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 910 911 912 913 914 915 916 917 918 919 Next

STK567856
Synonyms: 2- [4- (4- tert- butyl- 2- chlorophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Clc1cc(ccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C(C)(C)C

STK847305
Synonyms: N- [(2E)- 5- [(4- methylphenoxy)methyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]furan- 2- carboxamide
Smiles: Cc1ccc(cc1)OCc1n[nH]/c(=N\C(=O)c2ccco2)/s1

STK567861
Synonyms: 3- [7- (2,4- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]naphthalen- 2- ol
Smiles: Cc1ccc(c(c1)C)n1ncc2c1ncn1c2nnc1c1cc2ccccc2cc1O

STK567867
Synonyms: N- [(3Z)- 1- butyl- 6- methoxy- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- ethoxybenzamide
Smiles: CCCCn1[nH]/c(=N\C(=O)c2ccc(cc2)OCC)/c2c1nc1ccc(cc1c2)OC

STK567873
Synonyms: (5E)- 3- butyl- 5- {1- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]ethylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\Nc2c(C)n(n(c2=O)c2ccccc2)C)/C)/C1=O)O

STK567885
Synonyms: (8E)- 7- (2- chlorobenzyl)- 1,3- dimethyl- 8- [(2Z)- (3- methylcyclohexylidene)hydrazinylidene]- 3,7,8,9- tetrahydro- 1H- purine- 2,6- dione
Smiles: CC1CCC/C(=N/N=c/2\[nH]c3c(n2Cc2ccccc2Cl)c(=O)n(c(=O)n3C)C)/C1

STK567892
Synonyms: 1- (1,3- benzothiazol- 3- ium- 2- yl)- 3- {[(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]methyl}- 1H- pyrazol- 5- olate
Smiles: Cc1nnc(s1)SCc1nn(c(c1)[O-])c1sc2c([nH+]1)cccc2

STK567893
Synonyms: 2- ethyl- 4- [4- (pyrimidin- 2- yl)piperazin- 1- yl][1]benzofuro[3,2- d]pyrimidine
Smiles: CCc1nc(N2CCN(CC2)c2ncccn2)c2c(n1)c1ccccc1o2

STK567898
Synonyms: 2- methyl- 4- (1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)[1]benzofuro[3,2- d]pyrimidine
Smiles: Cc1nc(N2CC3(CC2CC(C3)(C)C)C)c2c(n1)c1ccccc1o2

STK567908
Synonyms: 2- [(Z)- {1- [2- (3,4- dimethoxyphenyl)ethyl]- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene}methyl]- N- phenylhydrazinecarbothioamide
Smiles: COc1cc(CCN2C(=O)N=C(/C(=C/NNC(=S)Nc3ccccc3)/C2=O)O)ccc1OC

STK567913
Synonyms: N- [(4E)- 2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]- 3- (trifluoromethyl)aniline
Smiles: CCc1[nH]/c(=N/c2cccc(c2)C(F)(F)F)/c2c(n1)c1ccccc1o2

STK567928
Synonyms: 5- bromo- N- [(2E)- 6- fluoro- 1,3- benzothiazol- 2(3H)- ylidene]naphthalene- 1- carboxamide
Smiles: Fc1ccc2c(c1)s/c(=N/C(=O)c1cccc3c1cccc3Br)/[nH]2

STK567944
Synonyms: 4- (4- methoxyphenyl)- 3- (4- methylphenyl)- 5- [(4- nitrobenzyl)sulfanyl]- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(cc1)C

STK567952
Synonyms: 2- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)- 3a,4,7,7a- tetrahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N=c2[nH]c(nn2C(C1)c1ccccc1)N1C(=O)C2C(C1=O)CC=CC2

STK567953
Synonyms: 2- methyl- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (propan- 2- yl)propanamide
Smiles: CC(N(C(=O)C(C)C)Cc1cc2cccc(c2[nH]c1=O)C)C

STK567956
Synonyms: 2- [4- (2- ethoxyphenoxy)- 1H- pyrazol- 5- yl]- 5- [(2- fluorobenzyl)oxy]phenol
Smiles: CCOc1ccccc1Oc1cn[nH]c1c1ccc(cc1O)OCc1ccccc1F

STK567960
Synonyms: methylN- [(3- chloro- 4- methoxyphenyl)carbamoyl]- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc(c(c1)Cl)OC

STK567961
Synonyms: 2- ({5- [(1S)- 1- amino- 3- methylbutyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2- ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(o1)[C@H](CC(C)C)N

STK567978
Synonyms: (5Z)- 6- hydroxy- 4- oxo- 5- {1- [(pyridinium- 3- ylmethyl)amino]ethylidene}- 4,5- dihydropyrimidin- 2- olate
Smiles: [O-]C1=NC(=O)/C(=C(\NCc2ccc[nH+]c2)/C)/C(=N1)O

STK567985
Synonyms: N- {4- [(2Z)- 2- (2- amino- 6- hydroxy- 4- oxopyrimidin- 5(4H)- ylidene)hydrazinyl]phenyl}acetamide
Smiles: NC1=NC(=O)/C(=N\Nc2ccc(cc2)NC(=O)C)/C(=N1)O

STK568001
Synonyms: 6- (naphthalen- 2- yl)- 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: C1Cc2c(C1)c([nH]n2)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK568004
Synonyms: 4- [7- (4- chlorophenyl)- 1,3- dimethyl- 2,4- dioxo- 1,2,3,4- tetrahydro- 8H- imidazo[2,1- f]purin- 9- ium- 8- yl]phenolate
Smiles: [O-]c1ccc(cc1)n1c(cn2c1[nH+]c1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1)Cl

STK847315
Synonyms: 7- [(4- fluorobenzyl)oxy]- 3- (3- methoxyphenoxy)- 4H- chromen- 4- one
Smiles: COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)F

STK568012
Synonyms: 4- [4- (5- chloro- 2- methoxybenzyl)piperazin- 1- yl]- N- [(2Z)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2cc(Cl)ccc2OC)/s1

STK847316
Synonyms: 2- (3- methylpiperidin- 1- yl)- 5- nitro- N- phenylpyrimidine- 4,6- diamine
Smiles: CC1CCCN(C1)c1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK568019
Synonyms: 2- (5- methyl- 7- phenyl- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)- 1H- isoindole- 1,3(2H)- dione
Smiles: CC1Nc2nc(nn2C(C1)c1ccccc1)N1C(=O)c2c(C1=O)cccc2

STK568020
Synonyms: 4,4'- {benzene- 1,2- diylbis[oxy(5- chloro- 3,6- difluoropyridine- 4,2- diyl)]}dimorpholine
Smiles: Fc1nc(N2CCOCC2)c(c(c1Cl)Oc1ccccc1Oc1c(Cl)c(F)nc(c1F)N1CCOCC1)F

STK568022
Synonyms: 2- ethyl- N- [(2E)- 5- (furan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCC(C(=O)/N=c/1\[nH]nc(s1)c1ccco1)CC

STK568032
Synonyms: (5E)- 5- (1- {[2- (4- acetylpiperazin- 1- ium- 1- yl)ethyl]amino}ethylidene)- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCC[NH+]2CCN(CC2)C(=O)C)/C)/C1=O)[O-]

STK568040
Synonyms: 3- {[(1Z)- 1- (4- hydroxy- 2,6- dioxo- 1- phenyl- 1,6- dihydropyrimidin- 5(2H)- ylidene)ethyl]amino}benzoicacid
Smiles: O=C1N=C(O)/C(=C(/Nc2cccc(c2)C(=O)O)\C)/C(=O)N1c1ccccc1

STK568041
Synonyms: (2Z)- 2- [(4- chlorophenyl)imino]- 6- (4- ethylpiperazin- 1- yl)- 5- nitro- 1,2- dihydropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1[nH]/c(=N/c2ccc(cc2)Cl)/nc(c1[N+](=O)[O-])N

STK568042
Synonyms: methylN- (2,3- dihydro- 1,4- benzodioxin- 6- ylcarbamoyl)- L- leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)CC(C)C

STK847318
Synonyms: (5Z)- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]- 3- (morpholin- 4- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2cn(c3c2cccc3)C)/C(=O)N1N1CCOCC1

STK568055
Synonyms: N- [(2,5- dimethylphenyl)carbamoyl]- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)Nc1cc(C)ccc1C)C

STK568068
Synonyms: N- (benzylcarbamoyl)- L- phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCc1ccccc1

STK568079
Synonyms: 2- methoxy- 4- ({4- [3- (trifluoromethyl)phenyl]piperazin- 4- ium- 1- yl}carbonothioyl)phenolate
Smiles: COc1cc(ccc1[O-])C(=S)N1CC[NH+](CC1)c1cccc(c1)C(F)(F)F

STK568081
Synonyms: 5- methyl- 2- (propan- 2- yl)cyclohexyl2- {[(3Z)- 3- {[(4- methylphenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoate
Smiles: CC1CCC(C(C1)OC(=O)c1ccccc1Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)C)C(C)C

STK568082
Synonyms: (2Z)- 3- {4- [(2- fluorobenzyl)oxy]- 3- methoxyphenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1cc(ccc1OCc1ccccc1F)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STK801754
Synonyms: 4- (6- methoxy- 1H- indol- 3- yl)- 1,3- thiazol- 2- amine
Smiles: COc1ccc2c(c1)[nH]cc2c1csc(n1)N

STK568087
Synonyms: 2- [(6- methoxy- 4- methylquinazolin- 2- yl)amino]- 6- methyl- 5- (3- methylbutyl)pyrimidin- 4- ol
Smiles: COc1ccc2c(c1)c(C)nc(n2)Nc1nc(C)c(c(n1)O)CCC(C)C

STK568089
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- propylpyridine- 2- carboxamide
Smiles: CCCN(C(=O)c1ccccn1)Cc1cc2cc(C)ccc2[nH]c1=O

STK568093
Synonyms: tert- butylN- {(E)- [1- (4- chlorophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}methioninate
Smiles: CSCCC(C(=O)OC(C)(C)C)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O

STK847320
Synonyms: (2E)- 2- [(2,4- dimethylphenyl)imino]- 7- (furan- 2- yl)- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Cc1ccc(c(c1)C)/N=c\1/ncc2c([nH]1)CC(CC2=O)c1ccco1

STK568097
Synonyms: 5- ({[5- (2- aminoethyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}methyl)- 6- methylpyrimidine- 2,4(1H,3H)- dione
Smiles: NCCc1nnc(o1)SCc1c(C)[nH]c(=O)[nH]c1=O

STK568099
Synonyms: (5E)- 2- hydroxy- 5- {1- [(4- methylpiperazin- 4- ium- 1- yl)amino]ethylidene}- 6- oxo- 5,6- dihydropyrimidin- 4- olate
Smiles: OC1=NC(=O)/C(=C(/NN2CC[NH+](CC2)C)\C)/C(=N1)[O-]

STK568111
Synonyms: N- (1,2,3,4- tetrahydronaphthalen- 1- ylcarbamoyl)- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)NC1CCCc2c1cccc2

STK568114
Synonyms: 4- (4- cyclohexylpiperazin- 1- yl)- 4- oxo- N- [(2Z)- 5- (propan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CC(c1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)C2CCCCC2)/s1)C

STK568116
Synonyms: (5Z)- 2,6- dihydroxy- 5- [(1- propyl- 1H- indol- 3- yl)methylidene]pyrimidin- 4(5H)- one
Smiles: CCCn1cc(c2c1cccc2)/C=C\1/C(=NC(=NC1=O)O)O

STK568118
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- pentyl- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- nitrobenzamide
Smiles: CCCCCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK568119
Synonyms: 2- [4- (4- methoxyphenyl)piperazin- 1- yl]- 4- oxo- 4H- pyrido[1,2- a]pyrimidine- 3- carbaldehyde
Smiles: COc1ccc(cc1)N1CCN(CC1)c1nc2ccccn2c(=O)c1C=O

STK568121
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- bicyclo[2.2.1]hept- 5- en- 2- ylmethylidene]- 5- (4- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)N/N=C/C1CC2CC1C=C2

STK568135
Synonyms: 7- chloro- 1- (3- fluorophenyl)- 2- (1,3,4- thiadiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1cccc(c1)C1N(c2scnn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK568137
Synonyms: (2Z)- 3- (4- methoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1ccc(cc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STK568144
Synonyms: N- (4- {[(1E)- 1- (6- hydroxy- 1,3- dimethyl- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)propylidene]amino}phenyl)acetamide
Smiles: CC/C(=N\c1ccc(cc1)NC(=O)C)/c1c(O)n(C)c(=O)n(c1=O)C

STK568152
Synonyms: N- [(3Z)- 1- ethyl- 6- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: CCn1[nH]/c(=N\C(=O)C2CCCO2)/c2c1nc1ccc(cc1c2)C

STK568154
Synonyms: 3- [7- (2,4- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]naphthalen- 2- ol
Smiles: Cc1ccc(c(c1)C)n1ncc2c1ncn1c2nc(n1)c1cc2ccccc2cc1O

STK568166
Synonyms: 2- [4- (4- bromo- 2- chlorophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Brc1ccc(c(c1)Cl)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK568180
Synonyms: 2- phenyl- 4- (4- phenylpiperazin- 1- yl)[1]benzofuro[3,2- d]pyrimidine
Smiles: c1ccc(cc1)N1CCN(CC1)c1nc(nc2c1oc1c2cccc1)c1ccccc1

STK568185
Synonyms: 3- {[(E)- (5- tert- butyl- 2- hydroxy- 3- nitrophenyl)methylidene]amino}- 2- methylquinazolin- 4(3H)- one
Smiles: [O-][N+](=O)c1cc(cc(c1O)/C=N/n1c(C)nc2c(c1=O)cccc2)C(C)(C)C

STK568188
Synonyms: 5- cyano- 6- ({2- [(4- ethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- N- (2- methoxyphenyl)- 2- methyl- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1ccccc1

STK568192
Synonyms: 6- (4- bromophenyl)- 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Brc1ccc(cc1)C1=Nn2c(SC1)nnc2c1[nH]nc2c1CCC2

STK568195
Synonyms: ethyl4- [(2- {(2,4- dichlorophenyl)[1- (2,6- dimethylphenyl)- 1H- tetrazol- 5- yl]methyl}- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindol- 7- yl)carbonyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)C1C2C=CC3(C1C(=O)N(C3)C(c1nnnn1c1c(C)cccc1C)c1ccc(cc1Cl)Cl)O2

STK568197
Synonyms: N- [(2,3- dichlorophenyl)carbamoyl]- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)Nc1cccc(c1Cl)Cl)C

STK847328
Synonyms: 2- [2- amino- 5- (2- methoxyphenoxy)pyrimidin- 4- yl]- 5- ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1nc(N)ncc1Oc1ccccc1OC

STK847330
Synonyms: 2- oxo- 2- (thiophen- 2- yl)ethyl2- oxo- 1,2- dihydroquinoline- 4- carboxylate
Smiles: O=C(c1cc(=O)[nH]c2c1cccc2)OCC(=O)c1cccs1

STK847331
Synonyms: 7- (2,5- dimethoxyphenyl)- 2- hydroxy- 9- (trifluoromethyl)thieno[2,3- b:4,5- b']dipyridin- 4(1H)- one
Smiles: COc1ccc(cc1c1nc2sc3c(c2c(c1)C(F)(F)F)[nH]c(cc3=O)O)OC

STK568220
Synonyms: (2Z)- 2- (2,4- dimethoxybenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl4- nitrobenzoate
Smiles: COc1ccc(c(c1)OC)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK568222
Synonyms: methyl(5E)- 2,2- dimethyl- 4,6- dioxo- 5- {1- [2- (phenanthridin- 6- yl)hydrazinyl]dodecylidene}cyclohexanecarboxylate
Smiles: CCCCCCCCCCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NNc1nc2ccccc2c2c1cccc2

STK568223
Synonyms: (4E)- 4- (2,3- dihydro- 1,4- benzodioxin- 6- ylimino)- 6- [(2- methylpiperidin- 1- yl)methyl]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: CC1CCCCN1Cc1nc(N)n/c(=N/c2ccc3c(c2)OCCO3)/[nH]1

STK568227
Synonyms: 6- hydroxy- 5- (2- methoxybenzyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccccc1CC1C(=O)NC(=O)N=C1O

STK568231
Synonyms: 2- (3- methyl- 4- phenyl- 1H- pyrazol- 5- yl)- 5- [(4- nitrobenzyl)oxy]phenol
Smiles: Oc1cc(ccc1c1[nH]nc(c1c1ccccc1)C)OCc1ccc(cc1)[N+](=O)[O-]

STK568234
Synonyms: 2- {[(2E)- 6- ethoxy- 4- methylquinazolin- 2(1H)- ylidene]amino}- 7- (thiophen- 2- yl)- 7,8- dihydroquinazolin- 5(6H)- one
Smiles: CCOc1ccc2c(c1)c(C)n/c(=N/c1ncc3c(n1)CC(CC3=O)c1cccs1)/[nH]2

STK847333
Synonyms: (2E)- 7- (furan- 2- yl)- 2- [(4- methoxyphenyl)imino]- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)/N=c\1/ncc2c([nH]1)CC(CC2=O)c1ccco1

STK568256
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (4- ethoxyphenyl)- N'- [(1E)- 1- (4- methoxy- 3- nitrophenyl)ethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(c(c1)[N+](=O)[O-])OC)\C

STK568259
Synonyms: (2S)- 2- amino- N'- [(E)- quinoxalin- 6- ylmethylidene]propanehydrazide(non- preferredname)
Smiles: O=C([C@@H](N)C)N/N=C/c1ccc2c(c1)nccn2

STK568263
Synonyms: 6- amino- 3- (propan- 2- yl)- 4- (pyridin- 3- yl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccnc1)c([nH]n2)C(C)C

STK568264
Synonyms: N- [1- (4- chlorophenyl)- 4- hydroxy- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]thiophene- 2- carboxamide
Smiles: Clc1ccc(cc1)n1c(=O)nc(c2c1NC(=O)C2(NC(=O)c1cccs1)C(F)(F)F)O

STK568266
Synonyms: ethyl(2Z)- 10- methyl- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- 2- {[(3,4,5- triethoxyphenyl)carbonyl]imino}- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cc(OCC)c(c(c1)OCC)OCC)CCCOC(C)C)nc1n(c2=O)cccc1C

STK568269
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- (ethoxycarbonyl)- 6- ethyl- 4- oxo- 8- [(1,3,3- trimethyl- 6- azoniabicyclo[3.2.1]oct- 6- yl)methyl]- 4H- chromen- 7- olate
Smiles: CCOC(=O)c1oc2c(C[NH+]3CC4(CC3CC(C4)(C)C)C)c([O-])c(cc2c(=O)c1c1ccc2c(c1)OCCO2)CC

STK847334
Synonyms: 3- [4- (methoxycarbonyl)phenoxy]- 4- oxo- 4H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)N1CCOCC1

STK568282
Synonyms: 5- [(2- fluorobenzyl)oxy]- 2- (3- methyl- 4- phenyl- 1H- pyrazol- 5- yl)phenol
Smiles: Fc1ccccc1COc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1)C

STK568287
Synonyms: 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 8- (propylamino)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(NCCC)nc2c1c(O)nc(=O)n2C

STK847335
Synonyms: 3- (4- chlorophenyl)- 7- hydroxy- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: Clc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)O

STK568297
Synonyms: 4- {[(E)- (2- methoxynaphthalen- 1- yl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1ccc2c(c1/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1)cccc2

STK568305
Synonyms: (2E)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]- 3- (naphthalen- 1- yl)prop- 2- enoate
Smiles: [O-]C(=O)/C(=C\c1cccc2c1cccc2)/Sc1[nH]nc([nH+]1)C

STK568306
Synonyms: 3- methyl- N- [(2Z)- 3- [(3- methylbutyl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: CC(CCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)C)C

STK568308
Synonyms: (5Z)- 5- {[(1,3- benzodioxol- 5- ylmethyl)amino]methylidene}- 6- hydroxy- 3- (3- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1cccc(c1)N1C(=O)N=C(/C(=C/NCc2ccc3c(c2)OCO3)/C1=O)O

STK568311
Synonyms: N- [1- benzyl- 4- hydroxy- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]cyclopropanecarboxamide
Smiles: O=C(C1CC1)NC1(C(=O)Nc2c1c(O)nc(=O)n2Cc1ccccc1)C(F)(F)F

STK847339
Synonyms: 7- ethoxy- 3- phenyl- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CCOc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F

STK568317
Synonyms: 6- (4- benzylpiperidin- 1- yl)- 2- (3,5- dimethylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CC1CC(C)CN(C1)c1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK568318
Synonyms: N'- {(Z)- [1- (3,4- dimethylphenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}pyridine- 4- carbohydrazide
Smiles: O=C1N=C(O)/C(=C/NNC(=O)c2ccncc2)/C(=O)N1c1ccc(c(c1)C)C

STK568327
Synonyms: 5- chloro- 2- methoxy- N- [(4Z)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(1H)- ylidene]aniline
Smiles: COc1ccc(cc1/N=c/1\nc[nH]c2c1c1CCCCc1s2)Cl

STK847341
Synonyms: N- [(2Z)- 3- [(3- methoxypropyl)amino]quinoxalin- 2(1H)- ylidene]- 2,4- dimethylbenzenesulfonamide
Smiles: COCCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1C)C

STK568334
Synonyms: 1,3- benzodioxol- 5- ol
Smiles: Oc1ccc2c(c1)OCO2

STK568336
Synonyms: 7- [(4- fluorobenzyl)oxy]- 2- methyl- 3- phenyl- 4H- chromen- 4- one
Smiles: Fc1ccc(cc1)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C

STK568345
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1cc(OC)ccc1OC)C

STK568358
Synonyms: 5- (2,6- dimethylmorpholin- 4- yl)- 2- (furan- 2- yl)- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1N1CC(C)OC(C1)C)c1ccco1

STK568360
Synonyms: 2- (3- methylpiperidin- 1- yl)- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: CC1CCCN(C1)c1nc(N2CCCC2)c(c(n1)N)[N+](=O)[O-]

STK568367
Synonyms: {2- [(E)- {[3- (5- methyl- 1H- pyrazol- 3- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccccc1/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)C

STK568369
Synonyms: 3- (3- nitrophenyl)- 3- [(phenylcarbonyl)amino]propanoicacid
Smiles: OC(=O)CC(c1cccc(c1)[N+](=O)[O-])NC(=O)c1ccccc1

STK568381
Synonyms: 4- [4- (4- fluorophenyl)piperazin- 1- yl]- N- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2ccc(cc2)F)/s1)C

STK568384
Synonyms: 2- {[5- (2- aminoethyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}acetamide
Smiles: NCCc1nnc(o1)SCC(=O)N

STK568386
Synonyms: (5E)- 5- {[1- (3- chloropropyl)- 2,3- dihydro- 1H- indol- 5- yl]methylidene}- 6- hydroxy- 3- phenylpyrimidine- 2,4(3H,5H)- dione
Smiles: ClCCCN1CCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O

STK568393
Synonyms: 2- (2- methoxyphenyl)- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccccc1c1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STK568395
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl[4- (propan- 2- yl)phenyl]methanone
Smiles: CC(c1ccc(cc1)C(=O)C1CN2CCC1CC2)C

STK847344
Synonyms: 8- [(dimethylammonio)methyl]- 3- (2- ethoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: CCOc1ccccc1Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](C)C)[O-]

STK568399
Synonyms: N~4~- (3- chlorophenyl)- N~2~- methyl- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: Clc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C

STK568401
Synonyms: (5E)- 1- cyclopropyl- 5- {[(4- fluorophenyl)amino]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Fc1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)C1CC1)S

STK568409
Synonyms: 2- ({5- [(1S)- 1- amino- 2- methylpropyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2,3- dimethylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(o1)[C@H](C(C)C)N

STK568412
Synonyms: 4- {4- [(4- chlorophenyl)sulfonyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STK568415
Synonyms: (1S)- 1- {5- [(2,4- dichlorobenzyl)sulfonyl]- 1,3,4- oxadiazol- 2- yl}- 2- methylpropan- 1- amine
Smiles: CC([C@@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1Cl)Cl)N)C

STK568417
Synonyms: 2- ({(2Z)- 6- amino- 2- [(3- methoxyphenyl)imino]- 5- nitro- 2,3- dihydropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1[nH]/c(=N/c2cccc(c2)OC)/nc(c1[N+](=O)[O-])N

STK568422
Synonyms: 2- ({5- [(1S)- 1- amino- 2- (1H- indol- 3- yl)ethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2,6- dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK568429
Synonyms: 4- oxo- 4- [4- (phenylsulfonyl)piperazin- 1- yl]- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)/s1

STK847346
Synonyms: N- [4- (dimethylamino)benzyl]- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 3,6- dimethyl- 1- benzofuran- 2- carboxamide
Smiles: Cc1ccc2c(c1)oc(c2C)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C

STK568440
Synonyms: (8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl4- fluorobenzoate
Smiles: Fc1ccc(cc1)C(=O)OCc1cc2cccc(c2[nH]c1=O)C

STK568444
Synonyms: 3- (2,4- dimethylphenyl)- 6- hydroxy- 1',6'- dimethyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O

STK568451
Synonyms: 10- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 5- ol
Smiles: CC1CCc2c(C1)c1c(s2)nc(n2c1ncn2)O

STK568456
Synonyms: 7- (3- chlorophenyl)- 2- (2- phenylethyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1cccc(c1)n1ncc2c1ncn1c2nc(n1)CCc1ccccc1

STK568463
Synonyms: 3- {[(1E)- 1- (4- hydroxy- 2,6- dioxo- 1- phenyl- 1,6- dihydropyrimidin- 5(2H)- ylidene)propyl]amino}benzoicacid
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)O)/Nc1cccc(c1)C(=O)O

STK568464
Synonyms: 4- [2- ({(1E)- 1- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}amino)ethyl]- N- methylpiperazine- 1- carbothioamide
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCCN2CCN(CC2)C(=S)NC)/C)/C1=O)O

STK568466
Synonyms: 2- chloro- N- (2- methylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]acetamide
Smiles: ClCC(=O)N(c1ccccc1C)Cc1cc(=O)[nH]c2c1cccc2

STK568477
Synonyms: N- [(2Z)- 5- (furan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- (2- methoxyphenoxy)acetamide
Smiles: COc1ccccc1OCC(=O)/N=c\1/[nH]nc(s1)c1ccco1

STK568479
Synonyms: N- (propan- 2- ylcarbamoyl)- L- phenylalanine
Smiles: CC(NC(=O)N[C@H](C(=O)O)Cc1ccccc1)C

STK568485
Synonyms: (2Z,4E)- 2- (1H- benzimidazol- 2- yl)- 3- hydroxy- 5- phenylpenta- 2,4- dienenitrile
Smiles: N#C/C(=C(\C=C\c1ccccc1)/O)/c1nc2c([nH]1)cccc2

STK568487
Synonyms: 4- {4- [2- (4- methylphenoxy)ethyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: Cc1ccc(cc1)OCCN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STK568490
Synonyms: 4- {[(E)- (3,4- dichlorophenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Clc1ccc(cc1Cl)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STK568495
Synonyms: ethyl6- tert- butyl- 2- ({(E)- 2- cyano- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(N/C=C(/c2scc(n2)c2cccc(c2)[N+](=O)[O-])\C#N)sc2c1CCC(C2)C(C)(C)C

STK568516
Synonyms: (1S)- 1- {5- [(3- methylbenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- phenylethanamine
Smiles: Cc1cccc(c1)CSc1nnc(o1)[C@H](Cc1ccccc1)N

STK568521
Synonyms: 2,6- bis(3,5- dimethylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CC1CC(C)CN(C1)c1nc(N)c(c(n1)N1CC(C)CC(C1)C)[N+](=O)[O-]

STK568533
Synonyms: N- {(2S)- 1- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]- 3- methyl- 1- oxobutan- 2- yl}- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: CC([C@@H](C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C

STK568537
Synonyms: 5- methoxy- 2- (7- phenyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)phenol
Smiles: COc1ccc(c(c1)O)c1nn2c(n1)c1cnn(c1nc2)c1ccccc1

STK568538
Synonyms: (2E)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]- 3- {5- [3- (trifluoromethyl)phenyl]furan- 2- yl}prop- 2- enoate
Smiles: [O-]C(=O)/C(=C\c1ccc(o1)c1cccc(c1)C(F)(F)F)/Sc1[nH]nc([nH+]1)C

STK568539
Synonyms: 4- {[4- (3- chlorophenyl)piperazin- 4- ium- 1- yl]carbonothioyl}- 2- methoxyphenolate
Smiles: COc1cc(ccc1[O-])C(=S)N1CC[NH+](CC1)c1cccc(c1)Cl

STK568541
Synonyms: 2- {4- [5- methyl- 2- (propan- 2- yl)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: Cc1ccc(c(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C(C)C

STK568548
Synonyms: 5- [(4- chlorobenzyl)oxy]- 2- [4- (2- methoxyphenoxy)- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccccc1Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)Cl

STK568549
Synonyms: N- (biphenyl- 4- yl)- 3- hydroxy- 1,2- dihydropyrido[1,2- a]benzimidazole- 4- carboxamide
Smiles: OC1=C(C(=O)Nc2ccc(cc2)c2ccccc2)c2n(CC1)c1c(n2)cccc1

STK568552
Synonyms: 3- (5- methyl- 1H- pyrazol- 3- yl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1[nH]nc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK568556
Synonyms: (2S)- 2- amino- N'- [(E)- quinoxalin- 5- ylmethylidene]propanehydrazide(non- preferredname)
Smiles: O=C([C@@H](N)C)N/N=C/c1cccc2c1nccn2

STK568560
Synonyms: 2- {5- [(2- chlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}ethanamine
Smiles: NCCc1nnc(o1)SCc1ccccc1Cl

STK568579
Synonyms: (2Z)- 2- [(4,6- dimethylpyrimidin- 2- yl)imino]- 6- hydroxy- 3- [3- (trifluoromethyl)phenyl]- 2,3,4,5- tetrahydropyrimidine- 4- carboxylicacid
Smiles: OC(=O)C1CC(=N/C(=N\c2nc(C)cc(n2)C)/N1c1cccc(c1)C(F)(F)F)O

STK568600
Synonyms: (4E)- 5- (2,3- dimethoxyphenyl)- 4- [hydroxy(3- methoxyphenyl)methylidene]- 1- (pyridin- 2- yl)pyrrolidine- 2,3- dione
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)c1ccccn1)/O

STK568615
Synonyms: N- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- {4- [(4- methoxyphenyl)sulfonyl]piperazin- 1- yl}- 4- oxobutanamide
Smiles: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

STK568620
Synonyms: (2E)- 3- {4- [2- (4- chlorophenyl)- 2- oxoethoxy]- 3- methoxyphenyl}- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCC(=O)c1ccc(cc1)Cl)/c1scc(n1)c1cc2ccccc2oc1=O

STK568621
Synonyms: N- [(2- methoxybenzyl)carbamoyl]- L- leucine
Smiles: COc1ccccc1CNC(=O)N[C@H](C(=O)O)CC(C)C

STK568629
Synonyms: 3- {[(3,4- dimethoxyphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylicacid
Smiles: COc1cc(ccc1OC)S(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)O

STK568633
Synonyms: (2E,5Z)- 2- {[4- chloro- 2- (trifluoromethyl)phenyl]imino}- 5- (4- hydroxy- 3- methoxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: COc1cc(ccc1O)/C=C/1\S/C(=N/c2ccc(cc2C(F)(F)F)Cl)/NC1=O

STK568635
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- ylcarbamoyl)- L- alanine
Smiles: O=C(N[C@H](C(=O)O)C)Nc1ccc2c(c1)OCCO2

STK568640
Synonyms: methyl{(5Z)- 5- [(phenylcarbonyl)imino]- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl}acetate
Smiles: COC(=O)Cc1n[nH]/c(=N/C(=O)c2ccccc2)/s1

STK568644
Synonyms: 3- [(tert- butylamino)methyl]- 6- methylquinolin- 2(1H)- one
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CNC(C)(C)C

STK847356
Synonyms: N- {(2E)- 3- cyano- 10- methyl- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene}- 3- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)[N+](=O)[O-])CCCOC(C)C)nc1n(c2=O)cccc1C

STK568652
Synonyms: 7- (4- chlorophenyl)- 3- (3,4- dichlorophenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccc(cc1)n1ncc2c1ncn1c2nnc1c1ccc(c(c1)Cl)Cl

STK568653
Synonyms: N- [(2E)- 5- (4- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- phenoxyacetamide
Smiles: COc1ccc(cc1)c1n[nH]/c(=N\C(=O)COc2ccccc2)/s1

STK847359
Synonyms: 2- [2- amino- 5- (4- methoxyphenyl)pyrimidin- 4- yl]- 5- [(2- fluorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccccc1F)N

STK568659
Synonyms: 1- cyclohexyl- 4- (2- methoxyphenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: COc1ccccc1C1SCC(=Nc2c1c(O)nn2C1CCCCC1)O

STK568661
Synonyms: methyl[(2E)- 5- (3- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: COc1cccc(c1)c1n[nH]/c(=N\C(=O)OC)/s1

STK568662
Synonyms: (5E)- 5- [(1- tert- butyl- 1H- pyrrol- 2- yl)methylidene]- 6- hydroxy- 3- (4- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cccn2C(C)(C)C)/C1=O)O

STK847360
Synonyms: methyl4- [(5- {2- hydroxy- 4- [(2- methylprop- 2- en- 1- yl)oxy]phenyl}- 1H- pyrazol- 4- yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1cn[nH]c1c1ccc(cc1O)OCC(=C)C

STK847361
Synonyms: 2- [(4E)- [1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylideneamino]phenol
Smiles: Oc1ccccc1/N=c\1/[nH]cnc2c1oc1c2cccc1

STK568682
Synonyms: 2- [4- (4- tert- butyl- 2- methylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Cc1cc(ccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C(C)(C)C

STK568685
Synonyms: 4- {[(E)- (2,4- dihydroxyphenyl)methylidene]amino}- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(=S)[nH]nc1c1[nH]nc2c1CCC2

STK568686
Synonyms: methyl[(2Z)- 5- (4- chlorobenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: COC(=O)/N=c\1/[nH]nc(s1)Cc1ccc(cc1)Cl

STK568694
Synonyms: (2E)- 3- phenyl- N- [(2Z)- 5- [(E)- 2- phenylethenyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]prop- 2- enamide
Smiles: O=C(/N=c\1/[nH]nc(s1)/C=C/c1ccccc1)/C=C/c1ccccc1

STK568702
Synonyms: 2- [4- (4- propoxyphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: CCCOc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK568709
Synonyms: 2- {4- [(4- chlorobenzyl)oxy]phenyl}- 5- (morpholin- 4- yl)- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1N1CCOCC1)c1ccc(cc1)OCc1ccc(cc1)Cl

STK568716
Synonyms: N- [(2Z)- 3- [(2- ethylphenyl)amino]quinoxalin- 2(1H)- ylidene]- 3,4- dimethylbenzenesulfonamide
Smiles: CCc1ccccc1Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(c(c1)C)C

STK568721
Synonyms: (2- {(Z)- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}phenoxy)aceticacid
Smiles: C=CCN1C(=O)N=C(/C(=C/c2ccccc2OCC(=O)O)/C1=O)O

STK568732
Synonyms: (3S,3a'R,8a'S,8b'S)- 5- methoxy- 2'- (2- methoxy- 5- nitrophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: COc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1OC)[N+](=O)[O-]

STK568734
Synonyms: 2- ({5- [(1S)- 1- amino- 2- (1H- indol- 3- yl)ethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (4- bromophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK568739
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCc1ccc(cc1)F)C

STK568743
Synonyms: N- (butan- 2- yl)- 2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CCC(Nc1nc(nc2c1oc1c2cccc1)c1ccccc1)C

STK847368
Synonyms: ethyl4- [4- (4- methoxyphenyl)- 3- methyl- 6- oxo- 2,6- dihydropyrrolo[3,4- c]pyrazol- 5(4H)- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1c1ccc(cc1)OC)c([nH]n2)C

STK568746
Synonyms: 12- (3,4- dimethoxyphenyl)- 2- [(4- methylphenoxy)methyl]- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)COc1ccc(cc1)C)[O-]

STK568749
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- propyl- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- methyl- 3- nitrobenzamide
Smiles: CCCn1/c(=N/C(=O)c2cccc(c2C)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK568750
Synonyms: 2- [(2,6- dichlorobenzyl)sulfanyl]pyrimidin- 4- ol
Smiles: Oc1ccnc(n1)SCc1c(Cl)cccc1Cl

STK568754
Synonyms: [(8- chloro[1]benzofuro[3,2- d]pyrimidin- 4- yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1ncnc2c1oc1c2cc(cc1)Cl

STK568755
Synonyms: N- (propylcarbamoyl)- L- phenylalanine
Smiles: CCCNC(=O)N[C@H](C(=O)O)Cc1ccccc1

STK568756
Synonyms: 4- methyl- N- [(2Z)- 3- [(tetrahydrofuran- 2- ylmethyl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1NCC1CCCO1

STK568760
Synonyms: N- [(2Z)- 3- [(3- chloro- 4- fluorophenyl)amino]quinoxalin- 2(1H)- ylidene]- 3- methylbenzenesulfonamide
Smiles: Cc1cccc(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(c(c1)Cl)F

STK568761
Synonyms: N- butyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]pyridine- 2- carboxamide
Smiles: CCCCN(C(=O)c1ccccn1)Cc1cc2cc(C)ccc2[nH]c1=O

STK568763
Synonyms: 2- amino- 10- hydroxy- 4- methyl- 11- (thiophen- 2- yl)- 7,8,9,11- tetrahydropyrido[2',3':4,5]thieno[2,3- b]quinoline- 3- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1C)sc1c2C(c2cccs2)C2=C(O)CCCC2=N1

STK568778
Synonyms: (E)- [2- (4- hydroxyphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](4- propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)Cc1ccc[nH+]c1)/[O-]

STK568784
Synonyms: (2- benzyl- 1H- 3,1- benzimidazol- 3- ium- 1- yl)acetate
Smiles: [O-]C(=O)Cn1c(Cc2ccccc2)[nH+]c2c1cccc2

STK568789
Synonyms: 1- (4- {4- [(4E)- [1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylideneamino]phenyl}piperazin- 1- yl)ethanone
Smiles: CC(=O)N1CCN(CC1)c1ccc(cc1)/N=c\1/[nH]cnc2c1oc1c2cccc1

STK568790
Synonyms: (5E)- 5- [1- (2,3- dihydro- 1H- inden- 5- ylamino)propylidene]- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1ccc2c(c1)CCC2

STK568793
Synonyms: N- (2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)- L- methionine
Smiles: CSCC[C@H](C(=O)O)Nc1nc(CC)nc2c1oc1c2cccc1

STK568808
Synonyms: (1S)- 2- phenyl- 1- (5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)ethanamine
Smiles: N[C@H](c1nnc(o1)SC/C=C/c1ccccc1)Cc1ccccc1

STK568813
Synonyms: 2- ethyl- N- (2- methylpropyl)[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CCc1nc(NCC(C)C)c2c(n1)c1ccccc1o2

STK568826
Synonyms: 4- ethyl2- prop- 2- en- 1- yl5- ({(Z)- 2- cyano- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)- 3- methylthiophene- 2,4- dicarboxylate
Smiles: C=CCOC(=O)c1sc(c(c1C)C(=O)OCC)N/C=C(\c1scc(n1)c1ccc(cc1)[N+](=O)[O-])/C#N

STK568839
Synonyms: 6- (3,5- dimethylpiperidin- 1- yl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4- diamine
Smiles: CC1CC(C)CN(C1)c1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK568842
Synonyms: N- [1- hydrazinyl- 3- (1H- indol- 3- yl)- 1- oxopropan- 2- yl]- 4- (2- methylpropoxy)benzamide(non- preferredname)
Smiles: NNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c1ccc(cc1)OCC(C)C

STK568843
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)NCc1ccco1)C

STK568848
Synonyms: 2- (3,4- dimethoxyphenyl)- 5- {[2- (4- methoxyphenyl)ethyl]amino}- 1,3- oxazole- 4- carbonitrile
Smiles: COc1ccc(cc1)CCNc1oc(nc1C#N)c1ccc(c(c1)OC)OC

STK568851
Synonyms: 6- [(5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]hexanoicacid
Smiles: OC(=O)CCCCCN1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O

STK568868
Synonyms: (2Z)- 2- (3- nitrobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl2- chlorobenzoate
Smiles: O=C1/C(=C/c2cccc(c2)[N+](=O)[O-])/Oc2c1ccc(c2)OC(=O)c1ccccc1Cl

STK568872
Synonyms: 2- [(E)- {[3- (6- chloro- 4- phenylquinolin- 2- yl)phenyl]imino}methyl]benzonitrile
Smiles: N#Cc1ccccc1/C=N/c1cccc(c1)c1nc2ccc(cc2c(c1)c1ccccc1)Cl

STK568875
Synonyms: 2- [4- (2- ethylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: CCc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK847375
Synonyms: 2- [(4- acetylphenyl)amino]- 4H- pyrido[3,2- e][1,3]thiazin- 4- one
Smiles: CC(=O)c1ccc(cc1)Nc1nc(=O)c2c(s1)nccc2

STK568877
Synonyms: 4- chloro- N- [(2Z)- 5- [2- (morpholin- 4- yl)ethyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: O=C(c1ccc(cc1)Cl)/N=c\1/[nH]nc(s1)CCN1CCOCC1

STK568887
Synonyms: 2- (4- fluorophenoxy)- N- [(2Z)- 5- (furan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]acetamide
Smiles: Fc1ccc(cc1)OCC(=O)/N=c\1/[nH]nc(s1)c1ccco1

STK568888
Synonyms: 1- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 4- (4- methylphenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: Cc1ccc(cc1)C1SCC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)O

STK568889
Synonyms: N- [(2Z)- 3- (3- chloro- 2- methylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1cccc(c1C)Cl)CS(=O)(=O)C2

STK568891
Synonyms: (4Z)- 4- [(2- methoxyphenyl)imino]- 6- [(4- methylpiperidin- 1- yl)methyl]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN1CCC(CC1)C

STK568892
Synonyms: ethyl(2Z)- 10- methyl- 5- oxo- 1- pentyl- 2- {[(3,4,5- triethoxyphenyl)carbonyl]imino}- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCCCCn1/c(=N\C(=O)c2cc(OCC)c(c(c2)OCC)OCC)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK568893
Synonyms: ethyl(2Z)- 10- methyl- 2- {[(4- methyl- 3- nitrophenyl)carbonyl]imino}- 5- oxo- 1- (tetrahydrofuran- 2- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC1CCCO1)nc1n(c2=O)cccc1C

STK568895
Synonyms: (8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl(4- methoxyphenyl)acetate
Smiles: COc1ccc(cc1)CC(=O)OCc1cc2cccc(c2[nH]c1=O)C

STK568903
Synonyms: 2- ({5- [(1S)- 1- amino- 3- methylbutyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2,5- dimethylphenyl)acetamide
Smiles: CC(C[C@@H](c1nnc(o1)SCC(=O)Nc1cc(C)ccc1C)N)C

STK568905
Synonyms: [(2,12,12- trimethyl- 12,13- dihydro- 10H- pyrano[4',3':4,5]thieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidin- 6- ium- 7- yl)sulfanyl]acetate
Smiles: [O-]C(=O)CSc1[nH+]nc2n1c1sc3c(c1c1n2nc(n1)C)CC(OC3)(C)C

STK568910
Synonyms: (E)- 2,3- dihydro- 1,4- benzodioxin- 6- yl[2- (3- hydroxyphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene]methanolate
Smiles: Oc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK568914
Synonyms: N- (2- {[(1E)- 1- (6- hydroxy- 1,3- dimethyl- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)propylidene]amino}phenyl)acetamide
Smiles: CC/C(=N\c1ccccc1NC(=O)C)/c1c(O)n(C)c(=O)n(c1=O)C

STK568923
Synonyms: 3- [5- (4- tert- butylphenyl)- 1,2,4- oxadiazol- 3- yl]- 8- methylquinolin- 2(1H)- one
Smiles: O=c1[nH]c2c(C)cccc2cc1c1noc(n1)c1ccc(cc1)C(C)(C)C

STK568924
Synonyms: N- (2- bromo- 4,6- difluorophenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(F)cc(cc1Br)F)CSc1nnc(n1Cc1ccco1)c1cccnc1

STK847380
Synonyms: (2Z)- 2- [(4- ethylphenyl)imino]- 7- methyl- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: CCc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)C

STK568928
Synonyms: 5- [(2- fluorobenzyl)oxy]- 2- [4- (4- methoxyphenyl)- 1H- pyrazol- 5- yl]phenol
Smiles: COc1ccc(cc1)c1cn[nH]c1c1ccc(cc1O)OCc1ccccc1F

STK568933
Synonyms: (4Z)- 6- (3,4- dihydroisoquinolin- 2(1H)- ylmethyl)- 4- (phenylimino)- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Nc1nc(CN2CCc3c(C2)cccc3)[nH]/c(=N/c2ccccc2)/n1

STK568934
Synonyms: 4- [4- (diphenylmethyl)piperazin- 1- yl]- N- [(2Z)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)/s1

STK568941
Synonyms: N- [(2E)- 5- (2- methoxyethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]tricyclo[3.3.1.1~3,7~]decane- 1- carboxamide
Smiles: COCCc1n[nH]/c(=N\C(=O)C23CC4CC(C3)CC(C2)C4)/s1

STK568950
Synonyms: 3- (4- ethoxyphenyl)- 6- (3- nitrophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1cccc(c1)[N+](=O)[O-]

STK568952
Synonyms: (E)- N- (4,5,6,7- tetrahydro- 1,3- benzothiazol- 2(3H)- ylidene)- 1- (thiophen- 2- ylcarbonyl)prolinamide
Smiles: O=C(C1CCCN1C(=O)c1cccs1)/N=c\1/sc2c([nH]1)CCCC2

STK568961
Synonyms: 2- [2- amino- 5- (4- methoxyphenoxy)- 6- methylpyrimidin- 4- yl]- 5- ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1nc(N)nc(c1Oc1ccc(cc1)OC)C

STK568971
Synonyms: 2- hydroxy- 4- {(E)- [5- iminio- 7- oxo- 2- (pyridin- 3- yl)- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}phenolate
Smiles: O=C1N=c2sc(nn2C(=[NH2+])/C/1=C\c1ccc(c(c1)O)[O-])c1cccnc1

STK568978
Synonyms: N- [(5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- methylbenzamide
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1NC(=O)c1ccccc1C

STK568980
Synonyms: N- (1,2,3,4- tetrahydronaphthalen- 1- ylcarbamoyl)- L- phenylalanine
Smiles: O=C(NC1CCCc2c1cccc2)N[C@H](C(=O)O)Cc1ccccc1

STK568985
Synonyms: 2- [4- (4- ethylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: CCc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK568987
Synonyms: 1- (4- hydroxy- 6- {[(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]methyl}pyrimidin- 2- yl)- 3- [2- (phenylsulfanyl)phenyl]guanidine
Smiles: N=C(Nc1ccccc1Sc1ccccc1)Nc1nc(O)cc(n1)CSc1nnc(s1)C

STK568989
Synonyms: ethyl(2Z)- 5- oxo- 1- pentyl- 2- {[(3,4,5- triethoxyphenyl)carbonyl]imino}- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCCCCn1/c(=N\C(=O)c2cc(OCC)c(c(c2)OCC)OCC)/c(cc2c1nc1ccccn1c2=O)C(=O)OCC

STK847382
Synonyms: 1- (2- imino- 3- propyl- 2,3- dihydro- 1H- benzimidazol- 1- yl)- 3- (2- methylphenoxy)propan- 2- ol
Smiles: CCCn1c(=N)n(c2c1cccc2)CC(COc1ccccc1C)O

STK568999
Synonyms: methyl3- {[(1E)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)ethyl]amino}benzoate
Smiles: COC(=O)c1cccc(c1)N/C(=C/1\C(=NC(=NC1=O)O)O)/C

STK569011
Synonyms: (2E)- 2- [(4- bromophenyl)imino]- 4- methyl- N- phenyl- 2,3- dihydro- 1,3- thiazole- 5- carboxamide
Smiles: Brc1ccc(cc1)/N=c\1/sc(c([nH]1)C)C(=O)Nc1ccccc1

STK569020
Synonyms: (5E)- 3- tert- butyl- 5- {[1- (3- chloropropyl)- 2,3- dihydro- 1H- indol- 5- yl]methylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: ClCCCN1CCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)C(C)(C)C)O

STK569023
Synonyms: 7- (3,4- dichlorophenyl)- 3- (2- phenylethyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccc(cc1Cl)n1ncc2c1ncn1c2nnc1CCc1ccccc1

STK569028
Synonyms: 1- [4- (3- fluorophenyl)- 6- hydroxy- 3,6- dimethyl- 4,5,6,7- tetrahydro- 1H- indazol- 5- yl]ethanone
Smiles: CC(=O)C1C(c2cccc(c2)F)c2c(CC1(C)O)[nH]nc2C

STK569030
Synonyms: 2- amino- 1- {[(E)- (3- hydroxyphenyl)methylidene]amino}- N- [3- (propan- 2- yloxy)propyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CC(OCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1cccc(c1)O)C

STK569032
Synonyms: 6- cyclohexyl- 3- (5- phenyl- 1H- pyrazol- 3- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: C1CCC(CC1)c1nn2c(s1)nnc2c1n[nH]c(c1)c1ccccc1

STK569035
Synonyms: 3- (4- chloro- 2- nitrophenyl)- 2- [(E)- 2- (furan- 2- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])n1c(/C=C/c2ccco2)nc2c(c1=O)cccc2

STK569038
Synonyms: methylN- {[4- (trifluoromethoxy)phenyl]carbamoyl}- D- phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)OC(F)(F)F

STK569049
Synonyms: 2- [(8- ethoxy- 4- methylquinazolin- 2- yl)amino]- 5,6,7,8- tetrahydroquinazolin- 4- ol
Smiles: CCOc1cccc2c1nc(Nc1nc(O)c3c(n1)CCCC3)nc2C

STK847386
Synonyms: 7- methyl- 3- [5- (2- methylphenyl)- 1,2,4- oxadiazol- 3- yl]quinolin- 2(1H)- one
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)c1noc(n1)c1ccccc1C

STK569058
Synonyms: methyl{4- [bis(2,6- dioxo- 4- phenylcyclohexyl)methyl]phenoxy}acetate
Smiles: COC(=O)COc1ccc(cc1)C(C1C(=O)CC(CC1=O)c1ccccc1)C1C(=O)CC(CC1=O)c1ccccc1

STK569061
Synonyms: 4- cyano- 3- methyl- 2- (4- methylbenzyl)pyrido[1,2- a][3,1]benzimidazol- 5- ium- 1- olate
Smiles: N#Cc1c(C)c(Cc2ccc(cc2)C)c(n2c1[nH+]c1c2cccc1)[O-]

STK569062
Synonyms: N- [(2Z)- 3- [(3- chloro- 4- methylphenyl)amino]quinoxalin- 2(1H)- ylidene]- 2,5- dimethylbenzenesulfonamide
Smiles: Cc1ccc(c(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(c(c1)Cl)C)C

STK569067
Synonyms: (2E)- 3- [5- (2- cyanophenyl)furan- 2- yl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: N#Cc1ccccc1c1ccc(o1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STK569069
Synonyms: (2Z)- N~6~- (3- chlorophenyl)- 2- [(3- fluorophenyl)imino]- 5- nitro- 1,2- dihydropyrimidine- 4,6- diamine
Smiles: Clc1cccc(c1)Nc1[nH]/c(=N/c2cccc(c2)F)/nc(c1[N+](=O)[O-])N

STK569074
Synonyms: 3- (2,4- dimethoxyphenyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- imine5,5- dioxide
Smiles: COc1cc(OC)ccc1N1C(=N)SC2C1CS(=O)(=O)C2

STK569075
Synonyms: 8- (3- chlorophenyl)- 1,3- dimethyl- 7- (3- nitrophenyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Clc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1cccc(c1)[N+](=O)[O-]

STK569076
Synonyms: methyl[(2E)- 5- (4- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: COc1ccc(cc1)c1n[nH]/c(=N\C(=O)OC)/s1

STK569081
Synonyms: (2E)- 3- [4- (methoxycarbonyl)phenyl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COC(=O)c1ccc(cc1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STK569084
Synonyms: N,N- dimethyl- 2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CN(c1nc(nc2c1oc1c2cccc1)c1ccccc1)C

STK569088
Synonyms: butyl4- {[(3Z)- 3- {[(4- fluorophenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)F

STK847387
Synonyms: 3- (4- methoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yldimethylcarbamate
Smiles: COc1ccc(cc1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N(C)C

STK569092
Synonyms: N- [(2Z)- 3- (butylamino)quinoxalin- 2(1H)- ylidene]- 4- fluorobenzenesulfonamide
Smiles: CCCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)F

STK569093
Synonyms: ethyl(2Z)- 10- methyl- 2- {[(3- nitrophenyl)carbonyl]imino}- 5- oxo- 1- propyl- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cccc(c1)[N+](=O)[O-])CCC)nc1n(c2=O)cccc1C

STK569094
Synonyms: N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (propan- 2- yl)acetamide
Smiles: CC(N(C(=O)C)Cc1cc2cccc(c2[nH]c1=O)C)C

STK569096
Synonyms: 2- [4- (3- chlorophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Clc1cccc(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK569097
Synonyms: (2E)- 2- [(3- chlorophenyl)imino]- N~4~- (4- fluorophenyl)- 5- nitro- 1,2- dihydropyrimidine- 4,6- diamine
Smiles: Fc1ccc(cc1)Nc1n/c(=N/c2cccc(c2)Cl)/[nH]c(c1[N+](=O)[O-])N

STK569098
Synonyms: 2- {[4- amino- 6- (morpholin- 4- yl)- 5- nitropyrimidin- 2- yl]amino}ethanol
Smiles: OCCNc1nc(N2CCOCC2)c(c(n1)N)[N+](=O)[O-]

STK569099
Synonyms: N- {(5Z)- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}- 2- nitrobenzamide
Smiles: S=C1S/C(=C\C=C\c2ccco2)/C(=O)N1NC(=O)c1ccccc1[N+](=O)[O-]

STK569111
Synonyms: N- [(2- ethylphenyl)carbamoyl]- L- alanine
Smiles: CCc1ccccc1NC(=O)N[C@H](C(=O)O)C

STK569114
Synonyms: ethyl(2Z)- 10- methyl- 2- {[(4- nitrophenyl)carbonyl]imino}- 5- oxo- 1- pentyl- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCCCCn1/c(=N\C(=O)c2ccc(cc2)[N+](=O)[O-])/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK569117
Synonyms: 2- ethoxy- 4- (4- {4- [2- (3- ethoxy- 4- oxidophenyl)- 4- phenyl- 1H- imidazol- 3- ium- 5- yl]phenyl}- 5- phenyl- 1H- imidazol- 3- ium- 2- yl)phenolate
Smiles: CCOc1cc(ccc1[O-])c1[nH]c(c([nH+]1)c1ccc(cc1)c1[nH]c([nH+]c1c1ccccc1)c1ccc(c(c1)OCC)[O-])c1ccccc1

STK569131
Synonyms: 2- {[(2E)- 2- [(2E)- (3,4- dichlorobenzylidene)hydrazinylidene]- 4- oxo- 1,4- dihydroquinazolin- 3(2H)- yl]oxy}- N,N- dimethylacetamide
Smiles: O=C(N(C)C)COn1/c(=N/N=C/c2ccc(c(c2)Cl)Cl)/[nH]c2c(c1=O)cccc2

STK569135
Synonyms: (4- benzylpiperazin- 4- ium- 1- yl)acetate
Smiles: [O-]C(=O)CN1CC[NH+](CC1)Cc1ccccc1

STK569138
Synonyms: 7- chloro- 5- (4- methylpiperazin- 1- yl)- 4- nitro- 2,1,3- benzoxadiazole
Smiles: CN1CCN(CC1)c1cc(Cl)c2c(c1[N+](=O)[O-])non2

STK569151
Synonyms: 4- [4- (4- nitrophenyl)piperazin- 1- yl]- 4- oxo- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STK569161
Synonyms:
Smiles: CCOc1ccc(cc1)NC(=O)N[C@@H](C(CC)C)C(=O)O

STK569162
Synonyms: N- [(5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- bromobenzamide
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1NC(=O)c1ccccc1Br

STK569165
Synonyms: (4Z)- 6- [(4- benzylpiperidin- 1- yl)methyl]- 4- (phenylimino)- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Nc1nc(CN2CCC(CC2)Cc2ccccc2)[nH]/c(=N/c2ccccc2)/n1

STK569166
Synonyms: (4E)- 4- [(4- ethoxyphenyl)(hydroxy)methylidene]- 1- (5- methyl- 1,2- oxazol- 3- yl)- 5- [4- (pentyloxy)phenyl]pyrrolidine- 2,3- dione
Smiles: CCCCCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OCC)\O)/C(=O)C(=O)N1c1noc(c1)C

STK569168
Synonyms: N- ethyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]pyridine- 2- carboxamide
Smiles: CCN(C(=O)c1ccccn1)Cc1cc2ccccc2[nH]c1=O

STK569174
Synonyms: (2Z)- N~6~- (3- chlorophenyl)- 2- [(2- fluorophenyl)imino]- 5- nitro- 1,2- dihydropyrimidine- 4,6- diamine
Smiles: Clc1cccc(c1)Nc1[nH]/c(=N/c2ccccc2F)/nc(c1[N+](=O)[O-])N

STK569175
Synonyms: 2- [4- (4- bromophenyl)- 1H- pyrazol- 5- yl]- 5- [(2,4- dichlorobenzyl)oxy]phenol
Smiles: Brc1ccc(cc1)c1cn[nH]c1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl

STK844789
Synonyms: 6- (piperidin- 1- yl)- 9H- purine
Smiles: C1CCN(CC1)c1ncnc2c1nc[nH]2

STK845237
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (pyridin- 3- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cccnc1)/c1nc2c(o1)cccc2

STK845315
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- (pyridin- 2- ylamino)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccn1)/c1nc2c(s1)cccc2

STK845464
Synonyms: (1E)- N- hydroxy- 9- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- imine
Smiles: O/N=C/1\CCCc2c1n(C)c1c2cccc1

STK845570
Synonyms: (2E)- 2- (1- methyl- 1H- benzimidazol- 2- yl)- 3- (pyridin- 2- ylamino)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccn1)/c1nc2c(n1C)cccc2

STK845699
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (pyridin- 4- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccncc1)/c1nc2c(o1)cccc2

STK569181
Synonyms: N- [4- (acetylamino)phenyl]- 2- {[5- (2- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nnc(n1Cc1ccco1)c1ccccc1Cl

STK569186
Synonyms: N- [(4E)- 2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]- 2,4- dimethoxyaniline
Smiles: COc1ccc(c(c1)OC)/N=c\1/[nH]c(CC)nc2c1oc1c2cccc1

STK569187
Synonyms: 5- nitro- N~2~- (prop- 2- en- 1- yl)- 6- (pyrrolidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: C=CCNc1nc(N2CCCC2)c(c(n1)N)[N+](=O)[O-]

STK569189
Synonyms: ethyl(2Z)- 1- butyl- 10- methyl- 2- {[(4- methyl- 3- nitrophenyl)carbonyl]imino}- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCCCn1/c(=N\C(=O)c2ccc(c(c2)[N+](=O)[O-])C)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK847392
Synonyms: (4E)- 5- (2,4- dimethoxyphenyl)- 4- [hydroxy(phenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: COc1ccc(c(c1)OC)C1NC(=O)C(=O)/C/1=C(\c1ccccc1)/O

STK569202
Synonyms: N- [(4E)- 2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]quinoxalin- 6- amine
Smiles: CCc1[nH]/c(=N/c2ccc3c(c2)nccn3)/c2c(n1)c1ccccc1o2

STK569204
Synonyms: ethyl4- [(2- chloro- 4- nitrophenyl)amino]- 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)pyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1cnc(nc1Nc1ccc(cc1Cl)[N+](=O)[O-])n1nc(cc1C)C

STK569206
Synonyms: (5E)- 3- cycloheptyl- 6- hydroxy- 5- [(2- phenylhydrazinyl)methylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C\NNc2ccccc2)/C(=O)N1C1CCCCCC1

STK569215
Synonyms: ethyl(2Z)- 1- (3- ethoxypropyl)- 10- methyl- 2- {[(4- nitrophenyl)carbonyl]imino}- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccc(cc1)[N+](=O)[O-])CCCOCC)nc1n(c2=O)cccc1C

STK569216
Synonyms: (5Z)- 5- ({[1,3- dihydroxy- 2- (hydroxymethyl)propan- 2- yl]amino}methylidene)- 6- hydroxy- 3- (4- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: OCC(N/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)(CO)CO

STK569222
Synonyms: 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 8- [(3- methylphenyl)amino]- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(Nc2cccc(c2)C)nc2c1c(O)nc(=O)n2C

STK569223
Synonyms: 3- amino- N- (4- bromophenyl)- 6- (3,4- dimethoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cc(ccc1OC)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccc(cc1)Br

STK569224
Synonyms: 2- (4- fluorophenyl)- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: Fc1ccc(cc1)c1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STK569229
Synonyms: 3- [5- (4- fluorophenyl)- 1,2,4- oxadiazol- 3- yl]- 8- methylquinolin- 2(1H)- one
Smiles: Fc1ccc(cc1)c1onc(n1)c1cc2cccc(c2[nH]c1=O)C

STK569232
Synonyms: ethyl(2Z)- 10- methyl- 2- {[(4- methyl- 3- nitrophenyl)carbonyl]imino}- 5- oxo- 1- propyl- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCC)nc1n(c2=O)cccc1C

STK847396
Synonyms: N,N- dimethyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CN(c1ncnc2c1oc1c2cccc1)C

STK569240
Synonyms: 5- {[(2Z)- 5,5- dioxido- 3- (prop- 2- en- 1- yl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 5- oxopentanoicacid
Smiles: C=CCN1/C(=N/C(=O)CCCC(=O)O)/SC2C1CS(=O)(=O)C2

STK569241
Synonyms: methyl[(5Z)- 5- {[(2- methylphenyl)carbonyl]imino}- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl]acetate
Smiles: COC(=O)Cc1n[nH]/c(=N/C(=O)c2ccccc2C)/s1

STK569246
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCc1ccco1)C

STK847398
Synonyms: N- (4- methylphenyl)- 2- (3- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCCN(C1)c1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK847399
Synonyms: 3- [5- (3,4- dimethoxyphenyl)- 1,2,4- oxadiazol- 3- yl]- 7- methylquinolin- 2(1H)- one
Smiles: COc1cc(ccc1OC)c1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STK569254
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)Oc1ccccc1)C

STK569260
Synonyms: tert- butyl(2S)- 2- ({(2E)- 2- [(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methylidene]hydrazinyl}carbonyl)pyrrolidine- 1- carboxylate(non- preferredname)
Smiles: Oc1nc(C)c(c(n1)O)/C=N/NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

STK569265
Synonyms: 6- {[2- (1,3- benzodioxol- 5- yl)- 2- oxoethyl]sulfanyl}- 4- (trifluoromethyl)- 2,4'- bipyridine- 5- carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc3c(c2)OCO3)nc(cc1C(F)(F)F)c1ccncc1

STK569269
Synonyms: 3- {5- [(E)- {2- [(4- ammonio- 1,2,5- oxadiazol- 3- yl)carbonyl]hydrazinylidene}methyl]furan- 2- yl}benzoate
Smiles: O=C(c1nonc1[NH3+])N/N=C/c1ccc(o1)c1cccc(c1)C(=O)[O-]

STK569271
Synonyms: 3- tert- butyl- 7- phenyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC(c1nnc2n1cnc1c2cnn1c1ccccc1)(C)C

STK569276
Synonyms: (5Z)- 1- (4- methylphenyl)- 4,6- dioxo- 5- {[2- (1,3,7- trimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 9- ium- 8- yl)hydrazinyl]methylidene}- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: Cc1ccc(cc1)N1C(=NC(=O)/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[S-]

STK569282
Synonyms: N- {(2E)- 3- cyano- 10- methyl- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene}- 4- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)[N+](=O)[O-])CCCOC(C)C)nc1n(c2=O)cccc1C

STK569284
Synonyms: 2- {4- [4- (propan- 2- yloxy)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: CC(Oc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C

STK569287
Synonyms: (5Z)- 5- [(1,2- dimethyl- 1H- indol- 3- yl)methylidene]- 2- hydroxy- 1,3- thiazol- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C/c2c(C)n(c3c2cccc3)C)/S1

STK569288
Synonyms: methyl4- [(E)- {[3- (5- phenyl- 1H- pyrazol- 3- yl)- 5- sulfanyl- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STK569289
Synonyms: 2,2- dimethyl- N- [(2Z)- 5- (pyridin- 3- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]propanamide
Smiles: O=C(C(C)(C)C)/N=c\1/[nH]nc(s1)c1cccnc1

STK569292
Synonyms: 4- {4- [2- (naphthalen- 1- yloxy)ethyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)CCOc2cccc3c2cccc3)/s1

STK847402
Synonyms: 3- (4- chlorophenyl)- 5- [(2,6- dichlorobenzyl)sulfanyl]- 4- ethyl- 4H- 1,2,4- triazole
Smiles: CCn1c(SCc2c(Cl)cccc2Cl)nnc1c1ccc(cc1)Cl

STK569295
Synonyms: 9- (ethylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclopentan]- 7- ol
Smiles: CCSc1nnc2n1c(O)c1c(n2)c2ccccc2CC21CCCC2

STK569307
Synonyms: 2- (4- chlorophenyl)- 7- (2,4- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccc(cc1)c1nc2n(n1)cnc1c2cnn1c1ccc(cc1C)C

STK569313
Synonyms: (5E)- 3- cycloheptyl- 5- ({[2- (cyclohex- 1- en- 1- yl)ethyl]amino}methylidene)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/NCCC1=CCCCC1)C1CCCCCC1

STK847403
Synonyms: (2Z)- 2- [(3- methylthiophen- 2- yl)methylidene]- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl4- nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Oc1ccc2c(c1)O/C(=C\c1sccc1C)/C2=O

STK847404
Synonyms: propyl4- {[3- (2- hydroxy- 4- methoxyphenyl)- 5- methyl- 1H- pyrazol- 4- yl]oxy}benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(C)[nH]nc1c1ccc(cc1O)OC

STK569322
Synonyms: (5E)- 6- hydroxy- 3- (4- methoxyphenyl)- 5- (1- {[2- (morpholin- 4- yl)ethyl]amino}ethylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCCN2CCOCC2)/C)/C1=O)O

STK569323
Synonyms: 2- (naphthalen- 2- yloxy)- N- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)acetamide
Smiles: O=C(Nc1[nH]c2=NC(=O)CC(n2n1)c1ccccc1)COc1ccc2c(c1)cccc2

STK569331
Synonyms: (5- hydroxy- 2- methyl- 1- benzofuran- 3- yl)(4- nitrophenyl)methanone
Smiles: O=C(c1c(C)oc2c1cc(O)cc2)c1ccc(cc1)[N+](=O)[O-]

STK569342
Synonyms: 3- [(5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O

STK569343
Synonyms: N- (3- methoxypropyl)[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: COCCCNc1ncnc2c1oc1c2cccc1

STK569351
Synonyms: methylN- [(2,5- dichlorophenyl)carbamoyl]- D- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1cc(Cl)ccc1Cl

STK569365
Synonyms: N'- [(E)- (3,4- dihydroxyphenyl)methylidene]- 2- [(2- methyl- 4- oxoquinazolin- 3(4H)- yl)oxy]acetohydrazide
Smiles: O=C(COn1c(C)nc2c(c1=O)cccc2)N/N=C/c1ccc(c(c1)O)O

STK569366
Synonyms: 2- ({[4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1nc2c([nH]1)cccc2

STK569370
Synonyms: (5E)- 5- [1- (cyclopropylamino)ethylidene]- 6- hydroxy- 3- (4- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C(\NC2CC2)/C)/C1=O)O

STK569372
Synonyms: (2Z)- 2- [(4,6- dimethylpyrimidin- 2- yl)imino]- 6- hydroxy- 3- (4- methylphenyl)- 2,3,4,5- tetrahydropyrimidine- 4- carboxylicacid
Smiles: OC1=N/C(=N\c2nc(C)cc(n2)C)/N(C(C1)C(=O)O)c1ccc(cc1)C

STK569379
Synonyms: 3- amino- N- [4- chloro- 2- (phenylcarbonyl)phenyl]- 5- hydroxy- 4- (5- methylfuran- 2- yl)- 4,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)NC(=O)c1sc2c(c1N)C(c1ccc(o1)C)C1=C(O)CCCC1=N2

STK847414
Synonyms: (5Z)- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 2- sulfanyl- 1,3- thiazol- 4(5H)- one
Smiles: SC1=NC(=O)/C(=C/C=C/c2ccco2)/S1

STK569384
Synonyms: 3- (4- bromophenyl)- 5- (4- chloro- 2- methoxy- 5- methylphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(Cl)c(cc1N1C(=O)C2C(C1=O)C(=NO2)c1ccc(cc1)Br)C

STK569388
Synonyms: 5- (2- bromo- 4- methylphenyl)- 3- (3,4- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(ccc1OC)C1=NOC2C1C(=O)N(C2=O)c1ccc(cc1Br)C

STK569389
Synonyms: N~4~- (3- chlorophenyl)- N~2~- cyclohexyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1cccc(c1)Nc1nc(NC2CCCCC2)nc(c1[N+](=O)[O-])N

STK569390
Synonyms: 2- ({5- [(1S)- 1- amino- 3- methylbutyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (4- bromophenyl)acetamide
Smiles: CC(C[C@@H](c1nnc(o1)SCC(=O)Nc1ccc(cc1)Br)N)C

STK569396
Synonyms: N- [(2Z)- 3- {[2- (4- methoxyphenyl)ethyl]amino}quinoxalin- 2(1H)- ylidene]- 3- methylbenzenesulfonamide
Smiles: COc1ccc(cc1)CCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)C

STK569397
Synonyms: (2Z)- 2- (2,6- dichlorobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl5- ethoxy- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1c(Cl)cccc1Cl)/C3=O)c(o2)c1ccccc1

STK569402
Synonyms: methylN- [(2,2- diphenylethyl)carbamoyl]- D- alaninate
Smiles: COC(=O)[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C

STK569415
Synonyms: 4- {4- [(4- methoxyphenyl)sulfonyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)OC)/s1

STK569417
Synonyms: (E)- [2- (4- hydroxyphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene][4- (prop- 2- en- 1- yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)Cc1ccc[nH+]c1)/[O-]

STK569419
Synonyms: 2- ({1- [4- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)butanoyl]piperidin- 4- yl}methyl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: O=C(N1CCC(CC1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK569420
Synonyms: 3- methoxy- N- [(4E)- 2- methyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]aniline
Smiles: COc1cccc(c1)/N=c\1/[nH]c(C)nc2c1oc1c2cccc1

STK569425
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)Nc1cccc(c1C)C)C

STK569426
Synonyms: tert- butyl[(2S)- 1- {(2E)- 2- [(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methylidene]hydrazinyl}- 3- methyl- 1- oxobutan- 2- yl]carbamate(non- preferredname)
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)N/N=C/c1c(C)nc(nc1O)O)C(C)C

STK569427
Synonyms: ethyl(2Z)- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 2- {[(3,4,5- trimethoxyphenyl)carbonyl]imino}- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cc(OC)c(c(c1)OC)OC)Cc1ccco1)nc1n(c2=O)cccc1C

STK569431
Synonyms: 6- hydroxy- 3- methyl- 8- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: C=CCn1c(nc2c1c(O)nc(=O)n2C)Sc1nncn1C

STK569433
Synonyms: [(3Z)- 3- (2- {[1- (4- ammonio- 1,2,5- oxadiazol- 3- yl)- 5- (4- ethoxyphenyl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)- 2- oxo- 2,3- dihydro- 1H- indol- 1- yl]acetate
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C\1/c2ccccc2N(C1=O)CC(=O)[O-]

STK569442
Synonyms: (2Z)- 2- [(4- chlorophenyl)imino]- 7- (4- fluorophenyl)- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Fc1ccc(cc1)C1CC(=O)c2c(C1)[nH]/c(=N/c1ccc(cc1)Cl)/nc2

STK847416
Synonyms: 6- (2,6- dimethylmorpholin- 4- yl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidin- 4- amine
Smiles: CC1OC(C)CN(C1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK569453
Synonyms: 4- oxo- N- [(2Z)- 5- (propan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- [4- (pyridin- 2- yl)piperazin- 1- yl]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(C)C)CCC(=O)N1CCN(CC1)c1ccccn1

STK569459
Synonyms: 3- cyclohexyl- N- [4- hydroxy- 2,6- dioxo- 1- phenyl- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]propanamide
Smiles: O=C(NC1(C(=O)Nc2c1c(O)nc(=O)n2c1ccccc1)C(F)(F)F)CCC1CCCCC1

STK569465
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (tetrahydrofuran- 2- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)[N+](=O)[O-])CC1CCCO1)nc1n(c2=O)cccc1C

STK569469
Synonyms: 2,6- di(furan- 2- yl)- 4- (prop- 2- en- 1- yl)- 3- propylpiperidin- 4- ol
Smiles: C=CCC1(O)CC(NC(C1CCC)c1ccco1)c1ccco1

STK569470
Synonyms: ethyl(2Z)- 10- methyl- 5- oxo- 1- (tetrahydrofuran- 2- ylmethyl)- 2- {[(3,4,5- trimethoxyphenyl)carbonyl]imino}- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cc(OC)c(c(c1)OC)OC)CC1CCCO1)nc1n(c2=O)cccc1C

STK569480
Synonyms: 6'- amino- 3'- butyl- 2- oxo- 1,2- dihydro- 2'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: CCCCc1[nH]nc2c1C1(C(=O)Nc3c1cccc3)C(=C(O2)N)C#N

STK847417
Synonyms: N~2~- cyclohexyl- 5- nitro- N~4~- phenylpyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)NC1CCCCC1

STK569484
Synonyms: 6- chloro- 3- {[5- cyclopropyl- 4- (2,4- dimethylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 4- phenylquinolin- 2- ol
Smiles: Cc1ccc(c(c1)C)n1c(nnc1C1CC1)Sc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STK569488
Synonyms: 9- chloro- 3- [3- (1H- imidazol- 1- yl)propyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Clc1cccc2c1c1ncn(c(=O)c1[nH]2)CCCn1cncc1

STK569493
Synonyms: 3- (2- bromophenoxy)- 7- [(2- chloro- 4- fluorobenzyl)oxy]- 4H- chromen- 4- one
Smiles: Fc1ccc(c(c1)Cl)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1Br

STK569496
Synonyms: 2- methoxy- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (propan- 2- yl)benzamide
Smiles: COc1ccccc1C(=O)N(C(C)C)Cc1cc2ccccc2[nH]c1=O

STK569497
Synonyms: N~2~- benzyl- N~4~- (2,5- dimethoxyphenyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(c(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C)OC

STK569499
Synonyms: ethyl(2Z)- 1- (3- ethoxypropyl)- 10- methyl- 2- {[(2- nitrophenyl)carbonyl]imino}- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOCCCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK569506
Synonyms: 2- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}quinazolin- 4- olate
Smiles: OCCN1CC[NH+](CC1)Cc1nc([O-])c2c(n1)cccc2

STK569508
Synonyms: N'- {(E)- [4- (dimethylamino)phenyl]methylidene}- 2- (3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)propanehydrazide
Smiles: O=C(C(n1nc(c(c1C)[N+](=O)[O-])C)C)N/N=C/c1ccc(cc1)N(C)C

STK569512
Synonyms: 2- [(4- ethoxyphenyl)amino]- 5,6,7,8- tetrahydroquinazolin- 4- ol
Smiles: CCOc1ccc(cc1)Nc1nc(O)c2c(n1)CCCC2

STK801755
Synonyms: 3- [(7- chloro- 4- nitro- 2,1,3- benzoxadiazol- 5- yl)amino]propan- 1- ol
Smiles: [O-][N+](=O)c1c(NCCCO)cc(c2c1non2)Cl

STK569520
Synonyms: ethyl6- tert- butyl- 2- ({(E)- 2- cyano- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]ethenyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(N/C=C(/c2scc(n2)c2cc3ccccc3oc2=O)\C#N)sc2c1CCC(C2)C(C)(C)C

STK569527
Synonyms: (E)- (5- methylfuran- 2- yl){1- methyl- 1'- [3- (morpholin- 4- ium- 4- yl)propyl]- 2,4',5'- trioxo- 1,2- dihydro- 3'H- spiro[indole- 3,2'- pyrrolidin]- 3'- ylidene}methanolate
Smiles: Cc1ccc(o1)/C(=C/1\C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)C)CCC[NH+]1CCOCC1)/[O-]

STK569530
Synonyms: 2- ethyl- N- [3- (propan- 2- yloxy)propyl][1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CCc1nc(NCCCOC(C)C)c2c(n1)c1ccccc1o2

STK569532
Synonyms: 6'- amino- 3'- butyl- 5- chloro- 2- oxo- 1,2- dihydro- 2'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: CCCCc1[nH]nc2c1C1(C(=O)Nc3c1cc(Cl)cc3)C(=C(O2)N)C#N

STK569533
Synonyms: 4- [(E)- ({2- amino- 3- [(2,5- dimethylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl}imino)methyl]benzene- 1,2- diol
Smiles: Cc1ccc(c(c1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(c(c1)O)O)C

STK847422
Synonyms: ethyl4- [3- methyl- 6- oxo- 4- (pyridin- 3- yl)- 2,6- dihydropyrrolo[3,4- c]pyrazol- 5(4H)- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1c1cccnc1)c([nH]n2)C

STK569539
Synonyms: 6- hydroxy- 3- methyl- 7- {2- [(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]ethyl}- 8- (piperidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1nnc(s1)SCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1

STK569542
Synonyms: (2E)- 3- (2- methoxy- 5- nitrophenyl)- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C/c1cc(ccc1OC)[N+](=O)[O-])/C#N

STK569552
Synonyms: N'- [(E)- (2,4- dihydroxyphenyl)methylidene]- 2- [(2- methyl- 4- oxoquinazolin- 3(4H)- yl)oxy]acetohydrazide
Smiles: O=C(COn1c(C)nc2c(c1=O)cccc2)N/N=C/c1ccc(cc1O)O

STK569554
Synonyms: 2- [(E)- {2- [(3,5- dimethyl- 4- nitro- 1H- pyrazol- 2- ium- 1- yl)acetyl]hydrazinylidene}methyl]- 6- methoxyphenolate
Smiles: COc1cccc(c1[O-])/C=N/NC(=O)Cn1[nH+]c(c(c1C)[N+](=O)[O-])C

STK569556
Synonyms: (3aR,6aS)- 3- (2,4- dimethoxyphenyl)- 5- (5- methoxy- 2- methyl- 4- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(OC)c(cc1C)[N+](=O)[O-]

STK569567
Synonyms: 2',2'- dimethyl- 3- nitro- 6a,7,8,9,10,11- hexahydro- 5H- spiro[azepino[1,2- a]quinoline- 6,5'- [1,3]dioxane]- 4',6'- dione
Smiles: [O-][N+](=O)c1ccc2c(c1)CC1(C3N2CCCCC3)C(=O)OC(OC1=O)(C)C

STK569574
Synonyms: (5E)- 1- (4- ethoxyphenyl)- 5- {[1- (4- hydroxyphenyl)- 1H- pyrrol- 2- yl]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cccn2c2ccc(cc2)O)/C1=O)S

STK569576
Synonyms: 2- ({5- [(1S)- 1- amino- 3- methylbutyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)acetamide
Smiles: CC(C[C@@H](c1nnc(o1)SCC(=O)N)N)C

STK569585
Synonyms: (2Z)- 3- [4- (benzyloxy)- 3- bromophenyl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: [O-]C(=O)/C(=C/c1ccc(c(c1)Br)OCc1ccccc1)/Sc1[nH]nc([nH+]1)C

STK569587
Synonyms: 2- ({5- [(1S)- 1- amino- 2- methylpropyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (4- bromophenyl)acetamide
Smiles: N[C@H](c1nnc(o1)SCC(=O)Nc1ccc(cc1)Br)C(C)C

STK569591
Synonyms: 4- methoxy- N- [(2Z)- 5- (4- methoxybenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: COc1ccc(cc1)Cc1n[nH]/c(=N/C(=O)c2ccc(cc2)OC)/s1

STK847428
Synonyms: N- [(3Z)- 1,8- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]thiophene- 2- carboxamide
Smiles: O=C(c1cccs1)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)C

STK569602
Synonyms: 2- [4- (3,4- dimethoxyphenyl)- 1H- pyrazol- 5- yl]- 5- [(4- fluorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cn[nH]c1c1ccc(cc1O)OCc1ccc(cc1)F

STK569603
Synonyms: N- [(3E)- 7- methyl- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: CC(Cn1[nH]/c(=N/C(=O)C2CCCO2)/c2c1nc1cc(C)ccc1c2)C

STK847429
Synonyms: 7- [(4- chlorobenzyl)oxy]- 3- (2- methoxyphenoxy)- 4H- chromen- 4- one
Smiles: COc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)Cl

STK569613
Synonyms: (5E)- 5- {1- [(4- ethoxyphenyl)amino]ethylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: CCOc1ccc(cc1)N/C(=C/1\C(=NC(=NC1=O)O)O)/C

STK569615
Synonyms: 8- {(2E)- 2- [(2Z)- 2- bromo- 3- phenylprop- 2- en- 1- ylidene]hydrazinyl}- 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(N/N=C/C(=C/c2ccccc2)/Br)nc2c1c(O)nc(=O)n2C

STK847430
Synonyms: N- [(2Z)- 5- tert- butyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- phenoxyacetamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(C)(C)C)COc1ccccc1

STK569625
Synonyms: 6'- amino- 2- oxo- 1- (propan- 2- yl)- 3'- propyl- 1,2- dihydro- 2'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: CCCc1[nH]nc2c1C1(C(=C(O2)N)C#N)c2ccccc2N(C1=O)C(C)C

STK569627
Synonyms: N- 1,3- benzodioxol- 5- yl- 1- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- prolinamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCO2

STK569629
Synonyms: 2- chloro- N- (3- methylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]acetamide
Smiles: ClCC(=O)N(c1cccc(c1)C)Cc1cc(=O)[nH]c2c1cccc2

STK569634
Synonyms: 2- amino- 4- (2,3- dimethoxyphenyl)- 6- phenyl- 4H- pyran- 3,5- dicarbonitrile
Smiles: N#CC1=C(OC(=C(C1c1cccc(c1OC)OC)C#N)N)c1ccccc1

STK569636
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- phenoxyphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Oc1ccccc1)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK569638
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2- methyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: Cc1nc(NCCC2=CCCCC2)c2c(n1)c1ccccc1o2

STK847432
Synonyms: 3- amino- N- [(2E)- 4- methyl- 1,3- thiazol- 2(3H)- ylidene]- 6- (thiophen- 2- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1cccs1)/N=c\1/scc([nH]1)C

STK847433
Synonyms: 1,1- dibenzyl- 3- [(2Z)- 4,6- dimethylpyrimidin- 2(1H)- ylidene]guanidine
Smiles: Cc1cc(C)[nH]/c(=N/C(=N)N(Cc2ccccc2)Cc2ccccc2)/n1

STK569647
Synonyms: (5Z)- 5- {1- [(2,5- dimethoxyphenyl)amino]ethylidene}- 6- hydroxy- 3- (prop- 2- en- 1- yl)pyrimidine- 2,4(3H,5H)- dione
Smiles: C=CCN1C(=O)N=C(/C(=C(/Nc2cc(OC)ccc2OC)\C)/C1=O)O

STK569666
Synonyms: (6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl2,2- dimethylpropanoate
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)COC(=O)C(C)(C)C

STK569667
Synonyms: N~2~- [3- (dimethylamino)propyl]- N~4~- (3,4- dimethylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(CCCNc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-])C

STK569671
Synonyms: 4- oxo- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- [4- (pyridin- 2- yl)piperazin- 1- yl]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2ccccn2)/s1

STK569675
Synonyms: N~2~- (4- chlorobenzyl)- 6- (3- methylpiperidin- 1- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CC1CCCN(C1)c1nc(NCc2ccc(cc2)Cl)nc(c1[N+](=O)[O-])N

STK569677
Synonyms: N- (2- ethylphenyl)- 1- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- prolinamide
Smiles: CCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK569679
Synonyms: 1- butyl- 1',6'- dimethyl- 2,6- dioxo- 1,1',4',6- tetrahydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinolinium]- 4- olate
Smiles: CCCCN1C(=O)N=C(C2(C1=O)C[NH+](C)c1c(C2)cc(cc1)C)[O-]

STK569680
Synonyms: N- {(2E)- 3- cyano- 10- methyl- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene}- 4- methyl- 3- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCCOC(C)C)nc1n(c2=O)cccc1C

STK569683
Synonyms: ethyl(2Z)- 10- methyl- 2- {[(2- nitrophenyl)carbonyl]imino}- 5- oxo- 1- propyl- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccccc1[N+](=O)[O-])CCC)nc1n(c2=O)cccc1C

STK569684
Synonyms: (2Z)- 3- (4- fluorophenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Fc1ccc(cc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STK847439
Synonyms: 6- amino- 2- [(2- chloro- 6- fluorobenzyl)sulfanyl]pyrimidin- 4- ol
Smiles: Nc1nc(SCc2c(F)cccc2Cl)nc(c1)O

STK569700
Synonyms: 2- [4- (3- ethylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: CCc1cccc(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK847440
Synonyms: N- (2- chlorophenyl)- 4- [3- (trifluoromethyl)phenyl]piperazine- 1- carboxamide
Smiles: O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)Nc1ccccc1Cl

STK847441
Synonyms: 2- (5,5- dimethyl- 2- oxotetrahydrofuran- 3- yl)- N- [(2E)- 4- phenyl- 1,3- thiazol- 2(3H)- ylidene]acetamide
Smiles: O=C(/N=c\1/scc([nH]1)c1ccccc1)CC1CC(OC1=O)(C)C

STK569705
Synonyms: N- [(3Z)- 8- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: CCCn1[nH]/c(=N\C(=O)C2CCCO2)/c2c1nc1c(C)cccc1c2

STK569708
Synonyms: 2- {4- [3- (propan- 2- yloxy)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: CC(Oc1cccc(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C

STK569709
Synonyms: ethyl2- (2,4- dimethoxyphenyl)- 4- hydroxy- 5- oxo- 1- (4- sulfamoylphenyl)- 2,5- dihydro- 1H- pyrrole- 3- carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1OC)OC)c1ccc(cc1)S(=O)(=O)N

STK569716
Synonyms: 2- [9- (propan- 2- yl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 1- ium- 2- yl]naphthalen- 1- olate
Smiles: CC(N1CCc2c(C1)sc1c2c2[nH+]c(nn2cn1)c1ccc2c(c1[O-])cccc2)C

STK569720
Synonyms: N- [(3Z)- 6- methoxy- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 3- methylbutanamide
Smiles: CCCn1[nH]/c(=N\C(=O)CC(C)C)/c2c1nc1ccc(cc1c2)OC

STK569745
Synonyms: N- [(2E)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- N'- [4- (propan- 2- yl)phenyl]butanediamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CCC(=O)/N=c/1\[nH]nc(s1)CC(C)C

STK569753
Synonyms: 2- (3,5- dimethylpiperidin- 1- yl)- 6- (4- methylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CC1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)C

STK569754
Synonyms: (5E)- 6- hydroxy- 3- (prop- 2- en- 1- yl)- 5- {1- [(tetrahydrofuran- 2- ylmethyl)amino]ethylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCC2CCCO2)/C)/C1=O)O

STK569756
Synonyms: (2Z)- N~6~- (3- chlorophenyl)- 2- [(3- chlorophenyl)imino]- 5- nitro- 1,2- dihydropyrimidine- 4,6- diamine
Smiles: Clc1cccc(c1)Nc1[nH]/c(=N/c2cccc(c2)Cl)/nc(c1[N+](=O)[O-])N

STK569757
Synonyms: 5- (2,4- dichlorophenyl)- 3- (2,3- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cccc(c1OC)C1=NOC2C1C(=O)N(C2=O)c1ccc(cc1Cl)Cl

STK847444
Synonyms: ethyl{[3- (4- chlorophenyl)- 4- oxo- 4H- chromen- 7- yl]oxy}acetate
Smiles: CCOC(=O)COc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Cl

STK569768
Synonyms: (5Z)- 1- (2- methylphenyl)- 4,6- dioxo- 5- {[2- (1,3,7- trimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 9- ium- 8- yl)hydrazinyl]methylidene}- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: O=C1N=C([S-])N(C(=O)/C/1=C\NNc1[nH+]c2c(n1C)c(=O)n(c(=O)n2C)C)c1ccccc1C

STK569771
Synonyms: 8- bromo- N- cyclohexyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: Brc1ccc2c(c1)c1ncnc(c1o2)NC1CCCCC1

STK569773
Synonyms: 5- {[(E)- (2- methoxyphenyl)methylidene]amino}pyrimidine- 2,4- diol
Smiles: COc1ccccc1/C=N/c1cnc(nc1O)O

STK569779
Synonyms: 6- (3,5- dimethylpiperidin- 1- yl)- N~2~- (3- methylbutyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CC(CCNc1nc(N2CC(C)CC(C2)C)c(c(n1)N)[N+](=O)[O-])C

STK569781
Synonyms: 4- [(E)- {2- [(4- ammonio- 1,2,5- oxadiazol- 3- yl)carbonyl]hydrazinylidene}methyl]- 2- methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)c2nonc2[NH3+])ccc1[O-]

STK801756
Synonyms: 6- chloro- 7H- purin- 2- amine
Smiles: Nc1nc(Cl)c2c(n1)nc[nH]2

STK569785
Synonyms: 3- [(4E)- [1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylideneamino]- 5,6,7,8- tetrahydronaphthalen- 2- ol
Smiles: Oc1cc2CCCCc2cc1/N=c\1/[nH]cnc2c1oc1c2cccc1

STK569786
Synonyms: 4- oxo- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)/s1

STK569793
Synonyms: 2- {[4- amino- 6- (4- benzylpiperazin- 1- yl)- 5- nitropyrimidin- 2- yl]amino}ethanol
Smiles: OCCNc1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK569794
Synonyms: 3- {(2Z)- 2- [(2E)- (furan- 2- ylmethylidene)hydrazinylidene]- 2,3- dihydro- 1,3- thiazol- 4- yl}- N,N- dimethylbenzenesulfonamide
Smiles: CN(S(=O)(=O)c1cccc(c1)c1cs/c(=N\N=C\c2ccco2)/[nH]1)C

STK847445
Synonyms: 2- (4- nitrophenyl)- 1- (prop- 2- en- 1- yl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: C=CCn1c(nc2c1nc1ccccc1n2)c1ccc(cc1)[N+](=O)[O-]

STK569799
Synonyms: 3- (1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 9- ium- 8- yl)phenolate
Smiles: [O-]c1cccc(c1)c1[nH]c2c([nH+]1)n(C)c(=O)n(c2=O)C

STK569803
Synonyms: 4- {[4- (2- cyanoethyl)piperazin- 4- ium- 1- yl]carbonothioyl}- 2- methoxyphenolate
Smiles: N#CCC[NH+]1CCN(CC1)C(=S)c1ccc(c(c1)OC)[O-]

STK569807
Synonyms: (3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 2- ium- 4- yl)acetate
Smiles: [O-]C(=O)CC1C(=[NH+]NC1=O)C

STK847446
Synonyms: (2Z)- 2- [(4- fluorophenyl)imino]- 7- (furan- 2- yl)- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Fc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccco1

STK569822
Synonyms: 3- nitro- 2',6'- dioxo- 1',6',6a,7,8,9,10,11- octahydro- 2'H,5H- spiro[azepino[1,2- a]quinolinium- 6,5'- pyrimidin]- 4'- olate
Smiles: O=C1NC(=O)C2(C(=N1)[O-])Cc1cc(ccc1[NH+]1C2CCCCC1)[N+](=O)[O-]

STK569823
Synonyms: N- [(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- (2- methylphenoxy)acetamide
Smiles: COc1ccccc1c1n[nH]/c(=N\C(=O)COc2ccccc2C)/s1

STK569831
Synonyms: (2Z)- 2- (2,5- dimethoxybenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl4- nitrobenzoate
Smiles: COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccc(cc1)[N+](=O)[O-])OC

STK569833
Synonyms: 6- (4- benzylpiperidin- 1- yl)- 2- (morpholin- 4- yl)- 5- nitropyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)N1CCOCC1

STK569835
Synonyms: N- [(3Z)- 6- methyl- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: CC(Cn1[nH]/c(=N\C(=O)C2CCCO2)/c2c1nc1ccc(cc1c2)C)C

STK569836
Synonyms: {2- (2- fluorophenyl)- 1- (4- methylphenyl)- 4- [(4- methylphenyl)ammonio]- 5- oxo- 2,5- dihydro- 1H- pyrrol- 3- yl}acetate
Smiles: Cc1ccc(cc1)[NH2+]C1=C(CC(=O)[O-])C(N(C1=O)c1ccc(cc1)C)c1ccccc1F

STK569842
Synonyms: 2- [(4- fluorophenyl)amino]- 6- methyl- 5- (3- methylbutyl)pyrimidin- 4- ol
Smiles: CC(CCc1c(C)nc(nc1O)Nc1ccc(cc1)F)C

STK569847
Synonyms: 4- {[(E)- anthracen- 9- ylmethylidene]amino}- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1/N=C/c1c2ccccc2cc2c1cccc2)c1[nH]nc2c1CCC2

STK569849
Synonyms: N- [(2E)- 3- cyano- 1- (3- ethoxypropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- methyl- 3- nitrobenzamide
Smiles: CCOCCCn1/c(=N/C(=O)c2cccc(c2C)[N+](=O)[O-])/c(C#N)cc2c1nc1ccccn1c2=O

STK569853
Synonyms: N- [(2E)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3,4,5- triethoxybenzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)/N=c/1\c(C#N)cc2c(n1Cc1ccco1)nc1n(c2=O)cccc1C

STK569854
Synonyms: ethyl(2Z)- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- 2- {[(3,4,5- triethoxyphenyl)carbonyl]imino}- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cc(OCC)c(c(c1)OCC)OCC)CCCOC(C)C)nc1n(c2=O)cccc1

STK569858
Synonyms: 2- [(furan- 2- ylmethyl)amino]- 6- methyl- 5- pentylpyrimidin- 4- ol
Smiles: CCCCCc1c(C)nc(nc1O)NCc1ccco1

STK569860
Synonyms: 4- (4- methylpiperidin- 1- yl)- 2- phenyl[1]benzofuro[3,2- d]pyrimidine
Smiles: CC1CCN(CC1)c1nc(nc2c1oc1c2cccc1)c1ccccc1

STK569876
Synonyms: 2- (4- benzylpiperidin- 1- yl)- 6- (morpholin- 4- yl)- 5- nitropyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCOCC1)N1CCC(CC1)Cc1ccccc1

STK569878
Synonyms: N- [(2Z)- 5- [2- (piperidin- 1- yl)ethyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)/N=c\1/[nH]nc(s1)CCN1CCCCC1

STK569884
Synonyms: 3- (4- bromophenyl)- 7- [(2,4- dichlorobenzyl)oxy]- 4H- chromen- 4- one
Smiles: Brc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OCc1ccc(cc1Cl)Cl

STK569885
Synonyms: 2- [4- (4- chloro- 3- methylphenoxy)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(c(c2)C)Cl)c2c(n1)cccc2

STK569886
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1COc1ccc(cc1)C

STK569891
Synonyms: ethyl(2Z)- 10- methyl- 5- oxo- 1- pentyl- 2- {[(3,4,5- trimethoxyphenyl)carbonyl]imino}- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCCCCn1/c(=N\C(=O)c2cc(OC)c(c(c2)OC)OC)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK569893
Synonyms: (2Z)- 3- {4- [(4- bromobenzyl)oxy]- 3- methoxyphenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1cc(ccc1OCc1ccc(cc1)Br)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STK569896
Synonyms: 2- (4- chlorophenoxy)- N- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)acetamide
Smiles: O=C(Nc1nn2c(=NC(=O)CC2c2ccccc2)[nH]1)COc1ccc(cc1)Cl

STK569907
Synonyms: 2- ethyl- 4- (4- ethylpiperazin- 1- yl)[1]benzofuro[3,2- d]pyrimidine
Smiles: CCN1CCN(CC1)c1nc(CC)nc2c1oc1c2cccc1

STK569921
Synonyms: 4- {[(E)- (3- hydroxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)c1ccccc1

STK569925
Synonyms: (2E)- N~4~- (3,4- dimethylphenyl)- 2- [(3- fluorophenyl)imino]- 5- nitro- 1,2- dihydropyrimidine- 4,6- diamine
Smiles: Fc1cccc(c1)/N=c\1/nc(Nc2ccc(c(c2)C)C)c(c([nH]1)N)[N+](=O)[O-]

STK569927
Synonyms: (5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 3- (morpholin- 4- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)N1CCOCC1

STK569944
Synonyms: N- [(3Z)- 1,8- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]furan- 2- carboxamide
Smiles: O=C(c1ccco1)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)C

STK569946
Synonyms: tert- butyl(3- {(2E)- 2- [(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methylidene]hydrazinyl}- 3- oxopropyl)carbamate(non- preferredname)
Smiles: O=C(N/N=C/c1c(C)nc(nc1O)O)CCNC(=O)OC(C)(C)C

STK569952
Synonyms: ethyl(2Z)- 2- {[(4- methyl- 3- nitrophenyl)carbonyl]imino}- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCCOC(C)C)nc1n(c2=O)cccc1

STK569955
Synonyms: 3- [5- (4- methoxybenzyl)- 1,2,4- oxadiazol- 3- yl]- 7- methylquinolin- 2(1H)- one
Smiles: COc1ccc(cc1)Cc1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STK569958
Synonyms: (2E,5Z)- 2- {[4- chloro- 2- (trifluoromethyl)phenyl]imino}- 5- (3- ethoxy- 4- hydroxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(ccc1O)/C=C/1\S/C(=N/c2ccc(cc2C(F)(F)F)Cl)/NC1=O

STK847450
Synonyms: 6- {[4,6- di(morpholin- 4- yl)- 1,3,5- triazin- 2- yl]oxy}pyridazin- 3(2H)- one
Smiles: O=c1ccc(n[nH]1)Oc1nc(nc(n1)N1CCOCC1)N1CCOCC1

STK569965
Synonyms: (2Z)- 2- [(3,5- dimethylphenyl)imino]- 7- (furan- 2- yl)- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Cc1cc(C)cc(c1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccco1

STK569968
Synonyms: 4- (4- benzylpiperazin- 1- yl)- N- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2ccccc2)/s1)C

STK569975
Synonyms: 2- ({5- [(1S)- 1- aminoethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)acetamide
Smiles: NC(=O)CSc1nnc(o1)[C@@H](N)C

STK569976
Synonyms: N- tert- butyl- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]acetamide
Smiles: CC(=O)N(C(C)(C)C)Cc1cc2cccc(c2[nH]c1=O)C

STK847451
Synonyms: N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (propan- 2- yl)propanamide
Smiles: CCC(=O)N(C(C)C)Cc1cc2ccccc2[nH]c1=O

STK569980
Synonyms: 3- {[(2Z)- 6- [(3- carboxyphenyl)amino]pyrimidin- 2(1H)- ylidene]amino}benzoicacid
Smiles: OC(=O)c1cccc(c1)Nc1ccn/c(=N\c2cccc(c2)C(=O)O)/[nH]1

STK569986
Synonyms: (5E)- 2,6- dioxo- 1- phenyl- 5- {1- [(pyridinium- 3- ylmethyl)amino]propylidene}- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)[O-])/NCc1ccc[nH+]c1

STK569990
Synonyms: ethyl(2Z)- 1- (2- methoxyethyl)- 10- methyl- 5- oxo- 2- {[(3,4,5- triethoxyphenyl)carbonyl]imino}- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCn1/c(=N\C(=O)c2cc(OCC)c(c(c2)OCC)OCC)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK569991
Synonyms: 4- (1,3- dimethyl- 2,4- dioxo- 7- phenyl- 1,2,3,4- tetrahydro- 8H- imidazo[2,1- f]purin- 9- ium- 8- yl)phenolate
Smiles: [O-]c1ccc(cc1)n1c(cn2c1[nH+]c1c2c(=O)n(c(=O)n1C)C)c1ccccc1

STK569994
Synonyms: 2- (furan- 2- yl)- 12- (4- methoxyphenyl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1ccco1)[O-]

STK569995
Synonyms: N- [(2Z)- 5- (4- methoxybenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- methylbutanamide
Smiles: COc1ccc(cc1)Cc1n[nH]/c(=N/C(=O)CC(C)C)/s1

STK569996
Synonyms: ethyl(2Z)- 2- {[(2- bromophenyl)carbonyl]imino}- 1- (3- ethoxypropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOCCCn1/c(=N\C(=O)c2ccccc2Br)/c(cc2c1nc1ccccn1c2=O)C(=O)OCC

STK570003
Synonyms: N- (3- methylphenyl)- N'- [(2E)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: CC(Cc1n[nH]/c(=N\C(=O)CCC(=O)Nc2cccc(c2)C)/s1)C

STK570007
Synonyms: 4- imino- 5- (4- methoxyphenyl)- 8,8- dimethyl- 3- [2- (morpholin- 4- yl)ethyl]- 3,4,5,7,8,9- hexahydro- 6H- chromeno[2,3- d]pyrimidin- 6- one
Smiles: COc1ccc(cc1)C1C2=C(Oc3c1c(=N)n(cn3)CCN1CCOCC1)CC(CC2=O)(C)C

STK570017
Synonyms: 2- methyl- 7- (morpholin- 4- yl)hepta- 3,5- diyn- 2- ol
Smiles: CC(C#CC#CCN1CCOCC1)(O)C

STK570024
Synonyms: (5Z)- 1- cyclopropyl- 5- {[1- (4- fluorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Fc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)C1CC1)S

STK570028
Synonyms: ethyl5- (acetyloxy)- 6- bromo- 1- (4- bromophenyl)- 2- [(carbamimidoylsulfanyl)methyl]- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(CSC(=N)N)n(c2c1cc(OC(=O)C)c(c2)Br)c1ccc(cc1)Br

STK570030
Synonyms: (5E)- 5- {[(2- hydroxyethyl)amino]methylidene}- 1- (naphthalen- 1- yl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: OCCN/C=C/1\C(=O)N=C(N(C1=O)c1cccc2c1cccc2)S

STK570035
Synonyms: ethyl1- ({(6Z)- 4- amino- 6- [(4- methoxyphenyl)imino]- 1,6- dihydro- 1,3,5- triazin- 2- yl}methyl)piperidine- 3- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)Cc1nc(N)n/c(=N\c2ccc(cc2)OC)/[nH]1

STK801757
Synonyms: 7- chloro- 5- (4- methylpiperidin- 1- yl)- 4- nitro- 2,1,3- benzoxadiazole
Smiles: CC1CCN(CC1)c1cc(Cl)c2c(c1[N+](=O)[O-])non2

STK570055
Synonyms: 3- {[(3- methylphenyl)amino]methyl}quinolin- 2(1H)- one
Smiles: Cc1cccc(c1)NCc1cc2ccccc2[nH]c1=O

STK570057
Synonyms: tert- butyl(6- {(2E)- 2- [(2- methyl- 2H- chromen- 3- yl)methylidene]hydrazinyl}- 6- oxohexyl)carbamate
Smiles: O=C(N/N=C/C1=Cc2ccccc2OC1C)CCCCCNC(=O)OC(C)(C)C

STK570062
Synonyms: 3- (3,5- dimethyl- 1H- pyrazol- 2- ium- 4- yl)propanoate
Smiles: [O-]C(=O)CCc1c(C)[nH][nH+]c1C

STK570065
Synonyms: 11- hydroxy- 10- (2,3,4- trimethoxyphenyl)- 6,7,8,10- tetrahydro- 9H- indeno[1,2- b]quinolin- 9- one
Smiles: COc1ccc(c(c1OC)OC)C1C2=C(CCCC2=O)N=C2C1=C(O)c1c2cccc1

STK570070
Synonyms: (2Z)- 6- [(4- chlorobenzyl)oxy]- 2- (pyridin- 4- ylmethylidene)- 1- benzofuran- 3(2H)- one
Smiles: Clc1ccc(cc1)COc1ccc2c(c1)O/C(=C\c1ccncc1)/C2=O

STK570071
Synonyms: 3- [5- (3,5- dimethoxyphenyl)- 1,2,4- oxadiazol- 3- yl]- 8- methylquinolin- 2(1H)- one
Smiles: COc1cc(OC)cc(c1)c1onc(n1)c1cc2cccc(c2[nH]c1=O)C

STK570077
Synonyms: 6- hydroxy- 7- (2- hydroxyethyl)- 8- [(3- hydroxypropyl)amino]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(NCCCO)nc2c1c(O)nc(=O)n2C

STK570078
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- pentyl- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methyl- 3- nitrobenzamide
Smiles: CCCCCn1/c(=N/C(=O)c2ccc(c(c2)[N+](=O)[O-])C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK570081
Synonyms: 4- (azepan- 1- yl)- 2- (pyridin- 2- yl)quinazoline
Smiles: C1CCCN(CC1)c1nc(nc2c1cccc2)c1ccccn1

STK570083
Synonyms: 5- (2- methoxyphenyl)- 4- {[(E)- (3- nitrophenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1cccc(c1)[N+](=O)[O-]

STK570085
Synonyms: 7- (3,4- dichlorophenyl)- 3- (3- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1cccc(c1)c1nnc2n1cnc1c2cnn1c1ccc(c(c1)Cl)Cl

STK570087
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 5- [(2S)- pyrrolidin- 2- yl]- 1,3,4- oxadiazole
Smiles: Clc1ccc(cc1)CSc1nnc(o1)[C@@H]1CCCN1

STK801758
Synonyms: 6'- fluoro- 4'- methyl- 3',4'- dihydro- 1'H- spiro[cyclopentane- 1,2'- quinoline]
Smiles: Fc1ccc2c(c1)C(C)CC1(N2)CCCC1

STK570091
Synonyms: N- [3- (1H- imidazol- 1- yl)propyl]- 2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: c1ccc(cc1)c1nc(NCCCn2cncc2)c2c(n1)c1ccccc1o2

STK570094
Synonyms: 4- (3- {4- [2- nitro- 4- (trifluoromethyl)phenyl]piperazin- 1- ium- 1- yl}- 2,5- dioxopyrrolidin- 1- yl)benzoate
Smiles: [O-]C(=O)c1ccc(cc1)N1C(=O)CC(C1=O)[NH+]1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

STK570105
Synonyms: 2- (benzylsulfanyl)- 5- [(2S)- pyrrolidin- 2- yl]- 1,3,4- oxadiazole
Smiles: C1CN[C@@H](C1)c1nnc(o1)SCc1ccccc1

STK570114
Synonyms: 2- bromo- 6- methoxy- 4- {(E)- [2- (morpholin- 4- ium- 4- yl)- 4- oxo- 1,3- thiazol- 5(4H)- ylidene]methyl}phenolate
Smiles: COc1cc(/C=C\2/SC(=NC2=O)[NH+]2CCOCC2)cc(c1[O-])Br

STK570115
Synonyms: 4- {[(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]amino}- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(ccc1O)/C=N/n1c(=S)[nH]nc1c1[nH]nc2c1CCC2

STK570116
Synonyms: 2- ({5- [(1S)- 1- amino- 2- phenylethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2,3- dimethylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(o1)[C@H](Cc1ccccc1)N

STK570126
Synonyms: (E)- [4- (dimethylsulfamoyl)phenyl]{2- (2- fluorophenyl)- 1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1F)CCC[NH+]1CCOCC1)/c1ccc(cc1)S(=O)(=O)N(C)C

STK570129
Synonyms: ethyl(2Z)- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- 2- {[(3,4,5- trimethoxyphenyl)carbonyl]imino}- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cc(OC)c(c(c1)OC)OC)CCCOC(C)C)nc1n(c2=O)cccc1

STK570137
Synonyms: methylN- [(4- phenylpiperazin- 1- yl)carbonyl]- L- phenylalaninate
Smiles: COC(=O)[C@@H](NC(=O)N1CCN(CC1)c1ccccc1)Cc1ccccc1

STK847460
Synonyms: 3- (5- ethyl- 1,2,4- oxadiazol- 3- yl)- 6- methylquinolin- 2(1H)- one
Smiles: CCc1onc(n1)c1cc2cc(C)ccc2[nH]c1=O

STK847461
Synonyms: 2- ethyl- N- (pyridin- 3- ylmethyl)[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CCc1nc(NCc2cccnc2)c2c(n1)c1ccccc1o2

STK847462
Synonyms: 3- [5- (methoxymethyl)- 1,2,4- oxadiazol- 3- yl]- 7- methylquinolin- 2(1H)- one
Smiles: COCc1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STK570158
Synonyms: 2- methyl- N- [(E)- (5- nitrothiophen- 2- yl)methylidene]- 1H- benzimidazol- 1- amine
Smiles: [O-][N+](=O)c1ccc(s1)/C=N/n1c(C)nc2c1cccc2

STK570161
Synonyms: (2E)- 3- [5- (5- chloro- 2- methylphenyl)furan- 2- yl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Clc1ccc(c(c1)c1ccc(o1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C)C

STK570178
Synonyms: 2,3- dihydro- 1H- indol- 1- yl(6- fluoro- 2- methylquinolin- 4- yl)methanone
Smiles: Fc1ccc2c(c1)c(cc(n2)C)C(=O)N1CCc2c1cccc2

STK570185
Synonyms: (1Z,2E)- 1- {2- [4- (methoxycarbonyl)phenyl]- 1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}- 3- phenylprop- 2- en- 1- olate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(\C=C\c2ccccc2)/[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

STK570187
Synonyms: 4- methyl- 1- (pentan- 3- yl)- 1H- pyrazolo[3,4- b]pyridine- 3,6- diol
Smiles: CCC(n1nc(c2c1nc(O)cc2C)O)CC

STK570193
Synonyms: N- cyclohexyl- 1- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- prolinamide
Smiles: O=C([C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)NC1CCCCC1

STK570194
Synonyms: N- [(2Z)- 3- [(3- acetylphenyl)amino]quinoxalin- 2(1H)- ylidene]- 4- fluorobenzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(=O)C

STK570200
Synonyms: N- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- (4- cyclopentylpiperazin- 1- yl)- 4- oxobutanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C1CCCCC1)CCC(=O)N1CCN(CC1)C1CCCC1

STK570208
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (4- nitrophenyl)- N'- [(1E,2E)- 3- phenylprop- 2- en- 1- ylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)N/N=C/C=C/c1ccccc1

STK570222
Synonyms: 4- {(5Z)- 4- oxo- 2- thioxo- 5- [4- (trifluoromethyl)benzylidene]- 1,3- thiazolidin- 3- yl}butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C\c2ccc(cc2)C(F)(F)F)/C1=O

STK570233
Synonyms: 8- [(2E)- 2- (4- fluorobenzylidene)hydrazinyl]- 6- hydroxy- 7- (2- hydroxy- 3- phenoxypropyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(N/N=C/c2ccc(cc2)F)nc2c1c(O)nc(=O)n2C)COc1ccccc1

STK570238
Synonyms: 4- (2- {(Z)- [1- (4- methoxyphenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}- 1H- pyrrol- 1- yl)benzoicacid
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cccn2c2ccc(cc2)C(=O)O)/C1=O)S

STK570240
Synonyms: 2- methoxy- 6- [(E)- {2- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetyl]hydrazinylidene}methyl]phenylacetate
Smiles: COc1cccc(c1OC(=O)C)/C=N/NC(=O)Cn1nc(cc1C)[N+](=O)[O-]

STK570241
Synonyms: (5E)- 1- (4- chlorophenyl)- 2,6- dioxo- 5- {1- [(pyridinium- 3- ylmethyl)amino]ethylidene}- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCc2ccc[nH+]c2)/C)/C1=O)[O-]

STK570245
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- N'- [(2E)- 5- (propan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: COc1cc(CCNC(=O)CCC(=O)/N=c/2\[nH]nc(s2)C(C)C)ccc1OC

STK570247
Synonyms: N- (4- methylphenyl)- 1- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- prolinamide
Smiles: Cc1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK570249
Synonyms: 4- {4- [(4- methylphenyl)sulfonyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STK570251
Synonyms: N- [(2E)- 5- methyl- 1,3,4- thiadiazol- 2(3H)- ylidene]naphthalene- 1- carboxamide
Smiles: Cc1n[nH]/c(=N\C(=O)c2cccc3c2cccc3)/s1

STK570261
Synonyms: 4- {[(E)- (3- hydroxyphenyl)methylidene]amino}- 5- (5- methyl- 1H- pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)C

STK570268
Synonyms: 2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)acetamide
Smiles: O=C(CN1C(=O)c2c(C1=O)cccc2)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccccc1

STK570278
Synonyms: methylN- [(2,5- dimethoxyphenyl)carbamoyl]- D- alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1cc(OC)ccc1OC)C

STK570279
Synonyms: N- [(2E)- 6- (morpholin- 4- ylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: O=C(C1CCCO1)/N=c/1\[nH]c2c(s1)cc(cc2)S(=O)(=O)N1CCOCC1

STK570281
Synonyms: (5E)- 5- {[1- (3- chloropropyl)- 2,3- dihydro- 1H- indol- 5- yl]methylidene}- 1- cyclopropyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: ClCCCN1CCc2c1ccc(c2)/C=C/1\C(=O)N=C(N(C1=O)C1CC1)S

STK570287
Synonyms: ethyl{6- hydroxy- 2- [N'- (naphthalen- 2- yl)carbamimidamido]pyrimidin- 4- yl}acetate
Smiles: CCOC(=O)Cc1nc(NC(=N)Nc2ccc3c(c2)cccc3)nc(c1)O

STK847468
Synonyms: (5Z)- 5- (2,4- dimethoxybenzylidene)- 3- (morpholin- 4- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)N1CCOCC1

STK570292
Synonyms: 5- (benzyloxy)- 2- [4- (4- methoxyphenyl)- 1H- pyrazol- 5- yl]phenol
Smiles: COc1ccc(cc1)c1cn[nH]c1c1ccc(cc1O)OCc1ccccc1

STK570314
Synonyms: 3- (3,4- dimethoxyphenyl)- 5- (5- methoxy- 2- methyl- 4- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(cc1OC)C1=NOC2C1C(=O)N(C2=O)c1cc(OC)c(cc1C)[N+](=O)[O-]

STK570315
Synonyms: 3- (2- chlorophenyl)- 5- [(4- nitrobenzyl)sulfanyl]- 4H- 1,2,4- triazol- 4- amine
Smiles: Nn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccccc1Cl

STK847471
Synonyms: 2- {[4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N)nnc1c1cccc(c1)C

STK570317
Synonyms: methyl4- [(5- {2- hydroxy- 4- [(4- nitrobenzyl)oxy]phenyl}- 1H- pyrazol- 4- yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1cn[nH]c1c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]

STK570319
Synonyms: 2- {[(2E)- 6- ethyl- 4- methylquinazolin- 2(1H)- ylidene]amino}- 7- (furan- 2- yl)- 7,8- dihydroquinazolin- 5(6H)- one
Smiles: CCc1ccc2c(c1)c(C)n/c(=N/c1ncc3c(n1)CC(CC3=O)c1ccco1)/[nH]2

STK570321
Synonyms: (5Z)- 5- {[2,5- dimethyl- 1- (pyridin- 4- yl)- 1H- pyrrol- 3- yl]methylidene}- 1- (4- methoxyphenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccncc2)C)/C1=O)S

STK847473
Synonyms: 5- phenyl- 3,6- dihydro- 2H- 1,3,4- thiadiazin- 2- imine
Smiles: N=C1SCC(=NN1)c1ccccc1

STK847474
Synonyms: 1- (2,1,3- benzothiadiazol- 4- yl)- 3- phenylurea
Smiles: O=C(Nc1cccc2c1nsn2)Nc1ccccc1

STK847475
Synonyms: 4- oxo- 3- [4- (propoxycarbonyl)phenoxy]- 4H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)N1CCOCC1

STK570341
Synonyms: 2- ethoxy- 4- {(E)- [5- iminio- 7- oxo- 2- (pentan- 3- yl)- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}phenolate
Smiles: CCOc1cc(ccc1[O-])/C=C\1/C(=O)N=c2n(C1=[NH2+])nc(s2)C(CC)CC

STK570345
Synonyms: N- butyl- 4- chloro- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: CCCCN(C(=O)c1ccc(cc1)Cl)Cc1cc2cc(C)ccc2[nH]c1=O

STK847476
Synonyms: N- [(2E)- 6- (ethylsulfamoyl)- 1,3- benzothiazol- 2(3H)- ylidene]pyridine- 3- carboxamide
Smiles: CCNS(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cccnc1)/[nH]2

STK570360
Synonyms: 4- {[(3Z)- 3- {[(4- fluorophenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: Fc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(cc1)C(=O)O

STK570363
Synonyms: 2- [4- (3,4- dimethylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2ccc(c(c2)C)C)c2c([nH+]1)cccc2

STK570375
Synonyms: N- ethyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]pyridine- 2- carboxamide
Smiles: CCN(C(=O)c1ccccn1)Cc1cc2cc(C)ccc2[nH]c1=O

STK570381
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 6- (2,6- dimethylmorpholin- 4- yl)- 5- nitropyrimidin- 4- amine
Smiles: CC1OC(C)CN(C1)c1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

STK847479
Synonyms: 6- (2,6- dimethylmorpholin- 4- yl)- N~2~- (3- methylbutyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CC(CCNc1nc(N2CC(C)OC(C2)C)c(c(n1)N)[N+](=O)[O-])C

STK570382
Synonyms: 2,2'- {[4- methoxy- 3- (morpholin- 4- ylmethyl)phenyl]methanediyl}bis(5,5- dimethylcyclohexane- 1,3- dione)
Smiles: COc1ccc(cc1CN1CCOCC1)C(C1C(=O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

STK847480
Synonyms: (2E)- 2- (4- hydroxyquinazolin- 2- yl)- 3- {5- [3- (trifluoromethyl)phenyl]furan- 2- yl}prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(o1)c1cccc(c1)C(F)(F)F)/c1nc(O)c2c(n1)cccc2

STK570387
Synonyms: 3- (2- ethoxyphenoxy)- 7- [(4- methoxybenzyl)oxy]- 4H- chromen- 4- one
Smiles: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)OC

STK570398
Synonyms: 3- chloro- N- [(2Z)- 3- [(4- methoxyphenyl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: COc1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)Cl

STK570406
Synonyms: 4- [4- (2,4- dimethylbenzyl)piperazin- 1- yl]- N- [(2Z)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2ccc(cc2C)C)/s1

STK570408
Synonyms: 4- hydroxy- 1- methyl- 9- (4- phenoxyphenyl)- 6,7,8,9- tetrahydropyrimido[2,1- f]purin- 2(1H)- one
Smiles: Oc1nc(=O)n(c2c1n1CCCN(c1n2)c1ccc(cc1)Oc1ccccc1)C

STK570409
Synonyms: 4- [3- (4- methoxyphenoxy)prop- 1- yn- 1- yl]- 1- methylpiperidin- 4- ylpropanoate
Smiles: CCC(=O)OC1(CCN(CC1)C)C#CCOc1ccc(cc1)OC

STK570411
Synonyms: N- [(2E)- 3- cyano- 1- (3- ethoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methyl- 3- nitrobenzamide
Smiles: CCOCCCn1/c(=N/C(=O)c2ccc(c(c2)[N+](=O)[O-])C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK570412
Synonyms: N- [(2Z)- 3- (benzylamino)quinoxalin- 2(1H)- ylidene]- 3- chlorobenzenesulfonamide
Smiles: Clc1cccc(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1NCc1ccccc1

STK570419
Synonyms: (5E)- 5- (1- {[3- (morpholin- 4- ium- 4- yl)propyl]amino}propylidene)- 2,6- dioxo- 1- phenyl- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)[O-])/NCCC[NH+]1CCOCC1

STK570422
Synonyms: 1- cycloheptyl- 4- (3- nitrophenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: OC1=Nc2c(C(SC1)c1cccc(c1)[N+](=O)[O-])c(nn2C1CCCCCC1)O

STK570424
Synonyms:
Smiles: O=S(=O)(c1cccc2c1nsn2)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(cc1)OCc1ccccc1

STK570430
Synonyms: 5- {1- [(3,5- dimethoxybenzyl)amino]ethylidene}- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cc(CNC(=C2C(=O)N(C)C(=O)N(C2=O)C)C)cc(c1)OC

STK570431
Synonyms: N- {(2E)- 3- cyano- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene}- 4- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)[N+](=O)[O-])CCCOC(C)C)nc1n(c2=O)cccc1

STK570437
Synonyms: 2- tert- butyl4- ethyl5- ({(Z)- 2- cyano- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]ethenyl}amino)- 3- methylthiophene- 2,4- dicarboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2cc3ccccc3oc2=O)/C#N)sc(c1C)C(=O)OC(C)(C)C

STK570439
Synonyms: 3- {[(3Z)- 3- {[(2,5- dimethylphenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: Cc1ccc(c(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(=O)O)C

STK570443
Synonyms: 3- amino- N- (5- chloro- 2- methoxyphenyl)- 6- (furan- 2- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccc(cc1NC(=O)c1sc2c(c1N)ccc(n2)c1ccco1)Cl

STK570452
Synonyms: N- (4- methylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]thiophene- 2- carboxamide
Smiles: Cc1ccc(cc1)N(C(=O)c1cccs1)Cc1cc2ccccc2[nH]c1=O

STK570455
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 2- (4- methylphenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCCn1c[nH+]cc1)/[O-]

STK570456
Synonyms: 3- (4- fluorophenyl)- 6- hydroxy- 6'- methoxy- 1'- methyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: COc1ccc2c(c1)CC1(CN2C)C(=NC(=O)N(C1=O)c1ccc(cc1)F)O

STK570468
Synonyms: N- {4- amino- 6- [(4- chlorophenyl)amino]- 5- nitropyrimidin- 2- yl}glycine
Smiles: OC(=O)CNc1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK570471
Synonyms: (1S)- 1- {5- [(3- chlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- (1H- indol- 3- yl)ethanamine
Smiles: Clc1cccc(c1)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK570477
Synonyms: 3- (6,6- dimethyl- 5,6- dihydro[1,3]thiazolo[2,3- c][1,2,4]triazol- 1- ium- 3- yl)phenolate
Smiles: [O-]c1cccc(c1)c1n[nH+]c2n1CC(S2)(C)C

STK570479
Synonyms: 5- (4- chloro- 2- methoxy- 5- methylphenyl)- 3- (4- chlorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(Cl)c(cc1N1C(=O)C2C(C1=O)C(=NO2)c1ccc(cc1)Cl)C

STK570480
Synonyms: N'- [(1Z)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)propyl]- 2- hydroxybenzohydrazide
Smiles: CC/C(=C/1\C(=NC(=NC1=O)O)O)/NNC(=O)c1ccccc1O

STK570487
Synonyms: (1S)- 1- {5- [(3,4- dichlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- (1H- indol- 3- yl)ethanamine
Smiles: N[C@H](c1nnc(o1)SCc1ccc(c(c1)Cl)Cl)Cc1c[nH]c2c1cccc2

STK570489
Synonyms: 4- {[(1Z)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)ethyl]amino}benzoicacid
Smiles: OC1=NC(=O)/C(=C(\Nc2ccc(cc2)C(=O)O)/C)/C(=N1)O

STK570491
Synonyms: 1- (3,4- dihydroxyphenyl)- 2- {[4- ethyl- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: CCn1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1cccc(c1)C

STK570494
Synonyms: (5E)- 1- ethyl- 5- [(1- ethyl- 1H- indol- 3- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCN1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CC)/C1=O)S

STK570495
Synonyms: methyl2- [(3E)- 3- (hydroxy{4- [(3- methylbenzyl)oxy]phenyl}methylidene)- 4,5- dioxo- 2- (pyridin- 3- yl)pyrrolidin- 1- yl]- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(c2cccnc2)/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\O)/C(=O)C1=O

STK570501
Synonyms: 2- {[5- (4- tert- butylphenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (3,4- dihydroxyphenyl)ethanone
Smiles: CCn1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccc(cc1)C(C)(C)C

STK847485
Synonyms: 8- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 3- (4- methoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)Oc1ccc(cc1)OC)C(F)(F)F

STK570505
Synonyms: 6- hydroxy- 8- [(2E)- 2- (3- hydroxybenzylidene)hydrazinyl]- 7- (2- hydroxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(N/N=C/c2cccc(c2)O)nc2c1c(O)nc(=O)n2C

STK570524
Synonyms: N- [(3Z)- 1- ethyl- 6- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 3,4- dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)/N=c/1\[nH]n(c2c1cc1cc(C)ccc1n2)CC

STK847490
Synonyms: 2- ethyl- 4- (morpholin- 4- yl)[1]benzofuro[3,2- d]pyrimidine
Smiles: CCc1nc(N2CCOCC2)c2c(n1)c1ccccc1o2

STK570528
Synonyms: 2- methyl- N- (propan- 2- yl)[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CC(Nc1nc(C)nc2c1oc1c2cccc1)C

STK570529
Synonyms: tert- butyl[4- (5- {[(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methyl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)butyl]carbamate
Smiles: O=C(OC(C)(C)C)NCCCCc1nnc(o1)SCc1c(C)nc(nc1O)O

STK570531
Synonyms: 2- (1',2,3'- trioxo- 1,1',2,3',3a',6',7',8',8a',8b'- decahydro- 2'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizin]- 2'- yl)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cccc2

STK570535
Synonyms: (2Z)- 3- (4- bromophenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Brc1ccc(cc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STK570539
Synonyms: ethyl3- ({[(2S)- 1- methoxy- 1- oxopropan- 2- yl]carbamoyl}amino)benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)N[C@H](C(=O)OC)C

STK570542
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (4- ethylphenyl)methylidene]- 5- (4- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCc1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N

STK570548
Synonyms: 3- {[(2E,5E)- 5- (2,5- dimethoxybenzylidene)- 4- oxo- 1,3- thiazolidin- 2- ylidene]amino}benzoicacid
Smiles: COc1ccc(c(c1)/C=C\1/S/C(=N/c2cccc(c2)C(=O)O)/NC1=O)OC

STK570552
Synonyms: 4- methoxy- N- [(6E)- 8- methyl[1,3]dioxolo[4,5- g]quinazolin- 6(5H)- ylidene]aniline
Smiles: COc1ccc(cc1)/N=c\1/nc(C)c2c([nH]1)cc1c(c2)OCO1

STK570555
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCC(c1ccccc1)c1ccccc1)C

STK570556
Synonyms: 4- ethyl2- methyl5- ({(Z)- 2- cyano- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)- 3- methylthiophene- 2,4- dicarboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2cccc(c2)[N+](=O)[O-])/C#N)sc(c1C)C(=O)OC

STK570559
Synonyms: (5E)- 5- {1- [(2,4- dimethoxyphenyl)amino]ethylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: COc1ccc(c(c1)OC)N/C(=C/1\C(=NC(=NC1=O)O)O)/C

STK570560
Synonyms: N- [(2Z)- 3- {[2- (cyclohex- 1- en- 1- yl)ethyl]amino}quinoxalin- 2(1H)- ylidene]- 3,4- dimethylbenzenesulfonamide
Smiles: Cc1ccc(cc1C)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1NCCC1=CCCCC1

STK570563
Synonyms: (2- oxo- 1,2- dihydroquinolin- 3- yl)methyl3,4,5- trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)OCc1cc2ccccc2[nH]c1=O

STK570564
Synonyms: methylN- {[2- (2- fluorophenyl)ethyl]carbamoyl}- L- methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)NCCc1ccccc1F

STK570566
Synonyms: (2Z)- 2- (2- fluorobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl3- nitrobenzoate
Smiles: O=C1/C(=C/c2ccccc2F)/Oc2c1ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK570567
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NC1CCCc2c1cccc2)C

STK847493
Synonyms: N- [(2Z)- 5- (4- chlorobenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]furan- 2- carboxamide
Smiles: Clc1ccc(cc1)Cc1n[nH]/c(=N/C(=O)c2ccco2)/s1

STK570570
Synonyms: 4- tert- butyl- N- ethyl- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: CCN(C(=O)c1ccc(cc1)C(C)(C)C)Cc1cc2cccc(c2[nH]c1=O)C

STK570573
Synonyms: 7- [(2- chloro- 4- fluorobenzyl)oxy]- 3- (3,4- dimethoxyphenyl)- 2- methyl- 4H- chromen- 4- one
Smiles: COc1cc(ccc1OC)c1c(C)oc2c(c1=O)ccc(c2)OCc1ccc(cc1Cl)F

STK570589
Synonyms: (5E)- 5- (1- {[3- (morpholin- 4- ium- 4- yl)propyl]amino}ethylidene)- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCCC[NH+]2CCOCC2)/C)/C1=O)[O-]

STK570595
Synonyms: 2- {5- [(2,6- dichlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}ethanamine
Smiles: NCCc1nnc(o1)SCc1c(Cl)cccc1Cl

STK570601
Synonyms: N- [(3E)- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: CC(Cn1[nH]/c(=N/C(=O)C2CCCO2)/c2c1nc1ccccc1c2)C

STK570604
Synonyms: ethyl(2Z)- 2- {[(2- methyl- 3- nitrophenyl)carbonyl]imino}- 5- oxo- 1- pentyl- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCCCCn1/c(=N\C(=O)c2cccc(c2C)[N+](=O)[O-])/c(cc2c1nc1ccccn1c2=O)C(=O)OCC

STK570612
Synonyms: {[4- (4- ethoxyphenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 2- ium- 3- yl]sulfanyl}acetate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)[O-])[nH+]nc1c1ccc(cc1)OC

STK570613
Synonyms: 8- (benzylamino)- 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(NCc2ccccc2)nc2c1c(O)nc(=O)n2C

STK570615
Synonyms: 4- chloro- N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]- N- phenylbenzamide
Smiles: Clc1ccc(cc1)C(=O)N(c1ccccc1)Cc1cc(=O)[nH]c2c1cccc2

STK570618
Synonyms: (5E)- 5- {1- [(4- fluorophenyl)amino]ethylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(/Nc2ccc(cc2)F)\C)/C(=N1)O

STK570620
Synonyms: 6- chloro- 4- phenyl- 3- (phenylamino)quinolin- 2- ol
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)Nc1ccccc1

STK570624
Synonyms: 7- (3- ammoniopyrrolidin- 1- yl)- 8- chloro- 1- cyclopropyl- 6- fluoro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylate
Smiles: Fc1cc2c(c(c1N1CCC(C1)[NH3+])Cl)n(cc(c2=O)C(=O)[O-])C1CC1

STK570632
Synonyms: (E)- {1- [3- (diethylammonio)propyl]- 4,5- dioxo- 2- (pyridin- 3- yl)pyrrolidin- 3- ylidene}(2,3- dihydro- 1,4- benzodioxin- 6- yl)methanolate
Smiles: CC[NH+](CCCN1C(c2cccnc2)/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=O)CC

STK847496
Synonyms: N- [(2Z)- 5- (4- methoxybenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCC(=O)/N=c\1/[nH]nc(s1)Cc1ccc(cc1)OC

STK570640
Synonyms: (3R)- N- cyclopropyl- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: O=C([C@@H]1CSC2N1C(=O)c1c2cccc1)NC1CC1

STK570642
Synonyms: 3- [(3E)- 3- [(2E)- 1- hydroxy- 3- phenylprop- 2- en- 1- ylidene]- 2- (3- methoxyphenyl)- 4,5- dioxopyrrolidin- 1- yl]benzoicacid
Smiles: COc1cccc(c1)C1N(c2cccc(c2)C(=O)O)C(=O)C(=O)/C/1=C(\C=C\c1ccccc1)/O

STK570646
Synonyms: N- methyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]cyclohexanecarboxamide
Smiles: O=C(N(Cc1cc2ccccc2[nH]c1=O)C)C1CCCCC1

STK570647
Synonyms: 8- (ethylamino)- 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(NCC)nc2c1c(O)nc(=O)n2C

STK570651
Synonyms: N'- (4- oxo- 4H- pyrido[3,2- e][1,3]thiazin- 2- yl)thiophene- 2- carbohydrazide
Smiles: O=C(c1cccs1)NNc1nc(=O)c2c(s1)nccc2

STK570652
Synonyms: (1S)- 2- (1H- indol- 3- yl)- 1- {5- [(4- methylbenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}ethanamine
Smiles: Cc1ccc(cc1)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK570657
Synonyms: 2- [4- (3- bromophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Brc1cccc(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK570664
Synonyms: 3- {[(1E)- 1- (6- hydroxy- 1,3- dimethyl- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)propylidene]amino}benzoicacid
Smiles: CC/C(=N\c1cccc(c1)C(=O)O)/c1c(O)n(C)c(=O)n(c1=O)C

STK570671
Synonyms: N- [1- (4- bromophenyl)- 2- phenylethyl]- 1- azabicyclo[2.2.2]octan- 3- amine
Smiles: Brc1ccc(cc1)C(Cc1ccccc1)NC1CN2CCC1CC2

STK570679
Synonyms: 4- (4- bromophenyl)- 1- cyclohexyl- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7- ol
Smiles: OC1=Nc2c(C(SC1)c1ccc(cc1)Br)cnn2C1CCCCC1

STK570685
Synonyms: (4E)- 5- (2,4- dichlorophenyl)- 4- [(4- ethoxyphenyl)(hydroxy)methylidene]- 1- [2- (2- hydroxyethoxy)ethyl]pyrrolidine- 2,3- dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC)/O)/C1c1ccc(cc1Cl)Cl

STK570687
Synonyms: 2- methoxy- 4- [(E)- {2- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetyl]hydrazinylidene}methyl]phenylbenzoate
Smiles: COc1cc(/C=N/NC(=O)Cn2nc(cc2C)[N+](=O)[O-])ccc1OC(=O)c1ccccc1

STK570694
Synonyms: tert- butyl{3- oxo- 3- [(2E)- 2- (quinoxalin- 6- ylmethylidene)hydrazinyl]propyl}carbamate(non- preferredname)
Smiles: O=C(N/N=C/c1ccc2c(c1)nccn2)CCNC(=O)OC(C)(C)C

STK570702
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (tetrahydrofuran- 2- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methyl- 3- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC1CCCO1)nc1n(c2=O)cccc1C

STK570708
Synonyms: (5Z)- 2- amino- 6- hydroxy- 5- [2- (1- oxo- 1,3- dihydro- 2- benzofuran- 5- yl)hydrazinylidene]pyrimidin- 4(5H)- one
Smiles: NC1=NC(=O)/C(=N\Nc2ccc3c(c2)COC3=O)/C(=N1)O

STK570712
Synonyms: (5Z)- 2,6- dihydroxy- 5- {1- [(1- phenylethyl)amino]propylidene}pyrimidin- 4(5H)- one
Smiles: CC/C(=C/1\C(=NC(=NC1=O)O)O)/NC(c1ccccc1)C

STK570713
Synonyms: 2- [4- (2,5- dimethylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Cc1ccc(c(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C

STK570723
Synonyms: (5Z)- 5- {[1- (4- chlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 1- methyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Clc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)C)S

STK570728
Synonyms: methyl[(5E)- 5- {[(3- nitrophenyl)carbonyl]imino}- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl]acetate
Smiles: COC(=O)Cc1n[nH]/c(=N\C(=O)c2cccc(c2)[N+](=O)[O-])/s1

STK570734
Synonyms: 4- [4- (pyridin- 2- yl)piperazin- 1- yl][1]benzofuro[3,2- d]pyrimidine
Smiles: c1ccc(nc1)N1CCN(CC1)c1ncnc2c1oc1c2cccc1

STK570739
Synonyms: (5E)- 5- {[(2,3- dimethylcyclohexyl)amino]methylidene}- 1- ethyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCN1C(=NC(=O)/C(=C\NC2CCCC(C2C)C)/C1=O)S

STK570749
Synonyms: (1S)- 1- {5- [(2,4- dichlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- (1H- indol- 3- yl)ethanamine
Smiles: Clc1ccc(c(c1)Cl)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK570761
Synonyms: 4- (2,4- dichlorophenyl)- 3- methyl- 1- (4- methylphenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7- ol
Smiles: OC1=Nc2n(nc(c2C(SC1)c1ccc(cc1Cl)Cl)C)c1ccc(cc1)C

STK847503
Synonyms: 1- (hexan- 2- yl)- 4- methyl- 1H- pyrazolo[3,4- b]pyridine- 3,6- diol
Smiles: CCCCC(n1nc(c2c1nc(O)cc2C)O)C

STK570766
Synonyms: 4- (4- methoxyphenyl)- 3- [(4- methylbenzyl)sulfanyl]- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)C)nnc1COc1ccc(cc1)C

STK570773
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- N'- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)NCc2ccc3c(c2)OCO3)/s1

STK570777
Synonyms: 2- [4- (2- bromophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Brc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK570792
Synonyms: (8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methylthiophene- 2- carboxylate
Smiles: O=C(c1cccs1)OCc1cc2cccc(c2[nH]c1=O)C

STK570803
Synonyms: 3- (4- {(5E)- 4- oxo- 5- [(5- phenylfuran- 2- yl)methylidene]- 4,5- dihydro- 1,3- thiazol- 2- yl}piperazin- 1- yl)propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(o2)c2ccccc2)/S1

STK570804
Synonyms: 6- {(5Z)- 4- oxo- 2- thioxo- 5- [4- (trifluoromethyl)benzylidene]- 1,3- thiazolidin- 3- yl}hexanoicacid
Smiles: OC(=O)CCCCCN1C(=S)S/C(=C\c2ccc(cc2)C(F)(F)F)/C1=O

STK570806
Synonyms: 2- benzyl- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: [O-]c1ccc2c(c1)Oc1c(C2c2ccccc2)c2nc([nH+]n2cn1)Cc1ccccc1

STK570810
Synonyms: 5- (benzyloxy)- 2- [4- (2- ethoxyphenoxy)- 1H- pyrazol- 5- yl]phenol
Smiles: CCOc1ccccc1Oc1cn[nH]c1c1ccc(cc1O)OCc1ccccc1

STK570812
Synonyms: (5E)- 5- ({[3- chloro- 4- (morpholin- 4- yl)phenyl]amino}methylidene)- 6- hydroxy- 3- (3- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=O)N=C(/C(=C\Nc2ccc(c(c2)Cl)N2CCOCC2)/C1=O)O

STK570815
Synonyms: 6'- amino- 2- methyl- 3'- propyl- 4,5- dihydro- 2'H- spiro[furan- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: CCCc1[nH]nc2c1C1(CCOC1C)C(=C(O2)N)C#N

STK570818
Synonyms: 2- [(1E)- 1- (2- {[1- (4- ammonio- 1,2,5- oxadiazol- 3- yl)- 5- (4- ethoxyphenyl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)ethyl]phenolate
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1ccccc1[O-])\C

STK570819
Synonyms: 7,9,9- trimethyl- 9a- [(E)- 2- (thiophen- 2- yl)ethenyl]- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: O=C1CN2C(N1)(/C=C/c1cccs1)C(c1c2ccc(c1)C)(C)C

STK570824
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)N1CCC(CC1)Cc1ccccc1)C

STK570826
Synonyms: 6- amino- 3- (4- propoxyphenyl)- 4- (3,4,5- trimethoxyphenyl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCCOc1ccc(cc1)c1[nH]nc2c1C(c1cc(OC)c(c(c1)OC)OC)C(=C(O2)N)C#N

STK570828
Synonyms: (5E)- 5- [(6- methoxy- 1,3- benzodioxol- 5- yl)methylidene]- 2- sulfanyl- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc2OCOc2cc1/C=C\1/SC(=NC1=O)S

STK570831
Synonyms: 4- [(benzylamino)methyl]quinolin- 2(1H)- one
Smiles: O=c1cc(CNCc2ccccc2)c2c([nH]1)cccc2

STK570833
Synonyms: 5- [(2- fluorobenzyl)oxy]- 2- [4- (2- methoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]phenol
Smiles: COc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1F

STK570834
Synonyms: 2- [(E)- 2- (dimethylamino)ethenyl]- 7- [(dimethylammonio)methyl]- 1- (4- methoxyphenyl)- 3- nitro- 1H- indol- 6- olate
Smiles: COc1ccc(cc1)n1c2c(C[NH+](C)C)c([O-])ccc2c(c1/C=C/N(C)C)[N+](=O)[O-]

STK570843
Synonyms: N- [(2E)- 4- (3- bromo- 4- methoxyphenyl)- 1,3- thiazol- 2(3H)- ylidene]- 2- chloropyridine- 3- carboxamide
Smiles: COc1ccc(cc1Br)c1cs/c(=N/C(=O)c2cccnc2Cl)/[nH]1

STK570849
Synonyms: 4- (4- fluorophenyl)- 2- phenyl- 1,2,3,4- tetrahydropyrimido[1,2- a]benzimidazole
Smiles: Fc1ccc(cc1)C1CC(Nc2n1c1ccccc1n2)c1ccccc1

STK570854
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCC(=O)Nc1cc(C)ccc1C)N)C

STK570855
Synonyms: (5E)- 1- (4- methylphenyl)- 2,6- dioxo- 5- {1- [(pyridinium- 3- ylmethyl)amino]ethylidene}- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCc2ccc[nH+]c2)/C)/C1=O)[O-]

STK570857
Synonyms:
Smiles: CCn1c2ccc(cc2c2c1cccc2)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STK570861
Synonyms: 4- (2- methoxyphenyl)- 1- (propan- 2- yl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: COc1ccccc1C1SCC(=Nc2c1c(O)nn2C(C)C)O

STK570866
Synonyms: 1,3- dimethyl- 5- [2- (4- nitrobenzyl)- 3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(C(=O)N1C)C1N(Cc2ccc(cc2)[N+](=O)[O-])C(=O)c2c1cccc2

STK847507
Synonyms: (2E,5Z)- 2- [(4- hydroxyphenyl)imino]- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]- 1,3- thiazolidin- 4- one
Smiles: Oc1ccc(cc1)/N=C/1\NC(=O)/C(=C/c2cn(c3c2cccc3)C)/S1

STK570880
Synonyms: ethyl(2Z)- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 2- {[(3,4,5- trimethoxyphenyl)carbonyl]imino}- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2cc(OC)c(c(c2)OC)OC)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK570884
Synonyms: 5,5- dimethyl- 3- [2- (5- sulfanyl- 1H- 1,2,4- triazol- 3- yl)ethyl]dihydrofuran- 2(3H)- one
Smiles: O=C1OC(CC1CCc1n[nH]c(n1)S)(C)C

STK570886
Synonyms: N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- propylpyridine- 2- carboxamide
Smiles: CCCN(C(=O)c1ccccn1)Cc1cc2ccccc2[nH]c1=O

STK570893
Synonyms: ethyl(2Z)- 2- {[(4- methyl- 3- nitrophenyl)carbonyl]imino}- 5- oxo- 1- pentyl- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCCCCn1/c(=N\C(=O)c2ccc(c(c2)[N+](=O)[O-])C)/c(cc2c1nc1ccccn1c2=O)C(=O)OCC

STK570894
Synonyms: (1S)- 2- (1H- indol- 3- yl)- 1- {5- [(3- methylbenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}ethanamine
Smiles: Cc1cccc(c1)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK570896
Synonyms: (2Z)- 7- methyl- 2- {[3- (trifluoromethyl)phenyl]imino}- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: CC1CC(=O)c2c(C1)[nH]/c(=N/c1cccc(c1)C(F)(F)F)/nc2

STK570908
Synonyms: 1- (3,4- dihydroxyphenyl)- 2- {[4- ethyl- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)c1nnc(n1CC)SCC(=O)c1ccc(c(c1)O)O

STK570911
Synonyms: 6- amino- 3- (4- ethoxy- 3- methoxyphenyl)- 4- (2,4,5- trimethoxyphenyl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCOc1ccc(cc1OC)c1[nH]nc2c1C(C(=C(O2)N)C#N)c1cc(OC)c(cc1OC)OC

STK570922
Synonyms: N- [(3,4- dimethoxyphenyl)carbamoyl]- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(c(c1)OC)OC

STK570928
Synonyms: 8- [(2,6- dimethylmorpholin- 4- yl)methyl]- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC1CN(CC(O1)C)Cc1[nH]c2c(n1)n(C)c(=O)nc2O

STK847513
Synonyms: N- [(2Z)- 5- methyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- phenylquinoline- 4- carboxamide
Smiles: Cc1n[nH]/c(=N/C(=O)c2cc(nc3c2cccc3)c2ccccc2)/s1

STK570933
Synonyms: 2- ({[(7- methyl- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 9- yl)oxy]acetyl}amino)benzamide
Smiles: O=C(Nc1ccccc1C(=O)N)COc1cc(C)cc2c1c1CCCc1c(=O)o2

STK570934
Synonyms: {(5S)- 5- (cycloheptylcarbamoyl)- 3- [(E)- 2- phenylethenyl]- 4,5- dihydro- 1,2- oxazol- 5- yl}aceticacid
Smiles: O=C([C@@]1(ON=C(C1)/C=C/c1ccccc1)CC(=O)O)NC1CCCCCC1

STK570935
Synonyms: N'- [(E)- (4- hydroxy- 2,6- dioxo- 1- phenyl- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)NN/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O

STK570938
Synonyms: 2- {3- [8,9- di(furan- 2- yl)furo[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]propyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(CCCc2nc3n(n2)cnc2c3c(c3ccco3)c(o2)c2ccco2)C(=O)c2c1cccc2

STK570939
Synonyms: (2Z,5Z)- 5- [4- (dimethylamino)benzylidene]- 2- [(4- ethoxyphenyl)imino]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: CCOc1ccc(cc1)/N=C/1\S/C(=C\c2ccc(cc2)N(C)C)/C(=N1)O

STK570942
Synonyms: 3- {[(1E,2E)- 2- benzylideneheptylidene]amino}- 2- hydroxy- 8- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCCCC/C(=C\c1ccccc1)/C=N/n1c(O)nc2c(c1=O)[nH]c1c2cc(cc1)C

STK570944
Synonyms: (5E)- 5- {[5- (2,5- dichlorophenyl)furan- 2- yl]methylidene}- 1- (1,1- dioxidotetrahydrothiophen- 3- yl)- 4- methyl- 2,6- dioxo- 1,2,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(C)/C(=C\c2ccc(o2)c2cc(Cl)ccc2Cl)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK570945
Synonyms: (5E)- 5- {[5- (3,4- dichlorophenyl)furan- 2- yl]methylidene}- 1- (1,1- dioxidotetrahydrothiophen- 3- yl)- 4- methyl- 2,6- dioxo- 1,2,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(C)/C(=C\c2ccc(o2)c2ccc(c(c2)Cl)Cl)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK847517
Synonyms: N- (1- methoxypropan- 2- yl)- 1- (3- methoxypropyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NC(COC)C

STK847518
Synonyms: 5- methyl- 3- (4- methylphenyl)- N- (tetrahydrofuran- 2- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1ccc(cc1)c1cnn2c1nc(C)cc2NCC1CCCO1

STK570954
Synonyms: 5- tert- butyl- 3- (4- chlorophenyl)- 7- (4- ethylpiperazin- 1- yl)pyrazolo[1,5- a]pyrimidine
Smiles: CCN1CCN(CC1)c1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C

STK570956
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- 1- (morpholin- 4- yl)ethanone
Smiles: Cc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)N1CCOCC1

STK570960
Synonyms: ethyl[3- (furan- 2- ylmethyl)- 4- imino- 6,6- dimethyl- 2- oxo- 3,4,5,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 1(6H)- yl]acetate
Smiles: CCOC(=O)Cn1c(=O)n(Cc2ccco2)c(=N)c2c1sc1c2CC(OC1)(C)C

STK570962
Synonyms: 7- (2- chlorophenyl)- 2- cyclohexyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nc(n1)C1CCCCC1

STK570963
Synonyms: methylN- [(4- methylbenzyl)carbamoyl]- L- methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)NCc1ccc(cc1)C

STK847520
Synonyms: 2- ethyl- N- (2- methoxyethyl)- 5- methyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COCCNc1cc(C)nc2n1nc(c2c1ccccc1)CC

STK847521
Synonyms: 2- [2- amino- 5- (2- ethoxyphenoxy)pyrimidin- 4- yl]- 5- [(2- methylbenzyl)oxy]phenol
Smiles: CCOc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1ccccc1C)N

STK847522
Synonyms: 8- (furan- 2- ylmethyl)- 1,6,7- trimethyl- 3- (2- methylpropyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: CC(Cn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)Cc1ccco1)C

STK570970
Synonyms: (4- benzylpiperidin- 1- yl)(6- methoxy- 1H- indol- 2- yl)methanone
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N1CCC(CC1)Cc1ccccc1

STK570978
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 1H- pyrazole- 3- carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)NC1CCS(=O)(=O)C1)O

STK570979
Synonyms: N- (6,7- dimethoxy- 4- oxo- 2- sulfanylquinazolin- 3(4H)- yl)benzamide
Smiles: COc1cc2c(cc1OC)nc(n(c2=O)NC(=O)c1ccccc1)S

STK570980
Synonyms: 2- methyl- 3- phenyl- N- (1- phenylethyl)- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1ccccc1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C

STK570981
Synonyms: 7- (4- ethylpiperazin- 1- yl)- 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidine
Smiles: CCN1CCN(CC1)c1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C

STK847524
Synonyms: 3- (3- chlorophenyl)- 8- (2,5- dimethoxyphenyl)- 6- oxo- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: COc1ccc(c(c1)C1CC(=O)N2C(=C1C#N)SCN(C2)c1cccc(c1)Cl)OC

STK570986
Synonyms: N- (4- bromophenyl)- 3,3- dimethyl- 2- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: Brc1ccc(cc1)NC(=O)C12CCC(C1)C(C2=O)(C)C

STK570987
Synonyms: (2E)- 3- (10- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)prop- 2- enoicacid
Smiles: CC1Cc2c(CC1)sc1c2c2nc(nn2cn1)/C=C/C(=O)O

STK570989
Synonyms: N- (furan- 2- ylmethyl)- 3- (2- methyl- 1H- benzimidazol- 1- yl)propanamide
Smiles: O=C(CCn1c(C)nc2c1cccc2)NCc1ccco1

STK570990
Synonyms: N- (butylcarbamoyl)- D- phenylalanine
Smiles: CCCCNC(=O)N[C@@H](C(=O)O)Cc1ccccc1

STK570991
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK570992
Synonyms: 1- (3- hydroxyphenyl)- 2- (3- methoxypropyl)- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COCCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)c(C)cc(c1)C

STK570993
Synonyms: methylN- [(3- methoxybenzyl)carbamoyl]- D- leucinate
Smiles: COC(=O)[C@H](NC(=O)NCc1cccc(c1)OC)CC(C)C

STK570994
Synonyms: N- {4- [benzyl(methyl)sulfamoyl]phenyl}- 5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C

STK570997
Synonyms: (6,7- dimethoxy- 1- methylidene- 3,4- dihydroisoquinolin- 2(1H)- yl)[4- (piperidin- 1- ylsulfonyl)phenyl]methanone
Smiles: COc1cc2c(cc1OC)CCN(C2=C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1

STK570998
Synonyms: 7- cyclohexyl- 5- (4- methylpiperidin- 1- yl)- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c][2,7]naphthyridin- 1- amine
Smiles: CC1CCN(CC1)c1nc2[nH]nc(c2c2c1CN(CC2)C1CCCCC1)N

STK571002
Synonyms: (5Z)- 5- {4- [(4- chlorobenzyl)oxy]benzylidene}- 1- (1,1- dioxidotetrahydrothiophen- 3- yl)- 4- methyl- 2,6- dioxo- 1,2,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(C)/C(=C/c2ccc(cc2)OCc2ccc(cc2)Cl)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK571004
Synonyms: N- (4- chloro- 2,5- dimethoxyphenyl)- 5- hydroxy- 7,7- dimethyl- 2- oxo- 2,3,4,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: COc1cc(Cl)c(cc1NC(=O)C1CC(=O)N=C2C1=C(O)CC(C2)(C)C)OC

STK571005
Synonyms: 1- (4- chlorophenyl)- 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK571009
Synonyms: 2- (7- hydroxy- 4,8- dimethyl- 2- oxo- 2H- chromen- 3- yl)- N- (4- sulfamoylbenzyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2C)O)NCc1ccc(cc1)S(=O)(=O)N

STK571014
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 7- [3- (dimethylamino)propyl]- 5,6- dimethyl- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: COc1cc(CCNc2ncnc3c2c(C)c(n3CCCN(C)C)C)ccc1OC

STK571016
Synonyms: 9- (furan- 2- ylmethyl)- 7- (2- methoxyphenyl)- 7,9- dihydro- 8H- benzo[7,8]chromeno[2,3- d]pyrimidin- 8- imine
Smiles: COc1ccccc1C1c2c(ncn(c2=N)Cc2ccco2)Oc2c1ccc1c2cccc1

STK571019
Synonyms: 5- (4- chlorophenyl)- 1,3- dimethyl- 10- (4- oxo- 4H- chromen- 3- yl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Clc1ccc(cc1)c1c2c(c3n1CCOC3c1coc3c(c1=O)cccc3)n(C)c(=O)n(c2=O)C

STK571020
Synonyms: N- [3- (4- chlorophenyl)- 4- oxo- 4H- chromen- 2- yl]furan- 2- carboxamide
Smiles: Clc1ccc(cc1)c1c(NC(=O)c2ccco2)oc2c(c1=O)cccc2

STK571024
Synonyms: 4- [(4- benzylpiperazin- 1- yl)methyl]- 6- tert- butyl- 2H- chromen- 2- one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccccc2)c2c(o1)ccc(c2)C(C)(C)C

STK571025
Synonyms: (6- chloro- 5- methyl- 1- benzofuran- 3- yl)aceticacid
Smiles: OC(=O)Cc1coc2c1cc(C)c(c2)Cl

STK571029
Synonyms: 4- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 2H- benzo[h]chromen- 2- one
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1ccc1c2cccc1

STK847531
Synonyms: ethyl4- [(5- {2- hydroxy- 4- [(2- methylprop- 2- en- 1- yl)oxy]phenyl}- 3- methyl- 1H- pyrazol- 4- yl)oxy]benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCC(=C)C

STK571033
Synonyms: N- [(4- fluorobenzyl)carbamoyl]- L- valine
Smiles: CC([C@@H](C(=O)O)NC(=O)NCc1ccc(cc1)F)C

STK571034
Synonyms: 3- chloro- N- {[6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]methyl}- 1- benzothiophene- 2- carboxamide
Smiles: Clc1cn2c(CNC(=O)c3sc4c(c3Cl)cccc4)nnc2c(c1)C(F)(F)F

STK571035
Synonyms: tert- butyl{(1R)- 1- [5- (benzylsulfonyl)- 1,3,4- oxadiazol- 2- yl]ethyl}carbamate
Smiles: O=C(OC(C)(C)C)N[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccccc1)C

STK571039
Synonyms: {(5S)- 5- [(2,4- dimethylphenyl)carbamoyl]- 3- [3- methoxy- 4- (prop- 2- en- 1- yloxy)phenyl]- 4,5- dihydro- 1,2- oxazol- 5- yl}aceticacid
Smiles: C=CCOc1ccc(cc1OC)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1ccc(cc1C)C

STK571040
Synonyms: (8aR)- 7- (thiophen- 2- ylmethyl)tetrahydro[1,3]thiazolo[3,4- a]pyrazine- 5,8- dione
Smiles: O=C1N(CC(=O)N2[C@H]1CSC2)Cc1cccs1

STK571044
Synonyms: 5- methyl- 2- {[4- (propan- 2- yl)benzyl]amino}[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1cc(O)n2c(n1)nc(n2)NCc1ccc(cc1)C(C)C

STK571045
Synonyms: 2- [(2- fluorobenzyl)amino]- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1cc(O)n2c(n1)nc(n2)NCc1ccccc1F

STK571047
Synonyms: 1'- cyclohexyl- 2'- hydroxy- 1,2,3,4,5,5a- hexahydro- 4'H,7H,8H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2- a]azepine- 6,5'- pyrimidine]- 4',6',8(1'H)- trione
Smiles: OC1=NC(=O)C2(C(=O)N1C1CCCCC1)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2

STK571050
Synonyms: 7- (3,5- difluorophenyl)- 5- (furan- 2- yl)- 2- methyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Fc1cc(cc(c1)F)C1C=C(N=c2n1nc([nH]2)C)c1ccco1

STK847532
Synonyms: 3- amino- N- [2- (3,4- dimethoxyphenyl)ethyl]- 6- (4- fluorophenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cc(CCNC(=O)c2sc3c(c2N)ccc(n3)c2ccc(cc2)F)ccc1OC

STK571053
Synonyms: 7'- [(2,4- dioxo- 1,5- dioxaspiro[5.5]undec- 3- ylidene)methyl]- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CCC1)C=C1C(=O)OC2(OC1=O)CCCCC2

STK571054
Synonyms: 4- phenyl- 3,4,5,6- tetrahydrobenzo[h]quinazoline- 2- thiol
Smiles: SC1=NC2=C(C(N1)c1ccccc1)CCc1c2cccc1

STK847533
Synonyms: (2Z)- 2- (1,3- benzodioxol- 5- ylmethylidene)- 7- methyl- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- ylmethanesulfonate
Smiles: O=C1/C(=C/c2ccc3c(c2)OCO3)/Oc2c1ccc(c2C)OS(=O)(=O)C

STK571057
Synonyms: 5- methyl- 2- (methylsulfanyl)- 6- (naphthalen- 1- ylmethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: CSc1nn2c(n1)nc(c(c2O)Cc1cccc2c1cccc2)C

STK571058
Synonyms: N- {[4- (4- methylpiperidin- 1- yl)phenyl]carbamoyl}- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)N1CCC(CC1)C

STK571062
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- (3- hydroxypropyl)- 4- [4- (methylsulfanyl)phenyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1cc(Cl)c(cc1O)C

STK571065
Synonyms: (3aR,6aS)- 5- (2,4- dichlorophenyl)- 3- (2,5- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(cc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)OC

STK571067
Synonyms: 3- (4- methoxyphenyl)- 7- (naphthalen- 2- yl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: COc1ccc(cc1)C1=NOC2(C1)CC(=O)N(C2=O)c1ccc2c(c1)cccc2

STK847536
Synonyms: {4- [5- tert- butyl- 3- (4- methylphenyl)pyrazolo[1,5- a]pyrimidin- 7- yl]piperazin- 1- yl}acetonitrile
Smiles: N#CCN1CCN(CC1)c1cc(nc2n1ncc2c1ccc(cc1)C)C(C)(C)C

STK571072
Synonyms: 5- [(4- ethenylbenzyl)oxy]- 2- [5- (4- methoxyphenyl)pyrimidin- 4- yl]phenol
Smiles: COc1ccc(cc1)c1cncnc1c1ccc(cc1O)OCc1ccc(cc1)C=C

STK571073
Synonyms: 6,7- dimethoxy- 3- {[4- (4- methylphenyl)- 1,3- thiazol- 2- yl]amino}- 2- benzofuran- 1(3H)- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1scc(n1)c1ccc(cc1)C

STK571075
Synonyms: 8,9- dimethyl- 2- {[5- methyl- 2- (propan- 2- yl)phenoxy]methyl}furo[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccc(c(c1)OCc1nc2n(n1)cnc1c2c(C)c(o1)C)C(C)C

STK571076
Synonyms: ethyl4- (4,5,6,7- tetrahydro- 2H- indazol- 3- ylcarbonyl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)c1[nH]nc2c1CCCC2

STK571078
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 8- (4- methylpiperazin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)C)COc1cccc(c1)C

STK571081
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: COc1cc(CCNC(=O)c2n[nH]c(c2)c2ccc(cc2O)C)ccc1OC

STK571082
Synonyms: N- {[2- (trifluoromethyl)phenyl]carbamoyl}- L- valine
Smiles: O=C(Nc1ccccc1C(F)(F)F)N[C@H](C(=O)O)C(C)C

STK847538
Synonyms: N- {4- [(2,8,10- trimethylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidin- 4- yl)amino]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1cc(C)nc2n1nc1c2c(C)cc(n1)C

STK571084
Synonyms: 3- (4- chlorophenyl)- 7- (2- methyl- 1H- imidazol- 1- yl)- 5- phenylpyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2n1ccnc1C)c1ccccc1

STK571086
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- fluorobenzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1ccccc1F)C1CCS(=O)(=O)C1

STK847539
Synonyms: 2- methyl- N- [2- (morpholin- 4- yl)ethyl]- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCc1cc(NCCN2CCOCC2)n2c(n1)c(c1ccccc1)c(n2)C

STK847541
Synonyms: 3- (2,4- dimethoxyphenyl)- 6- oxo- 8- phenyl- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1)c1ccc(cc1OC)OC

STK571088
Synonyms: N- (3- cyanophenyl)- 2- (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)acetamide
Smiles: N#Cc1cccc(c1)NC(=O)CN1CCc2c(C1C)cc(c(c2)OC)OC

STK847542
Synonyms: 2- methyl- N- [3- (morpholin- 4- yl)propyl]- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1cc(NCCCN2CCOCC2)n2c(n1)c(c1ccccc1)c(n2)C)C

STK571090
Synonyms: 2- (4- fluorophenyl)- 9,9- dimethyl- 12- (pyridin- 3- yl)- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: Fc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2cccnc2)C2=C(O1)CC(CC2=O)(C)C

STK571096
Synonyms: 2- amino- 4- (3,4,5- trimethoxyphenyl)- 5,6,7,8,9,10- hexahydrocycloocta[b]pyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1cc(OC)c(c(c1)OC)OC)CCCCCC2

STK571103
Synonyms: 6- methoxy- N- (naphthalen- 2- yl)- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)Nc1ccc2c(c1)cccc2

STK847545
Synonyms: 3,6,6- trimethyl- N- (6- methylpyridin- 2- yl)- 4- oxo- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxamide
Smiles: Cc1cccc(n1)NC(=O)c1oc2c(c1C)C(=O)CC(C2)(C)C

STK571123
Synonyms: N- [(2E)- 3- [2- (4- fluorophenyl)ethyl]- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclohexanecarboxamide
Smiles: Fc1ccc(cc1)CCN1/C(=N\C(=O)C2CCCCC2)/SC2C1CS(=O)(=O)C2

STK571124
Synonyms: 5- methoxy- 3- {[(4- methoxyphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylicacid
Smiles: COc1ccc(cc1)S(=O)(=O)Nc1c([nH]c2c1cc(OC)cc2)C(=O)O

STK847546
Synonyms: 4- (2,5- dioxopyrrolidin- 1- yl)- N- (4- methylpyridin- 2- yl)benzamide
Smiles: Cc1ccnc(c1)NC(=O)c1ccc(cc1)N1C(=O)CCC1=O

STK571127
Synonyms: 1- benzyl- N- cyclohexyl- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: O=C(c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)NC1CCCCC1

STK571128
Synonyms: N- {[6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]methyl}- 1- benzofuran- 2- carboxamide
Smiles: Clc1cn2c(CNC(=O)c3cc4c(o3)cccc4)nnc2c(c1)C(F)(F)F

STK571132
Synonyms: N- cyclopentyl- 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]hexanamide
Smiles: O=C(NC1CCCC1)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK847547
Synonyms: 5- methyl- 7- (morpholin- 4- yl)- 3- phenyl- 6- (prop- 2- en- 1- yl)pyrazolo[1,5- a]pyrimidine
Smiles: C=CCc1c(C)nc2n(c1N1CCOCC1)ncc2c1ccccc1

STK847548
Synonyms: 1- benzyl- N- (2- chlorobenzyl)- 7- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)NCc1ccccc1Cl)Cc1ccccc1

STK847550
Synonyms: ethyl4- (furan- 2- yl)- 2- methyl- 4,10- dihydropyrimido[1,2- a]benzimidazole- 3- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccco1)c1ccccc1[nH]2

STK571140
Synonyms: 6- methyl- 4- oxo- N- (pyridin- 4- ylmethyl)- 4H- chromene- 2- carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)NCc1ccncc1

STK571142
Synonyms: 3- amino- N- (4- methoxybenzyl)- 4- (trifluoromethyl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(c1c(n2)CCC1)C(F)(F)F

STK571143
Synonyms: N- [(2E)- 3- (4- acetylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 3- phenylpropanamide
Smiles: O=C(/N=C\1/SC2C(N1c1ccc(cc1)C(=O)C)CS(=O)(=O)C2)CCc1ccccc1

STK847551
Synonyms: (2Z)- 3- oxo- 2- (2,4,5- trimethoxybenzylidene)- 2,3- dihydro- 1- benzofuran- 6- ylbenzenesulfonate
Smiles: COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OS(=O)(=O)c1ccccc1)OC

STK571147
Synonyms: 1- {[4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- yl]amino}propan- 2- ol
Smiles: CC(CNc1ncnc2c1oc1c2c2CCCc2c(n1)CC(C)C)O

STK571148
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 5- (2- hydroxyphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: COc1cc(CCNC(=O)c2n[nH]c(c2)c2ccccc2O)ccc1OC

STK571149
Synonyms: N- {2- [(3- chlorophenyl)carbamoyl]- 1- benzofuran- 3- yl}- 5- (2- hydroxyphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1oc2c(c1NC(=O)c1n[nH]c(c1)c1ccccc1O)cccc2

STK847552
Synonyms: (6E)- 6- {[1- (1,3- benzodioxol- 5- ylmethyl)- 1H- indol- 3- yl]methylidene}- 7- imino- 2- methyl- 6,7- dihydro- 5H- [1,2]oxazolo[2,3- a]pyrimidin- 5- one
Smiles: Cc1on2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3ccc4c(c3)OCO4)/C2=N)c1

STK571151
Synonyms: 4,5,6- trimethoxy- N- methyl- N- (1- methylpiperidin- 4- yl)- 1H- indole- 2- carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N(C1CCN(CC1)C)C

STK571153
Synonyms: 4- hydroxy- 8- [2- (2- hydroxyethoxy)ethyl]- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: OCCOCCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK571156
Synonyms: N,N- dimethyl- 4- (9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)aniline
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccc(cc1)N(C)C

STK571157
Synonyms: 7- methoxy- 3- {(E)- [2- (5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)hydrazinylidene]methyl}quinolin- 2(1H)- one
Smiles: COc1ccc2c(c1)[nH]c(=O)c(c2)/C=N/Nc1ncnc2c1c1CCCCc1s2

STK571158
Synonyms: 1',3',9- trimethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[benzo[g]pyrido[1,2- a][1,8]naphthyridine- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: Cc1ccc2c(c1)cc1c(n2)N2CCCCC2C2(C1)C(=O)N(C)C(=O)N(C2=O)C

STK571161
Synonyms: 2,5- dimethyl- 6- (naphthalen- 1- ylmethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1nn2c(n1)nc(c(c2O)Cc1cccc2c1cccc2)C

STK847554
Synonyms: 5- methyl- 3- phenyl- 6- (prop- 2- en- 1- yl)- N- (pyridin- 3- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: C=CCc1c(C)nc2n(c1NCc1cccnc1)ncc2c1ccccc1

STK571164
Synonyms: (3E)- 3- [(4H- 1,2,4- triazol- 4- ylamino)methylidene]- 2H- chromene- 2,4(3H)- dione
Smiles: O=C1Oc2ccccc2C(=O)/C/1=C\Nn1cnnc1

STK847555
Synonyms: 8- (4- ethylphenyl)- 3- (2- methoxyethyl)- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccc(cc1)CC

STK847556
Synonyms: 3- (2- hydroxyphenyl)- 4- (4- methoxyphenyl)- 5- (tetrahydrofuran- 2- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1)C1N(CC2CCCO2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK847557
Synonyms: N- benzyl- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]acetamide
Smiles: CC(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)Cc1ccccc1

STK571178
Synonyms: 6- cyclopentyl- 1- (4- fluorophenyl)- 2- hydroxy- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Fc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)C1CCCC1

STK571179
Synonyms: 2- [(6- chloro- 2- hydroxy- 4- phenylquinolin- 3- yl)sulfanyl]- 1- (morpholin- 4- yl)ethanone
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)SCC(=O)N1CCOCC1

STK847558
Synonyms: N- (4- fluorophenyl)- 5- methyl- 2- (trifluoromethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- amine
Smiles: Fc1ccc(cc1)Nc1cc(C)nc2n1nc(n2)C(F)(F)F

STK847560
Synonyms: N- (4- chlorophenyl)- 1- (3- methoxypropyl)- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)Nc1ccc(cc1)Cl

STK571181
Synonyms: 1,3- dimethyl- 5- phenyl- 10- (thiophen- 2- yl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1c1C(OCCn1c2c1ccccc1)c1cccs1

STK571182
Synonyms: (5- bromo- 1H- indol- 2- yl)(1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)methanone
Smiles: Brc1ccc2c(c1)cc([nH]2)C(=O)N1CCC2(CC1)OCCO2

STK571183
Synonyms: 2- ethyl- 7- hydrazinyl- 5- methyl- 3- phenylpyrazolo[1,5- a]pyrimidine
Smiles: CCc1nn2c(c1c1ccccc1)nc(cc2NN)C

STK571184
Synonyms: N- [2- (4- chlorophenyl)- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 2- methylbenzamide
Smiles: Clc1ccc(cc1)c1nc2n(n1)c(cc(n2)O)NC(=O)c1ccccc1C

STK571185
Synonyms: 2- (2- hydroxyethyl)- 1- (3- hydroxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cccc1

STK847562
Synonyms: 7- (3- methylphenyl)- 2- (thiophen- 2- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1cccc(c1)n1ncc2c1ncn1c2nc(n1)c1cccs1

STK571190
Synonyms: (3S)- N- (2- hydroxy- 2- phenylethyl)- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)NCC(c1ccccc1)O

STK847563
Synonyms: 7- (2- methyl- 1H- imidazol- 1- yl)- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidine
Smiles: CCCc1nc2c(cnn2c(c1)n1ccnc1C)c1ccccc1

STK571192
Synonyms: 3- [(5Z)- 5- benzylidene- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- [2- (4- hydroxyphenyl)ethyl]propanamide
Smiles: O=C(CCN1C(=S)S/C(=C\c2ccccc2)/C1=O)NCCc1ccc(cc1)O

STK571195
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 3,6,7- trimethyl- 1- benzofuran- 2- carboxamide
Smiles: Brc1cccc(c1)CN(C(=O)c1oc2c(c1C)ccc(c2C)C)C1CCS(=O)(=O)C1

STK847564
Synonyms: 4- (4- chlorophenyl)- 3- (2- hydroxyphenyl)- 5- (tetrahydrofuran- 2- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Clc1ccc(cc1)C1N(CC2CCCO2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK847565
Synonyms: 3,6,6- trimethyl- N- [3- (morpholin- 4- yl)propyl]- 4- oxo- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxamide
Smiles: O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)NCCCN1CCOCC1

STK571202
Synonyms: 2- (3- hydroxy- 4- methoxyphenyl)- 4- imino- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: COc1ccc(cc1O)c1cc2c3cc(OC)c(cc3CCn2c(=N)c1C#N)OC

STK571203
Synonyms: (5E)- 5- [1- (2,3- dihydro- 1H- inden- 5- ylamino)ethylidene]- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C(\Nc2ccc3c(c2)CCC3)/C)/C(=O)N1c1ccccc1C

STK571204
Synonyms: (5E)- 3- (3- ethoxyphenyl)- 6- hydroxy- 5- {[1- (4- methoxyphenyl)- 1H- pyrrol- 2- yl]methylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: CCOc1cccc(c1)N1C(=O)N=C(/C(=C\c2cccn2c2ccc(cc2)OC)/C1=O)O

STK847567
Synonyms: 1- methyl- 3- nitro- 4- (pyrrolidin- 1- yl)quinolin- 2(1H)- one
Smiles: [O-][N+](=O)c1c(N2CCCC2)c2ccccc2n(c1=O)C

STK571209
Synonyms: 5- (2- hydroxy- 3,4- dimethylphenyl)- N- {4- [(3- methylpiperidin- 1- yl)sulfonyl]phenyl}- 1H- pyrazole- 3- carboxamide
Smiles: CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccc(c(c1O)C)C

STK571211
Synonyms: 3- {[(3,4- dimethylphenyl)sulfonyl]amino}- 5- methoxy- 1H- indole- 2- carboxylicacid
Smiles: COc1ccc2c(c1)c(NS(=O)(=O)c1ccc(c(c1)C)C)c([nH]2)C(=O)O

STK571212
Synonyms: 1- phenyl- 2- (pyridin- 4- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: O=C1N(Cc2ccncc2)C(c2c1oc1ccccc1c2=O)c1ccccc1

STK847568
Synonyms: 4- (3- hydroxyquinoxalin- 2- yl)- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: Oc1nc2ccccc2nc1c1c[nH]n(c1=O)c1ccccc1

STK571219
Synonyms: 5- ({2- [(5Z)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}amino)- 2- hydroxybenzoicacid
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)Nc1ccc(c(c1)C(=O)O)O)C

STK571221
Synonyms: N- [4- (4- methylphenyl)- 1,2,5- oxadiazol- 3- yl]benzamide
Smiles: Cc1ccc(cc1)c1nonc1NC(=O)c1ccccc1

STK571222
Synonyms: 2- [(4- fluorobenzyl)amino]- 5,6- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Fc1ccc(cc1)CNc1nc2n(n1)c(O)c(c(n2)C)C

STK847572
Synonyms: 2- [2- amino- 5- (2- methoxyphenoxy)- 6- methylpyrimidin- 4- yl]- 5- [(2,5- dimethylbenzyl)oxy]phenol
Smiles: COc1ccccc1Oc1c(C)nc(nc1c1ccc(cc1O)OCc1cc(C)ccc1C)N

STK571227
Synonyms: 2,6- dihydroxy- 5- [(2E)- 3- (4- methoxyphenyl)prop- 2- enoyl]- 3- phenylpyrimidin- 4(3H)- one
Smiles: COc1ccc(cc1)/C=C/C(=O)c1c(O)nc(n(c1=O)c1ccccc1)O

STK847576
Synonyms: 1- acetyl- 6'- amino- 3'- ethyl- 1'H- spiro[piperidine- 4,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31CCN(CC3)C(=O)C)c(CC)n[nH]2

STK571233
Synonyms: 9- (4- fluorophenyl)- 6- methyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CC1CC(=C2C(=Nc3n(C2c2ccc(cc2)F)ncn3)C1)O

STK571235
Synonyms: 7,8- dimethoxy[1,2,4]triazino[4,5- a]indol- 1- ol
Smiles: COc1cc2c(cc1OC)cc1n2cnnc1O

STK847578
Synonyms: quinolin- 8- yl4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxylate
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Oc1cccc2c1nccc2

STK571242
Synonyms: (5- methoxy- 3- methyl- 1H- indol- 2- yl)(4- methylpiperazin- 1- yl)methanone
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)N1CCN(CC1)C

STK847579
Synonyms: 8- (2,3- dimethoxyphenyl)- 3- (4- methylphenyl)- 6- oxo- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1OC)OC)c1ccc(cc1)C

STK571247
Synonyms: N- (pyridin- 4- ylmethyl)- 2- [(3,4,7- trimethyl- 2- oxo- 2H- chromen- 5- yl)oxy]acetamide
Smiles: O=C(COc1cc(C)cc2c1c(C)c(c(=O)o2)C)NCc1ccncc1

STK571249
Synonyms: 4- [(4- ethylpiperazin- 1- yl)methyl]- 6- (propan- 2- yl)- 2H- chromen- 2- one
Smiles: CCN1CCN(CC1)Cc1cc(=O)oc2c1cc(cc2)C(C)C

STK571260
Synonyms: (5E)- 5- ({[3- (dimethylamino)propyl]amino}methylidene)- 1- (3- methylphenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CN(CCCN/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)C)S)C

STK571261
Synonyms: N- (4- fluorobenzyl)- 5- hydroxy- 7,7- dimethyl- 2- oxo- 2,3,4,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: O=C1N=C2CC(C)(C)CC(=C2C(C1)C(=O)NCc1ccc(cc1)F)O

STK847583
Synonyms: 2- methyl- 3- phenyl- 7- (piperidin- 1- yl)- 5- propylpyrazolo[1,5- a]pyrimidine
Smiles: CCCc1cc(N2CCCCC2)n2c(n1)c(c1ccccc1)c(n2)C

STK571262
Synonyms: 3- (4- ethoxyphenyl)- 2,6- dihydroxy- 5- [(2E)- 3- (4- methoxyphenyl)prop- 2- enoyl]pyrimidin- 4(3H)- one
Smiles: CCOc1ccc(cc1)n1c(O)nc(c(c1=O)C(=O)/C=C/c1ccc(cc1)OC)O

STK847584
Synonyms: N- benzyl- 4- methyl- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)Cc1ccccc1

STK571264
Synonyms: 2- chloro- N- [5- hydroxy- 2- (3- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]benzamide
Smiles: Cc1cccc(c1)c1nc2n(n1)c(cc(n2)O)NC(=O)c1ccccc1Cl

STK847585
Synonyms: 4- (4- oxo- 3,4- dihydro- 2H- 1,3- benzoxazin- 2- yl)benzonitrile
Smiles: N#Cc1ccc(cc1)C1NC(=O)c2c(O1)cccc2

STK571269
Synonyms: 6- chloro- 4- {[4- (diphenylmethyl)piperazin- 1- yl]methyl}- 5,7- dimethyl- 2H- chromen- 2- one
Smiles: O=c1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(o1)cc(c(c2C)Cl)C

STK571271
Synonyms: 4- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 6- (4- methyl- 1H- pyrazol- 1- yl)- 2- phenylpyrimidine
Smiles: Cc1cnn(c1)c1nc(nc(c1)n1nc(cc1C)C)c1ccccc1

STK571272
Synonyms: 2- {[4- amino- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK571273
Synonyms: N- (1- hydroxybutan- 2- yl)- 5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: CCC(NC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)CO

STK571275
Synonyms: N- (6- fluoro- 1,3- benzothiazol- 2- yl)- 5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1nc2c(s1)cc(cc2)F

STK571282
Synonyms: ethyl4- ({(6E)- 4- amino- 6- [(2,4- dimethylphenyl)imino]- 1,6- dihydro- 1,3,5- triazin- 2- yl}methyl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1nc(N)n/c(=N/c2ccc(cc2C)C)/[nH]1

STK571283
Synonyms: 3- (4- chlorophenyl)- 7- (4- ethylpiperazin- 1- yl)- 5- methylpyrazolo[1,5- a]pyrimidine
Smiles: CCN1CCN(CC1)c1cc(C)nc2n1ncc2c1ccc(cc1)Cl

STK847588
Synonyms: 2- amino- 4- hydroxy- 5- (4- methoxyphenyl)- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: COc1ccc(cc1)C1CC(=O)Nc2c1c(O)nc(n2)N

STK847589
Synonyms: N- (4- methylphenyl)tetrahydrothiophene- 3- sulfonamide1,1- dioxide
Smiles: Cc1ccc(cc1)NS(=O)(=O)C1CCS(=O)(=O)C1

STK571287
Synonyms: N- [(2,3- dichlorophenyl)carbamoyl]- L- phenylalanine
Smiles: O=C(Nc1cccc(c1Cl)Cl)N[C@H](C(=O)O)Cc1ccccc1

STK571288
Synonyms: 2- (pyridin- 2- yl)- 14- (pyridin- 3- yl)- 14H- benzo[7,8]chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: c1ccc(cn1)C1c2c(ncn3c2nc(n3)c2ccccn2)Oc2c1ccc1c2cccc1

STK847591
Synonyms: N- cyclopentyl- 8,10- dimethyl- 2- propylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidin- 4- amine
Smiles: CCCc1cc(NC2CCCC2)n2c(n1)c1c(C)cc(nc1n2)C

STK571296
Synonyms: 2- (7- methoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OC

STK571297
Synonyms: 2- (4- chlorophenyl)- 7- (3,4- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccc(cc1)c1nc2n(n1)cnc1c2cnn1c1ccc(c(c1)C)C

STK571303
Synonyms: (5- bromo- 1H- indol- 2- yl)[4- (2- fluorophenyl)piperazin- 1- yl]methanone
Smiles: Brc1ccc2c(c1)cc([nH]2)C(=O)N1CCN(CC1)c1ccccc1F

STK571311
Synonyms: 2- [(2E)- 2- (4- methoxy- 3- nitrobenzylidene)hydrazinyl]- 6- methylpyrimidin- 4- ol
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=N/Nc1nc(C)cc(n1)O

STK571313
Synonyms: N- methyl- 1- (1- propyl- 1,2,3,4- tetrahydroquinolin- 6- yl)methanamine
Smiles: CCCN1CCCc2c1ccc(c2)CNC

STK571318
Synonyms: N- (2- methoxyethyl)- 2- (naphtho[2,1- b]furan- 1- yl)acetamide
Smiles: COCCNC(=O)Cc1coc2c1c1ccccc1cc2

STK847595
Synonyms: (5Z)- 5- (4- fluorobenzylidene)- 2- imino- 3- (1,3- thiazol- 2- yl)- 1,3- thiazolidin- 4- one
Smiles: Fc1ccc(cc1)/C=C/1\SC(=N)N(C1=O)c1nccs1

STK847598
Synonyms: {4- [5- methyl- 3- phenyl- 2- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 7- yl]piperazin- 1- yl}acetonitrile
Smiles: N#CCN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccccc1)C(F)(F)F

STK571323
Synonyms: 7- fluoro- 1- (3- methoxyphenyl)- 2- (6- methylpyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cccc(c1)C1N(c2cccc(n2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK571324
Synonyms: (5Z)- 5- [1- (cyclopropylamino)propylidene]- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/NC1CC1

STK571328
Synonyms: ethyl4- ({8- [(4- ethylpiperazin- 1- yl)methyl]- 7- hydroxy- 2- methyl- 4- oxo- 4H- chromen- 3- yl}oxy)benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2CN1CCN(CC1)CC)O

STK571331
Synonyms: 5- (2- hydroxy- 4- methylphenyl)- N- [3- (trifluoromethyl)phenyl]- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1cccc(c1)C(F)(F)F

STK571334
Synonyms: N- ({3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]phenyl}carbonyl)- D- valine
Smiles: O=C(c1cccc(c1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)N[C@@H](C(=O)O)C(C)C

STK571335
Synonyms: 5- [(3,4- dichlorobenzyl)oxy]- 2- [4- (2- methoxyphenoxy)- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccccc1Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl

STK571336
Synonyms: 1- (4- methoxyphenyl)- N- (2- methylphenyl)- 4- oxo- 2- [4- (propan- 2- yl)phenyl]azetidine- 2- carboxamide
Smiles: COc1ccc(cc1)N1C(=O)CC1(c1ccc(cc1)C(C)C)C(=O)Nc1ccccc1C

STK571337
Synonyms: 5- (2- hydroxy- 3,4- dimethylphenyl)- N- [2- (trifluoromethyl)phenyl]- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1ccccc1C(F)(F)F

STK847601
Synonyms: 4- (4- hydroxy- 3- methoxyphenyl)- 3- (2- hydroxyphenyl)- 5- [3- (propan- 2- yloxy)propyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1cc(ccc1O)C1N(CCCOC(C)C)C(=O)c2c1c([nH]n2)c1ccccc1O

STK847602
Synonyms: 3- (2- hydroxyphenyl)- 4- (4- methylphenyl)- 5- (pyridin- 4- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Cc1ccc(cc1)C1N(Cc2ccncc2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK571339
Synonyms: (4E)- 4- {[(2- hydroxyethyl)amino]methylidene}- 2- (4- methoxyphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: OCCN/C=C\1/C(=O)N(c2ccc(cc2)OC)C(=O)c2c1cccc2

STK847603
Synonyms: 1- (3- methoxypropyl)- 9- methyl- N- (naphthalen- 1- yl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)Nc1cccc2c1cccc2

STK571348
Synonyms: 2- {3- [(Z)- (1- ethyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]- 1H- indol- 1- yl}- N- (2- methoxyethyl)acetamide
Smiles: COCCNC(=O)Cn1cc(c2c1cccc2)/C=C\1/C(=NC(=O)N(C1=O)CC)O

STK571350
Synonyms: 1- (4- hydroxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Oc1ccc(cc1)C1NC(=O)c2c1c(=O)c1c(o2)cccc1

STK571351
Synonyms: N'- [(E)- (2,5- dimethoxyphenyl)methylidene]- 4,7- dimethoxy- 1H- indole- 2- carbohydrazide
Smiles: COc1ccc(c(c1)/C=N/NC(=O)c1[nH]c2c(c1)c(OC)ccc2OC)OC

STK571352
Synonyms: (5Z)- 5- benzylidene- 3- {3- oxo- 3- [2- (pyridin- 3- yl)piperidin- 1- yl]propyl}- 1,3- thiazolidine- 2,4- dione
Smiles: O=C(N1CCCCC1c1cccnc1)CCN1C(=O)S/C(=C\c2ccccc2)/C1=O

STK571355
Synonyms: 2- (2,3- dichlorophenyl)- 4- (phenylcarbonyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: O=C(C1N2CCCC2C2C1C(=O)N(C2=O)c1cccc(c1Cl)Cl)c1ccccc1

STK571356
Synonyms: 2,6- dihydroxy- 5- [(2E)- 3- (4- hydroxy- 3- methoxyphenyl)prop- 2- enoyl]- 3- (2- phenylethyl)pyrimidin- 4(3H)- one
Smiles: COc1cc(/C=C/C(=O)c2c(O)nc(n(c2=O)CCc2ccccc2)O)ccc1O

STK571358
Synonyms: 2- {[3- cyano- 5- hydroxy- 4- (4- hydroxy- 3- methoxyphenyl)- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- cyclohexylacetamide
Smiles: N#CC1=C(SCC(=O)NC2CCCCC2)N=C2C(=C(O)CCC2)C1c1ccc(c(c1)OC)O

STK847607
Synonyms: 1- (3- methoxypropyl)- 9- methyl- 2- [(2- methylpiperidin- 1- yl)carbonyl]pyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CCCCC1C

STK571362
Synonyms: 2- ({[(5E)- 5- (4- chlorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetyl}amino)- 5- hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CN1C(=S)S/C(=C/c2ccc(cc2)Cl)/C1=O

STK847609
Synonyms: 2,4- dichloro- N- [1- cyclohexyl- 2- hydroxy- 5- oxo- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NC1(N=C(N(C1=O)C1CCCCC1)O)C(F)(F)F

STK571369
Synonyms: N- (6- methyl- 5- oxo- 2,4- diphenyl- 2,5- dihydropyridazin- 3- yl)furan- 2- carboxamide
Smiles: O=C(c1ccco1)Nc1n(nc(c(=O)c1c1ccccc1)C)c1ccccc1

STK847612
Synonyms: 1- (3- methylphenyl)- N- [4- (morpholin- 4- ylsulfonyl)phenyl]- 4- oxo- 1,4- dihydropyridazine- 3- carboxamide
Smiles: Cc1cccc(c1)n1ccc(=O)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK571372
Synonyms: 4- (4- chlorophenoxy)- N- cyclododecylbutanamide
Smiles: O=C(NC1CCCCCCCCCCC1)CCCOc1ccc(cc1)Cl

STK571374
Synonyms: 2- (3- chlorophenyl)- 4- [(4- fluorophenyl)carbonyl]hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: Fc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1cccc(c1)Cl

STK571376
Synonyms: 2- (9- methoxy- 6H- indolo[2,3- b]quinoxalin- 6- yl)ethyl2- chlorobenzoate
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOC(=O)c1ccccc1Cl

STK571378
Synonyms: 2- (3,4- dichlorophenyl)- 4- (phenylcarbonyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C2C1C(N1C2CCC1)C(=O)c1ccccc1

STK847614
Synonyms: N- (2- methoxyethyl)- 2- methyl- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCc1cc(NCCOC)n2c(n1)c(c1ccccc1)c(n2)C

STK571381
Synonyms: N- {(E)- [4- hydroxy- 2,6- dioxo- 1- (propan- 2- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}tryptophan
Smiles: OC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)C(C)C)O

STK571383
Synonyms: 5- tert- butyl- 3- (4- chlorophenyl)pyrazolo[1,5- a]pyrimidine- 7- thiol
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2S)C(C)(C)C

STK847616
Synonyms: N- (2- chlorobenzyl)- 1- (3- methoxypropyl)- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCc1ccccc1Cl

STK571390
Synonyms: 4- [(5E)- 5- (3,4- dihydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C/c2ccc(c(c2)O)O)/C1=O

STK847618
Synonyms: N- {2- [(3- chlorophenyl)carbamoyl]- 1- benzofuran- 3- yl}- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1oc2c(c1NC(=O)c1cc(=O)c3c(o1)cccc3)cccc2

STK571394
Synonyms: N- [5- hydroxy- 2- (phenoxymethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]propanamide
Smiles: CCC(=O)Nc1cc(O)nc2n1nc(n2)COc1ccccc1

STK571397
Synonyms: 2- {5- [(2- fluorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}ethanamine
Smiles: NCCc1nnc(o1)SCc1ccccc1F

STK571398
Synonyms: 6- oxo- 1- (pyridin- 2- yl)- 1,4,5,6- tetrahydropyridazine- 3- carboxylicacid
Smiles: O=C1CCC(=NN1c1ccccn1)C(=O)O

STK571400
Synonyms: 2- (2- amino- 5- phenylpyrimidin- 4- yl)- 5- [(4- bromobenzyl)oxy]phenol
Smiles: Brc1ccc(cc1)COc1ccc(c(c1)O)c1nc(N)ncc1c1ccccc1

STK571401
Synonyms: N- (5- chloro- 2- methoxyphenyl)- 5- (2- hydroxy- 3,4- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: COc1ccc(cc1NC(=O)c1n[nH]c(c1)c1ccc(c(c1O)C)C)Cl

STK571402
Synonyms: N'- {(E)- [4,6- dioxo- 2- sulfanyl- 1- (3,4,5- trimethoxyphenyl)- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}- 2- hydroxybenzohydrazide
Smiles: COc1c(OC)cc(cc1OC)N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2O)/C1=O)S

STK571408
Synonyms: N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (4- methoxyphenyl)- 2,1,3- benzoxadiazole- 4- sulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1cccc2c1non2)Cc1cc2cc(OC)ccc2[nH]c1=O

STK571409
Synonyms: N- [5- hydroxy- 2- (4- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]thiophene- 2- carboxamide
Smiles: Cc1ccc(cc1)c1nn2c(n1)nc(cc2NC(=O)c1cccs1)O

STK571410
Synonyms: 3- amino- 2- [(4- fluorophenyl)amino]thieno[3,2- b]pyridine- 5,7- diol
Smiles: Fc1ccc(cc1)Nc1sc2c(c1N)nc(cc2O)O

STK847623
Synonyms: 2- {[(2Z)- 2- (4- methoxybenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl]oxy}acetohydrazide
Smiles: NNC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)OC)/C2=O

STK571416
Synonyms: 5- [4- (2,5- dimethylphenyl)- 5- phenyl- 1H- imidazol- 2- yl]- 2- methoxyphenol
Smiles: COc1ccc(cc1O)c1nc(c([nH]1)c1ccccc1)c1cc(C)ccc1C

STK571418
Synonyms:
Smiles: CCC([C@@H](C(=O)Nc1ccc(cc1)OC)NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK571420
Synonyms: 2- (furan- 2- yl)- 5- phenyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Oc1cc(nc2n1nc(n2)c1ccco1)c1ccccc1

STK571423
Synonyms: 2- (2- hydroxyethyl)- 1- (3- hydroxyphenyl)- 7- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)ccc(c1)C

STK571426
Synonyms: 5- bromo- N- [(1- ethylpyrrolidin- 2- yl)methyl]- 3- methyl- 1H- indole- 2- carboxamide
Smiles: CCN1CCCC1CNC(=O)c1[nH]c2c(c1C)cc(cc2)Br

STK571427
Synonyms: 2- [(5,6- dichloropyridin- 3- yl)sulfonyl]- 6,7- dimethoxy- 1- methyl- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CCN(C(c2cc1OC)C)S(=O)(=O)c1cnc(c(c1)Cl)Cl

STK571428
Synonyms: 2- amino- 5- (2,4- dichlorophenyl)- 4- hydroxy- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: O=C1Nc2nc(N)nc(c2C(C1)c1ccc(cc1Cl)Cl)O

STK847624
Synonyms: N- (4- {[3- (2- methoxyphenyl)- 5- methylpyrazolo[1,5- a]pyrimidin- 7- yl]amino}phenyl)acetamide
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2Nc1ccc(cc1)NC(=O)C

STK571436
Synonyms: N- [4- (3,4- dimethoxyphenyl)- 1,2,5- oxadiazol- 3- yl]- 2- fluorobenzamide
Smiles: COc1ccc(cc1OC)c1nonc1NC(=O)c1ccccc1F

STK571438
Synonyms: 6- hydroxy- 1,3- dimethyl- 5- {(2E)- 3- [2- (trifluoromethyl)phenyl]prop- 2- enoyl}pyrimidine- 2,4(1H,3H)- dione
Smiles: O=C(c1c(O)n(C)c(=O)n(c1=O)C)/C=C/c1ccccc1C(F)(F)F

STK847626
Synonyms: propyl4- {[7- (cyanomethoxy)- 4- oxo- 4H- chromen- 3- yl]oxy}benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCC#N

STK571443
Synonyms: 2- [4- (2- ethoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]- 5- [(4- methylbenzyl)oxy]phenol
Smiles: CCOc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)C

STK571448
Synonyms: 2- (7,8- dihydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2O)O)NCc1cccnc1

STK847628
Synonyms: ethyl7- methyl- 2- [(phenylcarbonyl)oxy]pyrazolo[1,5- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)c1cnc2n(c1C)nc(c2)OC(=O)c1ccccc1

STK571451
Synonyms: 6- benzyl- N- (4- methoxyphenyl)- 2,5- dimethyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1ccc(cc1)Nc1c(Cc2ccccc2)c(C)nc2n1nc(c2c1ccccc1)C

STK847630
Synonyms: 7- chloro- 1- (3- methoxyphenyl)- 2- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cccc(c1)C1N(C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK571453
Synonyms: 2- [4- (3,5- dimethylphenoxy)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Oc2cc(C)cc(c2)C)c2c(n1)cccc2

STK571456
Synonyms: 7- [4- (4- chlorobenzyl)piperazin- 1- yl]- 2- methyl- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)CN1CCN(CC1)c1cc(nc2n1nc(c2c1ccccc1)C)C(C)C

STK847632
Synonyms: N- (3- chloro- 4- fluorophenyl)- 5- hydroxy- 2- methyl- 6,7- dihydropyrazolo[1,5- a]pyrimidine- 7- carboxamide
Smiles: O=C(C1CC(=Nc2n1nc(c2)C)O)Nc1ccc(c(c1)Cl)F

STK571459
Synonyms: N- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]histidine
Smiles: OC(=O)C(Cc1c[nH]cn1)NC=C1C(=O)N(C)C(=O)N(C1=O)C

STK571462
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (3,4- dimethoxyphenyl)- 5- (2- hydroxyethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OC)c([nH]n2)c1cc(Cl)c(cc1O)C

STK571463
Synonyms: N,N- diethyl- 2- {[2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)OC)CC

STK571464
Synonyms: (2S)- 2- {[({4- [({[(1S)- 1- carboxy- 2- methylpropyl]carbamoyl}amino)methyl]phenyl}sulfonyl)carbamoyl]amino}- 3- methylbutanoicacid(non- preferredname)
Smiles: O=C(N[C@H](C(=O)O)C(C)C)NCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@H](C(=O)O)C(C)C

STK571465
Synonyms: N- [(2E)- 5- [(4- fluorobenzyl)sulfonyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- methylbutanamide
Smiles: CC(CC(=O)/N=c/1\[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)F)C

STK847633
Synonyms: 1- (3- methoxypropyl)- 4- oxo- N- [4- (propan- 2- yl)phenyl]- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1ccc(cc1)C(C)C

STK571468
Synonyms: 4- {2- [(E)- (2- hydroxy- 5- oxo- 1,5- dihydro- 4H- imidazol- 4- ylidene)methyl]- 1H- pyrrol- 1- yl}benzoicacid
Smiles: OC1=N/C(=C/c2cccn2c2ccc(cc2)C(=O)O)/C(=O)N1

STK571469
Synonyms: N- (3- chlorobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- propoxybenzamide
Smiles: CCCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Cl

STK571472
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- phenoxyacetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccccc1

STK571479
Synonyms: (E)- 1- (2- chlorophenyl)- N- [(9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)methoxy]methanimine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)CO/N=C/c1ccccc1Cl

STK571480
Synonyms: 2- (2- fluorophenyl)- 4- hydroxy- 1- phenyl- 6- sulfanyl- 1,2- dihydropyrimidine- 5- carbonitrile
Smiles: N#CC1=C(S)N(C(N=C1O)c1ccccc1F)c1ccccc1

STK571482
Synonyms: 4- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- (2- hydroxyethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1cc(Br)c(c(c1)OC)O)c([nH]n2)c1cc(Cl)c(cc1O)C

STK571483
Synonyms: benzyl2- amino- 4- (4- fluorophenyl)- 6- (hydroxymethyl)- 8- oxo- 4,8- dihydropyrano[3,2- b]pyran- 3- carboxylate
Smiles: OCc1cc(=O)c2c(o1)C(c1ccc(cc1)F)C(=C(O2)N)C(=O)OCc1ccccc1

STK571485
Synonyms: 2- ({[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: Clc1cccc(c1)c1nnc(n1c1ccccc1)SCc1nc2c([nH]1)cccc2

STK571487
Synonyms: N- [(2Z,5Z)- 4- hydroxy- 5- (piperidin- 1- ylmethylidene)- 1,3- thiazol- 2(5H)- ylidene]acetamide
Smiles: CC(=O)/N=C/1\S/C(=C\N2CCCCC2)/C(=N1)O

STK571488
Synonyms: N- {[3- (acetylamino)phenyl]carbamoyl}- L- valine
Smiles: O=C(N[C@H](C(=O)O)C(C)C)Nc1cccc(c1)NC(=O)C

STK571492
Synonyms: (5Z)- 1- (4- chlorophenyl)- 5- [1- propanoyl- 5- (thiophen- 2- yl)pyrazolidin- 3- ylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(=O)N1N/C(=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)/CC1c1cccs1

STK571493
Synonyms: 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- ol
Smiles: CC(c1nc2oc3c(c2c2c1CCC2)ncnc3O)C

STK571499
Synonyms: 2- methyl- 7- (4- methylpiperazin- 1- yl)- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidine
Smiles: CN1CCN(CC1)c1cc(nc2n1nc(c2c1ccccc1)C)C(C)C

STK571501
Synonyms: 7- chloro- 3- ethyl- 2',6'- dihydroxy- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 4'- one
Smiles: CCN1CCN2C(C1)C1(Cc3c2cccc3Cl)C(=NC(=NC1=O)O)O

STK571502
Synonyms: methyl2- ({[(2R)- 1- methoxy- 1- oxopropan- 2- yl]carbamoyl}amino)benzoate
Smiles: COC(=O)[C@H](NC(=O)Nc1ccccc1C(=O)OC)C

STK571504
Synonyms: N- (2- benzyl- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)butanamide
Smiles: CCCC(=O)Nc1cc(O)nc2n1nc(n2)Cc1ccccc1

STK571507
Synonyms: (2Z)- 6- (benzyloxy)- 2- (3- bromobenzylidene)- 1- benzofuran- 3(2H)- one
Smiles: Brc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccccc1

STK571509
Synonyms: (1S)- 1- {5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}ethanamine
Smiles: Clc1ccc(cc1)CSc1nnc(o1)[C@@H](N)C

STK571517
Synonyms: (5E)- 1- benzyl- 5- [1- (2,3- dihydro- 1H- inden- 5- ylamino)propylidene]- 2- hydroxypyrimidine- 4,6(1H,5H)- dione
Smiles: CC/C(=C\1/C(=O)N=C(N(C1=O)Cc1ccccc1)O)/Nc1ccc2c(c1)CCC2

STK571518
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK847641
Synonyms: N- {[(2E)- 4- (4- methoxyphenyl)- 1,3- thiazol- 2(3H)- ylidene]carbamothioyl}thiophene- 2- carboxamide
Smiles: COc1ccc(cc1)c1cs/c(=N/C(=S)NC(=O)c2cccs2)/[nH]1

STK571519
Synonyms: 2- ({[(6- oxo- 6H- benzo[c]chromen- 3- yl)oxy]acetyl}amino)benzamide
Smiles: O=C(Nc1ccccc1C(=O)N)COc1ccc2c(c1)oc(=O)c1c2cccc1

STK571522
Synonyms: N- [(4- benzylpiperidin- 1- yl)carbonyl]- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)N1CCC(CC1)Cc1ccccc1

STK571523
Synonyms: (6E)- 6- [(2,4- dichlorophenyl)imino]- 4- (3- methyl- 1- benzofuran- 2- yl)- 1,6- dihydro- 1,3,5- triazin- 2- amine
Smiles: Clc1ccc(c(c1)Cl)/N=c/1\[nH]c(N)nc(n1)c1oc2c(c1C)cccc2

STK571526
Synonyms: 7- ethyl- N~5~- phenyl- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c][2,7]naphthyridine- 1,5- diamine
Smiles: CCN1CCc2c(C1)c(Nc1ccccc1)nc1c2c(N)n[nH]1

STK571527
Synonyms: 12- (3,4- dimethoxyphenyl)- 2- (pyridin- 2- yl)- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: COc1ccc(cc1OC)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)c1ccccn1

STK571531
Synonyms: 2- [3- (morpholin- 4- yl)propyl]- 2,3- dihydro- 1H- isoindol- 1- imine
Smiles: N=C1N(CCCN2CCOCC2)Cc2c1cccc2

STK571533
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 2- yl)- N- (2- phenylethyl)propanamide
Smiles: O=C(CCC1COc2c(O1)cccc2)NCCc1ccccc1

STK571534
Synonyms: (2Z)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- 1- [2- (4- methylphenyl)- 1,3- thiazol- 4- yl]ethanone
Smiles: COc1cc2/C(=C/C(=O)c3csc(n3)c3ccc(cc3)C)/NCCc2cc1OC

STK571535
Synonyms: 5- {(2E)- 3- [4- (dimethylamino)phenyl]prop- 2- enoyl}- 6- hydroxy- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: CN(c1ccc(cc1)/C=C/C(=O)c1c(O)n(C)c(=O)n(c1=O)C)C

STK571537
Synonyms: N- (2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)- L- threonine
Smiles: CC([C@@H](C(=O)O)Nc1nc(nc2c1oc1c2cccc1)c1ccccc1)O

STK847646
Synonyms: 3- (2- chlorophenyl)- 2,5- dimethyl- N- [2- (morpholin- 4- yl)ethyl]pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1cc(NCCN2CCOCC2)n2c(n1)c(c(n2)C)c1ccccc1Cl

STK571546
Synonyms: 2- (2,6,8- trioxo- 10- phenyl- 3,4a,5,5a,6,8,8a,9,9a,10- decahydro- 5,9- methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3- f]isoindol- 7(2H)- yl)propanoicacid
Smiles: OC(=O)C(N1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccccc2)sc(=O)[nH]1)C

STK847647
Synonyms: 2- {[(2Z)- 2- (2- fluorobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl]oxy}acetohydrazide
Smiles: NNC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)/C2=O

STK571557
Synonyms: 7- hydroxy- 2,9,9- trimethyl- 6- phenyl- 6,8,9,10- tetrahydro[1,2,4]triazolo[5',1':2,3]pyrimido[4,5- b]quinolin- 5(4H)- one
Smiles: Cc1nn2c(n1)[nH]c(=O)c1c2N=C2CC(C)(C)CC(=C2C1c1ccccc1)O

STK571560
Synonyms: 7- chloro- 1- (2- fluorophenyl)- 6- methyl- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: O=C1N(Cc2cccnc2)C(c2c1oc1cc(C)c(cc1c2=O)Cl)c1ccccc1F

STK847651
Synonyms: 2- methyl- 3- phenyl- N- (propan- 2- yl)- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- amine
Smiles: CC(Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C)C

STK571561
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- (3- hydroxypropyl)- 4- [3- (3- methylbutoxy)phenyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)OCCC(C)C)c([nH]n2)c1cc(Cl)c(cc1O)C

STK571565
Synonyms: propyl4- ({7- [(2- fluorobenzyl)oxy]- 4- oxo- 4H- chromen- 3- yl}oxy)benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccccc1F

STK571567
Synonyms: 3- chloro- N'- {4- [(5Z)- 5- (2- chlorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoyl}benzohydrazide
Smiles: O=C(NNC(=O)c1cccc(c1)Cl)CCCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O

STK571569
Synonyms: 4- hydroxy- 8- (2- methoxyphenyl)- 1- methyl- 7- phenyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: COc1ccccc1n1c(cn2c1nc1c2c(O)nc(=O)n1C)c1ccccc1

STK571570
Synonyms: 5- (4- chlorophenyl)- 6- hydroxy- 1,3- dimethyl- 5,7,8,9- tetrahydropyrimido[4,5- b]quinoline- 2,4(1H,3H)- dione
Smiles: Clc1ccc(cc1)C1C2=C(O)CCCC2=Nc2c1c(=O)n(C)c(=O)n2C

STK847653
Synonyms: N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (tetrahydrofuran- 2- ylmethyl)furan- 2- carboxamide
Smiles: O=C(c1ccco1)N(Cc1cc2ccccc2[nH]c1=O)CC1CCCO1

STK571577
Synonyms: 1- (4- butoxyphenyl)- 2- (4- methylpyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCCCOc1ccc(cc1)C1N(c2nccc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK571580
Synonyms: 8- {[benzyl(methyl)ammonio]methyl}- 3- (4- methoxyphenyl)- 2- methyl- 4- oxo- 4H- chromen- 7- olate
Smiles: COc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2C[NH+](Cc1ccccc1)C)[O-]

STK571581
Synonyms: N- methyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- 2,1,3- benzoxadiazole- 4- sulfonamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1cccc2c1non2)C

STK571582
Synonyms: 2- {[3- (dimethylamino)propyl]amino}- 3- (2- phenylethyl)- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CN(CCCNc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCCC3)C

STK571585
Synonyms: 8- [(dimethylammonio)methyl]- 3- (3- methoxyphenoxy)- 4- oxo- 4H- chromen- 7- olate
Smiles: COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2C[NH+](C)C)[O-]

STK571586
Synonyms: 3- [7- (furan- 2- yl)- 8- imino- 7H- benzo[7,8]chromeno[2,3- d]pyrimidin- 9(8H)- yl]propan- 1- ol
Smiles: OCCCn1cnc2c(c1=N)C(c1ccco1)c1c(O2)c2ccccc2cc1

STK571588
Synonyms: 1- [(dibenzylammonio)methyl]naphthalen- 2- olate
Smiles: [O-]c1ccc2c(c1C[NH+](Cc1ccccc1)Cc1ccccc1)cccc2

STK571592
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 5- (2- hydroxy- 3,4- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: COc1cc(CCNC(=O)c2n[nH]c(c2)c2ccc(c(c2O)C)C)ccc1OC

STK571593
Synonyms: 2- {(1E)- 5- fluoro- 2- methyl- 1- [4- (methylsulfinyl)benzylidene]- 1H- inden- 3- yl}- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(CC1=C(C)/C(=C\c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2)NCc1cccnc1

STK847656
Synonyms: 1,3- dimethyl- 8- (3- methylpiperidin- 1- yl)- 7- {2- [(4- methylpyrimidin- 2- yl)sulfanyl]ethyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC(C1)C

STK847657
Synonyms: 2- methyl- 3- phenyl- 5- propyl- N- (tetrahydrofuran- 2- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCc1cc(NCC2CCCO2)n2c(n1)c(c1ccccc1)c(n2)C

STK571597
Synonyms: N- [2- (4- chlorophenyl)- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 3- methoxybenzamide
Smiles: COc1cccc(c1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)Cl

STK571601
Synonyms: 5- (1,3- benzodioxol- 5- yl)- 7- hydroxy- 1- methyl- 2- (methylsulfanyl)- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(1H)- one
Smiles: CSc1nc(=O)c2c(n1C)N=C(CC2c1ccc2c(c1)OCO2)O

STK571604
Synonyms: 3- (2- chlorophenyl)- 2,5- dimethyl- 7- (4- methylpiperazin- 1- yl)pyrazolo[1,5- a]pyrimidine
Smiles: CN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccccc1Cl)C

STK571607
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)C

STK571608
Synonyms: 3- (2- methoxyethyl)- 2- propyl- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: CCCc1nc2oc3ccccc3c(=O)c2c(=O)n1CCOC

STK571615
Synonyms: 5,11- dimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC1CCCc2c1c1c(s2)nc(n2c1ncn2)C

STK571617
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- ethoxy- N- (4- methoxybenzyl)benzamide
Smiles: CCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)OC

STK571623
Synonyms: 6- chloro- N- (2- chlorobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 7- methyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)Cc1ccccc1Cl)c1cc(=O)c2c(o1)cc(c(c2)Cl)C

STK571625
Synonyms: 2- [(2,3- dimethylphenoxy)methyl]- 12- (furan- 2- yl)- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: O=C1CCCC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)COc1cccc(c1C)C

STK847663
Synonyms: N- (5- chloro- 2- methoxyphenyl)- 4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carboxamide
Smiles: COc1ccc(cc1NC(=O)C12CCC(C2(C)C)(C(=O)O1)C)Cl

STK847665
Synonyms: 3- [(5- chloro- 2- methoxyphenyl)amino]- 2- benzofuran- 1(3H)- one
Smiles: COc1ccc(cc1NC1OC(=O)c2c1cccc2)Cl

STK571629
Synonyms: 4- hydroxy- 8- [2- (2- hydroxyethoxy)ethyl]- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: OCCOCCn1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK571642
Synonyms: 3- amino- N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 6- (thiophen- 2- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1cccs1)/N=c\1/sc2c([nH]1)cccc2

STK847672
Synonyms: methyl2- methyl- 4- (4- methylphenyl)- 4,10- dihydropyrimido[1,2- a]benzimidazole- 3- carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c1ccccc1[nH]2

STK571652
Synonyms: 8- (2,3- dihydro- 1,4- benzodioxin- 6- ylsulfonyl)- 7- methyl- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: CC1c2cc3OCCCOc3cc2CCN1S(=O)(=O)c1ccc2c(c1)OCCO2

STK847674
Synonyms: propyl4- ({7- [(dimethylcarbamoyl)oxy]- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 3- yl}oxy)benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N(C)C

STK847675
Synonyms: N- [3- (1H- imidazol- 1- yl)propyl]- 2- methyl- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1cc(NCCCn2cncc2)n2c(n1)c(c1ccccc1)c(n2)C)C

STK571660
Synonyms: 7- hydroxy- 5- [3- methoxy- 4- (prop- 2- en- 1- yloxy)phenyl]- 2- methyl- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(3H)- one
Smiles: C=CCOc1ccc(cc1OC)C1CC(=Nc2c1c(=O)[nH]c(n2)C)O

STK571661
Synonyms: 2- [(6- chloro- 3,4- dimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (pyridin- 3- ylmethyl)propanamide
Smiles: O=C(C(Oc1cc2oc(=O)c(c(c2cc1Cl)C)C)C)NCc1cccnc1

STK571663
Synonyms: 4- hydroxy- 1- methyl- 8- [2- (morpholin- 4- yl)ethyl]- 7,8- dihydro- 1H- imidazo[2,1- f]purin- 2(6H)- one
Smiles: Oc1nc(=O)n(c2c1n1CCN(c1n2)CCN1CCOCC1)C

STK571664
Synonyms: 2- amino- 4- (1,3- benzodioxol- 5- yl)- 5- hydroxy- 7- methyl- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc3c(c1)OCO3)c(O)nc(c2)C