STK540288
Synonyms: N'- (6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- yl)- N,N- dimethylpropane- 1,3- diamine
Smiles: CN(CCCNc1ncnc2c1c1CCCc1s2)C

STK540289
Synonyms: (2E)- 3- {4- [(4- methylpiperidin- 1- yl)sulfonyl]phenyl}prop- 2- enoicacid
Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)/C=C/C(=O)O

STK540290
Synonyms: {[3- benzyl- 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}aceticacid
Smiles: OC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)C(C)C

STK540292
Synonyms: 2- methyl- N'- [(E)- (3- phenoxyphenyl)methylidene]quinoline- 4- carbohydrazide
Smiles: Cc1nc2ccccc2c(c1)C(=O)N/N=C/c1cccc(c1)Oc1ccccc1

STK540293
Synonyms: N- (4- ethylphenyl)- 2- [(4- hydroxy- 6- {[(4- methylphenyl)sulfanyl]methyl}pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nc(O)cc(n1)CSc1ccc(cc1)C

STK540294
Synonyms: 2- {[4- (4- methoxyphenyl)- 5- oxo- 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- phenylpropanamide
Smiles: COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(OCc1s2)C(C)C)SC(C(=O)Nc1ccccc1)C

STK540295
Synonyms: 2- [(pyridin- 3- ylmethyl)sulfanyl]- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1ccc(nc1SCc1cccnc1)c1cccs1

STK540298
Synonyms: 7- dodecyl- 3- methyl- 8- [(3- oxobutan- 2- yl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCCCCCn1c(SC(C(=O)C)C)nc2c1c(=O)[nH]c(=O)n2C

STK540301
Synonyms: 1- (2,6- dimethyl- 1H- indol- 3- yl)- 2- (3,3- dimethylpiperidin- 1- yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCCC(C1)(C)C)C

STK540302
Synonyms: ethyl3- {[(4- chlorophenyl)carbonyl]amino}- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)Cl)cc(cc2)F

STK540303
Synonyms: 10- methyl- N- (3- methylphenyl)- 8- phenyl- 11- [4- (propan- 2- yl)phenyl]- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)C)c(nn1c1ccccc1)C

STK540304
Synonyms: 2- {4- methoxy- 3- [(3- methyl- 4- nitrophenoxy)methyl]phenyl}- 2H- chromen- 4- ol
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])C1C=C(O)c2c(O1)cccc2

STK540305
Synonyms: N'- [(E)- pyridin- 2- ylmethylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccccn1

STK540306
Synonyms: ethyl{[3- (3- methylphenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCC3

STK540307
Synonyms: N- ({2- [(4- propoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)thiophene- 2- carboxamide
Smiles: CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1

STK540308
Synonyms: 3,6- dibromo- 9- [2- (ethenyloxy)ethyl]- 9H- carbazole
Smiles: C=COCCn1c2ccc(cc2c2c1ccc(c2)Br)Br

STK540309
Synonyms: 9- bromo- 2- (4- ethoxyphenyl)- 5- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: CCOc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccccc1

STK540310
Synonyms: (6aS,6bR,9aS,10R)- 8- (4- butoxyphenyl)- 10- [(4- methoxyphenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)OC

STK540311
Synonyms: 9- {3- [(diethylamino)methyl]- 4- methoxyphenyl}- 3,3,6,6- tetramethyl- 3,4,5,6,7,9- hexahydro- 1H- xanthene- 1,8(2H)- dione
Smiles: CCN(Cc1cc(ccc1OC)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C)CC

STK540312
Synonyms: N'- [(1E)- 1- (2,4- dimethoxyphenyl)ethylidene]- 2- [(4,5- diphenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccccc1)/C

STK540313
Synonyms: 1- methyl- 3- octyl- 6,7- dihydro[1,3]thiazolo[2,3- f]purine- 2,4(1H,3H)- dione
Smiles: CCCCCCCCn1c(=O)c2n3CCSc3nc2n(c1=O)C

STK540314
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- bromophenyl)carbonyl]- 2- chloro- 8- [3- (trifluoromethyl)phenyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc2c(c1)N1[C@H](C=C2)[C@@H]2[C@H]([C@H]1C(=O)c1ccc(cc1)Br)C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

STK540315
Synonyms: 2- [(4,5- diphenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N'- [(E)- (2- hydroxy- 5- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1ccccc1)N/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK540316
Synonyms: 8- {[(2Z)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 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]pyrimidine
Smiles: C/C(=C/CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)/Cl

STK540317
Synonyms: (9E)- 3- (4- chlorophenyl)- 9- (4- fluorobenzylidene)- 5- (4- fluorophenyl)- 7- methyl- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: CC1C/C(=C\c2ccc(cc2)F)/C2=C(C1)C(c1ccc(cc1)F)n1c(=N2)scc1c1ccc(cc1)Cl

STK540319
Synonyms: ethyl2- ({(2E)- 2- cyano- 3- [5- (4- nitrophenyl)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)c2ccc(cc2)[N+](=O)[O-])/C#N)sc2c1CCCC2

STK540321
Synonyms: 4,5- dihydro[1,8,4,5]dithiadiazecino[9,10- b]quinoxaline- 3,6(2H,7H)- dione
Smiles: O=C1NNC(=O)CSc2c(SC1)nc1ccccc1n2

STK540322
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK540323
Synonyms: 3- {[(E)- (6- bromo- 2- hydroxynaphthalen- 1- yl)methylidene]amino}- 2- propylquinazolin- 4(3H)- one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2c1ccc(c2)Br

STK540325
Synonyms: methyl2- ({3- [4- (diphenylmethyl)piperazin- 1- yl]quinoxalin- 2- yl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(CC2)C(c2ccccc2)c2ccccc2)sc2c1CCCC2

STK540326
Synonyms: 3- benzyl- 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 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)Cc1ccccc1)SCC(=O)c1ccc(cc1)Cl)C

STK540327
Synonyms: 3- {2- amino- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl}propyl3,5- dinitrobenzoate
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)CCCOC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK540328
Synonyms: N- [3- (acetylamino)- 1- phenyl- 1H- 1,2,4- triazol- 5- yl]- 2,2,2- trichloroacetamide
Smiles: CC(=O)Nc1nn(c(n1)NC(=O)C(Cl)(Cl)Cl)c1ccccc1

STK540329
Synonyms: ethyl{[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}acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C

STK540331
Synonyms: 8- [(2- chlorobenzyl)sulfanyl]- 7- hexyl- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

STK540334
Synonyms: N'- [(E)- (3- phenoxyphenyl)methylidene]- 2- phenylquinoline- 4- carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)c1ccccc1)N/N=C/c1cccc(c1)Oc1ccccc1

STK540337
Synonyms: (3aR,4S,9aR,9bS)- 4- [(4- bromophenyl)carbonyl]- 2- (naphthalen- 1- yl)- 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)c1cccc2c1cccc2)C(=O)c1ccccc1

STK540338
Synonyms: N- (4- methoxyphenyl)- 10- methyl- 8- phenyl- 11- (thiophen- 2- yl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccs2)c(nn1c1ccccc1)C

STK540339
Synonyms: methyl5- bromo- 3- {[(4- fluorophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)F)cc(cc2)Br

STK540341
Synonyms: ethyl2- {[3- ({[4- (acetylamino)phenyl]sulfonyl}amino)quinoxalin- 2- yl]amino}- 6- phenyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(cc2)NC(=O)C)sc2c1CCC(C2)c1ccccc1

STK540342
Synonyms: methyl5- methyl- 3- {[(3,4,5- trimethoxyphenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cc(OC)c(c(c1)OC)OC)cc(cc2)C

STK540344
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (4- fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1)F

STK540346
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- bromophenyl)carbonyl]- 8- (4- methoxyphenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)Br

STK540347
Synonyms: methyl3- {[(4- fluorophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)F)cccc2

STK540348
Synonyms: diethyl{[(4- fluorophenyl)amino](phenyl)methyl}phosphonate
Smiles: CCOP(=O)(C(c1ccccc1)Nc1ccc(cc1)F)OCC

STK540349
Synonyms: 2- [(3- benzyl- 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)n1Cc1ccccc1)CCCCC3

STK540350
Synonyms: N- (3,4- dimethylphenyl)- 10- methyl- 8- phenyl- 11- (thiophen- 2- yl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1cccs1)n1c(=N2)c(Nc2ccc(c(c2)C)C)nc2c1cccc2)c1ccccc1

STK540351
Synonyms: 2,6,8- trimethyl- 3- (piperidin- 1- ylmethyl)quinolin- 4- ol
Smiles: Cc1cc(C)c2c(c1)c(O)c(c(n2)C)CN1CCCCC1

STK540352
Synonyms: 2- (3,5- dimethylpiperidin- 1- yl)- 1- (8- methyl- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: CC1CN(CC(C1)C)CC(=O)N1CCc2c(C1)c1cc(C)ccc1[nH]2

STK540353
Synonyms: N'- [(E)- (5- bromo- 2- methoxyphenyl)methylidene]- 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Cl)Br

STK540354
Synonyms: 3- amino- 4- (4- chlorophenyl)- N- [2- (trifluoromethyl)phenyl]- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: Clc1ccc(cc1)c1c2CCCc2nc2c1c(N)c(s2)C(=O)Nc1ccccc1C(F)(F)F

STK540355
Synonyms: 2- (2- ethylpiperidin- 1- yl)- 1- (8- methyl- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: CCC1CCCCN1CC(=O)N1CCc2c(C1)c1cc(C)ccc1[nH]2

STK540356
Synonyms: ethyl4- {[4- (ethoxycarbonyl)phenyl]amino}- 8- methylquinoline- 3- carboxylate
Smiles: CCOC(=O)c1ccc(cc1)Nc1c(cnc2c1cccc2C)C(=O)OCC

STK540357
Synonyms: 2,2,3,3,4,4,4- heptafluoro- N- (2- iodophenyl)butanamide
Smiles: O=C(C(C(C(F)(F)F)(F)F)(F)F)Nc1ccccc1I

STK540358
Synonyms: 2- cyclopropyl- N'- [(E)- phenylmethylidene]quinoline- 4- carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)C1CC1)N/N=C/c1ccccc1

STK540360
Synonyms: (3aR,4S,9aR,9bS)- 4- [(4- bromophenyl)carbonyl]- 8- (phenylcarbonyl)- 2- [3- (trifluoromethyl)phenyl]- 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)c1cccc(c1)C(F)(F)F)C(=O)c1ccccc1

STK540363
Synonyms: 2- cyclopropyl- N'- [(E)- (3- methoxy- 4- propoxyphenyl)methylidene]quinoline- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK540364
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- bromophenyl)carbonyl]- 3- chloro- 8- (2,4- dimethylphenyl)- 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]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1c1ccc(cc1C=C2)Cl)c1ccc(cc1C)C

STK540367
Synonyms: 2,2,3,3,4,4,5,5,5- nonafluoro- N- (4- methylpyridin- 2- yl)pentanamide
Smiles: O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Nc1nccc(c1)C

STK540368
Synonyms: 11- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC1CCCc2c1c1c(s2)ncn2c1nnc2

STK540370
Synonyms: 3- amino- 6- (3,4- dimethoxyphenyl)- N- (4- methoxy- 2- methylphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccc(c(c1)C)NC(=O)c1sc2c(c1N)ccc(n2)c1ccc(c(c1)OC)OC

STK540372
Synonyms: 2- cyclopropyl- N'- [(E)- (4- methylphenyl)methylidene]quinoline- 4- carbohydrazide
Smiles: Cc1ccc(cc1)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK540373
Synonyms: methyl2- [11- (4- chlorophenyl)- 2- ethyl- 4- oxo- 4,11- dihydro- 3H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 3- yl]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c2CCCCc2sc1n1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)Cl

STK540374
Synonyms: (5E)- 5- (4- hydroxybenzylidene)- 3- {[(E)- (4- hydroxyphenyl)methylidene]amino}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Oc1ccc(cc1)/C=N/N1C(=S)S/C(=C/c2ccc(cc2)O)/C1=O

STK540375
Synonyms: ethyl(8R,8aR)- 6- amino- 5,7,7- tricyano- 8- (2- methoxynaphthalen- 1- yl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1c(OC)ccc3c1cccc3)C(C(=C2C#N)N)(C#N)C#N

STK540376
Synonyms: (1'R,3R,3'R)- 3'- (1,3- benzodioxol- 5- ylcarbonyl)- 1'- [(4- bromophenyl)carbonyl]- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2

STK540378
Synonyms: 3- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 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: CC(=C)CSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)C(C)C

STK540379
Synonyms: 8- {[2- (diethylamino)ethyl]amino}- 1,3- dimethyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(CCNc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C)CC

STK540380
Synonyms: methyl{[4- (3- methylphenyl)- 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}acetate
Smiles: COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCCC3

STK540383
Synonyms: 2,7- bis(morpholin- 4- ylmethyl)- 1,8- bis[4- (pentyloxy)phenyl]octane- 1,8- dione
Smiles: CCCCCOc1ccc(cc1)C(=O)C(CN1CCOCC1)CCCCC(C(=O)c1ccc(cc1)OCCCCC)CN1CCOCC1

STK540385
Synonyms: 2- {(2E)- 2- [(1- ethyl- 3,5- dimethyl- 1H- pyrazol- 4- yl)methylidene]hydrazinyl}- 4,6- dimethylpyrimidine
Smiles: CCn1nc(c(c1C)/C=N/Nc1nc(C)cc(n1)C)C

STK540386
Synonyms: methyl4- [(E)- {2- [azepan- 1- yl(oxo)acetyl]hydrazinylidene}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)C(=O)N1CCCCCC1

STK540387
Synonyms: 3- amino- 4- (4- methoxyphenyl)- 6- (thiophen- 2- yl)thieno[2,3- b]pyridine- 2- carbonitrile
Smiles: COc1ccc(cc1)c1cc(nc2c1c(N)c(s2)C#N)c1cccs1

STK540388
Synonyms: ethyl4- ethoxy- 5- (2- hydroxyethyl)- 1- (4- nitrophenyl)- 1,4- dihydro- 1,2,4- diazaphosphinine- 3- carboxylate4- oxide
Smiles: CCOC(=O)C1=NN(C=C(P1(=O)OCC)CCO)c1ccc(cc1)[N+](=O)[O-]

STK540390
Synonyms: (6aR,6bS,9aR,10S)- 10- acetyl- 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: Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)C)[N+](=O)[O-]

STK540391
Synonyms: 8- [(E)- (4H- 1,2,4- triazol- 4- ylimino)methyl]- 4H- 1,3- benzodioxine- 6- carboxylicacid
Smiles: OC(=O)c1cc(/C=N/n2cnnc2)c2c(c1)COCO2

STK540395
Synonyms: 4- benzyl- 7- (propan- 2- yl)- 1- (propylsulfanyl)- 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: CCCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC(OC3)C(C)C

STK540398
Synonyms: methyl5- bromo- 3- [(3- cyclopentylpropanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCC1CCCC1)cc(cc2)Br

STK540400
Synonyms: methyl5,6- dimethoxy- 3- {[(2- nitrophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1[N+](=O)[O-])cc(c(c2)OC)OC

STK540401
Synonyms: 11- (4- bromophenyl)- N- (3,4- dimethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Brc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)C)C)c1ccccc1

STK540402
Synonyms: 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK540403
Synonyms: methyl2- ({[2- amino- 1- (4- butylphenyl)- 1H- pyrrolo[2,3- b]quinoxalin- 3- yl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

STK540404
Synonyms: 1- [(1,3- benzodioxol- 5- ylmethyl)sulfanyl]- 4- (3- methylphenyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1cccc(c1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccc2c(c1)OCO2

STK540405
Synonyms: 6- ethyl- 2- ({[(2E)- 3- phenylprop- 2- enoyl]carbamothioyl}amino)- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)/C=C/c1ccccc1

STK540406
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}propanamide
Smiles: O=C(C(Sc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C)C)NCc1ccccc1

STK540407
Synonyms: 4- (4- chlorophenyl)- 6- phenyl- 2- {[2- (piperidin- 1- yl)ethyl]sulfanyl}pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCCN2CCCCC2)nc(cc1c1ccc(cc1)Cl)c1ccccc1

STK540408
Synonyms: (8R,8aR,11aS,11bS)- 8- acetyl- 10- (3,5- dichlorophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: CC(=O)[C@H]1[C@H]2[C@@H]([C@@H]3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl

STK540409
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(E)- [2- hydroxy- 3- (prop- 2- en- 1- yl)phenyl]methylidene}acetohydrazide
Smiles: C=CCc1cccc(c1O)/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Br

STK540410
Synonyms: 2,3- dimethoxy- 6- [2- (naphthalen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)cccc2

STK540411
Synonyms: N- [(E)- {4- methoxy- 3- [(pyridin- 2- ylsulfanyl)methyl]phenyl}methylidene]- 1H- 1,2,4- triazol- 1- amine
Smiles: COc1ccc(cc1CSc1ccccn1)/C=N/n1cncn1

STK540412
Synonyms: 2- {4- [(E)- {2- [(1,3- benzothiazol- 2- ylsulfanyl)acetyl]hydrazinylidene}methyl]- 2- methoxyphenoxy}acetamide
Smiles: COc1cc(/C=N/NC(=O)CSc2nc3c(s2)cccc3)ccc1OCC(=O)N

STK540413
Synonyms: 3- (pentylsulfanyl)- 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: CCCCCSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)C(C)C

STK540414
Synonyms: N'- [(E)- naphthalen- 1- ylmethylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccc2c1cccc2

STK540416
Synonyms: 1,3- dimethyl- 8- (piperidin- 1- yl)- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCCCC1

STK540418
Synonyms: 8- chloro- 3- {[(E)- (4- hydroxy- 3,5- dimethoxyphenyl)methylidene]amino}- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1cc(/C=N/n2c(=O)[nH]c3c(c2=O)[nH]c2c3cc(cc2)Cl)cc(c1O)OC

STK540419
Synonyms: 4- {[(pyridin- 4- ylcarbonyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(Nc1ccc(cc1)C(=O)O)NC(=O)c1ccncc1

STK540420
Synonyms: 8- (dodecylsulfanyl)- 3- methyl- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCCCCCSc1nc2c(n1CC=C)c(=O)[nH]c(=O)n2C

STK540422
Synonyms: (2E)- 2- [(5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- N- (2,4- dichlorophenyl)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK540424
Synonyms: (2E)- 3- [3- (1H- benzotriazol- 1- ylmethyl)- 4- methoxyphenyl]- 1- cyclopropylprop- 2- en- 1- one
Smiles: COc1ccc(cc1Cn1nnc2c1cccc2)/C=C/C(=O)C1CC1

STK540425
Synonyms: 2- bromo- N- [1- (phenylcarbonyl)- 1,2,3,4- tetrahydroquinolin- 6- yl]benzamide
Smiles: O=C(c1ccccc1Br)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1

STK540426
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- [(1Z)- 1- phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N/NC(=O)CSc1nc2c(s1)cccc2)/c1ccccc1

STK540427
Synonyms: ethyl3- [(E)- {4- [hydroxy(diphenyl)methyl]piperidin- 1- yl}diazenyl]- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CC[C@H](CC1)C(c1ccccc1)(c1ccccc1)O)cc(cc2)OC

STK540428
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- [(E)- {2- [(4- chlorobenzyl)oxy]phenyl}methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(s1)cccc2)N/N=C/c1ccccc1OCc1ccc(cc1)Cl

STK540429
Synonyms: N'- [(E)- (4- bromophenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccc(cc1)Br

STK540430
Synonyms: 6- chloro- N,N'- dimethyl- N,N'- dioctadecyl- 1,3,5- triazine- 2,4- diamine
Smiles: CCCCCCCCCCCCCCCCCCN(c1nc(nc(n1)Cl)N(CCCCCCCCCCCCCCCCCC)C)C

STK540431
Synonyms: 1- butyl- 4- hydroxy- N- (4- methoxybenzyl)- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCCCn1c(=O)c(C(=O)NCc2ccc(cc2)OC)c(c2c1cccc2)O

STK540432
Synonyms: 6- (butylamino)- 3,3- dimethyl- 8- (2- methylpropyl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCNc1nc(CC(C)C)c2c(c1C#N)CC(OC2)(C)C

STK540434
Synonyms: 8- chloro- 3- (furan- 2- ylmethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Clc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)Cc1ccco1

STK540435
Synonyms: 2- (4- {[(4- bromophenyl)carbonyl]carbamothioyl}piperazin- 1- yl)- 8- ethyl- 5- oxo- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1ccc(cc1)Br

STK540436
Synonyms: ethyl(1- hydroxycyclohexyl)(pentafluorophenyl)phosphinate
Smiles: CCOP(=O)(C1(O)CCCCC1)c1c(F)c(F)c(c(c1F)F)F

STK540437
Synonyms: 3- {[(E)- {3- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 4- methoxyphenyl}methylidene]amino}- 7,8- dimethoxy- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(c(c1)OC)OC

STK540439
Synonyms: (5E)- 5- (4- ethoxybenzylidene)- 2- [4- (3- methylphenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCN(CC1)c1cccc(c1)C

STK540440
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (5- phenyl- 1H- pyrazol- 4- yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1cn[nH]c1c1ccccc1

STK540441
Synonyms: (1'R,3R,3'R,3a'S)- 1'- [(4- bromophenyl)carbonyl]- 3'- [(3,4- dimethoxyphenyl)carbonyl]- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1[C@@H]2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)cccc3

STK540442
Synonyms: 3- amino- N- benzyl- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)NCc1ccccc1

STK540443
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- {(E)- [4- (diethylamino)phenyl]methylidene}acetohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)Cn1nnnc1N)CC

STK540446
Synonyms: N- phenyl- 2- {[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]isoquinolin- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1)CSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)C(C)C

STK540447
Synonyms: 3- [2- (3,4- dimethoxyphenyl)- 4- hydroxy- 5- oxo- 3- (phenylcarbonyl)- 2,5- dihydro- 1H- pyrrol- 1- yl]propanoicacid
Smiles: COc1cc(ccc1OC)C1N(CCC(=O)O)C(=O)C(=C1C(=O)c1ccccc1)O

STK540448
Synonyms: 3- {[(E)- (4- chlorophenyl)methylidene]amino}- 2- propylquinazolin- 4(3H)- one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(cc1)Cl

STK540449
Synonyms: N'- [(E)- anthracen- 9- ylmethylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1c2ccccc2cc2c1cccc2

STK540450
Synonyms: N- [1,3- dihydroxy- 2- (hydroxymethyl)propan- 2- yl]- 6- oxo- 1,6- dihydropyridazine- 3- carboxamide
Smiles: OCC(NC(=O)c1ccc(=O)[nH]n1)(CO)CO

STK540451
Synonyms: (2E)- 2- [2- (8- bromo- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)ethylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C/Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

STK540453
Synonyms: 7- dodecyl- 3- methyl- 8- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCCCCCn1c(SCC(=C)C)nc2c1c(=O)[nH]c(=O)n2C

STK540454
Synonyms: 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N'- [(2Z,3E)- 4- phenylbut- 3- en- 2- ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C(\C=C\c1ccccc1)/C

STK540456
Synonyms: N'- [(E)- pyridin- 4- ylmethylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1ccncc1

STK540457
Synonyms: 8- [(2E)- 2- (2- hydroxy- 3- methoxybenzylidene)hydrazinyl]- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(N/N=C/c2cccc(c2O)OC)nc2c1c(=O)n(c(=O)n2C)C

STK540458
Synonyms: methyl3- ({[4- (2,3- dimethylphenyl)piperazin- 1- yl]acetyl}amino)- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1C)C)cc(c(c2)OC)OC

STK540459
Synonyms: N'- (6- ethylthieno[2,3- d]pyrimidin- 4- yl)- N,N- dimethylpropane- 1,3- diamine
Smiles: CCc1sc2c(c1)c(NCCCN(C)C)ncn2

STK540460
Synonyms: (3E)- 3- [2- (3,4- dimethoxyphenyl)- 2- oxoethylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: COc1cc(ccc1OC)C(=O)/C=C\1/C(=O)Nc2c1cccc2

STK540461
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- bromophenyl)carbonyl]- 3- chloro- 8- [3- (trifluoromethyl)phenyl]- 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)c1cccc(c1)C(F)(F)F)C=Cc1c2ccc(c1)Cl

STK540462
Synonyms: 11- (4- ethylphenyl)- 2- methyl- 3- (1- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCc1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C(c1ccccc1)C

STK540463
Synonyms: N'- [(E)- (4- nitrophenyl)methylidene]- 2- phenylquinoline- 4- carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)c1ccccc1)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK540464
Synonyms: (6aR,6bS,9aR,10S)- 8- (4- fluorophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)N

STK540465
Synonyms: methyl3- {[(3- methoxyphenyl)carbonyl]amino}- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COc1cccc(c1)C(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STK540466
Synonyms: 2- [(1,3- dioxolan- 2- ylmethyl)(methyl)amino]- 1- (2- methyl- 1H- indol- 3- yl)ethanone
Smiles: CN(CC(=O)c1c(C)[nH]c2c1cccc2)CC1OCCO1

STK540468
Synonyms: N'- [(E)- (5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK540469
Synonyms: 2- bromo- N- (3- cyano- 4,5,6,6a- tetrahydro- 3aH- cyclopenta[b]thiophen- 2- yl)propanamide
Smiles: N#CC1=C(NC(=O)C(Br)C)SC2C1CCC2

STK540470
Synonyms: 3- amino- N- (3,4- dimethylphenyl)- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccc(c(c1)C)C

STK540471
Synonyms: 8- chloro- 3- (2- hydroxyethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: OCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540473
Synonyms: N- (3,4- dichlorophenyl)- 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(Nc1ccc(c(c1)Cl)Cl)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK540474
Synonyms: ethyl5- methoxy- 3- {[(3- methylphenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C)cc(cc2)OC

STK540475
Synonyms: N,N- dimethyl- N'- [2- (4- nitrophenyl)quinazolin- 4- yl]ethane- 1,2- diamine
Smiles: CN(CCNc1nc(nc2c1cccc2)c1ccc(cc1)[N+](=O)[O-])C

STK540476
Synonyms: 6- methyl- 1,3,4- triphenyl- 1,4- dihydro- 1,2,4- diazaphosphinine4- sulfide
Smiles: CC1=CP(=S)(c2ccccc2)C(=NN1c1ccccc1)c1ccccc1

STK540477
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,7- tridecafluoro- N- (3- fluorophenyl)heptanamide
Smiles: Fc1cccc(c1)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

STK540478
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (4- ethoxy- 3- hydroxyphenyl)methylidene]acetohydrazide
Smiles: CCOc1ccc(cc1O)/C=N/NC(=O)Cn1nnnc1N

STK540480
Synonyms: 2'- amino- 4- ethyl- 7',9'- dimethylspiro[cyclohexane- 1,4'- pyrano[2',3':4,5]thieno[2,3- b]pyridine]- 3'- carbonitrile
Smiles: CCC1CCC2(CC1)C(=C(N)Oc1c2sc2c1c(C)cc(n2)C)C#N

STK540481
Synonyms: 3- ({(E)- [4- (diethylamino)phenyl]methylidene}amino)- 8- methoxy- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1ccc(cc1)N(CC)CC

STK540482
Synonyms: 7- ethyl- 1,3- dimethyl- 8- {(2E)- 2- [(2E)- 3- phenylprop- 2- en- 1- ylidene]hydrazinyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(N/N=C/C=C/c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK540486
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- pyridin- 4- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccncc1

STK540487
Synonyms: ethyl(8R,8aR)- 6- amino- 5,7,7- tricyano- 8- (2- fluoro- 5- methoxyphenyl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1cc(OC)ccc1F)C(C(=C2C#N)N)(C#N)C#N

STK540488
Synonyms: (1'R,3R,3'R)- 1',3'- bis[(4- methoxyphenyl)carbonyl]- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)OC)cccc3

STK540489
Synonyms: N'- (1- benzyl- 1H- pyrazolo[3,4- d]pyrimidin- 4- yl)- 2,4- dichlorobenzohydrazide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NNc1ncnc2c1cnn2Cc1ccccc1

STK540490
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- (5- nitrothiophen- 2- yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK540491
Synonyms: methyl(2- fluoro- 1- hydroxy- 1- phenylethyl)(phenylethynyl)phosphinate
Smiles: COP(=O)(C(c1ccccc1)(CF)O)C#Cc1ccccc1

STK540492
Synonyms: N- (2- methylphenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK540493
Synonyms: (2E)- 3- (3- nitrophenyl)- N- [1- (phenylcarbonyl)- 1,2,3,4- tetrahydroquinolin- 6- yl]prop- 2- enamide
Smiles: O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-]

STK540495
Synonyms: 5- (4- tert- butylphenyl)- 7,9- dichloro- 2- (4- methoxyphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)cc(c1OC2c1ccc(cc1)C(C)(C)C)Cl

STK540496
Synonyms: 4- [9- bromo- 2- (4- ethoxyphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]phenyl4- bromobenzoate
Smiles: CCOc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccc(cc1)OC(=O)c1ccc(cc1)Br

STK540497
Synonyms: 2- {4- [(E)- {2- [(2,4- dichlorophenyl)carbamothioyl]hydrazinylidene}methyl]- 2- methoxyphenoxy}acetamide
Smiles: COc1cc(/C=N/NC(=S)Nc2ccc(cc2Cl)Cl)ccc1OCC(=O)N

STK540499
Synonyms: 3- benzyl- 6- (propan- 2- yl)- 2- (prop- 2- en- 1- ylsulfanyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)C(C)C

STK540500
Synonyms: (8R,8aR)- 6- amino- 8- (2- methoxynaphthalen- 1- yl)- 2- (propan- 2- yl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(C)C)c1c(OC)ccc2c1cccc2)(C#N)C#N

STK540501
Synonyms: 2- cyclopropyl- N'- [(E)- 1H- indol- 3- ylmethylidene]quinoline- 4- carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)C1CC1)N/N=C/c1c[nH]c2c1cccc2

STK540502
Synonyms: 3- amino- 6- ethyl- N- (4- fluorophenyl)- 5- methylthieno[2,3- b]pyridine- 2- carboxamide
Smiles: CCc1nc2sc(c(c2cc1C)N)C(=O)Nc1ccc(cc1)F

STK540503
Synonyms: 2- [(3aR,4R,7S,7aS)- 5,6- dibromo- 1,3- dioxooctahydro- 2H- 4,7- methanoisoindol- 2- yl]pentanedioicacid
Smiles: BrC1[C@@H]2C[C@H](C1Br)[C@H]1[C@@H]2C(=O)N(C1=O)C(C(=O)O)CCC(=O)O

STK540504
Synonyms: 3- (cyanomethyl)- 6- methyl- 4- oxo- 5- phenyl- 4,5- dihydro- 3H- pyrrolo[3,2- d]pyrimidine- 7- carbonitrile
Smiles: N#CCn1cnc2c(c1=O)n(c1ccccc1)c(c2C#N)C

STK540505
Synonyms: (6aR,6bS,9aR,10S)- 8- (2- fluorophenyl)- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1N(c2ccccc2F)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)c1ccccc1)N1[C@@H]2C=Cc2c1cccc2

STK540506
Synonyms: (2E)- N- (2,4- dichlorophenyl)- 2- (2- hydroxybenzylidene)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1ccccc1O

STK540507
Synonyms: N'- [(E)- {4- [(3,4- dichlorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2cncn2)ccc1OCc1ccc(c(c1)Cl)Cl

STK540508
Synonyms: N'- [(E)- {2- [(4- chlorobenzyl)oxy]phenyl}methylidene]- 2- cyclopropylquinoline- 4- carbohydrazide
Smiles: Clc1ccc(cc1)COc1ccccc1/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK540510
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- (4- chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccc(cc1)Cl

STK540512
Synonyms: (3aR,4S,9aR,9bS)- 4- [(4- bromophenyl)carbonyl]- 2- phenyl- 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)c1ccccc1)C(=O)c1ccccc1

STK540513
Synonyms: 3- cyclohexyl- 11- (furan- 2- ylmethyl)- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1nc2c(c(=O)n1C1CCCCC1)c1c(n2Cc2ccco2)nc2c(n1)cccc2

STK540514
Synonyms: N- [1,2- dihydroacenaphthylen- 5- yl(phenyl)methyl]- 6- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)hexanamide
Smiles: O=C(NC(c1ccc2c3c1cccc3CC2)c1ccccc1)CCCCCN1C(=O)c2c(C1=O)cccc2

STK540515
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(1E)- 1- (2,4- dimethoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)Cn1nnc(n1)N)/C

STK540517
Synonyms: 8- chloro- 3- {[(E)- (2,4- dihydroxyphenyl)methylidene]amino}- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540518
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- bromophenyl)carbonyl]- 3- chloro- 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=Cc2c1ccc(c2)Cl)C(=O)c1ccc(cc1)Br

STK540521
Synonyms: ethyl4- [(3- chlorophenyl)amino]- 8- methylquinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc(c1)Cl)cccc2C

STK540522
Synonyms: 3- {[(E)- (2- hydroxy- 5- nitrophenyl)methylidene]amino}- 2- propylquinazolin- 4(3H)- one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK540523
Synonyms: 5- (4- methylphenyl)- 4- [2- oxo- 2- (phenylamino)ethyl]- N- phenylthiophene- 2- carboxamide
Smiles: Cc1ccc(cc1)c1sc(cc1CC(=O)Nc1ccccc1)C(=O)Nc1ccccc1

STK540524
Synonyms: 8- {[2- (diethylamino)ethyl]amino}- 3- methyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(CCNc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C)CC

STK540525
Synonyms: ethyl1- [(phenylcarbonyl)amino]- 5- (propan- 2- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1NC(=O)c1ccccc1)c1CCCCc1c(n2)C(C)C

STK540526
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccccc1F

STK540527
Synonyms: ethyl5- fluoro- 3- {[(3,4,5- trimethoxyphenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cc(OC)c(c(c1)OC)OC)cc(cc2)F

STK540528
Synonyms: 4- benzyl- 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)n2Cc1ccccc1)CC(OC3)C(C)C

STK540529
Synonyms: 1- (ethoxycarbonyl)- 2,3,4,9- tetrahydro- 1H- carbazole- 8- carboxylicacid
Smiles: CCOC(=O)C1CCCc2c1[nH]c1c2cccc1C(=O)O

STK540530
Synonyms: 8- bromo- 7- (2- chloro- 6- fluorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1cccc(c1Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C)Cl

STK540532
Synonyms: N- (2- fluorobenzyl)- 3- (furan- 2- yl)- 3- (2- methoxyphenyl)propan- 1- amine
Smiles: COc1ccccc1C(c1ccco1)CCNCc1ccccc1F

STK540533
Synonyms: 9,9'- (oxydimethanediyl)bis(9H- carbazole)
Smiles: c1ccc2c(c1)n(COCn1c3ccccc3c3c1cccc3)c1c2cccc1

STK540534
Synonyms: 8- chloro- 3- ({(E)- [4- (prop- 2- en- 1- yloxy)phenyl]methylidene}amino)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: C=CCOc1ccc(cc1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540535
Synonyms: ethyl[{[dimethyl(oxido)- lambda~6~- sulfanylidene]amino}(diphenyl)- lambda~5~- phosphanylidene][(E)- (4- nitrophenyl)diazenyl]acetate
Smiles: CCOC(=O)C(=P(c1ccccc1)(c1ccccc1)N=S(=O)(C)C)/N=N/c1ccc(cc1)[N+](=O)[O-]

STK540536
Synonyms: (2E)- N- (2,4- dichlorophenyl)- 2- [(1- ethyl- 3,5- dimethyl- 1H- pyrazol- 4- yl)methylidene]hydrazinecarbothioamide
Smiles: CCn1nc(c(c1C)/C=N/NC(=S)Nc1ccc(cc1Cl)Cl)C

STK540538
Synonyms: (2E)- 2- (3- bromo- 4- hydroxy- 5- methoxybenzylidene)- N- (2,4- dichlorophenyl)hydrazinecarbothioamide
Smiles: COc1cc(/C=N/NC(=S)Nc2ccc(cc2Cl)Cl)cc(c1O)Br

STK540540
Synonyms: 1- ethyl- 6- fluoro- 4- oxo- 7- (4- tridecanoylpiperazin- 1- yl)- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCCCCCCCCCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK540541
Synonyms: 1- phenyl- 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(c1ccccc1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C

STK540543
Synonyms: (8S,8aR)- 6- amino- 8- (4- tert- butylphenyl)- 2- ethyl- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: CCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1)C(C)(C)C)C(C(=C2C#N)N)(C#N)C#N

STK540544
Synonyms: (1'R,3R,3'R)- 1'- [(4- bromophenyl)carbonyl]- 7'- chloro- 3'- (phenylcarbonyl)- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Clc1ccc2c(c1)C=CC1N2[C@@H](C(=O)c2ccc(cc2)Br)[C@]2([C@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1

STK540545
Synonyms: ethyl4- [2- (2- {[3- (ethoxycarbonyl)- 6- methoxyquinolin- 4- yl]amino}ethyl)- 1H- benzimidazol- 1- yl]- 6- methoxyquinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1NCCc1nc3c(n1c1c(cnc4c1cc(OC)cc4)C(=O)OCC)cccc3)cc(cc2)OC

STK540546
Synonyms: 4,6- dimethyl- 2- [(2Z)- 2- (1- phenylpropylidene)hydrazinyl]pyrimidine
Smiles: CC/C(=N/Nc1nc(C)cc(n1)C)/c1ccccc1

STK540547
Synonyms: (9E)- 3- (4- bromophenyl)- 9- (4- methylbenzylidene)- 5- (4- methylphenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: Cc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)Br)/C(=C/c1ccc(cc1)C)/CCC2

STK540548
Synonyms: 1,3- dimethyl- 7- (2- phenylethyl)- 8- (propylamino)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCNc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK540551
Synonyms: 2- {[3- cyano- 6- (3,4- dimethoxyphenyl)pyridin- 2- yl]sulfanyl}- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(c(c1)OC)OC

STK540552
Synonyms: N'- [(E)- (4- fluorophenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccc(cc1)F

STK540553
Synonyms: 5- (morpholin- 4- yl)- 8- [(2- phenylethyl)sulfanyl]- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCCC2)ncnc3SCCc1ccccc1

STK540554
Synonyms: 4- (hexadecyloxy)- 8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCCCCCCCCCCCCCOc1ncnc2c1sc1c2cc2c(n1)CC(OC2)(C)C

STK540555
Synonyms: (2Z)- 2- (3,3- dimethyl- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- N- (thiophen- 2- yl)ethanamide
Smiles: O=C(/C=C/1\NC(C)(C)Cc2c1cccc2)Nc1cccs1

STK540556
Synonyms: ethyl1- (4- bromophenyl)- 4- ethoxy- 5- (2- hydroxyethyl)- 1,4- dihydro- 1,2,4- diazaphosphinine- 3- carboxylate4- oxide
Smiles: CCOC(=O)C1=NN(C=C(P1(=O)OCC)CCO)c1ccc(cc1)Br

STK540558
Synonyms: N'- [(E)- {4- [(3,4- dichlorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccccc2)ccc1OCc1ccc(c(c1)Cl)Cl

STK540559
Synonyms: N'- [(E)- (2- chlorophenyl)methylidene]- 2- [4- (1H- tetrazol- 1- yl)phenoxy]acetohydrazide
Smiles: O=C(COc1ccc(cc1)n1cnnn1)N/N=C/c1ccccc1Cl

STK540561
Synonyms: 2- [(3- benzyl- 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)n1Cc1ccccc1)CCCCC3

STK540562
Synonyms: 3- amino- N- [4- (butan- 2- yl)phenyl]- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: CCC(c1ccc(cc1)NC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC)C

STK540563
Synonyms: methyl2- [({2- amino- 1- [2- (3,4- dimethoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxalin- 3- yl}carbonyl)amino]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COc1cc(ccc1OC)CCn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

STK540564
Synonyms: methyl2- {[3- (3- methylphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}propanoate
Smiles: COC(=O)C(Sc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCCC3)C

STK540565
Synonyms: 8- bromo- 1,3- dimethyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCc1ccccc1)c(n2)Br

STK540567
Synonyms: ethyl5- fluoro- 3- {[(3- methoxyphenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)OC)cc(cc2)F

STK540568
Synonyms: N'- [(E)- (4- fluorophenyl)methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccc(cc1)F

STK540569
Synonyms: methyl5- chloro- 3- [(2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}propanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)C)cc(cc2)Cl

STK540570
Synonyms: 3- {[(E)- (4- ethoxyphenyl)methylidene]amino}- 2- [(2- methylphenoxy)methyl]quinazolin- 4(3H)- one
Smiles: CCOc1ccc(cc1)/C=N/n1c(COc2ccccc2C)nc2c(c1=O)cccc2

STK540571
Synonyms: (1'R,3R,3'R)- 1'- [(4- bromophenyl)carbonyl]- 7'- chloro- 3'- [(4- fluorophenyl)carbonyl]- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Fc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)ccc(c3)Cl

STK540572
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1Z)- 1- (4- methoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C(=N\NC(=O)CSc1nnc(n1C)c1ccc(cc1)Cl)/C

STK540573
Synonyms: 4- (4- methoxyphenyl)- 1- [(2- phenylethyl)sulfanyl]- 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)n1c2nnc(n2c2c(c1=O)c1CC(OCc1s2)C(C)C)SCCc1ccccc1

STK540575
Synonyms: 1- (heptylsulfanyl)- 4- (4- methylphenyl)- 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: CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CC(OC3)C(C)C

STK540576
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,7- tridecafluoro- N- (4- iodophenyl)heptanamide
Smiles: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1ccc(cc1)I

STK540577
Synonyms: (1'R,3R,3'R)- 1'- [(4- bromophenyl)carbonyl]- 3'- [(3- methoxyphenyl)carbonyl]- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1cccc(c1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)cccc3

STK540578
Synonyms: 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 8- {(2Z)- 2- [1- (2- hydroxyphenyl)ethylidene]hydrazinyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(N/N=C(\c2ccccc2O)/C)nc2c1c(=O)n(C)c(=O)n2C)COc1ccccc1C

STK540579
Synonyms: N'- [(E)- furan- 2- ylmethylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccco1

STK540580
Synonyms: (9E)- 3- (4- fluorophenyl)- 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)c1ccc(cc1)F)/C(=C/c1ccc(cc1)OC)/CCC2

STK540581
Synonyms: 8- {(2E)- 2- [4- (dimethylamino)benzylidene]hydrazinyl}- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(N/N=C/c2ccc(cc2)N(C)C)nc2c1c(=O)n(c(=O)n2C)C

STK540583
Synonyms: 3- {[(E)- {3- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 4- methoxyphenyl}methylidene]amino}- 8- methoxy- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1ccc(c(c1)CN1C(=O)c2c(C1=O)cccc2)OC

STK540584
Synonyms: methyl[(4- bromophenyl)(hydroxy)methyl][(E)- 2- phenylethenyl]phosphinate
Smiles: COP(=O)(C(c1ccc(cc1)Br)O)/C=C/c1ccccc1

STK540585
Synonyms: N- [4- (4,4- dimethyl- 3,5- diphenyl- 4,5- dihydro- 1H- pyrazol- 1- yl)benzyl]- 1- propyl- 1H- benzimidazol- 2- amine
Smiles: CCCn1c(NCc2ccc(cc2)N2N=C(C(C2c2ccccc2)(C)C)c2ccccc2)nc2c1cccc2

STK540586
Synonyms: N'- [(E)- {2- [(4- chlorobenzyl)oxy]phenyl}methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccccc1OCc1ccc(cc1)Cl

STK540587
Synonyms: 3- (4- methoxyphenyl)- 2- (pentylsulfanyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCCCCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CC(OC3)C(C)C

STK540588
Synonyms: 4- (3- methylphenyl)- 1- [(2- oxo- 2- phenylethyl)sulfanyl]- 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)c3ccccc3)nnc2n(c1=O)c1cccc(c1)C)C

STK540589
Synonyms: N'- [(1E)- 1- (2,4- dimethoxyphenyl)ethylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)CSc1ccccn1)/C

STK540590
Synonyms: methyl2- ({[(2,4- dichlorophenyl)carbonyl]carbamothioyl}amino)- 4- ethyl- 5- methylthiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2Cl)Cl)sc(c1CC)C

STK540591
Synonyms: 7- ethyl- 1,3- dimethyl- 8- [(2E)- 2- (pyridin- 4- ylmethylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(N/N=C/c2ccncc2)nc2c1c(=O)n(c(=O)n2C)C

STK540592
Synonyms: (6aR,6bS,9aR,10S)- 8- (2,4- dichlorophenyl)- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccccc1

STK540594
Synonyms: N- {1- phenyl- 5- [(trichloroacetyl)amino]- 1H- 1,2,4- triazol- 3- yl}benzamide
Smiles: O=C(c1ccccc1)Nc1nc(n(n1)c1ccccc1)NC(=O)C(Cl)(Cl)Cl

STK540595
Synonyms: 2- methyl- N'- [(E)- (4- nitrophenyl)methylidene]quinoline- 4- carbohydrazide
Smiles: Cc1nc2ccccc2c(c1)C(=O)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK540596
Synonyms: 5- (morpholin- 4- yl)- 8- (propan- 2- ylsulfanyl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CC(Sc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)C

STK540597
Synonyms: 2- {4- [(E)- {2- [(5- amino- 2H- tetrazol- 2- yl)acetyl]hydrazinylidene}methyl]- 2- methoxyphenoxy}acetamide
Smiles: COc1cc(/C=N/NC(=O)Cn2nnc(n2)N)ccc1OCC(=O)N

STK540598
Synonyms: ethyl2- amino- 1- (3- {[(4- methoxyphenyl)carbonyl]oxy}propyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCCOC(=O)c1ccc(cc1)OC

STK540599
Synonyms: 3- {[(E)- (3- bromo- 2- hydroxy- 6,7,8,9- tetrahydrodibenzo[b,d]furan- 1- yl)methylidene]amino}- 2- methylquinazolin- 4(3H)- one
Smiles: Brc1cc2oc3c(c2c(c1O)/C=N/n1c(C)nc2c(c1=O)cccc2)CCCC3

STK540600
Synonyms: (5Z)- 2- [4- (diphenylmethyl)piperazin- 1- yl]- 5- (furan- 2- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccco1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK540603
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (4- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK540604
Synonyms: 8- [(2E)- but- 2- en- 1- ylsulfanyl]- 1,3- dimethyl- 7- (3- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C/C=C/CSc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

STK540605
Synonyms: 8- hydrazinyl- 2,2- dimethyl- 5- phenyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: NNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1

STK540606
Synonyms: N- (2- 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(Nc1ccccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK540607
Synonyms: methyl2- {[(thiophen- 2- ylacetyl)carbamothioyl]amino}- 4,5,6,7,8,9,10,11,12,13- decahydrocyclododeca[b]thiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=S)NC(=O)Cc2cccs2)sc2c1CCCCCCCCCC2

STK540608
Synonyms: 1- [(3- methylbutyl)sulfanyl]- 4- (3- methylphenyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(CCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCC3)C

STK540609
Synonyms: 2- cyclopropyl- N'- [(E)- (3,4- dimethoxyphenyl)methylidene]quinoline- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cc(nc3c2cccc3)C2CC2)ccc1OC

STK540610
Synonyms: (6aR,6bS,9aR,10S)- 8- (4- butoxyphenyl)- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccccc1

STK540613
Synonyms: 5,6,7,8- tetrafluoro- 4- (pentafluorophenyl)- 1,3- diphenyl- 1,4- dihydro- 1,2,4- benzodiazaphosphinine4- oxide
Smiles: Fc1c(F)c(F)c2c(c1F)N(N=C(P2(=O)c1c(F)c(F)c(c(c1F)F)F)c1ccccc1)c1ccccc1

STK540614
Synonyms: 1- amino- N- (3,4- dichlorophenyl)- 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(c(c1)Cl)Cl

STK540615
Synonyms: 2- cyano- 2- {3- [4- (diphenylmethyl)piperazin- 1- yl]quinoxalin- 2- yl}- N- (prop- 2- en- 1- yl)acetamide
Smiles: C=CCNC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1)C#N

STK540616
Synonyms: 3- ({(E)- [4- (dimethylamino)phenyl]methylidene}amino)- 2- [(2- methylphenoxy)methyl]quinazolin- 4(3H)- one
Smiles: Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccc(cc1)N(C)C

STK540619
Synonyms: N'- {(E)- [2- (benzyloxy)- 5- bromophenyl]methylidene}- 2,2- diphenylcyclopropanecarbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)C1CC1(c1ccccc1)c1ccccc1)OCc1ccccc1

STK540622
Synonyms: N- (4- 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(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK540623
Synonyms: 2- [(2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK540625
Synonyms: 6- fluoro- 3- (2- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl)- 4H- chromen- 4- one
Smiles: Fc1ccc2c(c1)c(=O)c(co2)C1Oc2ccccc2C2N1N=C(C2)c1ccccc1

STK540627
Synonyms: 2,4- dibromo- 6- {(E)- [2- (4,6- dimethylpyrimidin- 2- yl)hydrazinylidene]methyl}phenol
Smiles: Brc1cc(/C=N/Nc2nc(C)cc(n2)C)c(c(c1)Br)O

STK540628
Synonyms: 8- (cyclohexylamino)- 1,3- dimethyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C

STK540629
Synonyms: N- (1,3- benzothiazol- 2- yl)- 2,2,3,3,4,4,5,5,6,6,7,7,7- tridecafluoroheptanamide
Smiles: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1nc2c(s1)cccc2

STK540631
Synonyms: N'- [(E)- (4- chlorophenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccc(cc1)Cl

STK540632
Synonyms: (3Z)- 3- [(1,2- dimethyl- 1H- indol- 3- yl)methylidene]- 4- (propan- 2- ylidene)dihydrofuran- 2,5- dione
Smiles: O=C1OC(=O)C(=C(C)C)/C/1=C/c1c(C)n(c2c1cccc2)C

STK540633
Synonyms: 4,6- dichloro- 5- (4- ethoxy- 3- methylbenzyl)- 2- (methylsulfanyl)pyrimidine
Smiles: CCOc1ccc(cc1C)Cc1c(Cl)nc(nc1Cl)SC

STK540634
Synonyms: 7- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (1- phenylpentyl)heptanamide
Smiles: CCCCC(c1ccccc1)NC(=O)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK540637
Synonyms: 7- ethyl- 8- [(2E)- 2- (3- hydroxybenzylidene)hydrazinyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(N/N=C/c2cccc(c2)O)nc2c1c(=O)n(c(=O)n2C)C

STK540638
Synonyms: (8R,8aS,11aR,11bR)- 8- [(4- bromophenyl)carbonyl]- 10- (naphthalen- 1- yl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3

STK540639
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(E)- [4- (propan- 2- yl)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccc(cc1)C(C)C

STK540640
Synonyms: ethyl{[4- (3- methylphenyl)- 5- oxo- 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}acetate
Smiles: CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)C(C)C

STK540641
Synonyms: 11- [2- (difluoromethoxy)phenyl]- N- (4- ethylphenyl)- 10- methyl- 8- (2- methylphenyl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2OC(F)F)c(nn1c1ccccc1C)C

STK540642
Synonyms: 2- [(3- methylbenzyl)sulfanyl]- 4- phenyl- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCc2cccc(c2)C)nc(cc1c1ccccc1)c1cccs1

STK540644
Synonyms: methyl3- ({[3- (trifluoromethyl)phenyl]carbonyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C(F)(F)F)cccc2

STK540645
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- pyridin- 2- ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccccn1

STK540647
Synonyms: 2- (piperidin- 1- yl)ethyl1- phenylcyclopentanecarboxylate
Smiles: O=C(C1(CCCC1)c1ccccc1)OCCN1CCCCC1

STK540648
Synonyms: methyl3- {[(2- fluorophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1F)cccc2

STK540649
Synonyms: ethyl3- {[ethoxy(oxo)acetyl]amino}- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)C(=O)Nc1c([nH]c2c1cc(OC)cc2)C(=O)OCC

STK540650
Synonyms: N- (2,3- dichlorophenyl)- 2,2,3,3,4,4,5,5,6,6,7,7,7- tridecafluoroheptanamide
Smiles: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1cccc(c1Cl)Cl

STK540651
Synonyms: N'- [(E)- (2- chlorophenyl)methylidene]- 2- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)N/N=C/c1ccccc1Cl

STK540652
Synonyms: 4- ({3- methyl- 2- [(phenylcarbonyl)amino]but- 2- enoyl}amino)benzoicacid
Smiles: O=C(C(=C(C)C)NC(=O)c1ccccc1)Nc1ccc(cc1)C(=O)O

STK540653
Synonyms: N'- [(E)- (4- bromophenyl)methylidene]- 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1)Br

STK540654
Synonyms: 3- amino- N- (2,3- dimethoxybenzyl)- 6- (3,4- dimethoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cc(ccc1OC)c1ccc2c(n1)sc(c2N)C(=O)NCc1cccc(c1OC)OC

STK540655
Synonyms: 9- chloro- 2- (4- ethoxyphenyl)- 5- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: CCOc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OC2c1ccccc1

STK540656
Synonyms: 2- (4- benzylpiperidin- 1- yl)- 1- (2,6- dimethyl- 1H- indol- 3- yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCC(CC1)Cc1ccccc1)C

STK540657
Synonyms: 4,4'- {[6- (diethylamino)- 1,3,5- triazine- 2,4- diyl]bis(oxy)}dibenzohydrazide
Smiles: CCN(c1nc(Oc2ccc(cc2)C(=O)NN)nc(n1)Oc1ccc(cc1)C(=O)NN)CC

STK540658
Synonyms: 3- amino- N,6- bis(3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC

STK540659
Synonyms: 7- benzyl- 2- [(3,4- dichlorobenzyl)sulfanyl]- 3- (4- methylphenyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CCN(Cc1s2)Cc1ccccc1

STK540660
Synonyms: methyl5- fluoro- 3- {[(4- fluorophenyl)sulfonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(cc1)F)cc(cc2)F

STK540665
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- (furan- 2- ylmethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Clc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK540666
Synonyms: 3- ethyl6- methyl4- (naphthalen- 1- ylamino)quinoline- 3,6- dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc3c1cccc3)cc(cc2)C(=O)OC

STK540667
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- hydroxynaphthalen- 1- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1c(O)ccc2c1cccc2

STK540668
Synonyms: 3- {4- [(5E)- 5- (2- butoxybenzylidene)- 4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl]piperazin- 1- yl}propanenitrile
Smiles: CCCCOc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)CCC#N

STK540670
Synonyms: N'- [(1E)- 1- (4- chlorophenyl)ethylidene]- 6- oxo- 1,6- dihydropyridazine- 3- carbohydrazide
Smiles: Clc1ccc(cc1)/C(=N/NC(=O)c1ccc(=O)[nH]n1)/C

STK540671
Synonyms: 1- benzyl- 2- (4- bromophenyl)- 3- ethoxy- 5- methyl- 2,3- dihydro- 1H- 1,3- azaphosphole3- oxide
Smiles: CCOP1(=O)C=C(N(C1c1ccc(cc1)Br)Cc1ccccc1)C

STK540672
Synonyms: 11- (4- fluorophenyl)- 10- methyl- N- (4- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)F)C)c1ccccc1

STK540673
Synonyms: methyl3- {[(4- benzylpiperazin- 1- yl)acetyl]amino}- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)cc(c(c2)OC)OC

STK540674
Synonyms: 3- (4- methoxyphenyl)- 2- {[1- oxo- 1- (piperidin- 1- yl)propan- 2- yl]sulfanyl}- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: COc1ccc(cc1)n1c(SC(C(=O)N2CCCCC2)C)nc2c(c1=O)c1CC(OCc1s2)C(C)C

STK540675
Synonyms: (9E)- 9- (4- chlorobenzylidene)- 5- (4- chlorophenyl)- 3- (3- nitrophenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: Clc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1cccc(c1)[N+](=O)[O-])/C(=C/c1ccc(cc1)Cl)/CCC2

STK540676
Synonyms: ethyl[(2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK540677
Synonyms: 2- cyclopropyl- N'- [(1Z)- 1- phenylpropylidene]quinoline- 4- carbohydrazide
Smiles: CC/C(=N/NC(=O)c1cc(nc2c1cccc2)C1CC1)/c1ccccc1

STK540678
Synonyms: ethyl3- {[(4- fluorophenyl)carbonyl]amino}- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)F)cc(cc2)OC

STK540679
Synonyms: 3- {2- amino- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl}propyl3- nitrobenzoate
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)CCCOC(=O)c1cccc(c1)[N+](=O)[O-]

STK540681
Synonyms: 4- butoxy- N- {(1E)- 3- (ethylamino)- 3- oxo- 1- [4- (propan- 2- yloxy)phenyl]prop- 1- en- 2- yl}benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)N/C(=C/c1ccc(cc1)OC(C)C)/C(=O)NCC

STK540683
Synonyms: 3- (3,5- di- tert- butyl- 4- hydroxyphenyl)- N'- [(3Z)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]propanehydrazide
Smiles: O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)N/N=C/1\C(=O)Nc2c1cccc2

STK540685
Synonyms: N- (3- methylpyridin- 2- yl)- 1- phenylcyclopentanecarboxamide
Smiles: Cc1cccnc1NC(=O)C1(CCCC1)c1ccccc1

STK540686
Synonyms: 1- (butylsulfanyl)- 4- (3- methylphenyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCC3

STK540688
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- (1,3- dimethyl- 1H- pyrazol- 4- yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cn(nc1C)C

STK540689
Synonyms: ethyl1- (2- hydroxyethyl)- 2- imino- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: OCCn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)OCC

STK540690
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- bromophenyl)carbonyl]- 2- chloro- 8- (3- chlorophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc2c(c1)N1[C@H](C=C2)[C@@H]2[C@H]([C@H]1C(=O)c1ccc(cc1)Br)C(=O)N(C2=O)c1cccc(c1)Cl

STK540691
Synonyms: 8- (4- benzylpiperazin- 1- yl)- 3- methyl- 7- octyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)Cc1ccccc1

STK540692
Synonyms: 3- {[(E)- (3,5- dibromo- 2- hydroxyphenyl)methylidene]amino}- 2- methylquinazolin- 4(3H)- one
Smiles: Brc1cc(/C=N/n2c(C)nc3c(c2=O)cccc3)c(c(c1)Br)O

STK540694
Synonyms: 6- tert- butyl- 2- [(3- methoxybenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 5,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: COc1ccc(cc1)c1c(C#N)c(SCc2cccc(c2)OC)nc2c1CC(CC2)C(C)(C)C

STK540696
Synonyms: 2- {[5- (methylsulfanyl)- 10- (propan- 2- yl)- 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: CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccccc1)nn2)CC(OC3)C(C)C

STK540697
Synonyms: 2- {[4- (3- methylphenyl)- 5- oxo- 4,5,7,8- tetrahydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCC3

STK540698
Synonyms: (2E)- N- (2,4- dichlorophenyl)- 2- (pyridin- 3- ylmethylidene)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1cccnc1

STK540700
Synonyms: 3- methyl- 5- (methylsulfanyl)- 10- (propan- 2- yl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(C)nn2)CC(OC3)C(C)C

STK540701
Synonyms: 3- amino- N- (4- methoxybenzyl)- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC

STK540702
Synonyms: 2- {[3- cyano- 6- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)pyridin- 2- yl]sulfanyl}- N- (3,4- dimethoxyphenyl)acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1ccc(c(c1)OC)OC)C12CC3CC(C2)CC(C1)C3

STK540703
Synonyms: 3- (furan- 2- ylmethyl)- 11- (4- methoxybenzyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccc(cc1)Cn1c2nc3ccccc3nc2c2c1ncn(c2=O)Cc1ccco1

STK540704
Synonyms: 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 1,3- dimethyl- 8- {(2Z)- 2- [1- (4- nitrophenyl)ethylidene]hydrazinyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(N/N=C(\c2ccc(cc2)[N+](=O)[O-])/C)nc2c1c(=O)n(c(=O)n2C)C)COc1ccccc1C

STK540705
Synonyms: 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK540706
Synonyms: 8- {(2Z)- 2- [1- (2- hydroxyphenyl)ethylidene]hydrazinyl}- 1,3- dimethyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C(\c2ccccc2O)/C)nc2c1c(=O)n(c(=O)n2C)C

STK540707
Synonyms: (9E)- 3- (4- bromophenyl)- 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)c1ccc(cc1)Br)/C(=C/c1ccc(cc1)OC)/CCC2

STK540709
Synonyms: 2,2- difluoro- 2- (2,3,3,4,4,5,5- heptafluorotetrahydrofuran- 2- yl)- N- (4- methyl- 1,3- benzothiazol- 2- yl)acetamide
Smiles: Cc1cccc2c1nc(s2)NC(=O)C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F

STK540710
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- [(E)- (5- bromo- 2,4- dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)CSc1nc2c(s1)cccc2)Br

STK540712
Synonyms: 2- {4- [(E)- (2- {[(4,5- diphenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetyl}hydrazinylidene)methyl]- 2- methoxyphenoxy}acetamide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccccc2)c2ccccc2)ccc1OCC(=O)N

STK540714
Synonyms: {[4- (4- chlorophenyl)- 3- cyano- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}(phenyl)aceticacid
Smiles: N#Cc1c(SC(c2ccccc2)C(=O)O)nc(cc1c1ccc(cc1)Cl)c1cccs1

STK540716
Synonyms: ethyl5- fluoro- 3- {[(3- methylphenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C)cc(cc2)F

STK540717
Synonyms: 6- amino- 4- (2- chlorophenyl)- 3- methyl- 1- (4- methylphenyl)- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1Cl)c(C)nn2c1ccc(cc1)C

STK540718
Synonyms: ethyl3- ethyl- 4- {[(4- nitrophenyl)carbonyl]amino}- 2- thioxo- 2,3- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1sc(=S)n(c1NC(=O)c1ccc(cc1)[N+](=O)[O-])CC

STK540719
Synonyms: N- (4- {[3- (4- benzylpiperazin- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl]sulfamoyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(CC2)Cc2ccccc2)C(=O)c2c(C1=O)cccc2

STK540720
Synonyms: N'- (1- benzyl- 1H- pyrazolo[3,4- d]pyrimidin- 4- yl)- 2- phenylacetohydrazide
Smiles: O=C(Cc1ccccc1)NNc1ncnc2c1cnn2Cc1ccccc1

STK540721
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (3- bromo- 4- hydroxy- 5- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nnnc2N)cc(c1O)Br

STK540723
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (4- methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccc(cc1)C

STK540727
Synonyms: 2- amino- 1- (4- butylphenyl)- N- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)NCCc1ccccc1

STK540728
Synonyms: (2E)- 3- {3- [(1H- benzimidazol- 2- ylsulfanyl)methyl]- 4- methoxyphenyl}- 1- (4- methoxyphenyl)prop- 2- en- 1- one
Smiles: COc1ccc(cc1)C(=O)/C=C/c1ccc(c(c1)CSc1nc2c([nH]1)cccc2)OC

STK540730
Synonyms: 3- methyl- 7- octyl- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCC1

STK540732
Synonyms: methyl4- [(8S,8aR)- 6- amino- 5,7,7- tricyano- 2- methyl- 1,2,3,7,8,8a- hexahydroisoquinolin- 8- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1[C@H]2CN(C)CC=C2C(=C(C1(C#N)C#N)N)C#N

STK540733
Synonyms: 1- {(E)- [(6- methoxy- 1,3- benzothiazol- 2- yl)imino]methyl}naphthalen- 2- ol
Smiles: COc1ccc2c(c1)sc(n2)/N=C/c1c(O)ccc2c1cccc2

STK540735
Synonyms: [3- amino- 6- methyl- 4- (trifluoromethyl)thieno[2,3- b]pyridin- 2- yl](4- fluorophenyl)methanone
Smiles: Fc1ccc(cc1)C(=O)c1sc2c(c1N)c(cc(n2)C)C(F)(F)F

STK540736
Synonyms: 2- {[3- (2- 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)n1c1ccccc1C)CCCCC3

STK540737
Synonyms: 4- (2- amino- 3,4- dicyano- 5- phenyl- 1H- pyrrol- 1- yl)benzoicacid
Smiles: N#Cc1c(C#N)c(n(c1c1ccccc1)c1ccc(cc1)C(=O)O)N

STK540738
Synonyms: 6- ethyl- 2- ({[(2E)- 3- (4- methylphenyl)prop- 2- enoyl]carbamothioyl}amino)- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)/C=C/c1ccc(cc1)C

STK540740
Synonyms: 3- [(2,2- diphenylethyl)amino]- 1- (4- ethylphenyl)pyrrolidine- 2,5- dione
Smiles: CCc1ccc(cc1)N1C(=O)CC(C1=O)NCC(c1ccccc1)c1ccccc1

STK540741
Synonyms: N'- [(E)- (4- ethoxy- 3- hydroxyphenyl)methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: CCOc1ccc(cc1O)/C=N/NC(=O)CSc1nnc(n1C)c1ccccc1

STK540742
Synonyms: 2,4- bis(methylsulfanyl)- 6- (propan- 2- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CSc1nc(SC)nc2c1c1CC(OCc1s2)C(C)C

STK540744
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- pyridin- 2- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccccn1

STK540745
Synonyms: N- {[2- (pyridin- 3- ylcarbonyl)hydrazinyl]carbonothioyl}benzamide
Smiles: S=C(NC(=O)c1ccccc1)NNC(=O)c1cccnc1

STK540746
Synonyms: N'- {(E)- [5- (4- chloro- 2- nitrophenyl)furan- 2- yl]methylidene}pyridine- 4- carbohydrazide
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/NC(=O)c1ccncc1

STK540747
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccccc1C

STK540748
Synonyms: methyl[(4- fluorophenyl)(hydroxy)methyl][(E)- 2- phenylethenyl]phosphinate
Smiles: COP(=O)(C(c1ccc(cc1)F)O)/C=C/c1ccccc1

STK540749
Synonyms: (2E)- 2- [(5- methylfuran- 2- yl)methylidene]- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)hydrazinecarboxamide
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)N/N=C/c1ccc(o1)C

STK540750
Synonyms: 1,3- dimethyl- 7- (4- methylbenzyl)- 8- [(2E)- 2- (3- nitrobenzylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C

STK540751
Synonyms: methyl3- {[2- (4- carbamoylpiperidin- 1- yl)propanoyl]amino}- 5- chloro- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCC(CC1)C(=O)N)C)cc(cc2)Cl

STK540752
Synonyms: ethyl2- ({[(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]carbamothioyl}amino)- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c(c2)OC)OC)sc(c1C)C

STK540753
Synonyms: 1- (benzylsulfanyl)- 4- (3- methylphenyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1cccc(c1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCc1ccccc1

STK540754
Synonyms: ethyl5- fluoro- 3- {[(4- fluorophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccc(cc1)F)cc(cc2)F

STK540756
Synonyms: (8R)- 6- amino- 8- (5- methylfuran- 2- yl)- 8,8a- dihydro- 1H- isochromene- 5,7,7(3H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H](C2C1=CCOC2)c1ccc(o1)C)(C#N)C#N

STK540757
Synonyms: N'- [(E)- (4- methylphenyl)methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccc(cc1)C

STK540758
Synonyms: 9- (2- methoxyphenyl)- 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: COc1ccccc1n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK540759
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (3- methoxy- 4- propoxyphenyl)methylidene]acetohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)Cn1nnnc1N

STK540761
Synonyms: (6aR,6bS,9aR,10S)- 10- [(3,4- dimethoxyphenyl)carbonyl]- 8- (4- methoxyphenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(c(c2)OC)OC)c2ccccc2C=C1

STK540762
Synonyms: 2- amino- 1'- (2- chlorobenzyl)- 7,7- dimethyl- 2',5- dioxo- 1',2',5,6,7,8- hexahydrospiro[chromene- 4,3'- indole]- 3- carbonitrile
Smiles: N#CC1=C(N)OC2=C(C31c1ccccc1N(C3=O)Cc1ccccc1Cl)C(=O)CC(C2)(C)C

STK540763
Synonyms: 1,1'- piperazine- 1,4- diylbis(2,2- diphenylethanone)
Smiles: O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1

STK540764
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (3- bromophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1cccc(c1)Br

STK540765
Synonyms: 3- {[(E)- (3,5- dichloro- 2- hydroxyphenyl)methylidene]amino}- 2- propylquinazolin- 4(3H)- one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Cl)cc(c1O)Cl

STK540766
Synonyms: 1- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 4- (3- methylphenyl)- 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: Cc1cccc(c1)n1c(=O)c2c3CC(OCc3sc2n2c1nnc2SCC(=O)c1ccc(cc1)Br)C(C)C

STK540767
Synonyms: methyl2- {[(2- amino- 1- phenyl- 1H- pyrrolo[2,3- b]quinoxalin- 3- yl)carbonyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccccc1

STK540768
Synonyms: 9- amino- 2,2- dimethyl- 5- phenyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: Nn1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1

STK540769
Synonyms: 1,3- dimethyl- 7- propyl- 8- [(2E)- 2- (pyridin- 3- ylmethylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(N/N=C/c2cccnc2)nc2c1c(=O)n(c(=O)n2C)C

STK540770
Synonyms: (1'R,3R,3'R)- 1'- acetyl- 3'- [(4- methoxyphenyl)carbonyl]- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3

STK540772
Synonyms: (5E)- 5- (4- hydroxy- 3- nitrobenzylidene)- 2- [4- (naphthalen- 1- yl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C/c1ccc(c(c1)[N+](=O)[O-])O)N1CCN(CC1)c1cccc2c1cccc2

STK540773
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- bromophenyl)carbonyl]- 3- chloro- 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=Cc2c1ccc(c2)Cl)C(=O)c1ccc(cc1)Br

STK540774
Synonyms: 7- [3- (4- bromophenoxy)- 2- hydroxypropyl]- 8- {(2E)- 2- [4- (dimethylamino)benzylidene]hydrazinyl}- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(N/N=C/c2ccc(cc2)N(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Br

STK540775
Synonyms: ethyl4- {2- amino- 3- [(furan- 2- ylmethyl)carbamoyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)NCc1ccco1

STK540776
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- (4- methoxyphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK540779
Synonyms: ethyl6- tert- butyl- 2- {[(3- methoxyphenyl)acetyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cc2cccc(c2)OC)sc2c1CCC(C2)C(C)(C)C

STK540782
Synonyms: 6,6- dimethyl- 3- (3- methylphenyl)- 2- (prop- 2- en- 1- ylsulfanyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C

STK540784
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- bromophenyl)carbonyl]- 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)c1ccc(cc1)Br

STK540785
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- bromophenyl)carbonyl]- 8- (naphthalen- 1- yl)- 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)c1cccc3c1cccc3)C=Cc1c2cccc1

STK540788
Synonyms: 2- (3,4- dimethoxyphenyl)- N'- [1- (4- methylphenyl)- 1H- pyrazolo[3,4- d]pyrimidin- 4- yl]acetohydrazide
Smiles: COc1cc(ccc1OC)CC(=O)NNc1ncnc2c1cnn2c1ccc(cc1)C

STK540789
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (4- methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1)C

STK540790
Synonyms: (5E)- 2- (4- acetylpiperazin- 1- yl)- 5- (4- hydroxy- 3- nitrobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CC(=O)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])O)/S1

STK540792
Synonyms: prop- 2- en- 1- ylN'- [(E)- (2- hydroxynaphthalen- 1- yl)methylidene]carbamohydrazonothioate
Smiles: C=CCS/C(=N\N=C\c1c(O)ccc2c1cccc2)/N

STK540794
Synonyms: 4- (3- methylphenyl)- 1- [(2- oxo- 2- phenylethyl)sulfanyl]- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1cccc(c1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCC(=O)c1ccccc1

STK540795
Synonyms: 2- (heptylsulfanyl)- 3- (3- methylphenyl)- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCCCCCCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCC3

STK540796
Synonyms: ethyl(3,3- dimethylbut- 1- yn- 1- yl)(1- hydroxy- 1- phenylethyl)phosphinate
Smiles: CCOP(=O)(C(c1ccccc1)(O)C)C#CC(C)(C)C

STK540797
Synonyms: (5E)- 2- [4- (4- chlorophenyl)piperazin- 1- yl]- 5- [2- (propan- 2- yloxy)benzylidene]- 1,3- thiazol- 4(5H)- one
Smiles: CC(Oc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)c1ccc(cc1)Cl)C

STK540798
Synonyms: 2- amino- 4- (2- butoxyphenyl)- 7- methyl- 5- oxo- 4H,5H- pyrano[4,3- b]pyran- 3- carbonitrile
Smiles: CCCCOc1ccccc1C1C(=C(N)Oc2c1c(=O)oc(c2)C)C#N

STK540799
Synonyms: 2- {[4- (3- methylphenyl)- 5- oxo- 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: NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)C(C)C

STK540800
Synonyms: (6aR,6bS,9aR,10S)- 8- (3,5- dichlorophenyl)- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1cc(Cl)cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)c2ccccc2C=C1

STK540803
Synonyms: N'- [(E)- (3,5- dibromo- 4- hydroxyphenyl)methylidene]- 2- phenylquinoline- 4- carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)c1ccccc1)N/N=C/c1cc(Br)c(c(c1)Br)O

STK540804
Synonyms: 4- (3- methylphenyl)- 1- [(2- oxo- 2- phenylethyl)sulfanyl]- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1cccc(c1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)c1ccccc1

STK540805
Synonyms: 3- (furan- 2- ylmethyl)- 2- [(4- methylbenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK540806
Synonyms: 8,8- dimethyl- 11- phenyl- 7,10- dihydro- 8H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(nc2c2ccccc2)sc2c1ncn1c2ncn1

STK540807
Synonyms: 2- {[5- (2- methylpropyl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}- 1- (piperidin- 1- yl)ethanone
Smiles: CC(Cc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)N1CCCCC1)C

STK540809
Synonyms: 2- [(4- methylphenoxy)methyl]- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)sc2c1CCC2

STK540810
Synonyms: N'- [(E)- (2,4- dimethoxyphenyl)methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)Cn1cncn1

STK540811
Synonyms: 6- amino- 4- (2- methoxyphenyl)- 3- {[(4- methylphenyl)sulfanyl]methyl}- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1OC)c(CSc1ccc(cc1)C)[nH]n2

STK540812
Synonyms: N- methyl- N- octadecylimidodicarbonimidicdiamide
Smiles: CCCCCCCCCCCCCCCCCCN(C(=N)NC(=N)N)C

STK540814
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- anthracen- 9- ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1c2ccccc2cc2c1cccc2

STK540815
Synonyms: 8- (4- bromophenyl)- 7- (4- methoxyphenyl)- 1,3- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COc1ccc(cc1)c1cn2c(n1c1ccc(cc1)Br)nc1c2c(=O)n(C)c(=O)n1C

STK540816
Synonyms: ethyl5- fluoro- 3- [(phenoxycarbonyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Oc1ccccc1)cc(cc2)F

STK540817
Synonyms: ethyl6,7- difluoro- 4- oxo- 1- (prop- 2- en- 1- yl)- 1,4- dihydroquinoline- 3- carboxylate
Smiles: C=CCn1cc(C(=O)OCC)c(=O)c2c1cc(F)c(c2)F

STK540818
Synonyms: 5- (4- butoxy- 3- methoxyphenyl)- 7,9- dichloro- 2- (3,4- dimethoxyphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: CCCCOc1ccc(cc1OC)C1Oc2c(Cl)cc(cc2C2N1N=C(C2)c1ccc(c(c1)OC)OC)Cl

STK540819
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(Z)- (3- phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C\c1cccc(c1)Oc1ccccc1

STK540820
Synonyms: 2- cyclopropyl- N'- [(E)- (2,4- dichlorophenyl)methylidene]quinoline- 4- carbohydrazide
Smiles: Clc1ccc(c(c1)Cl)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK540821
Synonyms: (1'R,3R,3'R)- 1'- [(4- methoxyphenyl)carbonyl]- 3'- (phenylcarbonyl)- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1

STK540822
Synonyms: N'- [(E)- pyridin- 3- ylmethylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccnc1

STK540823
Synonyms: N- [4- (1,3- dioxo- 2,3- dihydro- 1H- inden- 2- yl)phenyl]hexanamide
Smiles: CCCCCC(=O)Nc1ccc(cc1)C1C(=O)c2c(C1=O)cccc2

STK540824
Synonyms: 8- (butylamino)- 3- methyl- 7- (3- phenylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCNc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C

STK540825
Synonyms: methyl(1R,2S,3R,8aS)- 6- acetyl- 3- carbamoyl- 1- cyano- 2- (2,3- dichlorophenyl)- 1,2,3,8a- tetrahydroindolizine- 1- carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cccc(c1Cl)Cl)C(=O)N)C(=O)C

STK540826
Synonyms: methyl5- chloro- 3- {[2- (4- phenylpiperazin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1ccccc1)C)cc(cc2)Cl

STK540827
Synonyms: 6,6- dimethyl- 3- (3- methylphenyl)- 2- [(2- phenylethyl)sulfanyl]- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1cccc(c1)n1c(SCCc2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK540828
Synonyms: (2E)- N- (2,4- dichlorophenyl)- 2- (2- hydroxy- 5- nitrobenzylidene)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK540829
Synonyms: 8- (benzylsulfanyl)- 2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCc1ccccc1)C

STK540830
Synonyms: 2- {[3- (4- benzylpiperazin- 1- yl)quinoxalin- 2- yl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2N2CCN(CC2)Cc2ccccc2)sc2c1CCCC2

STK540831
Synonyms: 2- [(4,5- diphenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N'- {(E)- [3- methoxy- 4- (propan- 2- yloxy)phenyl]methylidene}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccccc2)c2ccccc2)ccc1OC(C)C

STK540832
Synonyms: (8R,8aR)- 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=CCNC2)c1cc(OC)ccc1OC)(C#N)C#N

STK540833
Synonyms: methyl2- {[4- (4- methoxyphenyl)- 5- oxo- 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}propanoate
Smiles: COC(=O)C(Sc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CC(OC3)C(C)C)C

STK540834
Synonyms: 8- [(2E)- 2- (3- hydroxybenzylidene)hydrazinyl]- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(N/N=C/c2cccc(c2)O)nc2c1c(=O)n(c(=O)n2C)C

STK540835
Synonyms: 1,3- dimethyl- 8- (4- methylpiperazin- 1- yl)- 7- (propan- 2- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN1CCN(CC1)c1nc2c(n1C(C)C)c(=O)n(c(=O)n2C)C

STK540836
Synonyms: 9- chloro- 2- (4- ethoxyphenyl)- 5- (thiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: CCOc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OC2c1cccs1

STK540838
Synonyms: N,N- dibenzyl- 1,1,1,3,3,4,4,6,6,7,7,9,9,10,10,12,12- heptadecafluoro- 2,5,8,11- tetraoxatridecan- 13- amide
Smiles: O=C(C(OC(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N(Cc1ccccc1)Cc1ccccc1

STK540839
Synonyms: methyl(1R,2S,3R,8aS)- 6- acetyl- 3- carbamoyl- 1- cyano- 2- (2- fluorophenyl)- 1,2,3,8a- tetrahydroindolizine- 1- carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccccc1F)C(=O)N)C(=O)C

STK540840
Synonyms: ethyl2- ({(2E)- 2- cyano- 3- [5- (3,4- 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)c2ccc(c(c2)Cl)Cl)/C#N)sc2c1CCCC2

STK540842
Synonyms: 3- (furan- 2- yl)- 1- (morpholin- 4- yl)- 3- phenylpropan- 1- one
Smiles: O=C(N1CCOCC1)CC(c1ccco1)c1ccccc1

STK540843
Synonyms: methyl5- methyl- 3- {[(3- methylphenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C)cc(cc2)C

STK540844
Synonyms: 3- amino- 6- (3- methoxyphenyl)- N- (4- methylbenzyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)NCc1ccc(cc1)C

STK540845
Synonyms: (8R,8aS,11aR,11bR)- 8- [(4- bromophenyl)carbonyl]- 10- [3- (trifluoromethyl)phenyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)cccc3

STK540846
Synonyms: (6aR,6bS,9aR,10S)- 8- (4- bromophenyl)- 10- [(4- bromophenyl)carbonyl]- 2- chloro- 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]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1cc(Cl)ccc1C=C2)c1ccc(cc1)Br

STK499801
Synonyms:
Smiles: O=C(N1CCN(CC1)Cc1nc2c(n1C)ccc(c2)[N](=O)[O-])Nc1ccccc1

STK531386
Synonyms: N- benzyl- 2- (4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)hydrazinecarbothioamide
Smiles: S=C(NNc1[nH]c(=O)c2c(n1)c1ccccc1CC12CCCCC1)NCc1ccccc1

STK531478
Synonyms: N- cyclohexyl- 2- (4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)hydrazinecarbothioamide
Smiles: S=C(NC1CCCCC1)NNc1nc2c3ccccc3CC3(c2c(=O)[nH]1)CCCC3

STK540847
Synonyms: (1'R,3R,3'R,3a'S)- 1'- [(4- bromophenyl)carbonyl]- 3'- (phenylcarbonyl)- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=C[C@H]2[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1

STK540848
Synonyms: 2- methyl- N'- [(E)- (3,4,5- trimethoxyphenyl)methylidene]quinoline- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cc(C)nc3c2cccc3)cc(c1OC)OC

STK540849
Synonyms: (6aR,6bS,9aR,10S)- 8- (4- methylphenyl)- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- benzo[f]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]1N([C@@H]2C(=O)c2ccccc2)c2ccc3c(c2C=C1)cccc3

STK540850
Synonyms: 2- {[3- (2- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: COc1ccccc1n1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK540851
Synonyms: (1Z)- N- {[8,9- bis(4- methoxyphenyl)furo[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]methoxy}- 1- (thiophen- 2- yl)ethanimine
Smiles: COc1ccc(cc1)c1c(oc2c1c1nc(nn1cn2)CO/N=C(\c1cccs1)/C)c1ccc(cc1)OC

STK540852
Synonyms: 8- {[2- (dimethylamino)ethyl]amino}- 7- [3- (4- ethylphenoxy)- 2- hydroxypropyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCc1ccc(cc1)OCC(Cn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C)O

STK540854
Synonyms: ethyl3- [(2- bromohexanoyl)amino]- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCCCC(C(=O)Nc1c([nH]c2c1cc(OC)cc2)C(=O)OCC)Br

STK540855
Synonyms: 7- benzyl- 3- cyclohexyl- 2- hydrazinyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C3)Cc1ccccc1

STK540856
Synonyms: 11- cyclohexyl- 3- (furan- 2- ylmethyl)- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1nc2c(c(=O)n1Cc1ccco1)c1c(n2C2CCCCC2)nc2c(n1)cccc2

STK540858
Synonyms: 2- chloro- N- (4,6- dimethyl- 2- oxo- 1,2- dihydroquinolin- 7- yl)acetamide
Smiles: Cc1cc2c(C)cc(=O)[nH]c2cc1NC(=O)CCl

STK540860
Synonyms: 8- [(2E)- 2- (4- bromobenzylidene)hydrazinyl]- 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(N/N=C/c2ccc(cc2)Br)nc2c1c(=O)n(c(=O)n2C)C)COc1ccccc1C

STK540861
Synonyms: 4- (4- methoxyphenyl)- 1- {[1- (morpholin- 4- yl)- 1- oxopropan- 2- yl]sulfanyl}- 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)n1c2nnc(n2c2c(c1=O)c1CC(OCc1s2)C(C)C)SC(C(=O)N1CCOCC1)C

STK540862
Synonyms: 8- [(2E)- 2- (2- hydroxybenzylidene)hydrazinyl]- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(N/N=C/c2ccccc2O)nc2c1c(=O)n(c(=O)n2C)C

STK540863
Synonyms: 3- amino- N- (3- bromophenyl)- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1cccc(c1)Br

STK540866
Synonyms: (6aR,6bS,9aR,10S)- 10- [(3,4- dimethoxyphenyl)carbonyl]- 8- (naphthalen- 1- yl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc3c1cccc3)C=Cc1c2cccc1

STK540869
Synonyms: 6- amino- 4- (2,3- dimethoxyphenyl)- 3- methyl- 1- (4- methylphenyl)- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1OC)OC)c(C)nn2c1ccc(cc1)C

STK540870
Synonyms: 2- [4- (diphenylmethyl)piperazin- 1- yl]- 1- (8- methyl- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: Cc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

STK540871
Synonyms: N'- {(E)- [3- methoxy- 4- (propan- 2- yloxy)phenyl]methylidene}- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2ccccn2)ccc1OC(C)C

STK540872
Synonyms: 4- {[(3- cyano- 4- phenyl- 6,7- dihydro- 5H- cyclopenta[b]pyridin- 2- yl)sulfanyl]methyl}benzoicacid
Smiles: N#Cc1c(SCc2ccc(cc2)C(=O)O)nc2c(c1c1ccccc1)CCC2

STK540873
Synonyms: 2,5- dimethylpyrazolo[1',5':3,4][1,3,5]triazino[1,2- a]benzimidazole
Smiles: Cc1nn2c(c1)nc(n1c2nc2c1cccc2)C

STK540874
Synonyms: (5E)- 5- (4- tert- butylbenzylidene)- 2- (4- phenylpiperazin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C/c1ccc(cc1)C(C)(C)C)N1CCN(CC1)c1ccccc1

STK540875
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- bromophenyl)carbonyl]- 2- chloro- 8- (4- fluorophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc2c(c1)N1[C@H](C=C2)[C@@H]2[C@H]([C@H]1C(=O)c1ccc(cc1)Br)C(=O)N(C2=O)c1ccc(cc1)F

STK540876
Synonyms: 2- (2- bromophenyl)- 3- (3- methylphenyl)quinazolin- 4(3H)- one
Smiles: Cc1cccc(c1)n1c(nc2c(c1=O)cccc2)c1ccccc1Br

STK540877
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- {2- [(4- nitrobenzyl)oxy]phenyl}methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1ccccc1OCc1ccc(cc1)[N+](=O)[O-]

STK540878
Synonyms: 7- hydroxy- 9- (4- methoxyphenyl)- 1,3- dimethyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: COc1ccc(cc1)N1CC(O)Cn2c1nc1c2c(=O)n(c(=O)n1C)C

STK540879
Synonyms: 11- (2- methoxyphenyl)- 10- methyl- N- (3- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C)c1ccccc1

STK540880
Synonyms: N'- [(E)- (3- nitrophenyl)methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccc(c1)[N+](=O)[O-]

STK540881
Synonyms: N'- [(E)- (3- nitrophenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cccc(c1)[N+](=O)[O-]

STK540882
Synonyms: 2- {[3- (4- 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)n1c1ccc(cc1)C)CCCCC3

STK540883
Synonyms: (5E)- 2- [4- (3- chloro- 4- methylphenyl)piperazin- 1- yl]- 5- [4- (diethylamino)benzylidene]- 1,3- thiazol- 4(5H)- one
Smiles: CCN(c1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCN(CC1)c1ccc(c(c1)Cl)C)CC

STK540884
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(E)- [4- (propan- 2- yl)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1)C(C)C

STK540885
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- thiophen- 2- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1cccs1

STK540886
Synonyms: N'- [(E)- 1,3- benzodioxol- 5- ylmethylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1ccc2c(c1)OCO2

STK540887
Synonyms: 2- heptyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCCCCCCc1nc2sc3c(c2c(=O)[nH]1)CCCC3

STK540888
Synonyms: (3aR,9bS)- 2- (4- methylphenyl)- 4,8- bis(phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N(C2C(=O)c2ccccc2)C=CC(=C1)C(=O)c1ccccc1

STK540889
Synonyms: 3,5- bis(methylsulfanyl)- 10- (propan- 2- yl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nnc2n1c(SC)nc1c2c2CC(OCc2s1)C(C)C

STK540891
Synonyms: N'- [(E)- (2- hydroxy- 5- nitrophenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK540893
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- (2,4- dihydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccc(cc1O)O

STK540895
Synonyms: 8- [(2E)- 2- (4- bromobenzylidene)hydrazinyl]- 1,3- dimethyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)Br)nc2c1c(=O)n(c(=O)n2C)C

STK540896
Synonyms: N'- [(E)- (2- chlorophenyl)methylidene]- 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccccc1Cl

STK540897
Synonyms: 8- {(2E)- 2- [1- (4- methoxyphenyl)ethylidene]hydrazinyl}- 1,3- dimethyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)/C(=N/Nc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C)/C

STK540898
Synonyms: 6- amino- 1- (3- chlorophenyl)- 4- (4- fluorophenyl)- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)F)c(C)nn2c1cccc(c1)Cl

STK540900
Synonyms: 4- (3- methylphenyl)- 1- (prop- 2- en- 1- ylsulfanyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: C=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCCC3

STK540902
Synonyms: 4- [1',4'- diphenyl- 5- (thiophen- 2- yl)- 4,5- dihydro- 1H,1'H- 3,3'- bipyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1cccs1)c1nn(cc1c1ccccc1)c1ccccc1

STK540905
Synonyms: 7- [(3- methoxypropyl)amino]- 3- methyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: COCCCNc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1

STK540907
Synonyms: 2- imino- 1- (4- methoxybenzyl)- 10- methyl- 5- oxo- N- (2- phenylethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COc1ccc(cc1)Cn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCCc1ccccc1

STK540908
Synonyms: 3- (4- methoxyphenyl)- 6- (propan- 2- yl)- 2- (propan- 2- ylsulfanyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: COc1ccc(cc1)n1c(SC(C)C)nc2c(c1=O)c1CC(OCc1s2)C(C)C

STK540909
Synonyms: N'- [(1Z)- 1- (4- bromophenyl)ethylidene]- 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C(\c1ccc(cc1)Br)/C

STK540910
Synonyms: N'- [(E)- (4- methylphenyl)methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1ncnc1)N/N=C/c1ccc(cc1)C

STK540911
Synonyms: 4,4'- methanediylbis{2- chloro- N- [(E)- (4- methoxyphenyl)methylidene]aniline}
Smiles: COc1ccc(cc1)/C=N/c1ccc(cc1Cl)Cc1ccc(c(c1)Cl)/N=C/c1ccc(cc1)OC

STK540912
Synonyms: 8- benzyl- 9- (heptylsulfanyl)- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: CCCCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1c3cccc1

STK540913
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 8- methyl- 4- oxo- 2- (propan- 2- yl)- 4H- chromen- 7- yl4- fluorobenzoate
Smiles: Fc1ccc(cc1)C(=O)Oc1ccc2c(c1C)oc(c(c2=O)c1nc2c(s1)cccc2)C(C)C

STK540914
Synonyms: methyl2- ({[2- amino- 1- (3- chlorobenzyl)- 1H- pyrrolo[2,3- b]quinoxalin- 3- yl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1cccc(c1)Cl

STK540915
Synonyms: 3- amino- N- (4- methoxy- 2- methylphenyl)- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccc(c(c1)C)NC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC

STK540916
Synonyms: 2,4- dichloro- 6- methoxyquinoline
Smiles: COc1ccc2c(c1)c(Cl)cc(n2)Cl

STK540918
Synonyms: 1- ethyl- 4- hydroxy- N- {2- [(2- hydroxyethyl)amino]ethyl}- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: OCCNCCNC(=O)c1c(O)c2ccccc2n(c1=O)CC

STK540921
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- phenylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccccc1

STK540922
Synonyms: N- benzyl- 2- {[3- (4- 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}propanamide
Smiles: O=C(C(Sc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(OC3)C(C)C)C)NCc1ccccc1

STK540923
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- bromophenyl)carbonyl]- 3- chloro- 8- (4- methoxyphenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1ccc(c2)Cl)C(=O)c1ccc(cc1)Br

STK540924
Synonyms: 2- [(2- bromoprop- 2- en- 1- yl)sulfanyl]- 3- (3- methylphenyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: BrC(=C)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C

STK540925
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccccc1O

STK540927
Synonyms: 8- [(2- bromoprop- 2- en- 1- yl)sulfanyl]- 5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=C)Br

STK540929
Synonyms: (8R,8aS,11aR,11bR)- 8- [(4- bromophenyl)carbonyl]- 10- (4- methoxyphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)Br)C=Cc2c1cccc2

STK540930
Synonyms: methyl3- {[(2- nitrophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1[N+](=O)[O-])cccc2

STK540931
Synonyms: N'- [(E)- (4- methoxyphenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)CSc1ccccn1

STK540932
Synonyms: 3- (methylsulfanyl)- 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: CSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)C(C)C

STK540933
Synonyms: 7- dodecyl- 8- [(4- fluorobenzyl)sulfanyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCCCCCn1c(SCc2ccc(cc2)F)nc2c1c(=O)[nH]c(=O)n2C

STK540934
Synonyms: 2- {[5- (methylsulfanyl)- 10- (propan- 2- yl)- 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: CSc1nc2sc3c(c2c2n1c(SCC(=O)N)nn2)CC(OC3)C(C)C

STK540935
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- bromophenyl)carbonyl]- 2- chloro- 8- (4- methylphenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc2c(c1)N1[C@H](C=C2)[C@@H]2[C@H]([C@H]1C(=O)c1ccc(cc1)Br)C(=O)N(C2=O)c1ccc(cc1)C

STK540936
Synonyms: 1- ethyl- 6- fluoro- 4- oxo- 7- [4- (undec- 10- enoyl)piperazin- 1- yl]- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: C=CCCCCCCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK540938
Synonyms: 3- cyclohexyl- 2- ethyl- 11- (2- methoxybenzyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCc1nc2n(Cc3ccccc3OC)c3c(c2c(=O)n1C1CCCCC1)nc1c(n3)cccc1

STK540939
Synonyms: N'- [(E)- {2- [(4- chlorobenzyl)oxy]phenyl}methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccccc1OCc1ccc(cc1)Cl

STK540940
Synonyms: N'- [(E)- (3,5- dibromo- 4- hydroxyphenyl)methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1cc(Br)c(c(c1)Br)O

STK540941
Synonyms: 8- {[2- (diethylamino)ethyl]amino}- 1,3- dimethyl- 7- (3- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(CCNc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C)CC

STK540942
Synonyms: (9E)- 9- (4- bromobenzylidene)- 5- (4- bromophenyl)- 3- (4- chlorophenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: Brc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)Cl)/C(=C/c1ccc(cc1)Br)/CCC2

STK540943
Synonyms: methyl3- [(3- cyclopentylpropanoyl)amino]- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCC1CCCC1)cc(c(c2)OC)OC

STK540944
Synonyms: N- (4- methoxyphenyl)- 2- {[3- (2- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK540945
Synonyms: ethyl6- amino- 5- cyano- 4- (2,3- dichlorophenyl)- 2- {[(4- methylphenyl)sulfanyl]methyl}- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CSc2ccc(cc2)C)OC(=C(C1c1cccc(c1Cl)Cl)C#N)N

STK540947
Synonyms: 3- amino- N- [2- (4- fluorophenyl)ethyl]- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)NCCc1ccc(cc1)F

STK540948
Synonyms: methyl5- bromo- 1- [2- (4- fluorophenyl)ethyl]- 6- oxo- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cn(CCc2ccc(cc2)F)c(=O)c(c1)Br

STK540949
Synonyms: 2,2- difluoro- 2- (2,3,3,4,4,5,5- heptafluorotetrahydrofuran- 2- yl)- N- [4- (6- methyl- 1,3- benzothiazol- 2- yl)phenyl]acetamide
Smiles: Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC(=O)C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F

STK540955
Synonyms: 2- {2- methoxy- 4- [(E)- {2- [(pyridin- 2- ylsulfanyl)acetyl]hydrazinylidene}methyl]phenoxy}acetamide
Smiles: COc1cc(/C=N/NC(=O)CSc2ccccn2)ccc1OCC(=O)N

STK540957
Synonyms: methyl5- bromo- 3- {[(3,4,5- trimethoxyphenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cc(OC)c(c(c1)OC)OC)cc(cc2)Br

STK540958
Synonyms: N- (4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)- N'- (2- methylpropyl)ethanediamide
Smiles: CC(CNC(=O)C(=O)Nc1c(=O)[nH]c2c(c1O)cccc2)C

STK540959
Synonyms: 2- (3- methoxyphenyl)- 4- (propan- 2- yloxy)quinazoline
Smiles: COc1cccc(c1)c1nc(OC(C)C)c2c(n1)cccc2

STK540960
Synonyms: 7- (4- bromophenyl)- 8- [4- (hexyloxy)phenyl]- 1,3- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: CCCCCCOc1ccc(cc1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1)Br

STK540961
Synonyms: 2- cyclopropyl- N'- [(E)- {4- [(3,4- dichlorobenzyl)oxy]- 3- methoxyphenyl}methylidene]quinoline- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cc(nc3c2cccc3)C2CC2)ccc1OCc1ccc(c(c1)Cl)Cl

STK540962
Synonyms: ethyl5,5- dimethyl- 2- (octanoylamino)- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(OC2)(C)C

STK540963
Synonyms: N'- [(E)- (3- bromophenyl)methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1cccc(c1)Br

STK540964
Synonyms: ethyl2- amino- 1- (3- {[(4- chlorophenyl)carbonyl]oxy}propyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCCOC(=O)c1ccc(cc1)Cl

STK540965
Synonyms: 2- {[3- (2- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: COc1ccccc1n1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK540967
Synonyms: 2- methyl- N'- [(E)- naphthalen- 1- ylmethylidene]quinoline- 4- carbohydrazide
Smiles: Cc1nc2ccccc2c(c1)C(=O)N/N=C/c1cccc2c1cccc2

STK540969
Synonyms: methyl2- ({[2- amino- 1- (3,4- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxalin- 3- yl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)C)C

STK540970
Synonyms: N- [2- (ethylamino)ethyl]- 6- hydroxy- 4- oxo- 1,2- dihydro- 4H- pyrrolo[3,2,1- ij]quinoline- 5- carboxamide
Smiles: CCNCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CC3

STK540971
Synonyms: 2- {[4,6- bis(dodecyloxy)- 1,3,5- triazin- 2- yl]amino}ethanol
Smiles: OCCNc1nc(OCCCCCCCCCCCC)nc(n1)OCCCCCCCCCCCC

STK540972
Synonyms: 3- (4- bromophenyl)- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}- 4- oxo- 3,4- dihydroquinazoline- 2- carbohydrazide
Smiles: Brc1ccc(cc1)n1c(nc2c(c1=O)cccc2)C(=O)N/N=C/c1ccc(cc1)N(C)C

STK540973
Synonyms: ethyl(8R,8aR)- 6- amino- 5,7,7- tricyano- 8- (2- ethoxyphenyl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccccc1OCC)C(C(=C2C#N)N)(C#N)C#N

STK540974
Synonyms: ethyl2- (cyanoamino)- 4- (4- hydroxyphenyl)- 5,6- dimethyl- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(NC#N)OC(=C(C1c1ccc(cc1)O)C)C

STK540975
Synonyms: 1- heptyl- 2- hydroxy- 4- imino- N'- [(E)- pyridin- 4- ylmethylidene]- 1,4- dihydroquinoline- 3- carbohydrazide
Smiles: CCCCCCCn1c(O)c(C(=O)N/N=C/c2ccncc2)c(=N)c2c1cccc2

STK540976
Synonyms: 3- methyl- 8- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 7- octyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCn1c(SCC(=C)C)nc2c1c(=O)[nH]c(=O)n2C

STK540979
Synonyms: 2- {(E)- [2- (4,6- dimethylpyrimidin- 2- yl)hydrazinylidene]methyl}- 6- (prop- 2- en- 1- yl)phenol
Smiles: C=CCc1cccc(c1O)/C=N/Nc1nc(C)cc(n1)C

STK540980
Synonyms: 2,2- difluoro- 2- (2,3,3,4,4,5,5- heptafluorotetrahydrofuran- 2- yl)- N- (4- nitrophenyl)acetamide
Smiles: [O-][N+](=O)c1ccc(cc1)NC(=O)C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F

STK540981
Synonyms: 3- {[(E)- (3,4- dihydroxyphenyl)methylidene]amino}- 2- (phenoxymethyl)quinazolin- 4(3H)- one
Smiles: Oc1ccc(cc1O)/C=N/n1c(COc2ccccc2)nc2c(c1=O)cccc2

STK540982
Synonyms: 8,8- dimethyl- 4- (prop- 2- en- 1- yloxy)- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: C=CCOc1ncnc2c1sc1c2cc2c(n1)CC(OC2)(C)C

STK540983
Synonyms: N'- [(E)- {2- [(3- bromobenzyl)oxy]phenyl}methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccccc1OCc1cccc(c1)Br

STK540984
Synonyms: (9E)- 9- [4- (difluoromethoxy)benzylidene]- 5- [4- (difluoromethoxy)phenyl]- 3- (4- methoxyphenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: COc1ccc(cc1)c1csc2=NC3=C(C(n12)c1ccc(cc1)OC(F)F)CCC/C/3=C\c1ccc(cc1)OC(F)F

STK540985
Synonyms: 8- [(2E)- 2- (5- bromo- 2- hydroxybenzylidene)hydrazinyl]- 7- (4- fluorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/c2cc(Br)ccc2O)nc2c1c(=O)n(c(=O)n2C)C

STK540986
Synonyms: 2- (2- bromophenyl)- 3- (4- bromophenyl)quinazolin- 4(3H)- one
Smiles: Brc1ccc(cc1)n1c(nc2c(c1=O)cccc2)c1ccccc1Br

STK540988
Synonyms: 2- phenoxy- N- [(1- phenylcyclopentyl)methyl]acetamide
Smiles: O=C(NCC1(CCCC1)c1ccccc1)COc1ccccc1

STK540989
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (prop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: C=CCn1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK540990
Synonyms: N'- [(E)- (4- ethoxy- 3- hydroxyphenyl)methylidene]- 2- phenylquinoline- 4- carbohydrazide
Smiles: CCOc1ccc(cc1O)/C=N/NC(=O)c1cc(nc2c1cccc2)c1ccccc1

STK540991
Synonyms: 3- (furan- 2- ylmethyl)- 2- methyl- 11- (4- methylphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)Cc1ccco1

STK540994
Synonyms: 2- ethyl- 11- (3- methoxyphenyl)- 3- (1- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1cccc(c1)n1c2nc(CC)n(c(=O)c2c2c1nc1ccccc1n2)C(c1ccccc1)C

STK540995
Synonyms: (9E)- 3- (4- chlorophenyl)- 9- (2,4- dichlorobenzylidene)- 5- (2,4- dichlorophenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: Clc1ccc(cc1)c1csc2=NC3=C(C(n12)c1ccc(cc1Cl)Cl)CCC/C/3=C\c1ccc(cc1Cl)Cl

STK540996
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3- methoxy- 4- propoxyphenyl)methylidene]acetohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Cl

STK540998
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 8- phenyl- 1,4,9,10,11,12- hexahydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- b]quinoline
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1nc1CCCCc1c2c1ccccc1

STK540999
Synonyms: 6- chloro- 2- methyl- 3- [(3- methylpiperidin- 1- yl)methyl]quinolin- 4- ol
Smiles: CC1CCCN(C1)Cc1c(C)nc2c(c1O)cc(cc2)Cl

STK541001
Synonyms: 6- (morpholin- 4- ylcarbonyl)pyridazin- 3(2H)- one
Smiles: O=C(c1ccc(=O)[nH]n1)N1CCOCC1

STK541002
Synonyms: methyl2- ({[2- amino- 1- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 3- yl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK541003
Synonyms: 1- ethyl- 6- fluoro- 7- [4- (furan- 2- ylcarbonyl)piperazin- 1- yl]- 4- oxo- N- (pyridin- 2- ylmethyl)- 1,4- dihydroquinoline- 3- carboxamide
Smiles: CCn1cc(C(=O)NCc2ccccn2)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccco1)c(c2)F

STK541004
Synonyms: 4- {[(pyridin- 3- ylcarbonyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(NC(=O)c1cccnc1)Nc1ccc(cc1)C(=O)O

STK541005
Synonyms: 3- (4- methylphenyl)- 2- {[1- oxo- 1- (piperidin- 1- yl)propan- 2- yl]sulfanyl}- 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)c1ccc(cc1)C)SC(C(=O)N1CCCCC1)C)C

STK541007
Synonyms: N'- [(E)- (4- hydroxyphenyl)methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1ncnc1)N/N=C/c1ccc(cc1)O

STK541008
Synonyms: 3- amino- N- [2- (4- chlorophenyl)ethyl]- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)NCCc1ccc(cc1)Cl

STK541010
Synonyms: N'- (2,2- dimethylpropanoyl)- 2,2- diphenylcyclopropanecarbohydrazide
Smiles: O=C(C1CC1(c1ccccc1)c1ccccc1)NNC(=O)C(C)(C)C

STK541011
Synonyms: (2E)- N- (2,4- dichlorophenyl)- 2- [(5- methylfuran- 2- yl)methylidene]hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1ccc(o1)C

STK541012
Synonyms: 2- [(2E)- 2- {2- [(4- bromobenzyl)oxy]benzylidene}hydrazinyl]- 4,6- dimethylpyrimidine
Smiles: Brc1ccc(cc1)COc1ccccc1/C=N/Nc1nc(C)cc(n1)C

STK541013
Synonyms: 2- [(4- oxo- 3- phenyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK541014
Synonyms: 8- [(4- chlorobenzyl)sulfanyl]- 1,3- dimethyl- 7- pentyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)n(c(=O)n2C)C

STK541015
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(1E)- 1- (2,4- dimethoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)Cn1nnnc1N)/C

STK541016
Synonyms: N- (2- bromo- 4- methylphenyl)- 2,2,3,3,4,4,5,5,6,6,7,7,7- tridecafluoroheptanamide
Smiles: Cc1ccc(c(c1)Br)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

STK541017
Synonyms: 2- {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK541019
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nnnc2N)ccc1O

STK541022
Synonyms: N'- [(E)- (3- bromo- 4- hydroxy- 5- methoxyphenyl)methylidene]- 2- cyclopropylquinoline- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cc(nc3c2cccc3)C2CC2)cc(c1O)Br

STK541026
Synonyms: methyl2- {[4- (3- methylphenyl)- 5- oxo- 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}propanoate
Smiles: COC(=O)C(Sc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)C(C)C)C

STK541027
Synonyms: 2- {[3- (4- methylpiperazin- 1- yl)quinoxalin- 2- yl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2N2CCN(CC2)C)sc2c1CCCC2

STK541028
Synonyms: 2- (4- chlorophenyl)- 5- [3- methoxy- 4- (prop- 2- en- 1- yloxy)phenyl]- 9- nitro- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: C=CCOc1ccc(cc1OC)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)Cl)[N+](=O)[O-]

STK541029
Synonyms: 3- (8- bromo- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)propanoicacid
Smiles: OC(=O)CCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

STK541030
Synonyms: ethyl(2- bromo- 1- hydroxy- 1- phenylethyl)(3,3- dimethylbut- 1- yn- 1- yl)phosphinate
Smiles: BrCC(P(=O)(C#CC(C)(C)C)OCC)(c1ccccc1)O

STK541031
Synonyms: 8- [(2- chloro- 6- fluorobenzyl)sulfanyl]- 7- hexyl- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

STK541032
Synonyms: 2- (4- {[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}butyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: Cc1cccc(c1)n1c(SCCCCN2C(=O)c3c(C2=O)cccc3)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK541033
Synonyms: [(1,3- dimethyl- 2',6'- dinitro- 1H,4'H- spiro[cyclohepta[d]imidazol- 1- ium- 2,1'- cyclohexa[2,5]dien]- 4'- ylidene)(oxido)- lambda~5~- azanyl]oxidanide
Smiles: [O-][N+](=C1C=C([N+](=O)[O-])C2(C(=C1)[N+](=O)[O-])N(C)C1=CC=CC=CC1=[N+]2C)[O-]

STK541035
Synonyms: N'- [(E)- (3- bromo- 4- hydroxy- 5- methoxyphenyl)methylidene]- 2- methylquinoline- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cc(C)nc3c2cccc3)cc(c1O)Br

STK541036
Synonyms: (1S,2S,3aR)- 7- chloro- 2- (4- fluorophenyl)- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2ccc(cc2)F)[C@H](N2[C@@H]1C=Cc1c2ccc(c1)Cl)C(=O)C12CC3CC(C2)CC(C1)C3

STK541037
Synonyms: ethyl(1R,3S,3aS)- 1- [(4- bromophenyl)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)Br

STK541040
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Cl

STK541041
Synonyms: N'- {(E)- [2- hydroxy- 3- (prop- 2- en- 1- yl)phenyl]methylidene}- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: Oc1c(/C=N/NC(=O)Cn2cncn2)cccc1CC=C

STK541042
Synonyms: ethyl(pentafluorophenyl)(2,2,2- trichloro- 1- hydroxyethyl)phosphinate
Smiles: CCOP(=O)(c1c(F)c(F)c(c(c1F)F)F)C(C(Cl)(Cl)Cl)O

STK541043
Synonyms: 2- (3,4- dihydroisoquinolin- 2(1H)- yl)- 1- (2,6- dimethyl- 1H- indol- 3- yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCc2c(C1)cccc2)C

STK541044
Synonyms: (6aR,6bS,9aR,10S)- 10- [(3,4- dimethoxyphenyl)carbonyl]- 8- (2- methyl- 5- nitrophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cc(ccc1C)[N+](=O)[O-])C=Cc1c2cccc1

STK541045
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2,4- dichlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(cc1Cl)Cl

STK541046
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- (4- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK541047
Synonyms: (2E)- N- (2,4- dichlorophenyl)- 2- (4- hydroxy- 3- methoxybenzylidene)hydrazinecarbothioamide
Smiles: COc1cc(/C=N/NC(=S)Nc2ccc(cc2Cl)Cl)ccc1O

STK541048
Synonyms: 2- {3- [2- (3,4- dimethoxyphenyl)ethyl]- 1- [4- (dimethylamino)phenyl]- 5- oxo- 2- thioxoimidazolidin- 4- yl}- N- (4- propoxyphenyl)acetamide
Smiles: CCCOc1ccc(cc1)NC(=O)CC1N(CCc2ccc(c(c2)OC)OC)C(=S)N(C1=O)c1ccc(cc1)N(C)C

STK541049
Synonyms: 8- butoxy- 5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCCCOc1ncnc2c1sc1c2c2CCCCc2c(n1)CCC

STK541050
Synonyms: 1,3- dimethyl- 8- [(4- methylbenzyl)sulfanyl]- 7- (3- methylbutyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(CCn1c(SCc2ccc(cc2)C)nc2c1c(=O)n(c(=O)n2C)C)C

STK541053
Synonyms: ethyl(8S,8aR)- 6- amino- 5,7,7- tricyano- 8- (3- ethoxy- 4- propoxyphenyl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: CCCOc1ccc(cc1OCC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC

STK541054
Synonyms: 1- methyl- 5- (naphthalen- 1- yloxy)- 4- nitro- 1H- imidazole
Smiles: Cn1cnc(c1Oc1cccc2c1cccc2)[N+](=O)[O-]

STK541055
Synonyms: 3,6- diamino- N- [2- (4- chlorophenyl)ethyl]- 5- cyanothieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)NCCc1ccc(cc1)Cl

STK541056
Synonyms: 3,11- bis[2- (morpholin- 4- yl)ethyl]- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: O=c1n(CCN2CCOCC2)cnc2c1c1nc3ccccc3nc1n2CCN1CCOCC1

STK541057
Synonyms: methyl(phenylethynyl)(2,2,2- trifluoro- 1- hydroxy- 1- phenylethyl)phosphinate
Smiles: COP(=O)(C(C(F)(F)F)(c1ccccc1)O)C#Cc1ccccc1

STK541059
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(E)- [2- hydroxy- 3- (prop- 2- en- 1- yl)phenyl]methylidene}acetohydrazide
Smiles: C=CCc1cccc(c1O)/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Cl

STK541060
Synonyms: (5Z)- 1- (4- ethoxyphenyl)- 5- (2,3,6,7- tetrahydro- 1H,5H- pyrido[3,2,1- ij]quinolin- 9- ylmethylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc3CCCN4c3c(c2)CCC4)/C1=O

STK541061
Synonyms: 3- {[(E)- (4- hydroxyphenyl)methylidene]amino}- 2- [(2- methylphenoxy)methyl]quinazolin- 4(3H)- one
Smiles: Oc1ccc(cc1)/C=N/n1c(COc2ccccc2C)nc2c(c1=O)cccc2

STK541062
Synonyms: 3- (3- methylphenyl)- 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]quinazolin- 4(3H)- one
Smiles: CC(=C)CSc1nc2ccccc2c(=O)n1c1cccc(c1)C

STK541063
Synonyms: 3- amino- 4- (4- fluorophenyl)- 6- phenyl- N- [2- (trifluoromethyl)phenyl]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Fc1ccc(cc1)c1cc(nc2c1c(N)c(s2)C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1

STK541064
Synonyms: N'- {(E)- [4- methoxy- 3- (morpholin- 4- ylmethyl)phenyl]methylidene}- 6- oxo- 1,6- dihydropyridazine- 3- carbohydrazide
Smiles: COc1ccc(cc1CN1CCOCC1)/C=N/NC(=O)c1ccc(=O)[nH]n1

STK541065
Synonyms: N'- [(1E)- 1- phenylbutylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: CCC/C(=N\NC(=O)CSc1ccccn1)/c1ccccc1

STK541067
Synonyms: N- {1- benzyl- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}- 4- fluorobenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)F)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK541069
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccccc1Cl

STK541070
Synonyms: N- [2- (4- benzyl- 2,2- dimethyltetrahydro- 2H- pyran- 4- yl)ethyl]- 2- chloro- N- [4- (dimethylamino)benzyl]acetamide
Smiles: ClCC(=O)N(Cc1ccc(cc1)N(C)C)CCC1(CCOC(C1)(C)C)Cc1ccccc1

STK541071
Synonyms: 2- (6- bromo- 2- methyl- 4- oxoquinolin- 1(4H)- yl)- N- (2- methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)Cn1c(C)cc(=O)c2c1ccc(c2)Br

STK541072
Synonyms: 2- [(1,3- benzoxazol- 2- ylsulfanyl)methyl]- 8,9- bis(4- methoxyphenyl)furo[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccc(cc1)c1c(oc2c1c1nc(nn1cn2)CSc1nc2c(o1)cccc2)c1ccc(cc1)OC

STK541074
Synonyms: (9E)- 9- (4- methylbenzylidene)- 5- (4- methylphenyl)- 3- phenyl- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: Cc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccccc1)/C(=C/c1ccc(cc1)C)/CCC2

STK541075
Synonyms: 3- [(3,5- dichloropyridin- 2- yl)amino]- 2,2- dipentyl- 1,3- thiazolidin- 4- one
Smiles: CCCCCC1(CCCCC)SCC(=O)N1Nc1ncc(cc1Cl)Cl

STK541076
Synonyms: N- [2- (diethylamino)ethyl]- 4- hydroxy- 2- oxo- 1- propyl- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCCn1c(=O)c(C(=O)NCCN(CC)CC)c(c2c1cccc2)O

STK541077
Synonyms: 1,3- dimethyl- 7- [2- (piperidin- 1- yl)ethyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCN1CCCCC1)cn2

STK541078
Synonyms: 8- (pentylsulfanyl)- 5- (propan- 2- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCCCCSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C

STK541079
Synonyms: (9E)- 9- (4- bromobenzylidene)- 5- (4- bromophenyl)- 3- (3- nitrophenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: Brc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1cccc(c1)[N+](=O)[O-])/C(=C/c1ccc(cc1)Br)/CCC2

STK541080
Synonyms: N'- [(E)- (3- bromophenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cccc(c1)Br

STK541082
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- [(E)- {2- [(4- bromobenzyl)oxy]phenyl}methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(s1)cccc2)N/N=C/c1ccccc1OCc1ccc(cc1)Br

STK541083
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- pyridin- 4- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccncc1

STK541084
Synonyms: 2- chloro- N- (3- chloropropyl)- N- [cyano(phenyl)methyl]benzamide
Smiles: ClCCCN(C(=O)c1ccccc1Cl)C(c1ccccc1)C#N

STK541085
Synonyms: N- (3,4- dichlorophenyl)- 2- {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK541086
Synonyms: 2- {[3- cyano- 4,6- di(thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (4- fluorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)F)nc(cc1c1cccs1)c1cccs1

STK541087
Synonyms: 7- {4- [(3- chlorophenyl)carbonyl]piperazin- 1- yl}- 1- cyclopropyl- 6- fluoro- 4- oxo- N- (pyridin- 2- ylmethyl)- 1,4- dihydroquinoline- 3- carboxamide
Smiles: Clc1cccc(c1)C(=O)N1CCN(CC1)c1cc2n(cc(c(=O)c2cc1F)C(=O)NCc1ccccn1)C1CC1

STK541088
Synonyms: N- (2,4- dimethoxyphenyl)- 2,2- difluoro- 2- (2,3,3,4,4,5,5- heptafluorotetrahydrofuran- 2- yl)acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F

STK541089
Synonyms: 8- {[2- (diethylamino)ethyl]amino}- 7- (2- hydroxy- 3- phenoxypropyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1ccccc1)O)c(=O)[nH]c(=O)n2C)CC

STK541090
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- [(2E)- 1- phenylbutan- 2- ylidene]acetohydrazide
Smiles: CC/C(=N\NC(=O)CSc1nc2c(s1)cccc2)/Cc1ccccc1

STK541091
Synonyms: [5- (2,3- dichlorophenyl)furan- 2- yl](morpholin- 4- yl)methanethione
Smiles: S=C(c1ccc(o1)c1cccc(c1Cl)Cl)N1CCOCC1

STK541093
Synonyms: 4- (3- methylphenyl)- 1- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCC3

STK541094
Synonyms: ethyl3- (decanoylamino)- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: CCCCCCCCCC(=O)Nc1c([nH]c2c1cc(F)cc2)C(=O)OCC

STK541095
Synonyms: ethyl6- methyl- 2- [(3- {[(2- methylphenyl)sulfonyl]amino}quinoxalin- 2- yl)amino]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2C)sc2c1CCC(C2)C

STK541097
Synonyms: (3E)- 1,1,1- trifluoro- 4- {[3- (4- {[(1E)- 4,4,4- trifluoro- 3- oxobut- 1- en- 1- yl]amino}phenoxy)phenyl]amino}but- 3- en- 2- one
Smiles: O=C(C(F)(F)F)/C=C/Nc1ccc(cc1)Oc1cccc(c1)N/C=C/C(=O)C(F)(F)F

STK541098
Synonyms: methyl3- {[ethoxy(oxo)acetyl]amino}- 5- methyl- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)C(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STK541099
Synonyms: N'- (1- benzyl- 1H- pyrazolo[3,4- d]pyrimidin- 4- yl)benzohydrazide
Smiles: O=C(c1ccccc1)NNc1ncnc2c1cnn2Cc1ccccc1

STK541101
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- {(1E,2E)- 2- methyl- 3- [4- (propan- 2- yl)phenyl]prop- 2- en- 1- ylidene}acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/C(=C/c1ccc(cc1)C(C)C)/C

STK541102
Synonyms: 1,3- dimethyl- 7- (4- methylbenzyl)- 8- [(2Z)- 2- (1- phenylethylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C(\c2ccccc2)/C)nc2c1c(=O)n(c(=O)n2C)C

STK541103
Synonyms: 1- (4- iodophenyl)- 3- [(4- iodophenyl)amino]- 5- phenyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Ic1ccc(cc1)NC1=CC(N(C1=O)c1ccc(cc1)I)c1ccccc1

STK541104
Synonyms: 4,6- dimethyl- 2- [(2E)- 2- {2- [(4- nitrobenzyl)oxy]benzylidene}hydrazinyl]pyrimidine
Smiles: Cc1cc(C)nc(n1)N/N=C/c1ccccc1OCc1ccc(cc1)[N+](=O)[O-]

STK541106
Synonyms: [3- amino- 4,6- di(thiophen- 2- yl)thieno[2,3- b]pyridin- 2- yl](1,3- benzodioxol- 5- yl)methanone
Smiles: O=C(c1sc2c(c1N)c(cc(n2)c1cccs1)c1cccs1)c1ccc2c(c1)OCO2

STK541107
Synonyms: methyl2- ({[2- amino- 1- (2- chlorobenzyl)- 1H- pyrrolo[2,3- b]quinoxalin- 3- yl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1Cl

STK541110
Synonyms: 8- [(2E)- 2- benzylidenehydrazinyl]- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(N/N=C/c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK541111
Synonyms: 7- {3- [(4- fluorophenoxy)methyl]- 4- methoxyphenyl}- 6H,7H,8H- pyrano[3,2- c:5,6- c']dichromene- 6,8- dione
Smiles: COc1ccc(cc1COc1ccc(cc1)F)C1c2c(=O)oc3c(c2Oc2c1c(=O)oc1c2cccc1)cccc3

STK541112
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (1,3- dimethyl- 1H- pyrazol- 4- yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1cn(nc1C)C

STK541113
Synonyms: 1- (2,6- dimethyl- 1H- indol- 3- yl)- 2- [4- (2- fluorophenyl)piperazin- 1- yl]ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCN(CC1)c1ccccc1F)C

STK541114
Synonyms: 3- amino- N- (2,3- dimethoxybenzyl)- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)NCc1cccc(c1OC)OC

STK541115
Synonyms: N- benzyl- N- [2- (4- chlorophenyl)- 2- hydroxy- 2- phenylethyl]benzamide
Smiles: Clc1ccc(cc1)C(c1ccccc1)(CN(C(=O)c1ccccc1)Cc1ccccc1)O

STK541116
Synonyms: (3aR,4S,9aR,9bS)- 4- [(4- bromophenyl)carbonyl]- 2- (4- methylphenyl)- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)Br)C=CC(=C1)C(=O)c1ccccc1

STK541117
Synonyms: 8- [(2E)- 2- (2,4- dihydroxybenzylidene)hydrazinyl]- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(N/N=C/c2ccc(cc2O)O)nc2c1c(=O)n(c(=O)n2C)C

STK541118
Synonyms: 2- {[3- (4- fluorophenyl)- 3- (furan- 2- yl)propyl]carbamoyl}benzoicacid
Smiles: Fc1ccc(cc1)C(c1ccco1)CCNC(=O)c1ccccc1C(=O)O

STK541120
Synonyms: 3- {[(E)- (1- hydroxy- 4- nitronaphthalen- 2- yl)methylidene]amino}- 2- propylquinazolin- 4(3H)- one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1cc([N+](=O)[O-])c2c(c1O)cccc2

STK541122
Synonyms: (8S,8aR)- 6- amino- 2- methyl- 8- [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=CCN(C2)C)c1ccc(cc1)OC(C)C)(C#N)C#N

STK541123
Synonyms: 8- (azepan- 1- ylmethyl)- 3- (3,5- dimethylphenoxy)- 6- hexyl- 7- hydroxy- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CCCCCCc1cc2c(c(c1O)CN1CCCCCC1)oc(c(c2=O)Oc1cc(C)cc(c1)C)C(F)(F)F

STK541124
Synonyms: N- [4- ({2- methoxy- 5- [(1E)- 3- (4- methoxyphenyl)- 3- oxoprop- 1- en- 1- yl]benzyl}oxy)phenyl]acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C/C(=O)c1ccc(cc1)OC

STK541125
Synonyms: 2- [(3- cyclohexyl- 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)n1C1CCCCC1)CCCCC3

STK541126
Synonyms: 4- [4- (2- fluorobenzyl)piperazin- 1- yl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: Fc1ccccc1CN1CCN(CC1)c1ncnc2c1c1CCCCc1s2

STK541127
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- (2- hydroxy- 3- methoxy- 5- nitrophenyl)methylidene]acetohydrazide
Smiles: COc1cc(cc(c1O)/C=N/NC(=O)Cn1nnc(n1)N)[N+](=O)[O-]

STK541128
Synonyms: N- (2,4- dinitrophenyl)- 2,2,3,3,4,4,5,5,6,6,7,7,7- tridecafluoroheptanamide
Smiles: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK541129
Synonyms: 1- (2- methyl- 1H- indol- 3- yl)- 2- (3- methylpiperidin- 1- yl)ethanone
Smiles: CC1CCCN(C1)CC(=O)c1c(C)[nH]c2c1cccc2

STK541130
Synonyms: N'- [(E)- {2- [(3- bromobenzyl)oxy]phenyl}methylidene]- 2- phenylquinoline- 4- carbohydrazide
Smiles: Brc1cccc(c1)COc1ccccc1/C=N/NC(=O)c1cc(nc2c1cccc2)c1ccccc1

STK541131
Synonyms: 9- (hexylsulfanyl)- 8- (4- methylphenyl)- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: CCCCCCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCc1c3cccc1

STK541134
Synonyms: (1'R,3R,3'R)- 1',3'- bis[(4- bromophenyl)carbonyl]- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Brc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)cccc3

STK541135
Synonyms: 8- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 7- (4- fluorophenyl)- 1,3- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Fc1ccc(cc1)c1cn2c(n1c1ccc3c(c1)OCCO3)nc1c2c(=O)n(c(=O)n1C)C

STK541138
Synonyms: 3- {[(E)- (4- bromo- 1- hydroxynaphthalen- 2- yl)methylidene]amino}- 2- methylquinazolin- 4(3H)- one
Smiles: Oc1c(/C=N/n2c(C)nc3c(c2=O)cccc3)cc(c2c1cccc2)Br

STK541140
Synonyms: 3- benzyl- 2- [(2,4- dichlorobenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK541142
Synonyms: N'- [(1Z)- 1- (4- nitrophenyl)ethylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C(\c1ccc(cc1)[N+](=O)[O-])/C

STK541144
Synonyms: 7- ethyl- 1,3- dimethyl- 8- [(2E)- 2- (pyridin- 2- ylmethylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(N/N=C/c2ccccn2)nc2c1c(=O)n(c(=O)n2C)C

STK541145
Synonyms: methyl[(3- methyl- 7- octyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)sulfanyl]acetate
Smiles: CCCCCCCCn1c(SCC(=O)OC)nc2c1c(=O)[nH]c(=O)n2C

STK541146
Synonyms: N- (3,4- dichlorophenyl)- 11- (2,4- dimethoxyphenyl)- 10- methyl- 8- (2- methylphenyl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(c(c1)OC)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)Cl)c1ccccc1C

STK541147
Synonyms: 2- [(4- methylbenzyl)sulfanyl]- 3- phenyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK541148
Synonyms: N- [(2- cyanoethyl)(phenyl)carbamothioyl]benzamide
Smiles: N#CCCN(C(=S)NC(=O)c1ccccc1)c1ccccc1

STK541149
Synonyms: (9E)- 9- benzylidene- 3- (3- nitrophenyl)- 5- phenyl- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: [O-][N+](=O)c1cccc(c1)c1csc2=NC3=C(C(n12)c1ccccc1)CCC/C/3=C\c1ccccc1

STK541150
Synonyms: (4R,4aR)- 2- amino- 4- (2,6- difluorophenyl)- 10- methyl- 4,4a,5,6,7,8- hexahydro- 3H- 5,8- epiminobenzo[7]annulene- 1,3,3- tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CC1CCC2N1C)c1c(F)cccc1F)(C#N)C#N

STK541151
Synonyms: methyl5- fluoro- 3- {[(2,4,5- trimethylphenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cc(C)c(cc1C)C)cc(cc2)F

STK541152
Synonyms: 8- (4- benzylpiperazin- 1- yl)- 1,3- dimethyl- 7- (3- phenylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2CCCc1ccccc1)N1CCN(CC1)Cc1ccccc1

STK541153
Synonyms: 7- [3- (4- chlorophenoxy)- 2- hydroxypropyl]- 8- {[2- (diethylamino)ethyl]amino}- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C)CC

STK541154
Synonyms: (8S,8aR)- 6- amino- 2- benzyl- 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)Cc1ccccc1

STK541155
Synonyms: 8- [(2E)- 2- (4- chlorobenzylidene)hydrazinyl]- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(N/N=C/c2ccc(cc2)Cl)nc2c1c(=O)n(c(=O)n2C)C

STK541157
Synonyms: ethyl4- [(3- chlorophenyl)amino]- 6- methylquinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc(c1)Cl)cc(cc2)C

STK541158
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (4- fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccc(cc1)F

STK541159
Synonyms: (2E)- 2- [(5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)hydrazinecarboxamide
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK541160
Synonyms: N- (4- {[3- (4- methylpiperazin- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl]sulfamoyl}phenyl)acetamide
Smiles: CN1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(cc2)NC(=O)C)C(=O)c2c(C1=O)cccc2

STK541161
Synonyms: 3- amino- N- [2- (4- fluorophenyl)ethyl]- 6- (thiophen- 2- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Fc1ccc(cc1)CCNC(=O)c1sc2c(c1N)ccc(n2)c1cccs1

STK541162
Synonyms: 4- benzyl- 1- methyl- 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(=O)n(Cc3ccccc3)c3n(c1s2)c(C)nn3)C

STK541163
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (5- nitrothiophen- 2- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK541164
Synonyms: 4,6- dimethyl- 2- [(2E)- 2- {(2E)- 2- methyl- 3- [4- (propan- 2- yl)phenyl]prop- 2- en- 1- ylidene}hydrazinyl]pyrimidine
Smiles: C/C(=C\c1ccc(cc1)C(C)C)/C=N/Nc1nc(C)cc(n1)C

STK541165
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(2E)- 1- phenylbutan- 2- ylidene]acetohydrazide
Smiles: CC/C(=N\NC(=O)CSc1nnc(n1C)c1cccc(c1)Br)/Cc1ccccc1

STK541166
Synonyms: 8- chloro- 3- [(1- ethylpyrrolidin- 2- yl)methyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCN1CCCC1Cn1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK541167
Synonyms: ethyl5- methoxy- 3- {[(prop- 2- en- 1- yloxy)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: C=CCOC(=O)Nc1c([nH]c2c1cc(OC)cc2)C(=O)OCC

STK541168
Synonyms: 8- {[2- (dimethylamino)ethyl]amino}- 7- [2- hydroxy- 3- (4- methoxyphenoxy)propyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)OCC(Cn1c(NCCN(C)C)nc2c1c(=O)n(C)c(=O)n2C)O

STK541169
Synonyms: (5E)- 2- (4- acetylpiperazin- 1- yl)- 5- {2- [(4- nitrobenzyl)oxy]benzylidene}- 1,3- thiazol- 4(5H)- one
Smiles: CC(=O)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OCc2ccc(cc2)[N+](=O)[O-])/S1

STK541172
Synonyms: 4- (3- methylphenyl)- 1- (methylsulfanyl)- 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: CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)C(C)C

STK541173
Synonyms: 2- cyclopropyl- N'- [(E)- (2- hydroxy- 5- nitrophenyl)methylidene]quinoline- 4- carbohydrazide
Smiles: Oc1ccc(cc1/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1)[N+](=O)[O-]

STK541174
Synonyms: 1- ethyl- 6- fluoro- 4- oxo- 7- (4- tetradecanoylpiperazin- 1- yl)- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCCCCCCCCCCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK541175
Synonyms: 3- (4- {[5- (3- nitrophenyl)furan- 2- yl]carbonothioyl}piperazin- 1- yl)propanenitrile
Smiles: N#CCCN1CCN(CC1)C(=S)c1ccc(o1)c1cccc(c1)[N+](=O)[O-]

STK541176
Synonyms: 11- (4- bromophenyl)- 10- methyl- N,8- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Brc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccccc1)c1ccccc1

STK541177
Synonyms: N- [2- (4- chlorophenyl)ethyl]- 4- hydroxy- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: Clc1ccc(cc1)CCNC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK541179
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(1E,2E)- 2- methyl- 3- [4- (propan- 2- yl)phenyl]prop- 2- en- 1- ylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/C(=C/c1ccc(cc1)C(C)C)/C

STK541180
Synonyms: ethyl2- [({[3- (2,6- dichlorophenyl)- 5- methyl- 1,2- oxazol- 4- yl]carbonyl}carbamothioyl)amino]- 4- methyl- 5- [(2- methylphenyl)carbamoyl]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)c2c(C)onc2c2c(Cl)cccc2Cl)sc(c1C)C(=O)Nc1ccccc1C

STK541181
Synonyms: 2- (1H- indol- 3- yl)- N'- [(3E)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]acetohydrazide
Smiles: O=C(Cc1c[nH]c2c1cccc2)N/N=C\1/C(=O)Nc2c1cccc2

STK541182
Synonyms: 2- {4- methoxy- 3- [(4- nitrophenoxy)methyl]phenyl}- 2,3- dihydro- 4H- chromen- 4- one
Smiles: COc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])C1CC(=O)c2c(O1)cccc2

STK541183
Synonyms: (8R,8aR)- 6- amino- 8- (furan- 3- yl)- 2- (propan- 2- yl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(C)C)c1ccoc1)(C#N)C#N

STK541184
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (2- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK541186
Synonyms: 8- [(4- fluorobenzyl)sulfanyl]- 1,3- dimethyl- 7- pentyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCn1c(SCc2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C

STK541187
Synonyms: 2- (2- methoxy- 4- {(E)- [2- (1H- 1,2,4- triazol- 1- ylacetyl)hydrazinylidene]methyl}phenoxy)acetamide
Smiles: COc1cc(/C=N/NC(=O)Cn2cncn2)ccc1OCC(=O)N

STK541188
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- bromophenyl)carbonyl]- 3- chloro- 8- phenyl- 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)c1ccccc1)C=Cc1c2ccc(c1)Cl

STK541191
Synonyms: 2- [4- (3- chlorophenyl)piperazin- 1- yl]- 1- (2,6- dimethyl- 1H- indol- 3- yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCN(CC1)c1cccc(c1)Cl)C

STK541192
Synonyms: methyl[2- bromo- 1- hydroxy- 1- (4- nitrophenyl)ethyl](phenylethynyl)phosphinate
Smiles: BrCC(P(=O)(C#Cc1ccccc1)OC)(c1ccc(cc1)[N+](=O)[O-])O

STK541193
Synonyms: methyl2- ({[2- amino- 1- (3- methoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxalin- 3- yl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COc1cccc(c1)n1c2nc3ccccc3nc2c(c1N)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

STK541194
Synonyms: N'- [(E)- (3- chlorophenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cccc(c1)Cl

STK541195
Synonyms: methyl(3,3- dimethylbut- 1- yn- 1- yl)[(4- fluorophenyl)(hydroxy)methyl]phosphinate
Smiles: COP(=O)(C(c1ccc(cc1)F)O)C#CC(C)(C)C

STK541196
Synonyms: 2- [(7- hexyl- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)sulfanyl]- N- phenylacetamide
Smiles: CCCCCCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK541197
Synonyms: 2- cyclopropyl- N'- [(E)- (3,5- dibromo- 2- hydroxyphenyl)methylidene]quinoline- 4- carbohydrazide
Smiles: Brc1cc(/C=N/NC(=O)c2cc(nc3c2cccc3)C2CC2)c(c(c1)Br)O

STK541198
Synonyms: 8- [(2,6- dimethylmorpholin- 4- yl)methyl]- 3- (3,5- dimethylphenoxy)- 6- hexyl- 7- hydroxy- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CCCCCCc1cc2c(c(c1O)CN1CC(C)OC(C1)C)oc(c(c2=O)Oc1cc(C)cc(c1)C)C(F)(F)F

STK541199
Synonyms: 2- (3- iodo- 4,5- dimethoxyphenyl)- 2,3,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: COc1cc(cc(c1OC)I)C1NC(=O)c2c(N1)sc1c2CCCC1

STK541200
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- methoxyphenyl)carbonyl]- 8- (naphthalen- 1- yl)- 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)c1cccc3c1cccc3)C=Cc1c2cccc1

STK541201
Synonyms: methyl{[5- (propan- 2- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C

STK541202
Synonyms: 2'- amino- 4- tert- butyl- 7',9'- dimethylspiro[cyclohexane- 1,4'- pyrano[2',3':4,5]thieno[2,3- b]pyridine]- 3'- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31CCC(CC3)C(C)(C)C)sc1c2c(C)cc(n1)C

STK541203
Synonyms: 2- imino- N- (2- methoxyethyl)- 10- methyl- 5- oxo- 1- (pyridin- 3- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COCCNC(=O)c1cc2c(n(c1=N)Cc1cccnc1)nc1n(c2=O)cccc1C

STK541204
Synonyms: 1- [4- ethoxy- 5- (2- hydroxyethyl)- 4- oxido- 1- phenyl- 1,4- dihydro- 1,2,4- diazaphosphinin- 3- yl]ethanone
Smiles: OCCC1=CN(N=C(P1(=O)OCC)C(=O)C)c1ccccc1

STK541205
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- {(1E,2Z)- 2- methyl- 3- [4- (propan- 2- yl)phenyl]prop- 2- en- 1- ylidene}acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/C(=C\c1ccc(cc1)C(C)C)/C

STK541207
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- naphthalen- 1- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1cccc2c1cccc2

STK541208
Synonyms: 2- {(E)- [4- oxo- 2- (4- phenylpiperazin- 1- yl)- 1,3- thiazol- 5(4H)- ylidene]methyl}phenylbenzenesulfonate
Smiles: O=C1N=C(S/C/1=C/c1ccccc1OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccccc1

STK541209
Synonyms: 7- benzyl- 2- {[(2Z)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 3- phenyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: C/C(=C/CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCN(C3)Cc1ccccc1)/Cl

STK541210
Synonyms: 4- {2- [(4- bromophenyl)amino]- 2- oxoethyl}- 5- (4- methylphenyl)- N- phenylthiophene- 2- carboxamide
Smiles: O=C(Cc1cc(sc1c1ccc(cc1)C)C(=O)Nc1ccccc1)Nc1ccc(cc1)Br

STK541211
Synonyms: 3,6- diamino- 2- [(3- bromophenyl)carbonyl]- 4- (4- hydroxyphenyl)thieno[2,3- b]pyridine- 5- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1ccc(cc1)O)c(N)c(s2)C(=O)c1cccc(c1)Br

STK541212
Synonyms: 3- amino- N- (3,5- dimethoxybenzyl)- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cc(CNC(=O)c2sc3c(c2N)ccc(n3)c2cccc(c2)OC)cc(c1)OC

STK541213
Synonyms: N'- [(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccccc2)ccc1O

STK541214
Synonyms: N- cyclohexyl- 2,2,3,3,4,4,5,5,5- nonafluoropentanamide
Smiles: O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)NC1CCCCC1

STK541215
Synonyms: 3- amino- N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccc2c(c1)OCCO2

STK541218
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- [(1E)- 1- (4- methylphenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(/c1ccc(cc1)C)\C)CSc1nc2c(s1)cccc2

STK541219
Synonyms: 3- amino- N- [2- (3- chlorophenyl)ethyl]- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)NCCc1cccc(c1)Cl

STK541220
Synonyms: 2- {(E)- [2- (4,6- dimethylpyrimidin- 2- yl)hydrazinylidene]methyl}- 6- methoxy- 4- nitrophenol
Smiles: COc1cc(cc(c1O)/C=N/Nc1nc(C)cc(n1)C)[N+](=O)[O-]

STK541221
Synonyms: 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 8- {(2E)- 2- [1- (4- methoxyphenyl)ethylidene]hydrazinyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)/C(=N/Nc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C)/C

STK541222
Synonyms: 1- (2,6- dimethyl- 1H- indol- 3- yl)- 2- [4- (2,3- dimethylphenyl)piperazin- 1- yl]ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCN(CC1)c1cccc(c1C)C)C

STK541223
Synonyms: methyl[(1,3- dimethyl- 2,6- dioxo- 7- pentyl- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)sulfanyl]acetate
Smiles: CCCCCn1c(SCC(=O)OC)nc2c1c(=O)n(c(=O)n2C)C

STK541224
Synonyms: 8- [(2E)- 2- (4- fluorobenzylidene)hydrazinyl]- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(N/N=C/c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C

STK541226
Synonyms: (5E)- 5- (4- hydroxy- 3- nitrobenzylidene)- 2- (morpholin- 4- yl)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C/c1ccc(c(c1)[N+](=O)[O-])O)N1CCOCC1

STK541228
Synonyms: (2E)- N- (2,4- dichlorophenyl)- 2- [(5- phenyl- 1H- pyrazol- 4- yl)methylidene]hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1cn[nH]c1c1ccccc1

STK541230
Synonyms: 2- amino- N- (3,4- dimethylphenyl)- 1- (3,5- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Cc1cc(C)cc(c1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)Nc1ccc(c(c1)C)C

STK541232
Synonyms: 2- {[4- (3- methylphenyl)- 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}- N- phenylpropanamide
Smiles: Cc1cccc(c1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SC(C(=O)Nc1ccccc1)C

STK541237
Synonyms: 4- (4- chlorophenyl)- 2- [(2- methoxyethyl)sulfanyl]- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: COCCSc1nc(cc(c1C#N)c1ccc(cc1)Cl)c1cccs1

STK541238
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 1- (2,6- dimethyl- 1H- indol- 3- yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCN(CC1)Cc1ccccc1)C

STK541240
Synonyms: 2- {[1,3- dimethyl- 2,6- dioxo- 7- (3- phenylpropyl)- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c(n1CCCc1ccccc1)c(=O)n(c(=O)n2C)C

STK541241
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- methoxyphenyl)carbonyl]- 8- (4- methylphenyl)- 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)C=Cc1c2cccc1

STK541242
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- bromophenyl)carbonyl]- 2- chloro- 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: Clc1ccc2c(c1)N1[C@H](C=C2)[C@@H]2[C@H]([C@H]1C(=O)c1ccc(cc1)Br)C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-]

STK541243
Synonyms: N'- [(E)- (5- nitrothiophen- 2- yl)methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: [O-][N+](=O)c1ccc(s1)/C=N/NC(=O)Cn1cncn1

STK541244
Synonyms: 4- fluoro- N- {3- [(4- methylphenyl)sulfonyl]- 1- pentyl- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}benzenesulfonamide
Smiles: CCCCCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)F)S(=O)(=O)c1ccc(cc1)C

STK541245
Synonyms: 4- benzyl- 1- [(3,4- dichlorobenzyl)sulfanyl]- 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(SCc3ccc(c(c3)Cl)Cl)nnc2n(c1=O)Cc1ccccc1)C

STK541246
Synonyms: methyl5- methyl- 3- {[(2,4,5- trimethylphenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cc(C)c(cc1C)C)cc(cc2)C

STK541247
Synonyms: N'- [(E)- (4- hydroxyphenyl)methylidene]- 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccc(cc1)O

STK541248
Synonyms: N,N'- dimethyl- 6- (morpholin- 4- yl)- N,N'- dioctadecyl- 1,3,5- triazine- 2,4- diamine
Smiles: CCCCCCCCCCCCCCCCCCN(c1nc(nc(n1)N1CCOCC1)N(CCCCCCCCCCCCCCCCCC)C)C

STK541249
Synonyms: 3- amino- 2- (2- phenylethyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Nn1c(CCc2ccccc2)nc2c(c1=O)c1CCCCc1s2

STK541250
Synonyms: 7- (4- bromophenyl)- 8- {4- [chloro(difluoro)methoxy]phenyl}- 1,3- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Brc1ccc(cc1)c1cn2c(n1c1ccc(cc1)OC(Cl)(F)F)nc1c2c(=O)n(c(=O)n1C)C

STK541253
Synonyms: 2- [({[3- (2,6- dichlorophenyl)- 5- methyl- 1,2- oxazol- 4- yl]carbonyl}carbamothioyl)amino]- 6- ethyl- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl

STK541255
Synonyms: 2- [(2- methylphenoxy)methyl]- 3- {[(E)- (3,4,5- trimethoxyphenyl)methylidene]amino}quinazolin- 4(3H)- one
Smiles: COc1cc(/C=N/n2c(COc3ccccc3C)nc3c(c2=O)cccc3)cc(c1OC)OC

STK541256
Synonyms: 2- {[3- (cyclohexylmethyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCCC1

STK541258
Synonyms: (1'R,3R,3'R)- 1'- [(4- bromophenyl)carbonyl]- 3'- [(4- pentylphenyl)carbonyl]- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: CCCCCc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br)cccc3

STK541259
Synonyms: 2- amino- 1- (2,5- dimethylphenyl)- N- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Cc1ccc(c(c1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCc1ccccc1)C

STK541260
Synonyms: 8- {[(2E)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: C/C(=C\CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)/Cl

STK541261
Synonyms: 1- heptyl- 2- hydroxy- 4- imino- N'- [(E)- pyridin- 3- ylmethylidene]- 1,4- dihydroquinoline- 3- carbohydrazide
Smiles: CCCCCCCn1c(O)c(C(=O)N/N=C/c2cccnc2)c(=N)c2c1cccc2

STK541262
Synonyms: 1- ethyl- 6- fluoro- 4- oxo- 7- [4- (quinolin- 2- ylcarbonyl)piperazin- 1- yl]- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccc3c(n1)cccc3)c(c2)F

STK541263
Synonyms: methyl5- bromo- 3- [(2- bromohexanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCCCC(C(=O)Nc1c([nH]c2c1cc(Br)cc2)C(=O)OC)Br

STK541264
Synonyms: 2- {[3- cyano- 6- (3,4- dimethoxyphenyl)pyridin- 2- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1cccc(c1)C)c1ccc(c(c1)OC)OC

STK541265
Synonyms: 7- benzyl- 1,3- dimethyl- 8- [(2E)- 2- (pyridin- 2- ylmethylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1ccccc1)N/N=C/c1ccccn1

STK541266
Synonyms: (8E)- 2- amino- 8- (4- bromobenzylidene)- 4- (4- bromophenyl)- 6- ethyl- 5,6,7,8- tetrahydro- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: CCN1C/C(=C\c2ccc(cc2)Br)/C2=C(C1)C(c1ccc(cc1)Br)C(=C(O2)N)C#N

STK541267
Synonyms: (9E)- 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 9- (4- fluorobenzylidene)- 5- (4- fluorophenyl)- 7- methyl- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: CC1C/C(=C\c2ccc(cc2)F)/C2=C(C1)C(c1ccc(cc1)F)n1c(=N2)scc1c1ccc2c(c1)OCCO2

STK541268
Synonyms: 3- methyl- 8- (piperidin- 1- yl)- 7- [2- (piperidin- 1- yl)ethyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=c1[nH]c(=O)c2c(n1C)nc(n2CCN1CCCCC1)N1CCCCC1

STK541269
Synonyms: N'- [(E)- (5- bromo- 2- methoxyphenyl)methylidene]- 2- cyclopropylquinoline- 4- carbohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1)Br

STK541270
Synonyms: N- (1,3- dihydroxy- 2- methylpropan- 2- yl)- 6- oxo- 1,6- dihydropyridazine- 3- carboxamide
Smiles: OCC(NC(=O)c1ccc(=O)[nH]n1)(CO)C

STK541271
Synonyms: 8- [(2- methoxyethyl)sulfanyl]- 3- methyl- 7- pentyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCn1c(SCCOC)nc2c1c(=O)[nH]c(=O)n2C

STK541274
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- phenylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccccc1

STK541275
Synonyms: (6aS,6bR,9aS,10R)- 10- acetyl- 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)C

STK541276
Synonyms: 7,9- dichloro- 2- (3,4- dimethoxyphenyl)- 5- (3- nitrophenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: COc1ccc(cc1OC)C1=NN2C(C1)c1cc(Cl)cc(c1OC2c1cccc(c1)[N+](=O)[O-])Cl

STK541278
Synonyms: (6aR,6bS,9aR,10S)- 8- (3- fluorophenyl)- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Fc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)c2ccccc2C=C1

STK541279
Synonyms: N- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 2,2,3,3,4,4,5,5,6,6,7,7,7- tridecafluoroheptanamide
Smiles: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1scc(n1)c1ccc(cc1)Cl

STK541282
Synonyms: 3- methyl- 7- (4- methylbenzyl)- 8- {[2- (morpholin- 4- yl)ethyl]sulfanyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C

STK541283
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- bromophenyl)carbonyl]- 8- (4- butoxyphenyl)- 3- chloro- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1ccc(c2)Cl)C(=O)c1ccc(cc1)Br

STK541284
Synonyms: 2- cyclopropyl- N'- {(E)- [3- methoxy- 4- (propan- 2- yloxy)phenyl]methylidene}quinoline- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cc(nc3c2cccc3)C2CC2)ccc1OC(C)C

STK541285
Synonyms: 11- (4- bromophenyl)- 10- methyl- N- (4- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)Br)C)c1ccccc1

STK541286
Synonyms: 2- cyano- 2- [3- (4- methylpiperidin- 1- yl)quinoxalin- 2- yl]- N- (prop- 2- en- 1- yl)acetamide
Smiles: C=CCNC(=O)C(c1nc2ccccc2nc1N1CCC(CC1)C)C#N

STK541287
Synonyms: 7- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (9H- fluoren- 9- yl)heptanamide
Smiles: O=C(NC1c2ccccc2c2c1cccc2)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK541288
Synonyms: ethyl2- [(7- ethyl- 3- methyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)sulfanyl]propanoate
Smiles: CCOC(=O)C(Sc1nc2c(n1CC)c(=O)[nH]c(=O)n2C)C

STK541289
Synonyms: 2- {[5- (4- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- pyridin- 2- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccccn1

STK541292
Synonyms: 1- (4- bromophenyl)- 2- {[9- methyl- 5- (methylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}ethanone
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)Br)nn2)CCC(C3)C

STK541294
Synonyms: 6- ethyl- 5- methyl- 2- [(pyridin- 3- ylmethyl)sulfanyl]pyridine- 3- carbonitrile
Smiles: N#Cc1cc(C)c(nc1SCc1cccnc1)CC

STK541295
Synonyms: N'- [(E)- (3- hydroxyphenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cccc(c1)O

STK541296
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- bromophenyl)carbonyl]- 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)c1ccc(cc1)Br

STK541297
Synonyms: 3- (3- methylphenyl)- 2- (pentylsulfanyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCCCCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C

STK541298
Synonyms: ethyl4- [3- acetyl- 2- (4- boranylphenyl)- 4- hydroxy- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccc(cc1)B)C(=O)C)O

STK541300
Synonyms: N- benzyl- 2- cyano- 2- {3- [4- (diphenylmethyl)piperazin- 1- yl]quinoxalin- 2- yl}acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1

STK541301
Synonyms: 4- acetyl- 3- hydroxy- 5- (4- hydroxy- 3- methoxyphenyl)- 1- (4- methoxyphenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1ccc(cc1)N1C(c2ccc(c(c2)OC)O)C(=C(C1=O)O)C(=O)C

STK541302
Synonyms: ethyl(8S,8aR)- 6- amino- 5,7,7- tricyano- 8- (3- hydroxyphenyl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1cccc(c1)O)C(C(=C2C#N)N)(C#N)C#N

STK541303
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- (4- hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccc(cc1)O

STK541305
Synonyms: 3- (butylsulfanyl)- 5- (methylsulfanyl)- 10- (propan- 2- yl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCCSc1nnc2n1c(SC)nc1c2c2CC(OCc2s1)C(C)C

STK541308
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- {(E)- [4- (diethylamino)phenyl]methylidene}acetohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)Cn1nnc(n1)N)CC

STK541309
Synonyms: 8- [(2- aminoethyl)amino]- 7- [2- hydroxy- 3- (4- methoxyphenoxy)propyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: NCCNc1nc2c(n1CC(COc1ccc(cc1)OC)O)c(=O)n(c(=O)n2C)C

STK541310
Synonyms: ethyl4- [(4- chlorophenyl)amino]- 6- methylquinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)Cl)cc(cc2)C

STK541311
Synonyms: 2- cyclopropyl- N'- [(1Z)- 1- phenylbutylidene]quinoline- 4- carbohydrazide
Smiles: CCC/C(=N/NC(=O)c1cc(nc2c1cccc2)C1CC1)/c1ccccc1

STK541312
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- (4- methylphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccc(cc1)C

STK541313
Synonyms: N'- [(E)- {4- methoxy- 3- [(3- methoxyphenoxy)methyl]phenyl}methylidene]- 6- oxo- 1,6- dihydropyridazine- 3- carbohydrazide
Smiles: COc1cccc(c1)OCc1cc(/C=N/NC(=O)c2ccc(=O)[nH]n2)ccc1OC

STK541314
Synonyms: 2- bromo- N- (3- cyano- 5- ethyl- 5- methyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 2- yl)propanamide
Smiles: CCC1(C)OCc2c(C1)c(C#N)c(s2)NC(=O)C(Br)C

STK541315
Synonyms: 2- {[4- benzyl- 5- oxo- 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- phenylpropanamide
Smiles: CC(C(=O)Nc1ccccc1)Sc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC(OC3)C(C)C

STK541316
Synonyms: ethyl2- [({[3- (2,6- dichlorophenyl)- 5- methyl- 1,2- oxazol- 4- yl]carbonyl}carbamothioyl)amino]- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)c2c(C)onc2c2c(Cl)cccc2Cl)sc2c1CCC(C2)C

STK541321
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- (prop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: C=CCn1c(SCc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK541322
Synonyms: 2- cyclopropyl- N'- [(E)- (3- nitrophenyl)methylidene]quinoline- 4- carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)C1CC1)N/N=C/c1cccc(c1)[N+](=O)[O-]

STK541323
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- bromophenyl)carbonyl]- 2- chloro- 8- (3- fluorophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc2c(c1)N1[C@H](C=C2)[C@@H]2[C@H]([C@H]1C(=O)c1ccc(cc1)Br)C(=O)N(C2=O)c1cccc(c1)F

STK541324
Synonyms: 2- {3- [2- (3,4- dimethoxyphenyl)ethyl]- 1- (4- methylphenyl)- 5- oxo- 2- thioxoimidazolidin- 4- yl}- N- (4- propoxyphenyl)acetamide
Smiles: CCCOc1ccc(cc1)NC(=O)CC1N(CCc2ccc(c(c2)OC)OC)C(=S)N(C1=O)c1ccc(cc1)C

STK541325
Synonyms: 8- [(2E)- 2- (5- bromo- 2- hydroxybenzylidene)hydrazinyl]- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(N/N=C/c2cc(Br)ccc2O)nc2c1c(=O)n(c(=O)n2C)C

STK541326
Synonyms: 8- [(4- fluorobenzyl)sulfanyl]- 3- methyl- 7- octyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCn1c(SCc2ccc(cc2)F)nc2c1c(=O)[nH]c(=O)n2C

STK541327
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- bromophenyl)carbonyl]- 8- phenyl- 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)c1ccccc1)C=Cc1c2cccc1

STK541328
Synonyms: 2- [(11- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- 1- phenylethanone
Smiles: CC1CCCc2c1c1c(s2)ncn2c1nnc2SCC(=O)c1ccccc1

STK541329
Synonyms: N- {3- [(4- methylphenyl)sulfonyl]- 1- octyl- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}naphthalene- 2- sulfonamide
Smiles: CCCCCCCCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc2c(c1)cccc2)S(=O)(=O)c1ccc(cc1)C

STK541331
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- pyridin- 3- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1cccnc1

STK541333
Synonyms: 2,5- bis[(ethylamino)methyl]- 1,6- bis(4- propoxyphenyl)hexane- 1,6- dione
Smiles: CCNCC(C(=O)c1ccc(cc1)OCCC)CCC(C(=O)c1ccc(cc1)OCCC)CNCC

STK541334
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(1E,2E)- 2- methyl- 3- [4- (propan- 2- yl)phenyl]prop- 2- en- 1- ylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/C(=C/c1ccc(cc1)C(C)C)/C

STK541335
Synonyms: 5,7- dimethyl- N'- {(1Z)- 1- [4- (methylamino)phenyl]ethylidene}[1,2,4]triazolo[1,5- a]pyrimidine- 2- carbohydrazide
Smiles: CNc1ccc(cc1)/C(=N\NC(=O)c1nn2c(n1)nc(cc2C)C)/C

STK541336
Synonyms: 11- (3,4- dichlorophenyl)- 3- (furan- 2- ylmethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Clc1ccc(cc1Cl)n1c2nc3ccccc3nc2c2c1ncn(c2=O)Cc1ccco1

STK541337
Synonyms: 7- hexyl- 1,3- dimethyl- 8- (propylamino)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(NCCC)nc2c1c(=O)n(C)c(=O)n2C

STK541338
Synonyms: 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N'- [(1E,2E)- 3- phenylprop- 2- en- 1- ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/C=C/c1ccccc1