Spaces:
Paused
Paused
File size: 208,402 Bytes
21bcae9 | 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 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220 2221 2222 2223 2224 2225 2226 2227 2228 2229 2230 2231 2232 2233 2234 2235 2236 2237 2238 2239 2240 2241 2242 2243 2244 2245 2246 2247 2248 2249 2250 2251 2252 2253 2254 2255 2256 2257 2258 2259 2260 2261 2262 2263 2264 2265 2266 2267 2268 2269 2270 2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 2291 2292 2293 2294 2295 2296 2297 2298 2299 2300 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320 2321 2322 2323 2324 2325 2326 2327 2328 2329 2330 2331 2332 2333 2334 2335 2336 2337 2338 2339 2340 2341 2342 2343 2344 2345 2346 2347 2348 2349 2350 2351 2352 2353 2354 2355 2356 2357 2358 2359 2360 2361 2362 2363 2364 2365 2366 2367 2368 2369 2370 2371 2372 2373 2374 2375 2376 2377 2378 2379 2380 2381 2382 2383 2384 2385 2386 2387 2388 2389 2390 2391 2392 2393 2394 2395 2396 2397 2398 2399 2400 2401 2402 2403 2404 2405 2406 2407 2408 2409 2410 2411 2412 2413 2414 2415 2416 2417 2418 2419 2420 2421 2422 2423 2424 2425 2426 2427 2428 2429 2430 2431 2432 2433 2434 2435 2436 2437 2438 2439 2440 2441 2442 2443 2444 2445 2446 2447 2448 2449 2450 2451 2452 2453 2454 2455 2456 2457 2458 2459 2460 2461 2462 2463 2464 2465 2466 2467 2468 2469 2470 2471 2472 2473 2474 2475 2476 2477 2478 2479 2480 2481 2482 2483 2484 2485 2486 2487 2488 2489 2490 2491 2492 2493 2494 2495 2496 2497 2498 2499 2500 2501 2502 2503 2504 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515 2516 2517 2518 2519 2520 2521 2522 2523 2524 2525 2526 2527 2528 2529 2530 2531 2532 2533 2534 2535 2536 2537 2538 2539 2540 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550 2551 2552 2553 2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 | smiles,solvent,peakwavs_max
BrC1=CC=CN2B1C=Cc1ccccc12,C1CCCCC1,300.0
Brc1c2ccccc2c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c2ccccc12,CO,400.0
Brc1cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(Br)cc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,425.0
Brc1ccc(C2=C(c3ccc(Br)cc3)c3cccc4c3c(cc3nc5ccccc5nc34)O2)cc1,ClCCl,488.0
Brc1ccc(C=Cc2ccc3c4c(ccc3c2)OC(c2ccccc2)(c2ccccc2)C4=C=C(c2ccccc2)c2ccccc2)cc1,C1CCOC1,463.0
C#CCn1c2ccccc2c2cc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=C(C)C=C(C)C3=C4c3ccc(I)cc3)ccc21,CC#N,579.0
C#CCn1c2ccccc2c2cc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=C(C)C=C(C)C3=C4c3ccc(I)cc3)ccc21,CS(C)=O,589.0
C#CCn1c2ccccc2c2cc(/C=C/c3cc(C)c4n3[B-](F)(F)[N+]3=C(C)C=C(C)C3=C4c3ccc(I)cc3)ccc21,ClC(Cl)Cl,588.0
C#Cc1ccc(/C2=c3\cc/c([nH]3)=C(\c3ccc(C#C)cc3)C3=N/C(=C(/c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(c[nH]4)/C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)=C4/C=CC2=N4)C=C3)cc1,CC(=O)N(C)C,703.0
C(#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-c2nc(-c3ccc(C#Cc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccc(C#Cc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1,ClCCl,361.0
C(#Cc1ccc2c(c1)c1cc(C#Cc3ccccc3)ccc1n2-c1cc2ccccc2c2ccccc12)c1ccccc1,ClCCl,330.0
C(#Cc1ccccc1)C(C#Cc1ccccc1)=Cc1ccc(-c2ccc(C=C(C#Cc3ccccc3)C#Cc3ccccc3)cc2)cc1,ClC(Cl)Cl,394.0
C(#Cc1ccccc1)C(C#Cc1ccccc1)=Cc1cccc(C=C(C#Cc2ccccc2)C#Cc2ccccc2)c1,ClC(Cl)Cl,349.0
C(#Cc1ccccc1)C1=Cc2ccc3ccccc3c2NB1c1ccccc1,C1CCCCC1,387.0
C(#Cc1ccnc(C#Cc2ccc(C=C3C=C(c4ccccc4)OC(c4ccccc4)=C3)cc2)n1)c1ccc(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1,ClCCl,557.0
C(#Cc1ccncc1)C(C#Cc1ccncc1)=Cc1ccc(C=C(C#Cc2ccncc2)C#Cc2ccncc2)s1,ClC(Cl)Cl,522.0
C(/C=C/Nc1ccccc1)=[NH+]c1ccccc1,CS(C)=O,381.0
C(=C(c1nnn[nH]1)c1nnn[nH]1)c1ccc(N(c2ccccc2)c2ccc(C=C(c3nnn[nH]3)c3nnn[nH]3)cc2)cc1,CCO,385.0
C(=C/c1c2ccccc2cc2ccccc12)\c1ccccc1,CC#N,385.0
C(=C/c1c2ccccc2cc2ccccc12)\c1ccccc1,CC1CCCCC1,385.0
C(=C/c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,ClCCl,386.0
C(=C/c1ccc(/C=C/c2ccncc2)c2nsnc12)\c1ccncc1,ClCCl,428.0
C(=C/c1ccncn1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,381.0
C(=C/c1ccncn1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CC#N,381.0
C(=C/c1ccncn1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CCCCCCC,373.0
C(=C/c1ccncn1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,CS(C)=O,393.0
C(=C/c1ccncn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,398.0
C(=C/c1ccncn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CC#N,394.0
C(=C/c1ccncn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CCCCCCC,392.0
C(=C/c1ccncn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,CS(C)=O,401.0
C(=C/c1ccncn1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,400.0
C(=C/c1nc2ccccc2o1)\c1ccc(Cn2cc(COc3cc(Cn4cc(-c5ccc(N(c6ccccc6)c6ccc(-c7cn(Cc8cc(OCc9cn(Cc%10ccc(/C=C/c%11nc%12ccccc%12o%11)cc%10)nn9)cc(OCc9cnnn9Cc9ccc(/C=C/c%10nc%11ccccc%11o%10)cc9)c8)nn7)cc6)cc5)nn4)cc(OCc4cnnn4Cc4ccc(/C=C/c5nc6ccccc6o5)cc4)c3)nn2)cc1,CN(C)C=O,328.0
C(=C1c2ccccc2CCc2ccccc21)c1ccc(C=C2c3ccccc3CCc3ccccc32)cc1,C1CCOC1,330.0
C(=Cc1ccc(-c2cnc3c(ccc4cccnc43)c2)s1)c1cccs1,ClCCl,498.0
C(=Cc1ccc(C=CSC=C(c2ccccc2)c2ccccc2)cc1)SC=C(c1ccccc1)c1ccccc1,ClCCl,366.0
C(=Cc1cccnn1)C=C1C=C(c2ccccc2)OC(c2ccccc2)=C1,ClCCl,427.0
C(=Cc1cnc2ccccc2n1)c1ccc(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1,ClCCl,450.0
C(=NNC(=Cc1ccc2ccccc2n1)c1ccccc1)c1ccccc1,CCO,431.0
C(S/C=C/c1ccc(-c2ccc(/C=C/SC=C3CCCCCCC3)cc2)cc1)=C1CCCCCCC1,ClCCl,352.0
C(S/C=C/c1ccc(/C=C/SC=C2CCCCCCC2)cc1)=C1CCCCCCC1,ClCCl,355.0
C/C(=N\Nc1ccc(C#N)cc1)c1ccccn1,CC#N,342.0
C/C(=N\Nc1ccc(C#N)cc1)c1ccccn1,CCCCCC,347.0
C/C(=N\Nc1ccc(C#N)cc1)c1ccccn1,CO,364.0
C/C(=N\Nc1ccc(C#N)cc1)c1ccccn1,CS(C)=O,351.0
C/C(=N\Nc1ccc(C#N)cc1)c1ccccn1,ClC(Cl)Cl,343.0
C/N=N/C,CCO,340.0
C1=C(c2ccccc2)C=C(c2ccccc2)/C1=C/c1ccc(-c2cccs2)s1,C1CCOC1,439.0
C1=C(c2ccccc2)C=C(c2ccccc2)/C1=C/c1ccc2c(c1)Cc1ccccc1-2,C1CCOC1,384.0
C1=C2B(Nc3ccccc31)c1cc(-c3ccc4c(c3)B3Nc5ccccc5C=C3C(c3ccccc3)=C4c3ccccc3)ccc1C(c1ccccc1)=C2c1ccccc1,ClCCl,411.0
C1=C2B(Nc3ccccc31)c1sccc1C(c1ccccc1)=C2c1ccccc1,ClCCl,382.0
C1=C2B(OB3C(=Cc4ccccc4N3Cc3ccccc3)C(c3ccccc3)=C2c2ccccc2)N(Cc2ccccc2)c2ccccc21,ClCCl,415.0
C1=C2CCC(=Cc3ccc([nH]3)C=c3ccc([nH]3)=Cc3ccc1[nH]3)N2,ClC(Cl)Cl,715.0
C1=CNNC1,CS(C)=O,352.0
C1=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2Cc2cc(N(c3ccccc3)c3ccccc3)ccc21,ClCCl,370.0
C1=Cc2ccccc2C(=Cc2ccc(-c3cc(-c4ccc(C=C5c6ccccc6C=Cc6ccccc65)cc4)cc(-c4ccc(C=C5c6ccccc6C=Cc6ccccc65)cc4)c3)cc2)c2ccccc21,C1CCOC1,325.0
C1=Cc2ccccc2C(=Cc2ccc(C=C3c4ccccc4C=Cc4ccccc43)cc2)c2ccccc21,C1CCOC1,333.0
C1=Cc2nc1c(-c1cncs1)c1ccc([nH]1)c(-c1cncs1)c1nc(c(-c3cncs3)c3ccc([nH]3)c2-c2cncs2)C=C1,CN(C)C=O,662.0
C1=[N+](c2ccccc2)[B-](c2ccccc2)(c2ccccc2)Oc2c1ccc1c3c(ccc21)C=[N+](c1ccccc1)[B-](c1ccccc1)(c1ccccc1)O3,Cc1ccccc1,536.0
C1=[N+](c2ccccc2)[B-](c2ccccc2)(c2ccccc2)Oc2c1ccc1c3c(ccc21)C=[N+](c1ccccc1)[B-](c1ccccc1)(c1ccccc1)O3,ClCCl,529.0
C1=[N+]2N=C(c3ccccc3)O[B-]2(c2ccc([B-]34OC(c5ccccc5)=N[N+]3=Cc3c(ccc5ccccc35)O4)cc2)Oc2ccc3ccccc3c21,C1CCOC1,423.0
C1CCN2CCCn3c2c(c2c3=NCCN=2)C1,CC#N,370.0
C1CCN2CCCn3c2c(c2c3=NCCN=2)C1,CCCCCC,352.0
C=CC(=CC)N(c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)o4)c4nn(CCCCCC)nc34)o2)cc1,C1CCOC1,460.0
C=CC(=CC=CN(c1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)N=C3C(=O)O)s2)cc1)c1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)N=C3C(=O)O)s2)cc1)c1ccc(C=C2C(=O)N(c3ccccc3)N=C2C(=O)O)s1,CN(C)C=O,510.0
C=CCN1c2ccc(C(F)(F)F)cc2C(C)(C)C12CCc1cc([N+](=O)[O-])ccc1O2,CC#N,206.0
C=CCNc1cc2c3c(ccc4c3c1C(=O)N(CC=C)C4=O)C(=O)N(CC=C)C2=O,Cc1ccccc1,513.0
C=CC[C@H](/C=C(/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2)CC)CC,CS(C)=O,550.0
C=Cc1cc2cc3c(cc2oc1=O)OCO3,CC#N,363.0
C=Cc1cc2ccc(OC(=O)c3ccccc3)cc2oc1=O,CC#N,328.0
C=Cc1ccc(-c2nnc(-c3ccccc3)s2)cc1,CN(C)C=O,392.0
C=Cc1ccc(OC)cc1,C1CCCCC1,302.0
C=Cc1cccc(OC)c1,C1CCCCC1,295.0
C=Cc1ccnc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cc(C=C)ccn6)s5)ccc3n4C)s2)c1,Cc1ccccc1,785.63
CC(=O)C(=C(C)O)c1ccc(C#Cc2ccc3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7cccc2c73)c64)C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C5=O)cc1,ClCCl,534.0
CC(=O)N(Cc1ccccn1)c1c2ccccc2c2c3c(cccc13)C(=O)N(Cc1ccccn1)C2=O,C1CCOC1,436.0
CC(=O)N(Cc1ccccn1)c1c2ccccc2c2c3c(cccc13)C(=O)N(Cc1ccccn1)C2=O,CCCCCC,432.0
CC(=O)N(Cc1ccccn1)c1c2ccccc2c2c3c(cccc13)C(=O)N(Cc1ccccn1)C2=O,CCO,437.0
CC(=O)N(Cc1ccccn1)c1c2ccccc2c2c3c(cccc13)C(=O)N(Cc1ccccn1)C2=O,Cc1ccccc1,437.0
CC(=O)N(Cc1ccccn1)c1c2ccccc2c2c3c(cccc13)C(=O)N(Cc1ccccn1)C2=O,ClCCl,439.0
CC(=O)Nc1ccc(C2=C/C(=C\c3ccc(C#N)cc3)C(=O)N2CC(C)C)cc1,C1COCCO1,450.0
CC(=O)Nc1ccc(C2=C/C(=C\c3ccc(C#N)cc3)C(=O)O2)cc1,C1COCCO1,424.0
CC(=O)Nc1ccc(C=C2Oc3ccccc3C2=O)cc1,CO,395.0
CC(=O)OC(CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1)c1ccccc1,CS(C)=O,432.0
CC(=O)OCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,427.0
CC(=O)OCOC(=O)CNC(CCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4ccc[nH]4)n3[B-]2(F)F)C=C1)C(=O)OCOC(C)=O,O,575.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,C1CCOC1,434.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,CC#N,434.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,CC(C)=O,434.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,CS(C)=O,442.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,Cc1ccccc1,436.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,ClC(Cl)Cl,440.0
CC(=O)O[B-]1(OC(C)=O)OC(/C=C/c2ccc(C)cc2)=CC(/C=C/c2ccc(C)cc2)=[O+]1,ClCCl,440.0
CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,C1CCCCC1,373.0
CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,C1CCOC1,377.0
CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,C1COCCO1,376.0
CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,CC#N,375.0
CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,CCO,377.0
CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,CS(C)=O,377.0
CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,Cc1ccccc1,376.0
CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,ClC(Cl)Cl,377.0
CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2,ClCCl,377.0
CC(=O)c1c2c(cc3ccc(NCc4ccccc4)cc13)CCC2,ClCCl,368.0
CC(=O)c1c2c(cc3ccc(Nc4ccccc4)cc13)CCC2,ClCCl,367.0
CC(=O)c1ccc(-c2cnc3nn4ccccc4c3c2)cc1,C1CCOC1,386.0
CC(=O)c1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,CC#N,392.0
CC(=O)c1ccc(/C=C/C=C/C2=NC3C(=O)NC(N)=NC3N2[C@H]2C[C@H](O)[C@@H](CO)O2)cc1,CO,388.0
CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,C1CCOC1,438.0
CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,CC#N,432.0
CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,CC(=O)O,544.0
CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,CN(C)C=O,452.0
CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,CO,443.0
CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,CS(C)=O,459.0
CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,Cc1ccccc1,429.0
CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,ClC(Cl)Cl,427.0
CC(=O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1,ClCCl,432.0
CC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,C1CCCCC1,321.0
CC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,C1CCOC1,328.0
CC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,CC#N,331.0
CC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1,CCOCC,323.0
CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)CC#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3N)ccc1-2,CCO,365.0
CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)CC#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3N)ccc1-2,CCOC(C)=O,357.0
CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)CC#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3N)ccc1-2,CN(C)C=O,366.0
CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)CC#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3N)ccc1-2,CO,364.0
CC(=O)c1ccc2c(c1)C(C)(C)c1cc(N(C)CC#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3N)ccc1-2,CS(C)=O,370.0
CC(C)(C(=O)c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1)C(=O)c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1,Cc1ccccc1,390.0
CC(C)(C)/C=C1\C=C(c2ccccc2)C=C1c1ccccc1,C1CCOC1,400.0
CC(C)(C)C(=O)C1(N)NC(=O)c2nccnc2N1,C1CCOC1,326.0
CC(C)(C)C1=CC(=CC=C2C=CC(=O)c3ncccc32)C=C(C(C)(C)C)O1,CC#N,540.0
CC(C)(C)C1CCC(=CSC=Cc2ccc(C=CSC=C3CCC(C(C)(C)C)CC3)cc2)CC1,ClCCl,351.0
CC(C)(C)CC(C)(C)c1ccc(N(c2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccc3c4ccc5c6c(ccc(c7cccc2c73)c64)C(=O)N(CC(=O)O)C5=O)cc1,ClCCl,590.0
CC(C)(C)CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c5c6ccc(N(c7ccc(C(C)(C)CC(C)(C)C)cc7)c7ccc(C(C)(C)CC(C)(C)C)cc7)c7cccc(c2c45)c76)C(=O)OC3=O)cc1,ClCCl,599.0
CC(C)(C)NC(=O)C(OC(=O)c1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1)c1ccc(Br)cc1,C1CCOC1,505.0
CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)C1=CC2=C(c3cccs3)c3cccn3[B-](F)(F)[N+]2=C1,CCOC(C)=O,513.5
CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccc(C2=C3C=CC(c4ccc([N+](=O)[O-])cc4)=[N+]3[B-](F)(F)n3cccc32)cc1,C1CCOC1,537.0
CC(C)(C)NC(=O)C(OC(=O)c1ccccc1)c1ccc(C2=C3C=CC(c4ccc([N+](=O)[O-])cc4)=[N+]3[B-](F)(F)n3cccc32)cc1,CC#N,530.5
CC(C)(C)NC(=O)c1cc2ccccc2c2ccc3c4ccccc4c4ccccc4c3c12,ClCCl,305.0
CC(C)(C)Nc1c(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)nc2c(Cl)cc(Cl)cn12,ClC(Cl)Cl,329.18
CC(C)(C)OC(=O)N1C(=O)C2=C(c3ccc(C=Cc4ccccc4)cc3)N(C(=O)OC(C)(C)C)C(=O)C2=C1c1ccc(C=Cc2ccccc2)cc1,ClCCl,479.0
CC(C)(C)OC(=O)NCC(=O)OCc1ccc2c3cccc4cccc(c5cccc1c52)c43,CCO,439.0
CC(C)(C)OC(=O)NCCCN1Cc2c(-c3ccc(C#N)cc3)c3ccc4occc4n3c2C1=O,ClCCl,381.0
CC(C)(C)OC(=O)NCCCN1Cc2cc3ccc4oc(-c5ccccc5)cc4n3c2C1=O,ClCCl,391.0
CC(C)(C)OC(=O)n1ccc2c3ccc4cccc5ccc(cc21)c3c54,CCOC(C)=O,371.0
CC(C)(C)[Si](C)(C)OCc1cc(C=C(C#N)C(=O)O)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,460.0
CC(C)(C)c1cc(-n2c(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc3c2cc(-c2ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc2)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,ClCCl,398.0
CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(C#Cc3ncccn3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1,C1CCOC1,656.0
CC(C)(C)c1cc2c3c(c1)C(C)(C)c1cc(C(C)(C)C)cc4c1N3c1c(cc(-c3cc5sc(/C=C/c6cc7sc(/C=C(\C#N)C(=O)S)cc7s6)cc5s3)cc1C4(C)C)C2(C)C,C1CCOC1,474.0
CC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)c3cc4c(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)c5ccc6ccccc6c5c4c4ccc5cccc2c5c34)cc1,ClCCl,425.0
CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)cc3)c3nsnc23)cc1,ClCCl,389.0
CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1,C1CCCCC1,256.0
CC(C)(C)c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccc(/C=C(/C#N)C(=O)O)s4)cc3)c3ccc(/C=C/c4ccc(/C=C(\C#N)C(=O)O)s4)cc3)cc2)cc1,ClCCl,511.0
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,338.0
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,C1COCCO1,338.0
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CC#N,334.0
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCCC,337.0
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCCCOCCCC,339.0
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCN(CC)CC,337.0
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOC(C)=O,335.0
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CCOCC,335.0
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,CN(C)C=O,339.0
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,Cc1ccccc1,339.0
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClC=C(Cl)Cl,340.0
CC(C)(C)c1ccc(-c2nc3c4ccc(-c5ccc6ccccc6c5)cc4c4cc(-c5ccc6ccccc6c5)ccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1,ClCCl,338.0
CC(C)(C)c1ccc(-c2nnc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)o2)cc1,Cc1ccccc1,333.0
CC(C)(C)c1ccc(-n2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,361.0
CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)c3ccc4c5cccc6c(NCC(=O)O)ccc(c7ccc(c3c47)C2=O)c65)c1,ClCCl,506.0
CC(C)(C)c1ccc(C2=C(c3ccc(C(C)(C)C)cc3)[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1,C1CCOC1,341.0
CC(C)(C)c1ccc(C2=CC(=Cc3ncc(/C=C(\C#N)C(=O)O)s3)C=C(c3ccc(C(C)(C)C)cc3)O2)cc1,ClCCl,543.0
CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2-c2nnc(COc3ccc(Cl)cc3Cl)o2)cc1,ClCCl,262.0
CC(C)(C)c1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C=C2\N=C(C=C2/C=C/C=C/C(=O)O)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(C(C)(C)C)cc2)cc1,CCO,628.0
CC(C)(C)c1ccc(N(c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)s3)cc2)c2ccc(C(C)(C)C)cc2)cc1,C1CCOC1,439.0
CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc4c5cc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)ccc5c(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4c3c2)cc1,ClCCl,433.0
CC(C)(C)c1ccc(N(c2ccc(N(/C3=c4\cc/c5n4[Zn]n4c(ccc4/C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)=C4/C=CC3=N4)/C(C#Cc3ccc(C(=O)O)cn3)=C3/C=CC(=N3)/C=5c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1,CCO,659.0
CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc5ccc2c3c54)cc1,ClCCl,428.0
CC(C)(C)c1ccc(N2c3ccccc3Sc3cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)s4)ccc32)cc1,C1CCOC1,446.0
CC(C)(C)c1ccc(O)c(O)c1,C1CCOC1,282.0
CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)C)cc9)c(c2c45)c86)C(=O)N(c2ccccc2)C7=O)C(=O)N(c2ccccc2)C3=O)cc1,ClC(Cl)Cl,586.0
CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)C)cc9)c(c2c45)c86)C(=O)OC7=O)C(=O)OC3=O)cc1,ClC(Cl)Cl,581.0
CC(C)(C)c1ccc2c(c1)C(=O)C(c1ccc3cccc(N4C(=O)c5ccc(C(C)(C)C)cc5C4=O)c3n1)C2=O,COCC(C)OC(C)=O,456.0
CC(C)(C)c1ccc2c(c1)C(c1ccc(-n3c4ccccc4c4ccccc43)cc1)(c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1cc(C(C)(C)C)ccc1-2,ClCCl,436.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cc3c(s2)-c2sc(/C=C(\C#N)C(=O)O)cc2C3(C)C)s1,C1CCOC1,490.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)cc1,ClC(Cl)Cl,468.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(N(c8ccc(-n9c%10ccc(C(C)(C)C)cc%10c%10cc(C(C)(C)C)ccc%109)cc8)c8ccc(-n9c%10ccc(C(C)(C)C)cc%10c%10cc(C(C)(C)C)ccc%109)cc8)cc7)s6)s5)s4)s3)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,450.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)cc4)c4nsnc34)cc2)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1,ClCCl,462.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(-n5c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6c6cc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)ccc65)cc4c4cc(-n5c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6c6cc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)ccc65)ccc43)ccc1n2-c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1,ClCCl,413.0
CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2CCCCCCN1c2ccccc2Sc2cc(C=C(C(=O)O)C(=O)O)ccc21,C1CCOC1,380.0
CC(C)(C)c1ccc2c3ccccc3c3cncnc3c2c1,ClCCl,348.0
CC(C)(C)c1ccc2cc3c4cccc5cccc(c6cc(C(C)(C)C)cc(c2c1)c63)c54,CC1CCCCC1,438.0
CC(C)(C)c1ccc2ccc3cccc4ccc1c2c34,CCCCCC,338.0
CC(C)(C)c1ccc2ccc3cccc4ccc1c2c34,CO,338.0
CC(C)(C)c1ccc2ccc3cccc4ccc1c2c34,ClCCl,341.0
CC(C)(C)c1ccc2oc3nc4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c4cc3c2c1,ClC(Cl)Cl,347.0
CC(C)=[N+]1N=C2C=CC(Br)=CN2[B-]1(F)F,CC(C)=O,403.0
CC(C)=[N+]1N=C2C=CC(Br)=CN2[B-]1(F)F,CO,403.0
CC(C)=[N+]1N=C2C=CC(Br)=CN2[B-]1(F)F,Cc1ccccc1,406.0
CC(C)=[N+]1N=C2C=CC(Br)=CN2[B-]1(F)F,ClCCl,408.0
CC(C)=[N+]1N=C2C=CC(Br)=CN2[B-]1(F)F,O,404.0
CC(C)CC(=O)NC1=CC(=O)C(=O)c2ccccc21,CCO,271.0
CC(C)CCC1(CCC(C)C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCC(C)C)(CCC(C)C)c4ccccc4-5)c4ccc5cc(C(C)(C)C)cc6ccc3c4c65)cc21,ClCCl,414.0
CC(C)CCOc1ccc(N2c3ccccc3Sc3cc(/C=C/c4nc5cc(-c6ccc(/C=C(\C#N)C(=O)O)s6)c(-c6ccc(/C=C(\C#N)C(=O)O)s6)cc5nc4/C=C/c4ccc5c(c4)Sc4ccccc4N5c4ccc(OCCC(C)C)cc4)ccc32)cc1,C1CCOC1,488.0
CC(C)CN1C(=O)/C(=C/c2ccc(C#N)cc2)C=C1c1ccccc1,C1COCCO1,440.0
CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(ccc4cc5ccccc5cc43)nc12)(C(C)C)C(C)C,CCCCCC,644.0
CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(ccc4cc5ccccc5cc43)nc12)(C(C)C)C(C)C,CCCCCC,536.0
CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(ccc4ccccc43)nc12)(C(C)C)C(C)C,CCCCCC,544.0
CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3ccccc3nc12)(C(C)C)C(C)C,CCCCCC,570.0
CC(C)[Si](C#Cc1c2ccccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3ccccc3nc12)(C(C)C)C(C)C,ClCCl,570.0
CC(C)[Si](C#Cc1c2nsnc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3c(ccc4cc5ccccc5cc43)nc12)(C(C)C)C(C)C,CCCCCC,579.0
CC(C)[Si](C#Cc1cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(c1)c2c34)(C(C)C)C(C)C,ClCCl,389.0
CC(C)[Si](C#Cc1ccc2c(c1)C=C1B(N2)c2cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc2C(c2ccccc2)=C1c1ccccc1)(C(C)C)C(C)C,ClCCl,402.0
CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,C1CCCCC1,390.0
CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,CC#N,391.0
CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,CCO,395.0
CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,CCOCC,384.0
CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,CS(C)=O,400.0
CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,ClCCl,397.0
CC(C)[Si]1(C(C)C)c2cc(C=O)ccc2-c2ccc(N(C)C)cc21,c1ccccc1,392.0
CC(C)c1ccc(-c2nc3c(c4c2-c2ccccc2CC4)-c2ccccc2CC3)cc1,ClC(Cl)Cl,359.0
CC(C)c1ccc2ccc3c(C(C)C)ccc4ccc1c2c43,CCCCCC,345.0
CC(C)c1ccc2ccc3c(C(C)C)ccc4ccc1c2c43,CO,343.0
CC(C)c1ccc2ccc3c(C(C)C)ccc4ccc1c2c43,ClCCl,346.0
CC(C)c1cccc(C(C)C)c1N=C1N=C2C=CC=CN2C1=Nc1c(C(C)C)cccc1C(C)C,C1CCOC1,531.0
CC(C)n1nc(CCC(=O)c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,CC#N,360.0
CC(C)n1nc(CCC(=O)c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,Cc1ccccc1,360.0
CC(C)n1nc(CCC(=O)c2ccc3cc(N(C)C)ccc3c2)c2c(N)ncnc21,O,375.0
CC(CO)N1Cc2c(-c3ccccc3)c3cc(-c4ccccc4)ccn3c2C1=O,ClCCl,350.0
CC(CO)N1Cc2c(-c3ccccc3)c3cc(C#N)ccn3c2C1=O,ClCCl,388.0
CC/[NH+]=c1\cc2oc3cc(NCCNC(=O)C(NC(=O)OC(C)(C)C)C(C)C)c4ccccc4c3nc-2cc1C,CCO,590.0
CC/[NH+]=c1\cc2oc3cc(NCCNC(=O)C(NC(=O)OC(C)(C)C)C(C)C)c4ccccc4c3nc-2cc1C,O,590.0
CC1(C)C(/C=C/C2=C(c3ccc(C(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21,CO,770.0
CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21,O,780.0
CC1(C)C(C=CC=CC=C2N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=Nc2ccc(S(=O)(=O)O)cc21,O,640.0
CC1(C)C(c2ccc(/C=C(\C#N)C(=O)O)o2)=Nc2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,453.0
CC1(C)C2=[N+](c3ccc(Br)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,CO,472.0
CC1(C)C2=[N+](c3ccc(Br)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,CS(C)=O,476.0
CC1(C)C2=[N+](c3ccc(Br)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,Cc1ccccc1,476.0
CC1(C)C2=[N+](c3ccc(Br)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,ClCCl,472.0
CC1(C)C2=[N+](c3ccc(Br)cc31)[B-](F)(F)n1cccc1-c1c2cc2n1CC=C2,O,492.0
CC1(C)C=C(CS(=O)(=O)O)c2cc3c(cc2=N1)Oc1cc2c(cc1C=3c1cccc(C(=O)O)c1C(=O)O)C(CS(=O)(=O)O)=CC(C)(C)N2,O,276.0
CC1(C)CC(/C=C/c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)=C/C(=C(\C#N)C(=O)O)C1,ClC(Cl)Cl,480.0
CC1(C)CC(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=CC(=C(C#N)C#N)C1,ClC(Cl)Cl,498.0
CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,C1CCOC1,423.0
CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,C1COCCO1,418.0
CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,CCO,422.0
CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,CCOC(C)=O,420.0
CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,CN(C)C=O,427.0
CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,CO,417.0
CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,CS(C)=O,432.0
CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,Cc1ccccc1,422.0
CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,ClC(Cl)Cl,425.0
CC1(C)CC(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=CC(=C(C#N)C#N)C1,ClCCl,423.0
CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccc(OCCCNCCNc4ccnc5cc(Cl)ccc45)cc3c1C2c1ccc(Cl)cc1,CO,329.0
CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(C#Cc4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)c5nsnc45)s2)c(=O)oc31,CCO,512.0
CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,C1CCOC1,458.0852038
CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,C1COCCO1,459.9816007
CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,CC#N,459.9816007
CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,CC(C)O,454.9590537
CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,CCCCCC,452.079566
CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,CN(C)C=O,458.9261129
CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,CO,457.0383912
CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,ClC(Cl)Cl,461.0419548
CC1(C)CCc2c(c3ccccc3c3nc4c5c(c6ccccc6c4nc23)OC(C)(C)CC5)O1,c1ccccc1,459.9816007
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,C1CCOC1,406.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CC#N,402.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CCCCO,416.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CCCO,414.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CCO,414.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CCOC(C)=O,404.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CN(C)C=O,410.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CO,412.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,CS(C)=O,414.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,Cc1ccccc1,400.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,ClC(Cl)(Cl)Cl,402.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,ClCCl,402.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,O,382.0
CC1(C)Nc2ccccc2-c2[nH]c3ccccc3c(=O)c21,c1ccccc1,402.0
CC1(C)OC(=C(C#N)C#N)C(S(=O)(=O)c2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,C1CCCCC1,499.0
CC1(C)OC(=C(C#N)C#N)C(S(=O)(=O)c2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,C1CCOC1,489.0
CC1(C)OC(=C(C#N)C#N)C(S(=O)(=O)c2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,Cc1ccccc1,504.0
CC1(C)OC(=C(C#N)C#N)C(S(=O)(=O)c2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,ClC(Cl)Cl,515.0
CC1(C)OC(=C(C#N)C#N)C(S(=O)(=O)c2ccccc2)=C1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1,ClCCl,506.0
CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,CC#N,344.0
CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,CCCCCC,344.0
CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,CCCCO,352.0
CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,CCO,358.0
CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,CCOC(C)=O,344.0
CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,CO,353.0
CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,Cc1ccccc1,346.0
CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,ClC(Cl)Cl,352.0
CC1(C)[C@@H]2CC[C@]1(C)c1nc3cc(-c4cccs4)ccc3nc12,ClCCl,345.0
CC1(C)c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2N2CC(=O)NC21C,C1CCOC1,349.0
CC1(C)c2cc(Br)ccc2-c2cc3c(C#Cc4ccccc4)c4ccccc4c(C#Cc4ccccc4)c3cc21,ClCCl,479.0
CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(-c5ccc(/C=C/C=C(/C#N)C(=O)O)s5)s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21,CCO,459.0
CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5sc(-c6ccc(/C=C(\C#N)C(=O)O)s6)cc5s4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClC(Cl)Cl,436.0
CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cnc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClCCl,575.0
CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4sc(-c5sc(/C=C(\C#N)C(=O)O)c6c5C5C=CC6CC5)c5c4C4C=CC5CC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClCCl,472.0
CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4sc(C=C(C#N)C(=O)O)c5c4OCCO5)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,ClC(Cl)Cl,525.0
CC1(C)c2ccccc2-c2ccc(N(c3ccc(N=Nc4ccc([N+](=O)[O-])cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21,Cc1ccccc1,522.0
CC1(C)c2ccccc2-c2ccc(N3c4ccc(-c5ccc(-c6ccc(C=C7C(=O)c8ccc(C(=O)O)cc8C7=O)s6)s5)cc4C4CCCC43)cc21,ClC(Cl)Cl,605.0
CC1(C)c2ccccc2-c2ccc(N3c4ccc(C=C5C(=O)c6ccc(C(=O)O)cc6C5=O)cc4C4CCCC43)cc21,ClC(Cl)Cl,540.0
CC1(C)c2ccccc2N(c2ccc(-c3ccc(C#N)c(C#N)n3)cc2)c2ccccc21,Cc1ccccc1,404.0
CC1(C)c2ccccc2N(c2ccc(-c3ncc(C#N)cn3)cc2)c2ccccc21,Cc1ccccc1,396.0
CC1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)o3)cc2)c2ccccc21,Cc1ccccc1,341.0
CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2c2nc4ccccc4nc32)c2ccccc21,Cc1ccccc1,382.0
CC1(C)c2ccccc2N(c2cccc(S(=O)(=O)c3cccc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c2)c2ccccc21,C1CCOC1,281.0
CC1(C)c2ccccc2N(c2cccc(S(=O)(=O)c3cccc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c2)c2ccccc21,Cc1ccccc1,301.0
CC1(C)c2ccccc2N(c2cccc(S(=O)(=O)c3cccc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c2)c2ccccc21,ClC(Cl)Cl,287.0
CC1=C(C#Cc2ccccc2)C2=Cc3c(C#Cc4ccccc4)c(C)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,570.0
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,C1CCCCC1,529.0
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,C1CCOC1,525.1
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,C1COCCO1,525.1
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CC#N,520.8
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CC(C)=O,522.5
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CC(C)CC(C)(C)C,527.5
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCC(C)C,527.1
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCC(C)=O,523.7
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCCCC,527.5
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCCCCCCO,527.3
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCCCCO,526.7
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCCO,526.1
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCCOC(C)=O,524.3
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCCO,525.3
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCO,524.3
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCOC(C)=O,523.2
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CCOCC,525.1
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CN(C)C=O,524.0
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CNC=O,522.3
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,CO,522.9
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,COC(C)=O,522.5
CC1=C(C(C)(C)C)C(C)=[N+]2C1=C(C)c1c(C)c(C(C)(C)C)c(C)n1[B-]2(F)F,OCC(F)(F)F,521.6
CC1=C(C)C(c2c(C)c(C)c3n2[B-](F)(F)[N+]2=C(C)C(C)=C(C)C2=C3)=[N+]2C1=Cc1c(C)c(C)c(C)n1[B-]2(F)F,ClCCl,562.0
CC1=C([Fe]C2=C(C)c3c(C)ccc(C)c3C2C)C(C)c2c(C)ccc(C)c21,ClCCl,422.0
CC1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(C)=[N+]2C1=C(c1c(-c3ccccn3)nc3ccccn13)c1c(C)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(C)n1[B-]2(F)F,ClCCl,568.0
CC1=C(c2ccccc2)C2=Cc3c(-c4ccccc4)c(C)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,538.0
CC1=C(c2ccccc2)Oc2ccc3c4c(ccc1c24)C(C)=C(c1ccccc1)O3,ClCCl,466.0
CC1=C(c2cccs2)C(C)=[N+]2C1=C(c1ccc(O)cc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,CO,521.0
CC1=C(c2cccs2)C(C)=[N+]2C1=C(c1ccc(O)cc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,Cc1ccccc1,530.0
CC1=C(c2cccs2)C(C)=[N+]2C1=C(c1ccc(O)cc1)c1c(C)c(-c3cccs3)c(C)n1[B-]2(F)F,ClCCl,528.0
CC1=C(c2cccs2)C2=Cc3c(-c4cccs4)c(C)c(C)n3[B-](F)(F)[N+]2=C1C,CC#N,548.0
CC1=CC(/C=C/c2c3ccccc3c(C)c3ccccc23)=[N+]2C1=C(c1ccccc1)c1c(C)cc(/C=C/c3c4ccccc4c(C)c4ccccc34)n1[B-]2(F)F,CC1CCCO1,632.0
CC1=CC(/C=C/c2ccc(N(C)C)cc2)=[N+]2C1=C(c1ccccc1)c1c(C)cc(/C=C/c3ccc(N(C)C)cc3)n1[B-]2(F)F,ClC(Cl)Cl,700.0
CC1=CC(=[N+]2CCC2)C=C2C1=Nc1c(C)cc(N3CCC3)cc1[Si]2(C)C,C1COCCO1,701.0
CC1=CC(=[N+]2CCC2)C=C2C1=Nc1c(C)cc(N3CCC3)cc1[Si]2(C)C,CCO,732.0
CC1=CC(=[N+]2CCC2)C=C2C1=Nc1c(C)cc(N3CCC3)cc1[Si]2(C)C,O,725.0
CC1=CC(=[N+]2CCC2)C=C2C1=Nc1c(C)cc(N3CCC3)cc1[Si]2(C)C,OCCO,736.0
CC1=CC(C)(C)N(CCCS(=O)(=O)[O-])c2cc3[o+]c(-c4ccccc4)cc(/C=C/C=C4\N(CCCS(=O)(=O)[O-])c5ccc(S(=O)(=O)[O-])cc5C4(C)CCCC(=O)O)c3cc21,CCO,674.0
CC1=CC(C)(C)N(CCCS(=O)(=O)[O-])c2cc3oc(=O)c(-c4cc[n+](CCCCCC(=O)O)cc4)cc3cc21,CCO,512.0
CC1=CC(C)(C)Nc2ccc3c(-c4cccc(CN5CCOCC5)c4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
CC1=CC(C)(C)Nc2ccc3c(-c4ccccc4)c4ccc(=[NH2+])cc-4n(C)c3c21,O,500.0
CC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]2(Oc1ccccc1)Oc1ccccc1,ClC(Cl)Cl,506.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(/C=C/c3ccc(N(C)C)cc3)n1[B-]2(F)F,CCOCC,591.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,C1CCOC1,499.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC#N,496.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC(=O)C(C)(C)C,496.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,CC(C)=O,496.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,CCCCCC,500.0
CC1=CC(C)=[N+]2C1=C(c1ccc(N(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F,CCOC(C)=O,498.0
CC1=CC(C)=[N+]2C1=Cc1c(C)c(C3=C(C)C4=Cc5c(C)cc(C)n5[B-](F)(F)[N+]4=C3C)c(C)n1[B-]2(F)F,ClCCl,526.0
CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/c3c(C)noc3C)n1[B-]2(F)F,CO,552.0
CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/c3cccc4ccccc34)n1[B-]2(F)F,CO,567.0
CC1=CC=[N+]2C1=C(c1ccc(-c3ccc4c5ccc(N(c6ccccc6)c6ccccc6)cc5n(CCCCCCC(=O)O)c4c3)cc1)c1c(C)ccn1[B-]2(F)F,C1COCCO1,501.0
CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1CCO,C1CCOC1,354.0
CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1CCO,CC#N,352.0
CC1=N/C(=C\c2cccc(N(C)C)c2)C(=O)N1CCO,CCCCCC,352.0
CC1=[N+]2C(=C(Oc3cc(C)c4c(c3)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O4)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,570.5
CC1=[N+]2C(=C(Oc3cc(C)c4c(c3)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O4)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,575.0
CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,C1CCOC1,517.0
CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CC#N,514.0
CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CCCCCC,515.5
CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CCO,515.0
CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CN(C)C=O,517.0
CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CO,517.0
CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,CS(C)=O,519.0
CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,Cc1ccccc1,519.0
CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,518.0
CC1=[N+]2C(=C(c3c4ccccc4cc4ccccc34)c3ccc(C)n3[B-]2(F)F)C=C1,ClCCl,518.0
CC1=[N+]2C(=C(c3ccc4c(c3)Cc3ccccc3-4)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,C1CCCCC1,597.5
CC1=[N+]2C(=C(c3ccc4c(c3)Cc3ccccc3-4)c3ccc(C)n3[B-]2(F)F)C=C1c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1c(C)cc(C)cc1C,CCOC(C)=O,598.5
CC1=[N+]2C(=c3c4c5ccccc5cc5cccc(c6cc(C)n(c36)[B-]2(F)F)c54)C=C1,C1CCOC1,584.0
CC1=[N+]2C(=c3c4c5ccccc5cc5cccc(c6cc(C)n(c36)[B-]2(F)F)c54)C=C1,CCCCCC,583.0
CC1=[N+]2C(=c3c4c5ccccc5cc5cccc(c6cc(C)n(c36)[B-]2(F)F)c54)C=C1,CO,583.0
CC1=[N+]2C(=c3c4c5ccccc5cc5cccc(c6cc(C)n(c36)[B-]2(F)F)c54)C=C1,CS(C)=O,587.0
CC1=[N+]2C(=c3c4c5ccccc5cc5cccc(c6cc(C)n(c36)[B-]2(F)F)c54)C=C1,ClC(Cl)Cl,584.0
CC1=[N+]2C(=c3c4c5ccccc5cc5cccc(c6cc(C)n(c36)[B-]2(F)F)c54)C=C1,ClCCl,583.0
CC1=c2ccccc2=[N+]2C1=Cc1c3ccccc3c(-c3[nH]c4ccccc4c3C)n1[B-]2(F)F,ClCCl,611.0
CC1C(=O)c2cccc3cc(N=Cc4ccc(-c5ccc(C=Nc6cc7c8c(cccc8c6)C(=O)CC7=O)s5)s4)cc(c23)C1=O,ClC(Cl)Cl,429.0
CC1CC(C)(C)N(C)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc21,CCO,462.0
CC1CC(C)(C)N(C)c2ccc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)cc21,ClCCl,525.0
CC1CC(C)(C)N(C)c2ccc(C=Cc3ccc(C=Cc4ccc(C=C(C#N)C(=O)O)s4)s3)cc21,CCO,492.0
CC1CCCC(CC(=O)OCCN(C)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc2)(CC(=O)OCCN(C)c2ccc(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)s3)cc2)C1,C1CCOC1,487.0
CC1CCCc2cc3cc4ccccc4nc3nc21,CN(C)C=O,365.0
CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,C1COCCO1,350.0
CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CC#N,351.0
CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CCO,342.0
CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,CS(C)=O,355.0
CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,Cc1ccccc1,352.0
CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,ClC(Cl)Cl,352.0
CC1CN1c1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2,O,345.0
CC1c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3cc21,CS(C)=O,396.0
CC1c2cc(-c3ccccc3)ccc2-c2cc3nc4c5cccc6ccc7cccc(c4nc3cc21)c7c65,CS(C)=O,428.0
CCB1c2ccccc2Nc2ccccc21,ClCCl,381.0
CCC(C)(C)c1ccc2c(c1)C(CC)(CC)c1cc(-c3ccc(-c4ccc5c(c4)C(CC)(CC)c4cc(C(C)(C)CC)ccc4-5)cc3)ccc1-2,C1CCCCC1,332.0
CCC(C)(C)c1ccc2c(c1)C(CCOC)(CCOC)c1cc(-c3ccc(-c4ccc5c(c4)C(CCOC)(CCOC)c4cc(C(C)(C)CC)ccc4-5)cc3)ccc1-2,C1CCCCC1,332.0
CCC(C)n1c(Nc2ccc(F)cc2)nc2cc3c(C)c(C(N)=O)c(=O)oc3cc21,CCO,358.0
CCC(CC)CCCCOc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccc(C5=CC=C(/C=C(/C#N)C(=O)O)C5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)ccc2N3CCCCC(CC)CC)cc1,C1CCOC1,471.0
CCC(CC)CCCCOc1ccc2cc(-c3ccc(-c4ccc5c(c4)Sc4cc(-c6ccc(C7=CC=C(/C=C(\C#N)C(=O)O)C7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)ccc4N5CCCCC(CC)CC)cc3)ccc2c1,C1CCOC1,466.0
CCC(CC)CCCCOc1ccc2ccccc2c1-c1c(OCCCCC(CC)CC)ccc2cc(-c3ccc(-c4ccc5c(c4)Sc4cc(-c6ccc(C7=CC=C(/C=C(\C#N)C(=O)O)C7)c7nc(-c8ccccc8)c(-c8ccccc8)nc67)ccc4N5CCCCC(CC)CC)cc3)ccc12,C1CCOC1,472.0
CCC(CC)COC1=CC2=C3c4cc(OCC(CC)CC)c(-c5cccs5)n4[B-](F)(F)[n+]4c3n(c3cc(C(C)(C)C)ccc34)[B-](F)(F)[N+]2=C1c1cccs1,C1CCOC1,792.0
CCC(CC)COC1=CC2=C3c4cc(OCC(CC)CC)c(-c5cccs5)n4[B-](F)(F)[n+]4c3n(c3cc(C(C)(C)C)ccc34)[B-](F)(F)[N+]2=C1c1cccs1,ClCCl,791.0
CCC1(C)C(=O)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)C(CCC(=O)OC)=C4C)c(C)c3/C=C/C(=O)O,CCO,740.0
CCC1(CC)c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2-c2ccc(N(c3ccccc3)c3ccc(C=C4c5ccccc5-c5ccccc54)cc3)cc21,ClCCl,470.0
CCC1(CC)c2cc(/C=C/c3ccc(C=C(C#N)C(=O)O)o3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,459.0
CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCCCC1,500.0
CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1CCOC1,506.0
CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CCOC(C)=O,502.0
CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,CN(C)C=O,506.0
CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,Cc1ccccc1,503.0
CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClC(Cl)Cl,503.0
CCC1(CC)c2cc(C#Cc3cc(C#Cc4ccc5c(c4)C(CC)(CC)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccc5c(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc(C#Cc6ccc7c(c6)C(CC)(CC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,504.0
CCC1(CC)c2cc(C#Cc3cccs3)ccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(C#Cc4cccs4)ccc2-3)C(CC)(CC)c2cc(C#Cc3cccs3)ccc2-1,C1CCOC1,362.0
CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,C1CCCCC1,480.0
CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,CC#N,474.0
CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,CCO,478.0
CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,CCOCC,470.0
CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,CS(C)=O,490.0
CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,ClCCl,490.0
CCC1(CC)c2cc(C=C(C#N)C#N)ccc2-c2ccc(N(C)C)cc21,c1ccccc1,480.0
CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,C1CCCCC1,341.0
CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,CC#N,302.0
CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,CCO,342.0
CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,CCOCC,342.0
CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,CS(C)=O,350.0
CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,ClCCl,344.0
CCC1(CC)c2cc(N(C)C)ccc2-c2ccc(C(F)(F)F)cc21,c1ccccc1,346.0
CCC1(CC)c2cc(N(c3ccccc3)c3ccccc3)ccc2C2C=CC(c3ccc(/C=C(\C#N)C(=O)O)s3)=CC21,CC(C)=O,406.0
CCC1(CC)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3)c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc21,CN(C)C=O,477.0
CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OC)n1C)c2=O,C1CCCCC1,396.0
CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OC)n1C)c2=O,CO,397.0
CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OC)n1C)c2=O,CS(C)=O,397.0
CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OC)n1C)c2=O,ClC(Cl)Cl,398.0
CCC1=C(C)C(=O)n2c1cc1c(c(C)c(C(=O)OC)n1C)c2=O,c1ccccc1,397.0
CCC1=C(C)C2=C(c3ccc(C(=O)O)cc3)C3=C(C)C(CC)C(C)=[N+]3[B-](C#COCCOC)(C#COCCOC)N2C1C,CC#N,520.0
CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccncc3)(Oc3ccccc3-4)[N+]2=C1C=Cc1ccc(OC)cc1,CC#N,690.0
CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccncc3)(Oc3ccccc3-4)[N+]2=C1C=Cc1ccc(OC)cc1,CCCCCC,698.0
CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccncc3)(Oc3ccccc3-4)[N+]2=C1C=Cc1ccc(OC)cc1,Cc1ccccc1,703.0
CCC1=C(C)C2=Cc3c4ccccc4c4n3[B-](c3ccncc3)(Oc3ccccc3-4)[N+]2=C1C=Cc1ccc(OC)cc1,ClCCl,699.0
CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)[C@@H](CCC(=O)OC)[C@@H]4C)c(C)c3/C=C/[N+](=O)[O-],ClCCl,702.0
CCC1=C(C2=C(C3=C(CC)S(=O)(=O)c4cc(-c5ccccc5)ccc43)C(F)(F)C(F)(F)C2(F)F)c2ccc(-c3ccccc3)cc2S1(=O)=O,C1COCCO1,336.0
CCC1=[N+]2C(=C3c4cc(I)c(CC)n4[B-](C#CC(O)CO)(C#CC(O)CO)[n+]4c3n(c3ccccc34)[B-]2(C#CC(O)CO)C#CC(O)CO)C=C1I,ClCCl,592.0
CCC1=[N+]2C(=C3c4ccc(CC)n4[B-](F)(F)[n+]4c3n(c3ccccc34)[B-]2(F)F)C=C1,ClCCl,598.0
CCCC(=O)c1c(OCOC)c(OCOC)c(C(=O)CCC)c2c1OCO2,CC#N,332.0
CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)OC)O3)OCO2,CC#N,423.0
CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)OC)O3)OCO2,CCCCCC,413.0
CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)OC)O3)OCO2,CCO,428.0
CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)OC)O3)OCO2,CO,428.0
CCCC(=O)c1c2c(c(C(=O)CCC)c3c1OC(CC(=O)OC)(C(=O)OC)O3)OCO2,ClCCl,425.0
CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(OC(=O)CCCC(=O)OC(C)(C)C)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,645.0
CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(c(OCc3ccc(C(=O)O)cc3)cc3[nH]c2cc3CCC)C(CCC)=C1,Cc1ccccc1,677.0
CCCC1=Cc2nc1ccc1[nH]c(cc1CCO)c1nc(ccc3[nH]c2cc3CCC)C(CCO)=C1,Cc1ccccc1,638.0
CCCCC(CC)CN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Cl)cc5c6c(cc(Cl)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O,Cc1ccccc1,560.0
CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccccc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,C1CCCCC1,453.0
CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccccc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,C1CCOC1,451.0
CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccccc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,CC#N,456.0
CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccccc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,Cc1ccccc1,452.0
CCCCC(CC)CN1C(=O)c2cccc3c(C#Cc4ccc(N(c5ccccc5)c5ccc(C#Cc6ccc7c8c(cccc68)C(=O)N(CC(CC)CCCC)C7=O)cc5)cc4)ccc(c23)C1=O,ClC(Cl)Cl,466.0
CCCCC(CC)CN1c2ccc(-c3ccc4c(c3)c3nc5ccccc5nc3n4CC(CC)CCCC)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc21,ClCCl,456.0
CCCCC(CC)CN1c2ccc(/C=C\C3=C/C(=C4\C(=O)c5ccccc5C4=C(C#N)C#N)C=C(/C=C/c4ccc5c(c4)Sc4cc(/C=C\C(=O)O)ccc4N5CC(CC)CCCC)O3)cc2Sc2cc(/C=C/C(=O)O)ccc21,CN(C)C=O,581.0
CCCCC(CC)CN1c2ccccc2Oc2cc(-c3ccc(/C=C/c4cc(/C=C(\C#N)C(=O)O)sc4-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)s3)ccc21,ClC(Cl)Cl,439.0
CCCCC(CC)COC(=O)/C=C/c1ccccc1OC,CCCCCC,312.0
CCCCC(CC)COC(=O)/C=C/c1ccccc1OC,CO,320.0
CCCCC(CC)COC(=O)/C=C\c1c(OC)ccc(OC)c1OC,CCCCCC,308.0
CCCCC(CC)COC(=O)/C=C\c1c(OC)ccc(OC)c1OC,CO,313.0
CCCCC(CC)COc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCC(CC)CCCC)cc4OCC(CC)CCCC)cc3)c3ccc(-c4sc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)cc6)c6nc(-c7ccccc7)c(-c7ccccc7)nc56)c5c4OCCO5)cc3)cc2)c(OCC(CC)CCCC)c1,ClCCl,515.0
CCCCC(CC)C[Ge]1(CC(CC)CCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2-c2sc(-c3cnc(-c4ccc(-c5ccncc5)s4)c4nsnc34)cc21,C1CCOC1,589.0
CCCCC(CC)C[Ge]1(CC(CC)CCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2-c2sc(-c3cnc(-c4ccc(/C=C(/C#N)C(=O)O)s4)c4nsnc34)cc21,C1CCOC1,609.0
CCCCC(CC)Cc1cc(-c2sc(-c3sc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3NC3=C(N4)c4cccc5cccc3c45)cc2CC(CC)CCCC)sc1/C=C(\C#N)C(=O)O,Cc1ccccc1,612.0
CCCCC(CC)Cn1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2c2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc21,ClCCl,428.0
CCCCC(CC)Cn1c2cc(/C=C(\C#N)C(=O)O)sc2c2sc3c4cc(/C=C(/C#N)C(=O)O)sc4n(CC(CC)CCCC)c3c21,C1CCOC1,555.0
CCCCC(CC)Cn1c2ccccc2c2cc(-c3cc4c(cc3F)-c3cc(F)c(-c5ccc6c(c5)c5ccccc5n6CC(CC)CCCC)cc3S4(=O)=O)ccc21,Cc1ccccc1,377.0
CCCCC(CC)Cn1c2ccccc2c2cc(-c3cc4c(cc3F)-c3cc(F)c(-c5ccc6c(c5)c5ccccc5n6CC(CC)CCCC)cc3S4(=O)=O)ccc21,ClC(Cl)Cl,387.0
CCCCC1(CCCC)c2cc(/C=C(\C#N)C(=O)O)ccc2-c2ccc(N(c3ccc(OC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)c3ccc4c(c3)C(CCCC)(CCCC)c3cc(/C=C(\C#N)C(=O)O)ccc3-4)cc21,ClCCCl,482.0
CCCCC1(CCCC)c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2cc3c(cc21)-c1ccc(/C=C/c2ccc(N(c4ccccc4)c4ccccc4)cc2)cc1C3(CCCC)CCCC,Cc1ccccc1,413.0
CCCCC1(CCCC)c2ccccc2-c2ccc(-c3cc(/C=C(\C#N)C(=O)O)c(-c4cc5cc6c7c(c5oc4=O)C(C)(C)CCN7CCC6(C)C)s3)cc21,ClC(Cl)Cl,478.0
CCCCCC1=C2C(C)=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C(C)=[N+]2[B-](F)(F)n2c(C)c(/C=C(/C#N)C(=O)O)c(C)c21,ClC(Cl)Cl,552.0
CCCCCC1c2c(C)c(C)cn2[B-](F)(F)[N+]2=C(C)C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)=C(C)C12,ClC(Cl)Cl,534.0
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,CCCCCC,355.6
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,CCCCCCCCCCCCCC,356.2
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,CCCCCCCCCCCO,365.8
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,CCCCO,367.8
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,CN(C)C=O,367.8
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,Cc1ccccc1,364.6
CCCCCCC(CCCCCC)N1C(=O)c2cccc3c(-c4ccc(C#N)cc4)ccc(c23)C1=O,ClC(Cl)Cl,366.4
CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,C1CCCCC1,335.0
CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,CC#N,336.0
CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,CC(C)=O,336.0
CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,CCCCCC,334.0
CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,CCO,336.0
CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,CCOCC,335.0
CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,CS(C)=O,339.0
CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,Cc1ccccc1,339.0
CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,ClC(Cl)(Cl)Cl,338.0
CCCCCCC(CCCCCC)n1c(=O)c2c3ccc4cccc5c6cccc7ccc(c2c1=O)c(c76)c3c45,ClC(Cl)Cl,339.0
CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(-n8c9ccccc9c9ccccc98)ccc6-7)s5)c5nsnc45)s3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21,ClCCl,513.0
CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc21,C1CCOC1,484.0
CCCCCCC1(CCCCCC)c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-1,ClCCl,420.0
CCCCCCC1(CCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-1,ClC(Cl)Cl,438.0
CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cc4c(cc3F)-c3cc(F)c(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)cc3S4(=O)=O)cc21,Cc1ccccc1,360.0
CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cc4c(cc3F)-c3cc(F)c(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)cc3S4(=O)=O)cc21,ClC(Cl)Cl,362.0
CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc21,ClCCl,327.0
CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3S4(=O)=O)cc21,Cc1ccccc1,320.0
CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3S4(=O)=O)cc21,ClC(Cl)Cl,326.0
CCCCCCC1CC(C)(CCCCCC)N(C)c2ccc(/C=C/C3=C/C(=C(\C#N)C(=O)O)CC(C)(C)C3)cc21,ClCCl,518.0
CCCCCCCCC(=O)Oc1cc2[nH]c(cc2CCOC)c2nc(ccc3[nH]c(cc3CCOC)c3nc1C(CCOC)=C3)C(CCOC)=C2,Cc1ccccc1,647.0
CCCCCCCCC(CCCCCC)Cn1c2c3ccc(-c4ccc5c(c4)Sc4ccccc4N5CC(CC)CCCC)cc3sc2c2sc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc3c21,C1CCOC1,468.0
CCCCCCCCC(CCCCCC)Cn1c2c3ccc(-c4sc(/C=C(\C#N)C(=O)O)cc4CCCCCC)cc3sc2c2sc3cc(-c4sc(/C=C(\C#N)C(=O)O)cc4CCCCCC)ccc3c21,C1CCOC1,450.0
CCCCCCCCC(CCCCCCCC)n1c2cc(/C=C(/C#N)C(=O)O)sc2c2sc3c(sc4c5sc(/C=C(\C#N)C(=O)O)cc5n(C(CCCCCCCC)CCCCCCCC)c43)c21,C1CCOC1,556.0
CCCCCCCCC(CCCCCCCC)n1c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc2c2cc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)ccc21,C1CCOC1,484.0
CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(C(=O)O)cc3)sc2-c2cc(-c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)c4nonc34)sc21,ClCCl,560.0
CCCCCCCCCCC1(CCCCCCCC)C(C=C2C([O-])=C(C=C3N(C)c4ccc(C(=O)O)cc4C3(C)C)C2=C(C#N)C(=O)OCCCCCCCC)=[N+](CCCCCC)c2ccccc21,ClCCl,697.0
CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cc(/C=C/C(=O)OCCCCCCCCCCCCCCCCCC)cn3[B-](F)(F)[N+]2=C1,ClCCl,578.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,Brc1ccccc1,437.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,C1CCCCC1,436.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,C1CCOC1,418.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,C1COCCO1,420.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,CCCCCC,430.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,CCCCCCCCO,423.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,CCCCOCCCC,414.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,CCOC(C)=O,414.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,CCOCC,422.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,Cc1ccccc1,429.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,ClC(Cl)(Cl)Cl,436.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,ClC(Cl)Cl,436.0
CCCCCCCCCCCCCCCCOc1cc(C#Cc2ccc3ccccc3c2)c(OCCCCCCCCCCCCCCCC)cc1C#Cc1ccc(C=C(C#N)C#N)cc1,ClCCl,429.0
CCCCCCCCCCCCCCCc1c(C=C(C#N)C(=O)O)sc2c1sc1c3sc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)c(CCCCCCCCCCCCCCC)c3sc21,Clc1ccccc1Cl,482.0
CCCCCCCCCCCCN1/C(=C/C2C(=O)/C(=C\c3cc(C(C)(C)C)[s+]c(C(C)(C)C)c3)C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,ClC(Cl)Cl,745.0
CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccc(Cl)cc5)c(OC)cc4c3c3c2ccc2cc(-c4ccc(Cl)cc4)c(OC)cc23)C1=O,ClCCl,430.0
CCCCCCCCCCCCN1C(=O)c2c(c3ccc4cc(-c5ccccc5)c(OC)cc4c3c3c2ccc2cc(-c4ccccc4)c(OC)cc23)C1=O,ClCCl,432.0
CCCCCCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc(C#N)cc5)cc5c6c(ccc(c7c(-c8ccc(C#N)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCC)C5=O,ClC(Cl)Cl,545.774647887324
CCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)OC5=O,CN1CCCC1=O,509.0
CCCCCCCCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(OCCCCCC)cc3)ccc21,ClCCl,458.0
CCCCCCCCCCCCN1c2ccccc2Oc2cc(/C=C/c3ccc(/C=c4\s/c(=C5/SC(=S)N(CCCCCCCC)C5=O)n(CC(=O)O)c4=O)s3)ccc21,CCO,568.0
CCCCCCCCCCCCN1c2ccccc2Oc2cc(/C=C/c3ccc(/C=c4\s/c(=C5/SC(=S)N(CCCCCCCC)C5=O)n(CC(=O)O)c4=O)s3)ccc21,ClCCl,568.0
CCCCCCCCCCCCOc1cc(C(=O)Nc2ccc(-c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC,C1CCOC1,432.0
CCCCCCCCCCCCOc1cc(OCCCCCCCCCCCC)cc(C2=c3ccc4n3[Zn]n3c(ccc3C(c3ccccc3OCCCCCCCCCCCC)=C3C=CC(=N3)C=4C#Cc3ccc(C(=O)O)cc3)C(C#Cc3c(OCCCCCC)cc(-n4c5ccccc5c5ccccc54)cc3OCCCCCC)=C3C=CC2=N3)c1,C1CCOC1,457.0
CCCCCCCCCCCCOc1cc2c3c(ccc4c5c(OC6CCC(C(C)(C)C)CC6)cc6c7c(ccc(c1c34)c75)C(=O)N(C1CCCCC1)C6=O)C(=O)N(C1CCCCC1)C2=O,ClC(Cl)Cl,558.0
CCCCCCCCCCCCOc1cc2c3cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc3c3c(cc(OCCCCCCCCCCCC)c4nc5cc(C#Cc6ccc(OCCCCCCCC)cc6)c(C#Cc6ccc(OCCCCCCCC)cc6)cc5nc43)c2cc1OCCCCCCCCCCCC,ClC(Cl)Cl,486.0
CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1-c1c2nc(c(C#Cc3ccc(N(C)C)cc3)c3ccc([nH]3)c(-c3c(OCCCCCCCCCCCC)cccc3OCCCCCCCCCCCC)c3nc(c(C#Cc4ccc(C(=O)O)cc4)c4ccc1[nH]4)C=C3)C=C2,C1CCOC1,703.0
CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc3ccc4cccc5ccc2c3c45)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1c2ccccc2c(C#Cc2ccc(C(=O)O)cc2)c2ccccc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCCCCCC)cccc1OCCCCCCCCCCCC,C1CCOC1,699.0
CCCCCCCCCCCCOc1ccccc1/C1=C2\C=CC(=N2)/C(c2ccccc2OCCCCCCCCCCCC)=c2/cc/c3n2[Zn]n2c1ccc2/C(c1ccccc1OCCCCCCCCCCCC)=C1\N=C(C=C1C#Cc1ccc(/C=C(\C#N)C(=O)O)cc1)/C=3c1ccccc1OCCCCCCCCCCCC,C1CCOC1,604.0
CCCCCCCCCCCCc1cc(-c2ccc(N3c4ccccc4C4C5CCC(C5)C43)cc2)sc1-c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)s1,ClCCl,526.0
CCCCCCCCCCCCc1cc(-c2ccc(N3c4ccccc4C4C5CCC(C5)C43)cc2)sc1-c1sc(/C=C(\C#N)C(=O)O)c2c1OCCO2,CN(C)C=O,520.0
CCCCCCCCCCCCc1ccc(-c2cc(C)[o+]c(C)c2)cc1,CC#N,350.0
CCCCCCCCCCCCc1ccc(-c2cc(C)[o+]c(C)c2)cc1,ClCCl,370.0
CCCCCCCCCCCCn1c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)cc2c2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21,ClCCl,443.0
CCCCCCCCCCCCn1c2ccccc2c2cc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4nc3-c3ccc4c(c3)c3ccccc3n4CCCCCCCCCCCC)ccc21,ClCCl,445.0
CCCCCCCCCCN1c2ccccc2Oc2cc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)o5)cc4s3)ccc21,CN(C)C=O,439.0
CCCCCCCCCCN1c2ccccc2Oc2cc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4s3)ccc21,CN(C)C=O,437.0
CCCCCCCCCCN1c2ccccc2Sc2cc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)o5)cc4s3)ccc21,CN(C)C=O,413.0
CCCCCCCCCC[C@@]1(CCCCCCCC)C(/C=C2/C(=O)C(/C=C3/N(C)c4ccc5cc(C(=O)O)ccc5c4C3(C)C)=C2[O-])=[N+](CCCCCC)c2cc3c(cc21)-c1ccccc1C3(CCCCCCCC)CCCCCCCC,ClCCl,681.0
CCCCCCCCN(CCCCCCCC)c1ccc(C#Cc2c3ccccc3c(C#Cc3ccc(C(=O)O)c(F)c3)c3ccccc23)cc1,C1CCOC1,500.0
CCCCCCCCN1C(=CC2=C([O-])C(=CC3=[N+](CCCCCCCC)c4ccc(C(=O)O)cc4C3(C)C)C2=O)C(C)(C)c2ccccc21,CCO,646.0
CCCCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCCCCC)c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)cc21,ClCCl,537.0
CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)C3CCCC3N4c3ccccc3OC)c(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,543.0
CCCCCCCCN1C(=O)C(=c2sc(=Cc3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)O)SC1=S,ClC(Cl)Cl,552.0
CCCCCCCCN1C(=O)C2=C(c3ccc(-c4sc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)c5c4OCCO5)cc3)N(CCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)cc2)cc1,C1CCOC1,520.0
CCCCCCCCN1C(=O)C2=C(c3ccc(-c4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5c4OCCO5)s3)N(CCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc(/C=C(/C#N)C(=O)O)s2)s1,ClCCl,724.0
CCCCCCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)OC5=O,ClCCl,578.0
CCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc5c6c(cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCC)C5=O,ClC(Cl)Cl,567.0
CCCCCCCCN1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2Sc2cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc21,ClCCl,450.0
CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,C1CCOC1,381.9964621
CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,CC#N,385.9961749
CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,CCCCCC,372.0016835
CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,CO,366.0005975
CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,CS(C)=O,396.0001056
CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,Cc1ccccc1,381.0098682
CCCCCCCCN1c2ccc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Sc2cc(C=O)ccc21,ClC(Cl)Cl,386.0021466
CCCCCCCCN1c2ccccc2Sc2cc(-c3ccc(-c4ccc5c(c4)Sc4ccccc4N5CCCCCCCC)c4nc5c6cccnc6c6ncccc6c5nc34)ccc21,ClCCl,493.0
CCCCCCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)cc3F)ccc21,ClCCl,423.0
CCCCCCCCOc1c(OCCCCCCCC)c(-c2ccc(/C=C(\C#N)C(=O)O)s2)c2nc3c4ccccc4c4ccccc4c3nc2c1-c1ccc2c(c1)C1CCCC1N2c1ccc(C)cc1,ClCCl,524.0
CCCCCCCCOc1cc(/C=C/c2cc(OCCCCCCCC)c(/C=C/c3cc(OCCCCCCCC)c(Br)cc3OCCCCCCCC)cc2OCCCCCCCC)c(OCCCCCCCC)cc1Br,ClCCl,410.0
CCCCCCCCOc1cc(C)cc(OCCCCCCCC)c1-n1c2cc(C#Cc3ccc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)cc3)c3cccc4c5cccc6c(C#Cc7cc8c(s7)-c7sc(C=C(C#N)C(=O)O)cc7C8(CCCCCC)CCCCCC)cc1c(c65)c2c34,ClCCl,525.0
CCCCCCCCOc1ccc(-c2c(-c3c(-c4ccc(OCCCCCCCC)cc4)n(CCCCCCCC)c4cc(-c5ccc(C=C(C#N)C(=O)O)s5)ccc34)c3cc(-c4ccc(C=C(C#N)C(=O)O)s4)ccc3n2CCCCCCCC)cc1,C1CCOC1,459.0
CCCCCCCCOc1ccc(-c2c3c4n(c(-c5ccc(OCCCCCCCC)cc5)c3c3n2[B-](F)(F)[n+]2c(ccc5cc(C(C)(C)C)ccc52)C=3C#N)[B-](F)(F)[n+]2c(ccc3cc(C(C)(C)C)ccc32)C=4C#N)cc1,ClC(Cl)Cl,754.0
CCCCCCCCOc1ccc(-c2ccc(-n3c4ccc(-c5ccc(OCCCCCCCC)cc5)cc4c4cc(-c5ccc(-c6ccc(C(=O)O)cc6)c6nsnc56)ccc43)cc2)cc1,ClC(Cl)Cl,433.0
CCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc4c5cc6c(cc5n(CCCCCCCC)c4cc3-c3sccc32)-c2sc(-c3ccc(-c4ccc(C(=O)O)cc4)c4nsnc34)cc2C6(c2ccc(OCCCCCCCC)cc2)c2ccc(OCCCCCCCC)cc2)cc1,ClC(Cl)Cl,516.0
CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3cc4sc5c6sc7cc(/C=C(\C#N)C(=O)O)sc7c6c6cc(OCC(CC)CCCC)c(OCC(CC)CCCC)cc6c5c4s3)cc2)cc1,C1CCOC1,498.0
CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(-c3ccc(-c4sc(/C=C5\SC(=S)N(C(=O)O)C5=O)c5c4OCCO5)c4nccnc34)cc2)cc1,Cc1ccccc1,537.0
CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc3c(c2)-c2cc(N(c4ccc(OCCCCCCCC)cc4)c4ccc(OCCCCCCCC)cc4)ccc2C3=Cc2ccc(-c3sc(C=C(C#N)C(=O)O)cc3CCCCCC)s2)cc1,ClCCl,428.0
CCCCCCCCOc1ccc2c(c1)c(-c1ccc(C=C(C#N)C#N)cc1)nn2-c1ccccc1,C1CCOC1,412.0
CCCCCCCCOc1ccc2c(c1)c(-c1ccc(C=C(C#N)C#N)cc1)nn2-c1ccccc1,CC(C)=O,406.0
CCCCCCCCOc1ccc2c(c1)c(-c1ccc(C=C(C#N)C#N)cc1)nn2-c1ccccc1,CC1CCCCC1,431.0
CCCCCCCCOc1ccc2c(c1)c(-c1ccc(C=C(C#N)C#N)cc1)nn2-c1ccccc1,Cc1ccccc1,415.0
CCCCCCCCOc1ccc2c(c1)c(-c1ccc(C=C(C#N)C#N)cc1)nn2-c1ccccc1,ClC(Cl)Cl,423.0
CCCCCCCCOc1ccc2c(c1)c(-c1ccc(C=C(C#N)C#N)cc1)nn2-c1ccccc1,ClCCl,419.0
CCCCCCCCOc1cccc(OCCCCCCCC)c1-c1ccc(-n2c3cc(C=C(C#N)C(=O)O)sc3c3sc(-c4ccc(N(c5ccc(OCCCCCC)cc5)c5ccc(OCCCCCC)cc5)cc4)cc32)cc1,C1CCOC1,511.0
CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(N(CCCC)CCCC)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,671.0
CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc(C(=O)O)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(N(c2ccc(CCCCCC)cc2)c2ccc(CCCCCC)cc2)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,665.0
CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(C#Cc2ccc3cc(-c4ccc(OCCCCCC)cc4OCCCCCC)c4ccc5c(-c6ccc(OCCCCCC)cc6OCCCCCC)cc2c3n45)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,693.0
CCCCCCCCOc1cccc(OCCCCCCCC)c1/C1=C2\C=CC(=N2)/C(c2ccc(N(c3ccc(OCCCCCC)cc3)c3ccc(OCCCCCC)cc3)cc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(C#Cc1cnc(-c2ccc(C(=O)O)cc2)c2nn(CCCCCC)nc12)=C1/C=CC(=N1)/C=3c1c(OCCCCCCCC)cccc1OCCCCCCCC,C1CCOC1,450.0
CCCCCCCC[N+]1=C(/C=C2/C(=O)C(/C=C3/N(CC)c4cc5ccccc5cc4C3(C)C)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CN(C)C=O,662.0
CCCCCCCC[N+]1=C(C=C2C(=O)C(/C=C3/N(CC)c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4C3(C)C)=C2[O-])C(C)(C)c2cc(C(=O)O)ccc21,CCO,652.0
CCCCCCCC[Si](C)(C)c1cccc2ccccc12,C1CCCCC1,294.0
CCCCCCCC[Si]1(CCCCCCCC)c2cc(/C=C(\C#N)C(=O)O)sc2-c2sc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)cc21,ClCCl,506.0
CCCCCCCCn1c(-c2ccc(C3=C(C)C4=C(CCCCC)c5c(C)c(C=C(C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)cc2)nc2c3ccc(OC)cc3c3cc(OC)ccc3c21,ClC(Cl)Cl,532.0
CCCCCCCCn1c(-c2ccc(C3=C(C)C4=C(CCCCC)c5c(C)c(C=C(C#N)C(=O)O)c(C)n5[B-](F)(F)[N+]4=C3C)s2)nc2c3ccccc3c3ccccc3c21,ClC(Cl)Cl,532.0
CCCCCCCCn1c(=C(C#N)C#N)s/c(=c2/c(=Cc3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)sc(=O)n2CC(=O)O)c1=O,ClC(Cl)Cl,566.0
CCCCCCCCn1c(=O)c2cc3cc4cc5c(=O)n(CCCCCCCC)c(=O)c5cc4cc3cc2c1=O,ClC(Cl)Cl,421.0
CCCCCCCCn1c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2c2cc3c(cc21)c1ccc(/C=C/c2ccc(N(c4ccccc4)c4ccccc4)cc2)cc1n3CCCCCCCC,Cc1ccccc1,416.0
CCCCCCCCn1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,453.0
CCCCCCCCn1c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc3c(cc21)c1cc(/C=C/c2ccc(N(c4ccccc4)c4ccccc4)cc2)ccc1n3CCCCCCCC,Cc1ccccc1,389.0
CCCCCCCCn1c2ccc(C=C(C#N)C(=O)O)cc2c2cc(-c3ccc(C(C)(C)C)cc3)ccc21,ClC(Cl)Cl,416.0
CCCCCCCCn1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2c2cc(-c3c(C)cc(C)cc3C)ccc21,ClC(Cl)Cl,453.0
CCCCCCCCn1c2ccccc2c2ccc3cc(-c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)s4)sc3c21,ClC(Cl)Cl,486.0
CCCCCCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c2n1,ClCCl,629.0
CCCCCCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc(-c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(CC)CC)s3)c2n1,C1CCOC1,465.0
CCCCCCCCn1nc2c(-c3ccc(C(=O)O)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(-c4cccc5c4C4C6CCC(C6)C4N5c4ccccc4)s3)c2n1,ClCCl,617.0
CCCCCCCn1c2ccc(/C=C(\C#N)C(=O)O)cc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21,ClCCl,423.0
CCCCCCN(CCCCCC)c1ccc(N(c2ccc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4CCCCCC)cc2)c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2c4c(c5c(c2-3)C(CCCCCC)(CCCCCC)c2ccccc2-5)C(CCCCCC)(CCCCCC)c2ccccc2-4)cc1,ClCCl,535.0
CCCCCCN1C(=O)c2cccc3c(-c4ccc(-c5cc(-c6ccc(Cl)cc6)nn5-c5ccccc5)s4)ccc(c23)C1=O,ClCCl,389.0
CCCCCCN1C(=O)c2cccc3c(-c4ccc(-c5cc(-c6cccc7ccccc67)nn5-c5ccccc5)s4)ccc(c23)C1=O,ClCCl,389.0
CCCCCCN1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O,CN(C)C=O,353.0
CCCCCCN1C(=O)c2cccc3c(-c4sc(-c5ccc6c7c(cccc57)C(=O)N(CCCCCC)C6=O)c5c4OCCO5)ccc(c23)C1=O,ClC(Cl)Cl,416.0
CCCCCCN1C(=O)c2cccc3cc(/N=C\c4ccc5c(c4)c4ccccc4n5CC)cc(c23)C1=O,ClC(Cl)Cl,340.0
CCCCCCN1C2CC(/C=C(\C#N)C(=O)O)SC2C2C3NN(CC(CC)CCCC)NC3C3C4SC(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CC4N(CCCCCC)C3C21,C1CCOC1,480.0
CCCCCCN1c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2Sc2cc(N(c3ccccc3)c3ccccc3)ccc21,C1CCOC1,446.0
CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2cc(-c3cccc(OC)c3OC)ccc21,C1CCOC1,443.0
CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2cc(-c3ccccc3OC)ccc21,C1CCOC1,459.0
CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21,C1CCOC1,451.0
CCCCCCN1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2Sc2ccc(-c3ccccc3)cc21,C1CCOC1,433.0
CCCCCCN1c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2Sc2cc(-c3scc4c3OCCO4)ccc21,ClCCl,480.0
CCCCCCN1c2ccc(-c3ccc(OC)cc3)cc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)o3)ccc21,ClCCl,473.0
CCCCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)s3)ccc21,C1CCOC1,442.0
CCCCCCN1c2ccc(/C=C3/SC(=S)C(CC(=O)O)C3=O)cc2Sc2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc21,ClCCl,486.0
CCCCCCN1c2ccc(C#Cc3ccc4c(c3)C(CCCC)(CCCC)c3cc(C#Cc5ccc6c(c5)Sc5cc(/C=C(/C#N)C(=O)O)ccc5N6CCCCCC)ccc3-4)cc2Sc2cc(/C=C(/C#N)C(=O)O)ccc21,C1CCOC1,449.0
CCCCCCN1c2ccccc2Sc2cc(-c3cc(-c4sc(/C=C(/C#N)C(=O)O)cc4-c4ccc5c(c4)Sc4ccccc4N5CCCCCC)sc3-c3ccc4c(c3)Sc3ccccc3N4CCCCCC)ccc21,ClCCl,487.0
CCCCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)cc3)ccc21,C1CCOC1,396.0
CCCCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,C1CCOC1,435.0
CCCCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,CN(C)C=O,416.0
CCCCCCN1c2ccccc2Sc2cc(-c3ccc(N(c4ccc(-c5cc6c(s5)-c5sc(/C=C(\C#N)C(=O)O)cc5C6(CCCCCC)CCCCCC)cc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4c6c(c7c(c4-5)C(CCCCCC)(CCCCCC)c4ccccc4-7)C(CCCCCC)(CCCCCC)c4ccccc4-6)cc3)ccc21,ClCCl,546.0
CCCCCCN1c2ccccc2Sc2cc(/C=C\c3cc(-c4ccc(/C=C(/C#N)C(=O)O)s4)c(-c4ccc(C=C(C#N)C(=O)O)s4)cc3/C=C/c3ccc4c(c3)Sc3ccccc3N4CCCCCC)ccc21,CCO,395.0
CCCCCCN1c2ccccc2Sc2cc(C=C(C#N)C(=O)O)ccc21,ClCCl,454.0
CCCCCCOC(=O)/C=C/C1=CC2=C(c3c(C)cc(C)cc3C)c3cc(/C=C/C(=O)OCCCCCC)cn3[B-](F)(F)[N+]2=C1,ClCCl,579.0
CCCCCCOc1c(OC)cc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc5cccc6ccc7cccc3c7c65)=C3/C=CC2=N3)/C(c2cc(OC)c(COCCCCC)c(OC)c2)=C2/C=CC(=N2)/C=4C#Cc2ccc(C=C(C(=O)O)C(=O)O)s2)cc1OC,ClCCl,654.0
CCCCCCOc1c(OC)cc(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3ccc5c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-5)=C3/C=CC2=N3)/C(c2cc(OC)c(COCCCCC)c(OC)c2)=C2/C=CC(=N2)/C=4C#Cc2ccc(C=C(C(=O)O)C(=O)O)s2)cc1OC,ClCCl,632.0
CCCCCCOc1c(OCCCCCC)c(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)c2nsnc2c1-c1ccc(/C=C(\C#N)C(=O)O)s1,C1CCOC1,501.0
CCCCCCOc1c2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)oc2c(OCCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)oc12,C1CCOC1,485.0
CCCCCCOc1c2ccc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3N4CCCCCC)cc2c(OCCCCCC)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc12,C1CCOC1,504.0
CCCCCCOc1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c(OCCCCCC)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc12,C1CCOC1,477.0
CCCCCCOc1c2ccccc2c(OCCCCCC)c2cc(N(c3ccccc3)c3ccc4c(c3)Sc3cc(-c5ccc(/C=C(/C#N)C(=O)O)s5)ccc3N4CCCCCC)ccc12,C1CCOC1,448.0
CCCCCCOc1c2ccccc2c(OCCCCCC)c2cc(N(c3ccccc3)c3ccc4c(c3)Sc3cc(/C=C(/C#N)C(=O)O)ccc3N4CCCCCC)ccc12,C1CCOC1,422.0
CCCCCCOc1cc(-n2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)nn2)c(OCCCCCC)cc1C=C(C#N)C(=O)O,ClCCl,373.0
CCCCCCOc1cc(/C=C/c2cc(OCCCCCC)c(/C=C/c3cc(OCCCCCC)c(/C=C4\C(=O)c5ccccc5C4=C(C#N)C#N)cc3OCCCCCC)cc2OCCCCCC)c(OCCCCCC)cc1/C=C1\C(=O)c2ccccc2C1=C(C#N)C#N,ClCCl,611.0
CCCCCCOc1cc(OCCCCCC)cc(-c2ccc(C(=Cc3ccc(N4c5cc(-c6ccc(C7=C8C(=O)N(CC(CC)CCCC)C(c9ccc(-c%10ccc(C=C(C#N)C(=O)O)o%10)cc9)=C8C(=O)N7CC(CC)CCCC)s6)ccc5C5CCCC54)cc3)c3ccc(-c4cc(OCCCCCC)cc(OCCCCCC)c4)cc3)cc2)c1,C1CCOC1,602.0
CCCCCCOc1cc2[nH]c(cc2CCOC)c2nc(ccc3[nH]c(cc3CCOC)c3nc1C(CCOC)=C3)C(CCOC)=C2,Cc1ccccc1,684.0
CCCCCCOc1ccc(-c2cc3cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)cc4c3n2-c2ccccc2S4)cc1,ClCCl,418.0
CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4cc5c(s4)-c4sc(/C=C(\C#N)C(=O)O)cc4C5(CCCCCC)CCCCCC)cc3)c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)cc2)c(OCCCCCC)c1,ClCCl,542.0
CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4)cc3)c3ccc(-c4cc5c(s4)c4sc(C=C(C#N)C(=O)O)cc4n5CCCCCC)cc3)cc2)cc1,ClCCl,524.0
CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4)cc3)c3ccc(C4CC5C(S4)C4C6NN(CCCCCC)NC6C6C7SC(/C=C(\C#N)C(=O)O)CC7N(CCCCCC)C6C4N5CCCCCC)cc3)cc2)cc1,ClCCl,551.0
CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)c3ccc4c(c3)sc3cc(-c5ccc(-c6ccc(C=C(C#N)C(=O)O)cc6)c6nsnc56)sc34)cc2)c(OCCCCCC)c1,C1CCOC1,515.0
CCCCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(OCCCCCC)cc4OCCCCCC)cc3)c3ccc4c5sc(-c6ccc(-c7ccc(C=C(C#N)C(=O)O)cc7)c7nsnc67)cc5n(CC)c4c3)cc2)c(OCCCCCC)c1,C1CCOC1,531.0
CCCCCCOc1ccc(-c2nc3c(-c4ccc(N(c5ccc(OCCCCCC)cc5OCCCCCC)c5ccc(OCCCCCC)cc5OCCCCCC)cc4)ccc(-c4cc5c(s4)C(CCCCCC)(CCCCCC)c4cc(/C=C(\C#N)C(=O)O)sc4-5)c3nc2-c2ccc(OCCCCCC)cc2)cc1,ClCCl,545.0
CCCCCCOc1ccc(-c2nc3c4cc(/C=C(\C#N)C(=O)O)sc4c4sc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c3nc2-c2ccc(OCCCCCC)cc2)cc1,C1CCOC1,471.0
CCCCCCOc1ccc(-n2c3cc(/C=C(\C#N)C(=O)O)sc3c3sc(-c4cc5c(s4)c4sc(CCCCCC)cc4n5-c4ccc(OCCCCCC)cc4)cc32)cc1,ClCCl,513.0
CCCCCCOc1ccc(-n2c3ccsc3c3sc(-c4ccc5c(c4)Sc4cc(/C=C(\C#N)C(=O)O)ccc4N5CCCCCC)cc32)c(OCCCCCC)c1,ClCCl,483.0
CCCCCCOc1ccc(C(c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)cc2)c2ccc3c(c2)Sc2cc(N(c4ccc(OCCCCCC)cc4)c4ccc(-c5ccc(-c6ccc(/C=C(/C#N)C(=O)O)s6)s5)cc4)ccc2N3CCCCCC)cc1,C1CCOC1,490.0
CCCCCCOc1ccc(C2=C(c3cc(OC)cc(OC)c3)C(c3ccc(OC)cc3)=[N+]3C2=Nc2c(-c4ccc(OCCCCCC)cc4)c(-c4cc(OC)cc(OC)c4)c(-c4ccc(OC)cc4)n2[B-]3(F)F)cc1,Cc1ccccc1,683.0
CCCCCCOc1ccc(C2=C(c3ccc(C(C)(C)C)cc3)C(c3ccc(OC)cc3)=[N+]3C2=Nc2c(-c4ccc(OCCCCCC)cc4)c(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(OC)cc4)n2[B-]3(F)F)cc1,Cc1ccccc1,684.0
CCCCCCOc1ccc(N(c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3c5c(c6c(c3-4)C(CCCCCC)(CCCCCC)c3ccccc3-6)C(CCCCCC)(CCCCCC)c3ccccc3-5)cc2)c2ccc(-c3cc4c(s3)c3sc(/C=C(\C#N)C(=O)O)cc3n4CCCCCC)cc2)cc1,ClCCl,530.0
CCCCCCOc1ccc(N(c2ccc(/C=C/c3cc4c(s3)c3sc(C=C(C#N)C(=O)O)cc3n4-c3ccc(OCCCCCC)cc3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,516.0
CCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\CC#N)C(=S)S)s3)cc2)c2ccc(OCCCCCC)cc2)cc1,CCO,550.0
CCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\CC#N)C(=S)S)s3)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,550.0
CCCCCCOc1ccc(N(c2ccc(C#Cc3c4ccccc4c(C#CC#Cc4ccc(C=C(C#N)C(=O)O)cc4)c4ccccc34)cc2)c2ccc(OCCCCCC)cc2)cc1,ClCCl,505.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2cc(OCCCCCC)c(C#Cc3c(CCCCCC)cc(C#Cc4ccc(C(=O)O)c(C#N)c4)c4nsnc34)cc2OCCCCCC)cc1,CCO,498.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3c4ccccc4c(C#Cc4ccc(C(=O)O)cc4)c4ccccc34)cc2)cc1,ClCCl,439.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc(-c4cc(-c5ccc(N(c6ccc(OCCCCCC)cc6)c6ccc(OCCCCCC)cc6)cc5)sc4-c4ccc(/C=C(/C#N)C(=O)O)s4)c(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)cc2)cc1,ClCCl,483.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)-c3sc(-c5ccc6cc(C=O)c(=O)[nH]c6c5)cc3C4(CCCCCC)CCCCCC)cc2)cc1,ClCCl,518.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc(/C=C(/C#N)C(=O)O)cc3n4CCCCCC)cc2)cc1,ClCCl,525.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c5nc(CCCCC)c(CCCCC)nc5c5cc(/C=C(\C#N)C(=O)O)sc5c4s3)cc2)cc1,ClC(Cl)Cl,521.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4sc(/C=C(\C#N)C(=O)O)cc4s3)cc2)cc1,C1CCOC1,451.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4sc(/C=C(\C#N)C(=O)O)cc4s3)cc2)cc1,ClC(Cl)Cl,516.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4cc5c(s4)/C(=C/c4ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s4)c4ccccc4-5)s3)cc2)cc1,C1CCOC1,530.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5cc(CCCCCC)c(C=C(C#N)C(=O)O)s5)c5nsnc45)s3)cc2)cc1,ClCCl,566.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(CCCCCC)c(CCCCCC)nc45)s3)cc2)cc1,ClCCl,524.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(C(=O)O)cc5)c5nsnc45)s3)cc2)cc1,ClCCl,511.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(CCC(=O)O)cc5)c5nsnc45)s3)cc2)cc1,ClCCl,486.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-c6ccc(C=C(C#N)C(=O)O)s6)ccc4-5)s3)cc2)cc1,Clc1ccccc1,465.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cnc(-c4ccc(/C=C(\C#N)C(=O)O)s4)c4nsnc34)cc2)cc1,ClCCl,585.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ncc(-c4sc(-c5ccc(/C=C(\C#N)C(=O)O)s5)cc4CCCCCC)c4nsnc34)cc2)cc1,ClCCl,554.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4cc(OCCCCC)c(/C=C(/C#N)C(=O)O)s4)cc3CCCCCC)cc2)cc1,ClC(Cl)Cl,495.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4ccc(-c5cc(CCCCCC)c(-c6ccc(C=C(C#N)C(=O)O)cc6)s5)c5nsnc45)cc3CCCCCC)cc2)cc1,ClCCl,530.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3=C4C(=O)N(C[C@@H](CC)CCCC)C(c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)s5)=C4C(=O)N3C[C@H](CC)CCCC)s2)cc1,C1CCOC1,640.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(C3SC4C(SC5C6SC(c7sc(/C=C(\C#N)C(=O)O)cc7CCCCCC)CC6N(c6ccc(OCCCCCC)cc6)C45)C3CCCCCC)cc2)cc1,ClCCl,511.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(N(c3ccc(-c4cc5c(s4)c4sc(/C=C(\C#N)C(=O)O)cc4n5CCCCCC)cc3)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3c5c(c6c(c3-4)C(CCCCCC)(CCCCCC)c3ccccc3-6)C(CCCCCC)(CCCCCC)c3ccccc3-5)cc2)cc1,CN(C)C=O,543.0
CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc3c(c2)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c4ncc(/C=C(\C#N)C(=O)O)cn4)sc2-3)cc1,C1CCOC1,521.0
CCCCCCOc1ccc(N2c3ccc(/C=C(\C#N)C(=O)O)cc3Oc3cc(-c4ccc(OCCCC)cc4OCCCC)ccc32)cc1,CCO,480.0
CCCCCCOc1ccc(N2c3ccc(/C=C(\C#N)C(=O)O)cc3Oc3cc(-c4ccc(OCCCC)cc4OCCCC)ccc32)cc1,ClCCl,500.0
CCCCCCOc1ccc(N2c3ccc(/C=C(\C#N)C(=O)O)cc3Sc3cc(-c4cc5c(s4)-c4sc(-c6ccc7ccc8cccc9ccc6c7c89)cc4-c4c6cccc4OCCCCCCCCOc4cccc(c4-5)OCCCCCCCCO6)ccc32)cc1,ClCCl,508.0
CCCCCCSC1=C(SCCCCCC)SC(=C(C(=C2SC(SCCCCCC)=C(SCCCCCC)S2)c2ccc(-c3ccc(-c4ccncc4)cc3)s2)c2ccc(-c3ccc(-c4ccncc4)cc3)s2)S1,C1CCOC1,419.0
CCCCCCSC1=C(SCCCCCC)SC(=C2Cc3cc4nc(C#Cc5ccc(C(=O)O)cc5)c(C#Cc5ccc(C(=O)O)cc5)nc4cc3C2)S1,C1CCOC1,526.0
CCCCCCSC1=C(SCCCCCC)SC(=Cc2ccc(-c3ccc(-c4ccncc4)cc3)s2)S1,C1CCOC1,417.0
CCCCCCSC1=C(SCCCCCC)SC(=c2c3ccccc3c(=C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)ccc23)S1,CN(C)C=O,445.0
CCCCCCSC1=C(SCCCCCC)SC(=c2c3ccccc3c(=C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(C#Cc4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nsnc45)ccc23)S1,CN(C)C=O,447.0
CCCCCCSC1=C(SCCCCCC)SC(C2c3ccccc3C(C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(-c4ccc(C=C(C#N)C(=O)O)cc4)ccc32)S1,CN(C)C=O,445.0
CCCCCCSC1=C(SCCCCCC)SC(C2c3ccccc3C(C3SC(SCCCCCC)=C(SCCCCCC)S3)c3cc(-c4ccc(C=C5SC(=S)N(CC(=O)O)C5=O)cc4)ccc32)S1,CN(C)C=O,385.0
CCCCCC[Si]1(CCCCCC)c2cc(C=C(C#N)C(=O)O)sc2-c2cc(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)sc21,C1CCOC1,486.0
CCCCCCc1c(-c2ccc(/C=C(\C#N)C(=O)O)s2)sc(-c2ccc(-c3cc4sc5ccsc5c4s3)s2)c1CCCCCC,C1CCOC1,429.0
CCCCCCc1c(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)sc(/C=C/c2sc(/C=C/c3sc(/C=C/c4sc(/C=C(\C#N)C(=O)O)c(CCCCCC)c4CCCCCC)c(CCCCCC)c3CCCCCC)c(CCCCCC)c2CCCCCC)c1CCCCCC,ClCCl,580.0
CCCCCCc1cc(-c2cc(CCCCCC)c(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)sc1-c1ccc2c(c1)Sc1ccccc1N2C,CC#N,436.0
CCCCCCc1cc(-c2cc3c4nn(C[C@@H](CC)CCCC)nc4c4cc(-c5cc6c(s5)c5ccccc5n6C[C@H](CC)CCCC)sc4c3s2)sc1/C=C(\C#N)C(=O)O,C1CCOC1,469.0
CCCCCCc1cc(-c2cc[n+]([O-])cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,ClCCl,387.0
CCCCCCc1cc(-c2ccc(-c3ccc4c(c3)Sc3ccccc3N4C[C@@H](CC)CCCC)c3nsnc23)sc1/C=C(\C#N)C(=O)O,ClC(Cl)Cl,420.0
CCCCCCc1cc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)sc1-c1cc(CCCCCC)c(-c2sc(C=C(C#N)C(=O)O)c3c2OCCO3)s1,ClC(Cl)Cl,512.0
CCCCCCc1cc(-c2ccc(N(c3ccc4c(c3)OCCO4)c3ccc4c(c3)OCCO4)cc2)sc1-c1ccc(/C=C(\C#N)C(=O)O)cc1,ClCCl,457.0
CCCCCCc1cc(-c2ccc(N3c4ccccc4C4C5CCC(C5)C43)cc2)sc1-c1ccc(/C=C(\C#N)C(=O)O)s1,ClCCl,506.0
CCCCCCc1cc(-c2ccc(O)c(C#N)c2)sc1-c1cc(C)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1,ClCCl,364.0
CCCCCCc1cc(-c2ccc3[n+](c2)[B-](F)(F)N2C=CC=CC2=C3C#N)sc1-c1ccc2c(c1)Sc1cc(/C=C(/C#N)C(=O)O)ccc1N2c1ccc(-c2ccc3[n+](c2)[B-](F)(F)N2C=CC=CC2=C3C#N)cc1,C1CCOC1,460.0
CCCCCCc1cc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)C(C)(C)c2ccccc2-3)sc1/C=C1\C(=O)c2ccc(C(=O)O)cc2C1=O,ClC(Cl)Cl,611.0
CCCCCCc1cc(-c2sc(-c3ccc4c5cc(C(C)(C)C)cc6c7cc(C(C)(C)C)ccc7n(c4c3)c65)cc2CCCCCC)sc1/C=C(\C#N)C(=O)O,C1CCOC1,464.0
CCCCCCc1cc(-c2sc(-c3ccc4c[n+](CCC(=O)O)ccc4c3)cc2CCCCCC)sc1-c1ccc(N(c2ccc(OCCCC)cc2)c2ccc(OCCCC)cc2)cc1,ClCCl,481.0
CCCCCCc1cc(-c2sc(-c3sc(-c4cc(CCCCCC)c(-c5cc(CCCCCC)c(-c6ccc(N(c7ccc(C(=O)O)cc7)c7ccc(C(=O)O)cc7)cc6)s5)s4)c(CCCCCC)c3CCCCCC)cc2CCCCCC)sc1C=C(C#N)C#N,ClCCl,500.0
CCCCCCc1cc(-c2sc(-c3sc(/C=C(/C#N)C(=O)O)cc3CCCCCC)cc2CCCCCC)sc1-c1ccc2c(c1)c1ccccc1n2CC,ClC(Cl)Cl,463.0
CCCCCCc1cc(-n2c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)sc1-c1cc(CCCCCC)c(-c2sc(C=C(C#N)C(=O)O)c3c2OCCO3)s1,ClC(Cl)Cl,490.0
CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,C1CCOC1,426.0
CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,C1COCCO1,450.0
CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,CC#N,425.0
CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,CC(C)=O,425.0
CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,CN(C)C=O,425.0
CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,CO,425.0
CCCCCCc1cc(/C=C(\C#N)C(=O)O)sc1-c1ccc(-c2sc(-c3cc4sc5ccsc5c4s3)cc2CCCCCC)s1,Cc1ccccc1,450.0
CCCCCCc1cc2c(s1)-c1ccccc1N1B2c2cc(CCCCCC)sc2-c2cc3c(cc21)-c1sc(CCCCCC)cc1B1c2cc(CCCCCC)sc2-c2cc4c(cc2N13)-c1sc(CCCCCC)cc1B1c2cc(CCCCCC)sc2-c2ccccc2N14,C1CCOC1,419.0
CCCCCCc1cc2c3cscc3c3cc(CCCCCC)sc3c2s1,ClC(Cl)Cl,393.0
CCCCCCc1ccc(-c2cc3cc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)s4)ccc3n2-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1,CCO,431.0
CCCCCCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(CCCCCC)s4)ccc2n3-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(/C=C(\C#N)c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)s4)ccc2-3)s1,ClCCl,476.0
CCCCCCc1ccc(-n2c3c4cccc(OC)c4nc(-c4ccc(C#N)cc4)c3c3c2c2c(-c4ccc(C#N)cc4)nc4c(OC)cccc4c2n3-c2ccc(CCCCCC)cc2)cc1,ClC(Cl)Cl,322.0
CCCCCCc1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(N(c3cccc(CCCCCC)c3)c3cccc(CCCCCC)c3)=C3/C=CC(=N3)/C=4C#Cc3ccc(C(=O)O)cc3)/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)c2ccc(CCCCCC)cc2)cc1,C1CCOC1,660.0
CCCCCCc1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(CCCCCC)cc2)cc1,C1CCOC1,647.0
CCCCCCc1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(CCCCCC)cc2)cc1,CCO,646.0
CCCCCCc1ccc(N2c3ccc(-c4sc(C=C(C#N)C(=O)O)c5c4OCCO5)cc3Sc3cc(-c4sc(C=C(C#N)C(=O)O)c5c4OCCO5)ccc32)cc1,CN(C)C=O,459.0
CCCCCCc1ccc2c(/C=N/c3ccc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)cc3)c(O)ccc2c1,C1CCOC1,497.0
CCCCCCc1ccc2c(/C=N/c3ccc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)cc3)c(O)ccc2c1,CC#N,487.0
CCCCCCc1ccc2c(/C=N/c3ccc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)cc3)c(O)ccc2c1,Cc1ccccc1,498.0
CCCCCCc1ccc2c(/C=N/c3ccc(/N=C/c4c(O)ccc5cc(CCCCCC)ccc45)cc3)c(O)ccc2c1,ClCCl,493.0
CCCCCCc1sc(-c2sc(-c3ccc4c(c3)Sc3cc(/C=C(\C#N)C(=O)O)ccc3N4CCCCCC)c3c2OCCO3)c2c1OCCO2,ClCCl,489.0
CCCCCCc1sc(CCCCCC)c2c3ccsc3c3sccc3c12,ClC(Cl)Cl,383.0
CCCCCCn1c(=O)c2c3oc4ccccc4sc3c3c(=O)n(CCCCCC)c(=O)c3c2c1=O,ClCCl,437.0
CCCCCCn1c(=S)n(CCCCCC)c2cc(N(c3ccc(-c4cc(C)c(-c5sc(/C=C(/C#N)C(=O)O)cc5C)s4)cc3)c3ccc4c(c3)n(CCCCCC)c(=S)n4CCCCCC)ccc21,ClCCl,466.0
CCCCCCn1c2c(c3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)ccc31)C(CC)(CC)c1ccccc1-2,ClCCl,477.0
CCCCCCn1c2cc(C=C(C#N)C#N)sc2c2sc3c(sc4c5sc(C=C(C#N)C#N)cc5n(CCCCCC)c43)c21,ClCCl,588.0
CCCCCCn1c2cc(C=C(C#N)C(=O)O)ccc2c2ccc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)cc21,ClCCl,397.0
CCCCCCn1c2ccc(/C=C(/C#N)C(=O)O)cc2c2cc(-c3ccc(/C=C(/C#N)C(=O)O)cc3)ccc21,ClC(Cl)Cl,421.0
CCCCCCn1c2ccc(C=C3SC(=O)NC3=O)cc2c2cc(C=C3SC(=O)NC3=O)ccc21,C1CCOC1,393.0
CCCCCCn1c2ccccc2c2cc(-c3cc(-c4sc(/C=C(\C#N)C(=O)O)cc4-c4ccc5c(c4)c4ccccc4n5CCCCCC)sc3-c3ccc4c(c3)c3ccccc3n4CCCCCC)ccc21,ClCCl,492.0
CCCCCCn1c2ccccc2c2cc(-c3ccc(-c4cc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)s3)ccc21,C1CCOC1,482.0
CCCCCCn1c2ccccc2c2cc(-c3ccc(C=C(C#N)C(=O)O)c(F)c3)ccc21,ClC(Cl)Cl,396.0
CCCCCCn1c2ccccc2c2cc(-c3ccc4c(c3)c3nc5cc(-c6ccc(/C=C(\C#N)C(=O)O)cc6)ccc5nc3n4CC)ccc21,CN(C)C=O,405.0
CCCCCCn1c2ccccc2c2cc(/C=C(/C#N)c3ccc(/C=C4/SC(=S)N(CC(=O)O)C4=O)s3)ccc21,ClC(Cl)Cl,504.0
CCCCCCn1c2ccccc2c2cc(C=C(C#N)C(=O)O)ccc21,CN(C)C=O,349.0
CCCCCOc1cc2oc(=O)c3c4ccc(N)cc4c4ccc5cccc6c(c1)c2c3c4c56,C1CCOC1,471.0
CCCCC[C@H](CC)COc1ccc(N(c2ccc(OC[C@@H](CC)CCCC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)cc2)cc1,ClCCl,478.0
CCCCC[Si]1(CCCCC)c2cc(-c3ccc(/C=C(/C#N)C(=O)O)cc3)ccc2-c2ccc(-c3ccc4c(c3)C3CCCC3N4c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)cc21,CN(C)C=O,391.0
CCCCCc1c(CCCCC)c2cc3ccccc3n2c2nc3ccccc3cc12,CCCCCC,455.0
CCCCCc1c(CCCCC)c2cc3ccccc3n2c2nc3ccccc3cc12,CO,444.0
CCCCCc1c(CCCCC)c2cc3ccccc3n2c2nc3ccccc3cc12,ClCCl,448.0
CCCCCn1c2ccccc2c(=O)c2ccccc21,CS(C)=O,403.0
CCCCCn1c2ccccc2c(=O)c2ccccc21,O,394.0
CCCCCn1c2ccccc2c2cc(N3c4ccc(-c5ccc(/C=C6\SC(=S)N(CC(=O)O)C6=O)cc5)cc4[C@H]4CCC[C@H]43)ccc21,CO,456.0
CCCCN(CCCC)c1cc(OC)c(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1OC,ClCCl,395.0
CCCCN(CCCC)c1ccc(/C=C/c2ccc3c(c2)CCc2cc(/C=C/c4ccc(N(CCCC)CCCC)cc4)ccc2-3)cc1,CS(C)=O,420.5
CCCCN(CCCC)c1ccc(/C=C/c2ccc3c(c2)CCc2cc(/C=C/c4ccc(N(CCCC)CCCC)cc4)ccc2-3)cc1,Cc1ccccc1,412.7
CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C#Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C#Cc2ccc(N(CCCC)CCCC)cc2)cc1,ClCCl,410.0
CCCCN(CCCC)c1ccc(C#Cc2cc(C#Cc3ccc(C(F)(F)F)cc3)c(C#Cc3ccc(N(CCCC)CCCC)cc3)cc2C#Cc2ccc(C(F)(F)F)cc2)cc1,ClCCl,438.0
CCCCN(CCCC)c1ccc2c(-c3cccc(CN4CCOCC4)c3)c3ccc(=[NH2+])cc-3oc2c1,O,535.0
CCCCN(CCCC)c1ccc2nc3c4ccccc4c(=O)c(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)c-3oc2c1,ClCCl,577.0
CCCCN1C(=CC2=C([O-])C(=CC3=[N+](CCCC)c4ccccc4C3)C2=C(C#N)C#N)C(C)(C)c2ccccc21,ClC(Cl)Cl,692.0
CCCCN1C(=O)C2=C(c3ccc(-c4ccc5c(c4)C4CCCC4N5c4ccc(C)cc4)cc3)N(CCCC)C(=O)C2=C1c1ccc(-c2ccc(C=C(C#N)C(=O)O)cc2)cc1,ClCCl,517.0
CCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c(=O)[nH]/c(=C\c6ccc7ccccc7n6)c6cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c4c56,ClCCl,626.0
CCCCN1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(CCCC)C5=O,ClC(Cl)Cl,524.0
CCCCN1NC2C(N1)C(c1ccc(/C=C(\C#N)C(=O)O)cc1)C1N[NH+](CCCC)[N-]C1C2c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,520.0
CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Sc2cc(-c3ccc(C=O)cc3)ccc21,C1CCOC1,372.0
CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Sc2cc(-c3ccc(C=O)cc3)ccc21,CC#N,365.0
CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Sc2cc(-c3ccc(C=O)cc3)ccc21,CC(C)=O,365.0
CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Sc2cc(-c3ccc(C=O)cc3)ccc21,CCCCCC,358.0
CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Sc2cc(-c3ccc(C=O)cc3)ccc21,CS(C)=O,376.0
CCCCN1c2ccc(-c3ccc(C=O)cc3)cc2Sc2cc(-c3ccc(C=O)cc3)ccc21,Cc1ccccc1,367.0
CCCCN1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2Sc2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)c4nsnc34)ccc21,C1CCOC1,464.0
CCCCN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-n3c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)ccc21,ClCCl,448.0
CCCCN1c2ccccc2Sc2cc(-c3ccc(/C=C(\C#N)C(=O)O)s3)ccc21,ClCCl,448.0
CCCCO/C1=C2\C=CC(=N2)/C(c2ccccc2)=c2/cc/c3n2[Zn]n2c(ccc21)/C(c1ccccc1)=C1/C=CC(=N1)C=3\C=C\C=C(/C#N)C(=O)O,CCO,641.0
CCCCOC(=O)/C=C/c1nc2c(c(=O)n(C)c(=O)n2C)n1CCCC,ClCCl,349.0
CCCCOC(=O)c1cc(Cl)c2c3c(Cl)cc4c5c(cc(Cl)c(c6c(Cl)cc(C(=O)OCCCC)c1c26)c53)C(=O)N(c1c(C(C)C)cccc1C(C)C)C4=O,Cc1ccccc1,496.0
CCCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,CC#N,555.0
CCCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,CCO,543.0
CCCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,CN(C)C=O,562.0
CCCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12,O,558.0
CCCCOc1c(-c2c(OCCCC)c3oc4cc5ccccc5cc4c3c3ccccc23)c2ccccc2c2c1oc1cc3ccccc3cc12,C1CCOC1,366.0
CCCCOc1cc(C=Cc2ccc(C=Cc3cc(OCC(C)CC)c(OCC(C)CC)c(OCC(C)CC)c3)c3nsnc23)cc(OCC(C)CC)c1OCC(C)CC,ClCCl,485.0
CCCCOc1ccc(-c2ccc3c(c2)Sc2cc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)c5nsnc45)ccc2N3CCCC)c(OCCCC)c1,ClCCl,498.0
CCCCOc1ccc(N(c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)c2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)cc2)cc1,ClC(Cl)Cl,506.0
CCCCSC1=C(SCCCC)SC(=Cc2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)s3)cc2)S1,C1CCOC1,438.0
CCCC[C@H](CC)COc1ccc(-c2cc3c4c5c2cccc5c2cccc5c(-c6ccc(-c7ccc(-c8ccc(/C=c9\sc(=C(C#N)C#N)[nH]c9=O)s8)c8nc(-c9ccccc9)c(-c9ccccc9)nc78)s6)cc(c4c52)n3C[C@@H](CC)CCCC)cc1,C1CCOC1,516.0
CCCC[C@H](CC)COc1ccc(-n2c(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)cc4)cc3)cc3c2cc(-c2ccc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)cc2)n3-c2ccc(OC[C@@H](CC)CCCC)cc2)cc1,ClCCl,501.0
CCCC[C@H](CC)COc1ccc(-n2c(-c3ccc(-c4ccc(C=C(C#N)C(=O)O)cc4)cc3)cc3c2cc(-c2ccc(-c4ccc(C[C@@H](CC)CCCC)cc4)cc2)n3-c2ccc(OC[C@@H](CC)CCCC)cc2)cc1,ClCCl,406.0
CCCCc1cc(-c2cccc(COC)c2)oc1-c1cccc(-c2cc(CCCC)c(-c3cccc(-c4oc(-c5cccc(-c6oc(-c7cccc(COC)c7)cc6CCCC)c5)cc4CCCC)c3)o2)c1,ClC(Cl)Cl,336.0
CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(-c3ccc4c(c3)S(=O)(=O)c3cc(-c5ccc(N(c6ccc(CCCC)cc6)c6ccc(CCCC)cc6)cc5)ccc3-4)cc2)cc1,Cc1ccccc1,411.0
CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(-c3ccc4c(c3)S(=O)(=O)c3cc(-c5ccc(N(c6ccc(CCCC)cc6)c6ccc(CCCC)cc6)cc5)ccc3-4)cc2)cc1,ClC(Cl)Cl,418.0
CCCCn1c(-c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)s2)nc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21,C1CCOC1,428.0
CCCCn1c(-c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)nc2c(-c3cccs3)sc(-c3cccs3)c21,C1CCOC1,414.0
CCCCn1c(-c2ccc(-c3cccc4c3sc3ccccc34)s2)nc2c3cccnc3c3ncccc3c21,ClCCl,359.0
CCCCn1c(-c2ccc(-c3nnc(-c4cccs4)o3)cc2)nc2c3ccccc3c3ccccc3c21,ClCCl,363.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,C1CCOC1,478.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,CC#N,478.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,CCO,478.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,CN(C)C=O,478.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,Cc1ccccc1,478.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClC(Cl)Cl,478.0
CCCCn1c2cc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)ccc2c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21,ClCCl,478.0
CCCCn1c2cc(-c3ccc(-c4ccc5c(c4)C(CC)(CC)c4cc(C=O)ccc4-5)s3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,ClCCl,411.0
CCCCn1c2cc(-c3ccc(C=O)cc3)ccc2c2ccc(N(c3ccccc3)c3ccccc3)cc21,C1COCCO1,384.0
CCCCn1c2ccc(-c3ccc(-c4ccc(C(=O)O)cc4)s3)cc2c2cc(-c3ccc(-c4ccc(C(=O)O)cc4)s3)ccc21,C1COCCO1,383.0
CCCCn1c2ccc(C#Cc3ccc(/C=C(\C#N)C(=O)O)cc3)cc2c2nc3ccccc3nc21,C1CCOC1,410.0
CCCCn1c2ccc(C#Cc3ccc(/C=C(\C#N)C(=O)O)s3)cc2c2nc3ccccc3nc21,C1CCOC1,401.0
CCCCn1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2c2cc(C=C3C(=O)NC(=O)NC3=O)ccc21,C1CCOC1,477.0
CCCCn1c2ccc(C=CC(=O)O)cc2c2cc(C=CC3=CC(=C(C#N)C#N)C=C(C=Cc4ccc5c(c4)c4cc(C=CC(=O)O)ccc4n5CC(C)CC)O3)ccc21,CN(C)C=O,457.0
CCCCn1nc2c(-c3ccc(/C=C(\C#N)C(=O)O)cc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2n1,C1CCOC1,518.0
CCCN(c1ccccc1)c1ccc2c(c1)C(CC)(CC)c1cc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)ccc1-2,C1CCOC1,462.0
CCCN(c1ccccc1)c1ccc2c(c1)C(CC)(CC)c1cc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)ccc1-2,C1COCCO1,460.0
CCCN(c1ccccc1)c1ccc2c(c1)C(CC)(CC)c1cc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)ccc1-2,CC#N,428.0
CCCN(c1ccccc1)c1ccc2c(c1)C(CC)(CC)c1cc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)ccc1-2,CC(C)=O,458.0
CCCN(c1ccccc1)c1ccc2c(c1)C(CC)(CC)c1cc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)ccc1-2,CCOC(C)=O,444.0
CCCN(c1ccccc1)c1ccc2c(c1)C(CC)(CC)c1cc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)ccc1-2,CN(C)C=O,412.0
CCCN(c1ccccc1)c1ccc2c(c1)C(CC)(CC)c1cc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)ccc1-2,CS(C)=O,430.0
CCCN(c1ccccc1)c1ccc2c(c1)C(CC)(CC)c1cc(/C=C/c3ccc(/C=C(\C#N)C(=O)O)s3)ccc1-2,ClCCl,480.0
CCCN1C(=O)c2c3c(c4c(c2C1=O)CCc1cc(-c2ccc(N(C)C)cc2)c(OC)cc1-4)-c1cc(OC)c(-c2ccc(N(C)C)cc2)cc1CC3,C1CCCCC1,404.0
CCCN1C(=O)c2c3c(c4c(c2C1=O)CCc1cc(-c2ccc(N(C)C)cc2)c(OC)cc1-4)-c1cc(OC)c(-c2ccc(N(C)C)cc2)cc1CC3,C1CCOC1,409.0
CCCN1C(=O)c2c3c(c4c(c2C1=O)CCc1cc(-c2ccc(N(C)C)cc2)c(OC)cc1-4)-c1cc(OC)c(-c2ccc(N(C)C)cc2)cc1CC3,CCOC(C)=O,407.0
CCCN1C(=O)c2c3c(c4c(c2C1=O)CCc1cc(-c2ccc(N(C)C)cc2)c(OC)cc1-4)-c1cc(OC)c(-c2ccc(N(C)C)cc2)cc1CC3,Cc1ccccc1,412.0
CCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4c(O)c(O)ccc34)ccc21,ClC(Cl)Cl,427.0
CCCN1c2ccccc2Sc2cc(/C=C\c3cc(=O)oc4cc(C)ccc34)ccc21,ClC(Cl)Cl,424.0
CCCOc1cc2c(C(C)(C)C)c(c1)Cc1cc(OCCCCC(=O)OCc3cc(-c4ccc(/C=C(\C#N)C(=O)O)s4)sc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(c1C(C)(C)C)Cc1cc(OCCC)cc(c1C(C)(C)C)Cc1cc(OCCCCC(=O)OCc3cc(-c4ccc(C=C(C#N)C(=O)O)s4)sc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(c1C(C)(C)C)C2,C1CCOC1,436.0
CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,C1COCCO1,463.0
CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CC(C)O,485.0
CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CCCCO,490.0
CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CCCO,487.0
CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CCO,484.0
CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CO,479.0
CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,CS(C)=O,476.0
CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,496.0
CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,ClCCl,513.0
CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1,c1ccccc1,477.0
CCCc1c(-c2sc(-c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(CCC)(CCC)c4c6c(c7c(c4-5)C(CCC)(CCC)c4ccccc4-7)C(CCC)(CCC)c4ccccc4-6)cc3)c3c2OCCO3)sc2cc(C=C(C#N)C(=O)O)sc12,ClCCl,500.0
CCCc1c(CCC)c(CCC)n2c(c1CCC)c(C=O)c1cc(OC)ccc12,CC#N,400.0
CCCc1c(CCC)c(CCC)n2c(c1CCC)c(C=O)c1cc(OC)ccc12,CS(C)=O,401.0
CCN(CC)c1c(F)cc2c(c1F)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2,CCO,616.0
CCN(CC)c1c(F)cc2c(c1F)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2,ClC(Cl)Cl,639.0
CCN(CC)c1c(F)cc2c(c1F)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2,O,614.0
CCN(CC)c1cc(NC(C)=O)c(/N=N/c2ccc3c(=O)[nH][nH]c(=O)c3c2[N+](=O)[O-])cc1OC,CC(=O)O,538.0
CCN(CC)c1cc(NC(C)=O)c(/N=N/c2ccc3c(=O)[nH][nH]c(=O)c3c2[N+](=O)[O-])cc1OC,CN(C)C=O,544.0
CCN(CC)c1cc(NC(C)=O)c(/N=N/c2ccc3c(=O)[nH][nH]c(=O)c3c2[N+](=O)[O-])cc1OC,CS(C)=O,550.0
CCN(CC)c1cc2oc(=O)cc(C)c2cc1C,CCO,442.0
CCN(CC)c1ccc(-c2ccc3ccc4nc5c6cccnc6c6ncccc6c5nc4c3c2)cc1,O=C(O)C(F)(F)F,522.0
CCN(CC)c1ccc(-c2nc3c4ccccc4n(C)c3nc2-c2ccc([B-](F)(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc2)cc1,C1CCOC1,411.1111111
CCN(CC)c1ccc(/C=C/C(=O)O)cc1,CCO,469.0
CCN(CC)c1ccc(/C=C/c2sc3c4ccccc4ccc3[n+]2CCCS(=O)(=O)[O-])c(O)c1,CO,554.0
CCN(CC)c1ccc(/C=C/c2sc3ccccc3[n+]2CC(=O)[O-])c(O)c1,CO,535.0
CCN(CC)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1,CCO,458.0
CCN(CC)c1ccc(/C=N/C2CCCCC2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CC#N,376.0
CCN(CC)c1ccc(/C=N/C2CCCCC2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,CN(C)C=O,410.0
CCN(CC)c1ccc(/C=N/C2CCCCC2/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1,ClCCl,403.0
CCN(CC)c1ccc(/N=N/c2cc3c(=O)[nH][nH]c(=O)c3cc2[N+](=O)[O-])cc1,CC(=O)O,511.0
CCN(CC)c1ccc(/N=N/c2cc3c(=O)[nH][nH]c(=O)c3cc2[N+](=O)[O-])cc1,CN(C)C=O,514.0
CCN(CC)c1ccc(/N=N/c2cc3c(=O)[nH][nH]c(=O)c3cc2[N+](=O)[O-])cc1,CS(C)=O,514.0
CCN(CC)c1ccc(/N=N/c2ccc3c(=O)[nH][nH]c(=O)c3c2[N+](=O)[O-])cc1,CC(=O)O,505.0
CCN(CC)c1ccc(/N=N/c2ccc3c(=O)[nH][nH]c(=O)c3c2[N+](=O)[O-])cc1,CN(C)C=O,496.0
CCN(CC)c1ccc(/N=N/c2ccc3c(=O)[nH][nH]c(=O)c3c2[N+](=O)[O-])cc1,CS(C)=O,499.0
CCN(CC)c1ccc(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)cc1,CC#N,546.0
CCN(CC)c1ccc(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)cc1,ClCCl,549.0
CCN(CC)c1ccc(C(=C(c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2)c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2)c2ccc(N(CC)CC)cc2)cc1,ClCCl,488.0
CCN(CC)c1ccc(C(=C(c2ccc(Br)cc2)c2ccc(-c3ccc(/C=C(/C#N)C(=O)O)s3)cc2)c2ccc(N(CC)CC)cc2)cc1,ClCCl,502.0
CCN(CC)c1ccc(C(=C(c2ccccc2)c2ccc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc2)c2ccc(N(CC)CC)cc2)cc1,C1CCOC1,428.0
CCN(CC)c1ccc(C=Cc2ccc(/C=C/c3ccc(/C=C4/SC(=S)N(CC(=O)O)C4=O)s3)s2)cc1,C1CCOC1,513.0
CCN(CC)c1ccc(C=Cc2ccn3cc(-c4ccccc4)nc3c2)cc1,O=C(O)C(F)(F)F,425.0
CCN(CC)c1ccc(C=Cc2nc3nc4ccccc4nc3s2)cc1,CO,490.0
CCN(CC)c1ccc(N=Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1,CS(C)=O,508.0
CCN(CC)c1ccc(N=Nc2nc3ccc(C)cc3s2)c(O)c1,CO,532.0
CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CC#N,551.0
CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CCO,556.0
CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,CN(C)C=O,554.0
CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,O,554.0
CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/C=C/c1ccc(N(C)C)cc1)CCC3,ClCCl,749.0
CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/c1ccc(N2CCCC2)s1)CCC3,ClCCl,738.0
CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/c1ccc(O)cc1)CCC3,CO,570.0
CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3c([o+]c2c1)/C(=C/c1nc(C)n2ccccc12)CCC3,ClCCl,701.0
CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1,CC#N,555.0
CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,C1COCCO1,561.0
CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CC#N,597.0
CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CCO,602.0
CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CCOC(C)=O,568.0
CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CN(C)C=O,525.0
CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CO,591.0
CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,CS(C)=O,531.0
CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,Cc1ccccc1,560.0
CCN(CC)c1ccc2c(C#N)c(/C=C(\C#N)c3nc4ccccc4s3)c(=O)oc2c1,ClCCl,611.0
CCN(CC)c1ccc2c(C(C)(C)C)cc(/C=C/C=C/C=C3/N(CCCCCC(=O)O)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)[o+]c2c1,CCO,783.0
CCN(CC)c1ccc2c(C(C)(C)C)cc(/C=C/C=C/C=C3/N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)CCCC(=O)O)[o+]c2c1,CCO,784.0
CCN(CC)c1ccc2c(O)c(N=Nc3ccc([N+](=O)[O-])cc3)c(=O)oc2c1,CO,485.0
CCN(CC)c1ccc2c(c1)Cc1c-2[o+]c2cc(N(CC)CC)ccc2c1-c1ccccc1C(=O)[O-],CCO,583.0
CCN(CC)c1ccc2c(c1)O/C(=C/C=C1/C(=O)N(CCCCCC(=O)O)C(=O)N(CCCS(=O)(=O)O)C1=O)C=C2c1cc(S(=O)(=O)O)c(OC)cc1C,CCO,626.0
CCN(CC)c1ccc2c(c1)O/C(=C/CC1C(=O)N(CCCCCC(=O)O)C(=O)N(CCCS(=O)(=O)O)C1=O)C(C)=C2c1cccc(C(=O)O)c1,CCO,624.0
CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2,CO,700.0
CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,CC#N,708.0
CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,CCO,700.0
CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,CO,700.0
CCN(CC)c1ccc2c(c1)OC1=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CCCC1=C2c1ccccc1C(=O)O,ClC(Cl)Cl,716.0
CCN(CC)c1ccc2c(c1)oc(=O)c1c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc12,CCO,591.0
CCN(CC)c1ccc2c(c1)oc(=O)c1c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc12,ClC(Cl)Cl,602.0
CCN(CC)c1ccc2c(c1)oc(=O)c1c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc12,O,594.0
CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3cc(Br)ccc3c12,CS(C)=O,469.0
CCN(CC)c1ccc2c(c1)oc(=O)c1c(=O)oc3cc(Br)ccc3c12,ClCCl,466.0
CCN(CC)c1ccc2c(c1)oc(=O)c1cc3c(-c4ccccc4)nn(C)c3nc12,ClCCl,350.0
CCN(CC)c1ccc2c(c1)oc(=O)c1cc3c(C)nn(-c4ccccc4)c3nc12,ClCCl,377.0
CCN(CC)c1ccc2c(c1)oc(=O)c1cnc3c(c(C)nn3-c3ccccc3)c12,ClCCl,404.0
CCN(CC)c1ccc2c3c(c(=O)oc2c1)N=[N+](c1ccc(OC)cc1)[B-](F)(F)O3,CN(C)C=O,546.0
CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,C1CCCCC1,425.4
CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CC1CCCCC1,425.4
CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CCC(C)CC,425.0
CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CCCCCC,425.0
CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CCO,458.0
CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CCOC(C)=O,439.4
CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,CC#N,630.0
CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,CC(C)=O,620.0
CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,CCOC(C)=O,604.0
CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,CN(C)C=O,641.0
CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,CS(C)=O,652.0
CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,Cc1ccccc1,598.0
CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,ClC(Cl)Cl,615.0
CCN(CC)c1ccc2cc(/C=C/C3=CC(/C=C/c4cc5ccc(N(CC)CC)cc5oc4=O)=[O+][B-](F)(F)O3)c(=O)oc2c1,ClCCl,625.0
CCN(CC)c1ccc2cc3cc(-c4ccc([N+](=O)[O-])cc4)n(CCCC(=O)OCc4ccccc4)c(=O)n3c2c1,CCCCCC,456.0
CCN(CC)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,C1CCOC1,476.0
CCN(CC)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,CC#N,484.0
CCN(CC)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,CCCCCC,446.0
CCN(CC)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,CS(C)=O,500.0
CCN(CC)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,Cc1ccccc1,471.0
CCN(CC)c1nc(-c2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])s2)s1,ClCCl,488.0
CCN(CCCS(=O)(=O)[O-])c1ccc2c(-c3ccccc3C(=O)N(C)CCCC(=O)O)c3c([o+]c2c1)=CC1C(C=3)C(C)=CC(C)(C)N1CCCS(=O)(=O)O,CCO,584.0
CCN(CCO)c1ccc(N=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1,CN(C)C=O,550.0
CCN1/C(=C/C2=C3CCCC(/C=C/C4=[N+](CC)c5ccccc5C4(C)C)=C3Oc3c2cc2c4c3CCCN4CCC2)C(C)(C)c2ccccc21,ClCCl,724.0
CCN1/C(=C/C=C/c2oc3ccccc3[n+]2CC)Oc2ccccc21,CCO,470.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,C1CCOC1,684.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CC#N,677.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CC(C)=O,680.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CCO,682.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CN(C)C=O,683.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CO,678.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,CS(C)=O,686.0
CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21,ClCCl,693.0
CCN1/C(=C\C=C\c2oc3ccccc3[n+]2CC)Oc2ccccc21,CCO,485.0
CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CC#N,515.0
CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CCCCCCO,521.0
CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CCCCO,520.0
CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CCCO,518.0
CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CCO,516.0
CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CO,514.0
CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,CS(C)=O,522.0
CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,OCC(O)CO,521.0
CCN1C(=CC=Cc2n(CC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21,OCCO,518.0
CCN1C(=CC=Cc2oc3ccccc3[n+]2CC)Oc2ccccc21,ClCCl,488.0
CCN1C(=O)C(=CC=CC=CC=C2Sc3ccccc3N2CC)C(=O)N(CC)C1=S,ClCCl,708.0
CCN1C(=O)C(=c2sc(=Cc3ccc4c(c3)C3CCCC3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)O)SC1=S,ClCCl,664.0
CCN1CCCc2cc3c(cc21)C(C)(C)c1cc2c(cc1=C3c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-])CCC[N+]=2CC,CCO,662.0
CCN1CCN(CC)c2cc3oc(=O)c(C(C)=O)cc3cc21,CO,477.0
CCN1CCN(c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)CC1,CCOC(C)=O,414.0
CCN1CCc2cc3c(cc21)C(C)(C)c1cc2c(cc1=C3)C(C)=CC(C)(C)[N+]=2CC,CCO,647.0
CCN1CCc2cc3c(cc21)C(C)(C)c1cc2c(cc1=C3)CCC[N+]=2CC,CCO,629.0
CCN1c2cc3c(cc2C(C)=CC1(C)C)C(c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-])=c1cc2c(cc1C3(C)C)=[N+](CC)C(C)(C)C=C2C,CCO,700.0
CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(/C=N/Nc3ccccn3)ccc21,C1CCOC1,392.0
CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(/C=N/Nc3ccccn3)ccc21,CS(C)=O,398.0
CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(/C=N/Nc3ccccn3)ccc21,Cc1ccccc1,392.0
CCN1c2ccc(/C=N/Nc3ccccn3)cc2Sc2cc(/C=N/Nc3ccccn3)ccc21,ClCCl,393.0
CCN1c2ccc(C3=CC(c4ccccc4)=[O+][B-](F)(F)O3)cc2Sc2cc(C3=CC(c4ccccc4)=[O+][B-](F)(F)O3)ccc21,ClCCl,525.0
CCN1c2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2Sc2cc(C=C3SC(=S)N(CC(=O)O)C3=O)ccc21,CN(C)C=O,489.0
CCNc1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C1O2,CC#N,716.0
CCNc1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C1O2,CCO,708.0
CCNc1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C1O2,CO,710.0
CCNc1cc2c(cc1C)C(c1ccccc1C(=O)O)=C1CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C1O2,ClC(Cl)Cl,722.0
CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C,CC#N,524.0
CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C,CCO,527.0
CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C,CN(C)C=O,534.0
CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C,CO,530.0
CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)OCC)c2cc1C,O,525.0
CCOC(=O)/C(=C/c1ccc(N2CCOCC2)cc1)n1nnc2ccccc21,CO,372.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,C1CCOC1,390.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,CC#N,389.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,CC(C)=O,388.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,CCOC(C)=O,400.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,CO,391.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,CS(C)=O,397.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,Cc1ccccc1,396.0
CCOC(=O)/C(C#N)=C\c1ccc2c(c1)c1ccccc1n2-c1ccc(C)cc1,ClC(Cl)Cl,389.0
CCOC(=O)/C=C/C1=Cc2c(-c3ccccc3)oc(-c3ccccc3)c2C=C(/C=C/C(=O)OCC)C1,ClC(Cl)Cl,384.0
CCOC(=O)/N=c1/oc2cc(N(CC)CC)ccc2cc1C#N,ClCCl,440.0
CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(Cl)n3[B-]2(F)F)C=C1,C1CCCCC1,514.0
CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(Cl)n3[B-]2(F)F)C=C1,C1CCOC1,511.0
CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(Cl)n3[B-]2(F)F)C=C1,CCOC(C)=O,509.0
CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(Cl)n3[B-]2(F)F)C=C1,CO,508.0
CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(Cl)n3[B-]2(F)F)C=C1,Cc1ccccc1,515.0
CCOC(=O)C(C(=O)OCC)C1=[N+]2C(=C(c3ccc(C)cc3)c3ccc(Cl)n3[B-]2(F)F)C=C1,ClC(Cl)Cl,513.0
CCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccc([N+](=O)[O-])cc1,CS(C)=O,358.0
CCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccccc1,CS(C)=O,364.0
CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)C1=Cc1ccc(-c2ccccc2)cc1,CC1CCCO1,590.0
CCOC(=O)C1=C(c2ccccc2)NC(=O)C1=Cc1ccc(-c2cccs2)s1,CC1CCCO1,710.0
CCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1,C1CCOC1,376.0
CCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1,CO,380.0
CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)cc1,CC#N,328.0
CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)cc1,CCOC(C)=O,328.0
CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)cc1,CN(C)C=O,334.0
CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)cc1,CS(C)=O,338.0
CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)cc1,c1ccccc1,328.0
CCOC(=O)c1c(-c2c(Cl)c3cc(C)ccc3oc2=O)nn(-c2cccc(Cl)c2)c1C(=O)OCC,ClCCl,331.0
CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2ccc(Br)cc2)c1C(=O)OCC,ClCCl,323.0
CCOC(=O)c1c(C(=O)OCC)c2cccnn2c1C(N)=O,C1CCCCC1,434.0
CCOC(=O)c1c(N)sc(N=Nc2ccc(C#N)cc2)c1-c1ccccc1,CS(C)=O,501.0
CCOC(=O)c1cc(C(=O)OCC)c2c(C)ccc(O)c2n1,CCO,369.0
CCOC(=O)c1cc2nc3ccccc3n2cc1C,ClCCl,253.0
CCOC(=O)c1ccc(C2=Cc3cc4ccccc4cc3P2(=O)c2ccccc2)cc1,ClCCl,390.0
CCOC(=O)c1ccc2ccccc2c1,CCOC(C)=O,425.0
CCOC(=O)c1ccccc1N1CCC1,ClCCl,331.0
CCOC(=O)c1nn(-c2ccc(OC)cc2)nc1N1CCCC1,CC#N,336.0
CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N,C1COCCO1,420.0
CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N,CC#N,412.0
CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N,CCO,423.0
CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N,CCOC(C)=O,419.0
CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N,ClC(Cl)Cl,416.0
CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N,c1ccccc1,418.0
CCOC(CN1C(=O)C2=C(c3ccc(OC)c(OC)c3)N(CC(OCC)OCC)C(=O)C2=C1c1ccc(OC)c(OC)c1)OCC,ClC(Cl)Cl,495.0
CCOP1(=O)c2cccc3cccc(c23)-c2cccc3cccc1c23,ClCCl,346.0
CCOS(=O)(=O)OCC,O,708.0
CCOc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1,CS(C)=O,564.0
CCOc1ccc(/C=C/c2nc(N3CCOCC3)c3c([n+]2[O-])CCCC3)cc1,ClCCl,384.0
CCOc1ccc(N=Nc2ccc(O)c3ncccc23)cc1,CS(C)=O,410.0
CCOc1ccc2c(-c3nc(-c4ccccc4Cl)no3)cc(=O)oc2c1,CCO,393.0
CCOc1ccc2c(-c3nc(-c4ccccc4Cl)no3)cc(=O)oc2c1,ClC(Cl)Cl,394.0
CCOc1ccc2ccccc2c1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,430.0
CCOc1ccccc1C(=O)C(=O)c1ccccc1OCC,CCOC(C)=O,476.0
CCOc1ccccc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,429.0
CCSc1cc2c(cc1/C=C(\C#N)C(=O)O)Sc1ccccc1N2c1ccc(OC)cc1,ClCCl,492.0
CC[B-]1(CC)c2cccc3cc4ccccc4c(c23)-c2cccc(C)[n+]21,ClCCl,453.0
CC[C@H](C)COc1ccc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(C)c(I)c(C)c32)cc1,ClCCl,532.0
CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(=O)oc4cc5c(cc4c3oc-2c1)CCCN5C,CCO,598.0
CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(=O)oc4cc5c(cc4c3oc-2c1)CCCN5C,ClC(Cl)Cl,610.0
CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(=O)oc4cc5c(cc4c3oc-2c1)CCCN5C,O,601.0
CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1cc(C)c(C)cc12,O,378.0
CC[N+]1(CC)CN2C(=N1)C(C(=O)O)=Cc1cc(Cl)ccc12,O,377.0
CC[N+]1=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)C(C)(C)c2ccccc21,C1CCOC1,520.0
CC[N+]1=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)C(C)(C)c2ccccc21,CC#N,507.0
CC[N+]1=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)C(C)(C)c2ccccc21,CS(C)=O,506.0
CC[N+]1=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)C(C)(C)c2ccccc21,Cc1ccccc1,536.0
CC[N+]1=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)C(C)(C)c2ccccc21,O,504.0
CC[N+]1=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)C(C)(C)c2ccccc21,OCC(O)CO,520.0
CC[N+]1=C(C=CC=C2N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21,O,554.0
CC[PH](CC)(CC)[Pt](C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)(C#Cc1ccc(/C=C(/C#N)C(=O)O)s1)[PH](CC)(CC)CC,ClCCl,462.0
CC[n+]1nc2cc3c(cc2c2cc(C)ccc21)N(C)CCC3,O,487.0
CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)c1C,C1CCOC1,615.0
CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)c1C,CC#N,607.0
CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)c1C,CCCCCC,616.0
CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)c1C,CO,610.0
CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)c1C,Cc1ccccc1,623.0
CCc1c(C)[nH]c(C2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)c3ccccc32)c1C,ClCCl,616.0
CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C=CC1=C2C,CC#N,524.0
CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C=CC1=C2C,CCCCCC,534.0
CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C=CC1=C2C,CCOC(C)=O,527.0
CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C=CC1=C2C,CO,525.0
CCc1c(C)c2n(c1C)[B-](F)(F)[N+]1=C(NCc3ccc(OC)cc3)C=CC1=C2C,ClCCl,531.0
CCc1c(CC)c(CC)n2c(c1CC)c(C=O)c1ccccc12,CC#N,406.0
CCc1c(CC)c(CC)n2c(c1CC)c(C=O)c1ccccc12,CS(C)=O,409.0
CCc1cc(CC)c(/C2=C3\C=CC(=N3)/C(c3c(CC)cc(CC)cc3CC)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2c(CC)cc(CC)cc2CC)c(CC)c1,ClCCl,588.0
CCc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(-c7ccc(CC)cc7)s6)o5)cc4)o3)s2)cc1,C1COCCO1,334.0
CCc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(-c7ccc(CC)cc7)s6)o5)cc4)o3)s2)cc1,CC#N,340.0
CCc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(-c7ccc(CC)cc7)s6)o5)cc4)o3)s2)cc1,CC(=O)N(C)C,345.0
CCc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(-c7ccc(CC)cc7)s6)o5)cc4)o3)s2)cc1,CCCCCCCCCCO,347.0
CCc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(-c7ccc(CC)cc7)s6)o5)cc4)o3)s2)cc1,CCCCCCCCO,345.0
CCc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(-c7ccc(CC)cc7)s6)o5)cc4)o3)s2)cc1,CCCCCCO,346.0
CCc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(-c7ccc(CC)cc7)s6)o5)cc4)o3)s2)cc1,CCCCO,344.0
CCc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(-c7ccc(CC)cc7)s6)o5)cc4)o3)s2)cc1,CCO,342.0
CCc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(-c7ccc(CC)cc7)s6)o5)cc4)o3)s2)cc1,CS(C)=O,346.0
CCc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(-c7ccc(CC)cc7)s6)o5)cc4)o3)s2)cc1,Cc1ccccc1,348.0
CCc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(-c7ccc(CC)cc7)s6)o5)cc4)o3)s2)cc1,ClC(Cl)Cl,346.0
CCc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(CC)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(CC)cc2)=C2/C=C(/C=C/C=C(C(=O)O)C(=O)O)C(=N2)/C=4c2ccc(CC)cc2)cc1,CN(C)C=O,612.0
CCc1ccccc1-c1c2ccccc2c(C#Cc2ccccc2)c2cc3ccccc3cc12,ClCCl,522.0
CCc1ccccc1C1=c2cc3cc4c5c(c3cc2C2(c3ccccc3Oc3ccccc32)c2cc3c6c7c(cc3cc21)CCCN7CCC6)CCC[N+]=5CCC4,ClCCl,882.0
CCc1nc2c(nc1CC)C(c1ccccc1)=[N+]1C2=Nc2c3nc(CC)c(CC)nc3c(-c3ccccc3)n2[B-]1(F)F,C1CCOC1,685.0
CCc1nccnc1C(=O)C=Cc1ccc(Cl)cc1,CCO,315.0
CCc1nnc(-c2ccn3c(C)nc(Cl)c3c2)o1,ClCCl,248.0
CCc1nnc(N=Nc2c(C)n(C)c3ccccc23)s1,CS(C)=O,442.0
CCn1c(-c2cc(-c3nc(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)c(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)n3CC)c3c(c2)C(CC)(CC)c2cc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)s4)ccc2-3)nc(-c2ccc3c(c2)C(CC)(CC)c2ccccc2-3)c1-c1ccc2c(c1)C(CC)(CC)c1ccccc1-2,C1CCOC1,459.0
CCn1c2c(-c3ccc(-c4cccs4)s3)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(-c3ccc(-c4cccs4)s3)c21,ClCCl,360.0
CCn1c2c(-c3cccs3)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(-c3cccs3)c21,ClCCl,360.0
CCn1c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2c2cc(-c3ccc(-c4ccc(N(c5ccc(-c6cccs6)cc5)c5ccc(-c6cccs6)cc5)cc4)s3)ccc21,ClC(Cl)Cl,379.0
CCn1c2ccc(C3=[O+][B-](F)(F)OC(C)=C3)cc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,C1CCOC1,414.0
CCn1c2ccc(C3=[O+][B-](F)(F)OC(C)=C3)cc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,CC(C)=O,417.0
CCn1c2ccc(C3=[O+][B-](F)(F)OC(C)=C3)cc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,CO,414.0
CCn1c2ccc(C3=[O+][B-](F)(F)OC(C)=C3)cc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,Cc1ccccc1,412.0
CCn1c2ccc(C3=[O+][B-](F)(F)OC(C)=C3)cc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,ClC(Cl)Cl,417.0
CCn1c2ccc(C3=[O+][B-](F)(F)OC(C)=C3)cc2c2cc(C3=[O+][B-](F)(F)OC(C)=C3)ccc21,ClCCl,418.0
CCn1c2ccc(C=Cc3ccc4c(c3)c3cc(-c5nc6ccccc6s5)ccc3n4CC)cc2c2cc(-c3nc4ccccc4s3)ccc21,CCOC(C)=O,362.0
CCn1c2ccccc2c2c1c1c3ccccc3n(CC)c1c1c3cc(-c4ccc(/C=C(\C#N)C(=O)O)o4)ccc3n(CC)c21,C1CCOC1,442.0
CCn1c2ccccc2c2cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7CC)cc5)nc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7CC)cc5)n4)cc3)ccc21,C1CCOC1,380.0
CCn1c2ccccc2c2cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc21,CCO,411.0
CCn1c2ccccc2c2cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc21,CN(C)C=O,390.0
CCn1c2ccccc2c2cc(-c3nc4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)cc4nc3-c3ccc4c(c3)c3ccccc3n4CC)ccc21,ClCCl,445.0
CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,C1CCOC1,388.0
CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,CCOC(C)=O,384.0
CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,CN(C)C=O,392.0
CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,Cc1ccccc1,389.0
CCn1c2ccccc2c2cc(C#Cc3cc(C#Cc4ccc5c(c4)c4ccccc4n5CC)nc(OC)n3)ccc21,ClCCl,390.0
CCn1c2ccccc2c2cc(N3C(=O)c4cccc5c(-c6ccc(/C=C(\C#N)C(=O)O)s6)ccc(c45)C3=O)ccc21,ClCCl,397.0
CCn1cc(C=C(C#N)c2nc3ccccc3s2)c2ccccc21,Cc1ccccc1,427.0
CCn1ncc2c3c(C#N)c4c5ccccc5n(CC)c4nc3ccc21,CCOC(C)=O,383.0
CI,CCCCCC,259.0
CI,CN1CCCC1=O,535.6
CN(C)C#C/C1=c2\cc/c3n2[Zn]n2c(ccc2/C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)=C2/C=CC1=N2)/C(C#Cc1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C=3c1cc(C(C)(C)C)cc(C(C)(C)C)c1,C1CCOC1,458.0
CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CC#N,280.0
CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,CO,276.0
CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,O,279.0
CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,CC#N,310.0
CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,CO,310.0
CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,O,306.0
CN(C)c1cc2c(cc1F)c(=O)c1cc(F)c(N(C)C)cc1n2C,CCO,384.0
CN(C)c1cc2c(cc1F)c(=O)c1cc(F)c(N3CCCCC3)cc1n2C,CCO,364.0
CN(C)c1cc2sc3cc(N(C)C)c(F)cc3c(=O)c2cc1F,CCO,382.0
CN(C)c1ccc(-c2c3c([o+]c4c2Cc2cc(N)ccc2-4)-c2ccc(N)cc2C3)cc1,CCO,578.0
CN(C)c1ccc(-c2cc(-c3ccc(C#N)cc3)nc(-c3ccccc3)n2)cc1,ClC(Cl)Cl,376.0
CN(C)c1ccc(-c2cc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,CC(C)=O,446.0
CN(C)c1ccc(-c2cc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,CCCCO,448.0
CN(C)c1ccc(-c2cc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,CCOC(C)=O,442.0
CN(C)c1ccc(-c2cc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,CN(C)C=O,456.0
CN(C)c1ccc(-c2cc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,CO,444.0
CN(C)c1ccc(-c2cc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1,ClC(Cl)Cl,455.0
CN(C)c1ccc(-c2cc[n+](C)cc2)s1,CCO,468.0
CN(C)c1ccc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1,ClC(Cl)Cl,323.0
CN(C)c1ccc(-c2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,C1CCCCC1,333.0
CN(C)c1ccc(-c2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,CC#N,336.0
CN(C)c1ccc(-c2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,CO,336.0
CN(C)c1ccc(-c2ccc(-c3nc(C#N)c(C#N)n3C)cc2)cc1,ClC(Cl)Cl,348.0
CN(C)c1ccc(-c2ccc(/C=C(\C#N)c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)cc1,CN(C)C=O,447.0
CN(C)c1ccc(-c2ccc(C#N)s2)s1,CCO,413.0
CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,C1CCOC1,365.0
CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,C1COCCO1,362.0
CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,CC#N,366.0
CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,CCCCCCC,357.0
CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,CCCCCCCCO,362.0
CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,CS(C)=O,380.0
CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,Cc1ccccc1,367.0
CN(C)c1ccc(-c2ccc3c(=O)c(O)coc3c2)cc1,ClCCl,373.0
CN(C)c1ccc(-c2ccnc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)nn23)cc1,ClCCl,401.0
CN(C)c1ccc(-c2ccnc3nc(-c4ccc(Cl)cc4)nn23)cc1,ClCCl,394.0
CN(C)c1ccc(-c2nc(-c3ccc(C#N)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1,ClCCl,397.0
CN(C)c1ccc(-c2nc(C=CC=Cc3ccc([N+](=O)[O-])cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1,ClCCl,474.0
CN(C)c1ccc(-c2nc3cc(C(F)(F)F)ccc3n2-c2ccccc2)cc1,CC#N,332.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,C1COCCO1,411.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CC#N,410.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CC(C)=O,409.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CCCCCC,401.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CCCCO,417.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CCCO,417.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CCO,417.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CN(C)C=O,419.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,CO,417.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,Cc1ccccc1,413.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,ClC(Cl)(Cl)Cl,406.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,ClC(Cl)Cl,414.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,ClCCl,415.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,OCC(O)CO,424.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,OCCO,424.0
CN(C)c1ccc(/C=C/C=C/c2nc3ccccc3o2)cc1,c1ccccc1,411.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,C1CCOC1,479.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC#N,478.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC(C)=O,474.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CC(C)O,493.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCCCCC,435.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCCCO,499.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCCCOC(C)=O,468.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCCO,499.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCO,498.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCOC(=O)c1ccccc1,481.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCOC(C)=O,464.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CCOCC,448.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CN(C)C=O,486.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CO,500.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,CS(C)=O,496.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,Cc1ccccc1,475.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClC(Cl)(Cl)Cl,449.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClC(Cl)Cl,486.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,ClCCl,484.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,Clc1ccccc1Cl,488.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,S=C=S,489.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,c1ccccc1,475.0
CN(C)c1ccc(/C=C/C=C2\CC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1,c1ccncc1,488.0
CN(C)c1ccc(/C=C/c2ccnc(/C=C/c3ccc(N(C)C)cc3)n2)cc1,ClCCl,385.0
CN(C)c1ccc(/C=C/c2nc3cnccn3c2NC2CCCCC2)cc1,CS(C)=O,407.0
CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])cc1,CO,565.0
CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])cc1,ClC(Cl)Cl,565.0
CN(C)c1ccc(/C=c2\o/c(=C\c3ccc4ccccc4c3)c3ccccc23)cc1,ClCCl,417.0
CN(C)c1ccc(C#Cc2cc(C#N)c(C#Cc3ccccc3C#N)cc2C#N)cc1,ClC(Cl)Cl,462.0
CN(C)c1ccc(C#Cc2cc3ccc4cc(C#Cc5ccc(N(C)C)cc5)cc5ccc(c2)c3c45)cc1,Cc1ccccc1,421.0
CN(C)c1ccc(C#Cc2ccc(C(=O)O)cc2)cc1,ClCCl,382.0
CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,C1COCCO1,429.0
CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,CC(C)=O,431.0
CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,CCCCCC,421.0
CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,CCCCCCO,429.0
CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,CCO,426.0
CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,CCOC(C)=O,428.0
CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,CO,427.0
CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,Cc1ccccc1,429.0
CN(C)c1ccc(C#Cc2ccc3ccc4ccc(C#Cc5ccc(N(C)C)cc5)c5ccc2c3c45)cc1,ClCCl,429.0
CN(C)c1ccc(C#Cc2ncnc3ccccc23)cc1,ClCCl,384.0
CN(C)c1ccc(C#N)cc1,CC#N,291.773309
CN(C)c1ccc(C#N)cc1,CCCCCC,280.2559415
CN(C)c1ccc(C(=Cc2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(/C=C7\SC(=S)N(CC(=O)O)C7=O)cc6)cc5)s4)s3)cc2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,479.0
CN(C)c1ccc(C(=Cc2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(C=C(C#N)C(=O)O)cc6)cc5)s4)s3)cc2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,434.0
CN(C)c1ccc(C(=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccc(/C=C5\SC(=S)N(CC(=O)O)C5=O)cc4)cc3)cc2)c2ccc(N(C)C)cc2)cc1,ClC(Cl)Cl,483.0
CN(C)c1ccc(C(=O)Nc2ccc(F)cc2)cc1,C1CCCCC1,307.0
CN(C)c1ccc(C(=O)Nc2ccc(F)cc2)cc1,C1CCOC1,311.0
CN(C)c1ccc(C(=O)Nc2ccc(F)cc2)cc1,CC#N,314.0
CN(C)c1ccc(C(=O)Nc2ccc(F)cc2)cc1,CCOCC,307.0
CN(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCOCCOCCOCCO3)cc1,CC#N,318.0
CN(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCOCCOCCOCCO3)cc1,CCOCC,325.0
CN(C)c1ccc(C(=O)Nc2cccc(Br)c2)cc1,C1CCCCC1,310.0
CN(C)c1ccc(C(=O)Nc2cccc(Br)c2)cc1,C1CCOC1,317.0
CN(C)c1ccc(C(=O)Nc2cccc(Br)c2)cc1,CC#N,318.0
CN(C)c1ccc(C(=O)Nc2cccc(Br)c2)cc1,CCOCC,312.0
CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1,C1CCCCC1,310.0
CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1,C1CCOC1,314.0
CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1,CC#N,318.0
CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1,CCOCC,311.0
CN(C)c1ccc(C2=Nc3sc4cc(Cl)ccc4[n+]3[B-](F)(F)O2)cc1,C1CCOC1,430.0
CN(C)c1ccc(C2=Nc3sc4cc(Cl)ccc4[n+]3[B-](F)(F)O2)cc1,CC#N,426.0
CN(C)c1ccc(C2=Nc3sc4cc(Cl)ccc4[n+]3[B-](F)(F)O2)cc1,CC(C)=O,430.0
CN(C)c1ccc(C2=Nc3sc4cc(Cl)ccc4[n+]3[B-](F)(F)O2)cc1,Cc1ccccc1,427.0
CN(C)c1ccc(C2=Nc3sc4cc(Cl)ccc4[n+]3[B-](F)(F)O2)cc1,ClCCl,430.0
CN(C)c1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1,C1CCOC1,465.0
CN(C)c1ccc(C=Nc2ccc(C(=O)O)cc2)cc1,ClC(Cl)Cl,371.0
CN(C)c1ccc2c(-c3ccc(C(=O)NCCCCCC(=O)O)cc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1,CCO,544.0
CN(C)c1ccc2c(-c3ccc(CN4CCCC4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
CN(C)c1ccc2c(-c3ccc(F)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
CN(C)c1ccc2c(-c3cccc(CN4CCOCC4)c3)c3ccc(=[NH2+])cc-3oc2c1,O,530.0
CN(C)c1ccc2c(-c3ccccc3)c3ccc(=[NH2+])cc-3n(C)c2c1,O,485.0
CN(C)c1ccc2c(c1)CCCc1c-2[o+]c2c(c1-c1ccccc1C(=O)O)CCCc1cc(N(C)C)ccc1-2,CCO,592.0
CN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1,CCO,547.0
CN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1,O,547.5
CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,C1CCCCC1,487.0
CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,C1COCCO1,495.5
CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CC#N,507.5
CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CC(C)=O,507.0
CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CCCCCCC,483.0
CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CCO,513.0
CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CCOC(C)=O,501.0
CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CN(C)C=O,516.0
CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,CS(C)=O,522.5
CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,Cc1ccccc1,505.5
CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,ClC(Cl)Cl,517.0
CN(C)c1ccc2nc(/C=C/c3cc4c5c(c3)CCCN5CCC4)c(=O)oc2c1,ClCCl,514.5
CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,C1CCCCC1,439.5604396
CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,C1CCOC1,450.0450045
CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,CC#N,449.2362983
CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,CC(C)=O,450.4504505
CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,CCCCCl,448.4304933
CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,CCCCOCCCC,444.6420631
CN(C)c1ccc2nc3c(cc2c1)c(-c1ccccc1)nn3-c1ccccc1,CN(C)C=O,452.6935265
CN(C)c1cccc2c(S(=O)(=O)NCC(=O)O)cccc12,C1COCCO1,262.0
CN(C)c1cccc2c(S(=O)(=O)NCCN)cccc12,CN(C)C=O,339.0
CN(C)c1cccc2c(S(=O)(=O)NCCN)cccc12,CO,335.0
CN(CCN(C)c1ccc([N+](=O)[O-])c2nonc12)C(=O)CI,CO,478.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)CCCCCBr)cc2)cc1,CS(C)=O,428.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1,CS(C)=O,431.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)cc1,CS(C)=O,431.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1,CS(C)=O,431.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)cc1,CS(C)=O,431.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(F)c(F)cc3F)cc2)cc1,CS(C)=O,431.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)cc2)cc1,CS(C)=O,432.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1,CS(C)=O,432.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3F)cc2)cc1,CS(C)=O,431.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(F)c3F)cc2)cc1,CS(C)=O,432.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccccc3F)cc2)cc1,CS(C)=O,431.0
CN(CCO)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccno3)cc2)cc1,CS(C)=O,433.0
CN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,CO,487.0
CN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,OCC(O)CO,509.0
CN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,OCCO,498.0
CN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,Oc1ccccc1,548.0
CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cccc(C(F)(F)F)c2)C(C)(C)c2ccccc21,CCO,637.0
CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cccc(C(F)(F)F)c2)C(C)(C)c2ccccc21,CO,634.0
CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cccc(C(F)(F)F)c2)C(C)(C)c2ccccc21,CS(C)=O,642.0
CN1/C(=C/C=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2cccc(C(F)(F)F)c2)C(C)(C)c2ccccc21,O,633.0
CN1/C(=C2\C(=O)c3cc(Nc4ccc5c(c4)Sc4cc(/C=C(\C#N)C(=O)O)ccc4N5c4ccccc4)ccc3N2C)C(=O)c2ccccc21,CCO,565.0
CN1B(c2c(F)c(F)c(F)c(F)c2F)c2ccccc2-c2c1ccc1ccccc21,C1CCCCC1,367.0
CN1C(=CC2=C([O-])C(=CC3=[N+](C)c4ccccc4C3(C)C)C2=O)C(C)(C)c2cc(C(=O)O)ccc21,ClCCl,640.0
CN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3C)C2=C(C#N)C#N)C(C)(C)c2ccccc21,ClC(Cl)Cl,691.0
CN1C(=CC2=C([S-])C(=Cc3sc4ccccc4[n+]3C)C2=O)C(C)(C)c2ccccc21,ClC(Cl)Cl,661.0
CN1C(=CC=C2CC(C(C)(C)C)CC(C=CC3=C(C#N)C(=C(C#N)C#N)OC3(C)C)=C2Cl)C(C)(C)c2ccccc21,CN(C)C=O,843.0
CN1C(=CN=Nc2ccc(C=CC3=C(C#N)C(=C(C#N)C#N)OC3(C)C)cc2)C(C)(C)c2ccccc21,C1CCOC1,590.0
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CC#N,314.0
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CO,313.0
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,O,309.0
CN1CCOc2cc3c(cc21)Oc1cc2c(cc1=N3)OCC[N+]=2C,CO,644.0
CN1c2cc3c(cc2-c2ccsc2C1(C)C)C(c1ccccc1C(=O)[O-])=c1cc2c(cc1O3)=[N+](C)C(C)(C)c1sccc1-2,CO,581.0
CN1c2ccc(/C=C(\C#N)C(=O)O)cc2Sc2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc21,C1CCOC1,437.0
CN1c2ccccc2Sc2cc(C=Cc3ccc(N(c4ccc(C=Cc5ccc6c(c5)Sc5ccccc5N6C)cc4)c4ccc(C=Cc5ccc(C=Cc6ccc(N(c7ccc(C=Cc8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)c7ccc(C=Cc8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)cc6)c6nsnc56)cc4)cc3)ccc21,CN(C)C=O,430.0
CN1c2ccccc2Sc2cc3ccccc3c(/C=C(\C#N)C(=O)O)c21,C1CCOC1,363.0
CNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,C1CCCCC1,418.5
CNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CC(C)=O,395.5
CNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCO,397.0
CNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,CCOC(C)=O,398.5
CNC1=C2C=CC=[N+]2[B-](F)(F)n2cccc21,OCC(F)(F)F,393.0
CNc1cc2nc3cc(Cl)c(Cl)cc3nc2cc1NC,CCO,442.0
CNc1ccc2c3c(ccc2c1)C(c1ccccc1C(=O)[O-])=c1cc2c4c(c1O3)CCC[N+]=4CCC2,O,585.0
CNc1ncc2nc(C(=O)OC)n(Cc3ccccc3)c2n1,C1COCCO1,345.0
CNc1ncc2nc(C(=O)OC)n(Cc3ccccc3)c2n1,CC#N,345.0
CNc1ncc2nc(C(=O)OC)n(Cc3ccccc3)c2n1,CO,345.0
CNc1ncc2nc(C(=O)OC)n(Cc3ccccc3)c2n1,ClCCl,345.0
COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,C1COCCO1,385.0
COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CC#N,385.0
COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CC(C)O,390.0
COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CC1CCCCC1,375.0
COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CCCCCC,375.0
COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CCCCO,390.0
COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CCO,387.0
COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,CO,387.0
COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,ClCCl,390.0
COC(=O)/C=C/C=C/c1ccc(N(C)C)cc1,O,370.0
COC(=O)/C=C/c1nc2c(c(=O)n(C)c(=O)n2C)n1C,ClCCl,353.0
COC(=O)C1=C(C(=O)OC)C2(c3ccccc3-c3ccccc32)[C@@H](c2ccc([N+](=O)[O-])cc2)C=C2c3cc(OC)c(OC)cc3CCN21,ClCCl,310.0
COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,C1CCOC1,355.0
COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,CC#N,355.0
COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,CCCCCC,353.0
COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,CCOCC,353.0
COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,CO,357.0
COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,ClCCl,359.0
COC(=O)C1=C(C(=O)OC)C2=C[C@H]3c4ccccc4[C@]2(S1)c1ccccc13,c1ccccc1,356.0
COC(=O)C1=C(C(=O)OC)SC(=c2ccc3c(c2)C=CC2OC(c4ccccc4)(c4ccccc4)C=CC=32)S1,Cc1ccccc1,327.0
COC(=O)C1=NNC(C(=O)OC)=C2c3ccccc3C(=O)c3ccccc3C12,CC#N,391.0
COC(=O)C1CCN(c2ccc3c(N4CCCCC4)c4ccc(=[N+]5CCC(C(=O)OC)CC5)cc-4oc3c2)CC1,ClCCl,482.0
COC(=O)CCC1=CC(C#Cc2ccc(OC)cc2)=[N+]2C1=Cc1c(CCC(=O)OC)cc(C#Cc3ccc(OC)cc3)n1[B-]2(F)F,ClCCl,649.0
COC(=O)CCC1=CC(C#Cc2ccsc2)=[N+]2C1=Cc1c(CCC(=O)OC)cc(C#Cc3ccsc3)n1[B-]2(F)F,ClCCl,633.0
COC(=O)CN1C(=O)c2cccc3c(Nc4cccc(F)c4)ccc(c23)C1=O,CS(C)=O,442.0
COC(=O)CN1C(=O)c2cccc3c(Nc4cnccn4)ccc(c23)C1=O,CS(C)=O,425.0
COC(=O)COc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(N(C)C)cc4)c4c(C)cc(C)n4[B-]3(F)F)C(C)=C2)cc1,CO,566.0
COC(=O)c1c(C(=O)OC)c2ccc(-c3ccc(OC)cc3)nn2c1C(=O)OC,CO,445.0
COC(=O)c1c(C(=O)OC)c2ccc(-c3ccccc3)nn2c1C,C1CCCCC1,397.6
COC(=O)c1c(C(=O)OC)c2ccc(C#Cc3ccc(F)cc3)nn2c1C(=O)OC,CS(C)=O,467.0
COC(=O)c1c(C(=O)OC)c2cccnn2c1C(=O)c1ccc(F)cc1,C1CCCCC1,446.0
COC(=O)c1c(C=Cc2ccc(C=Cc3ccc(C)cc3)cc2)oc2cc3c(C(=O)OC)c(C=Cc4ccc(C=Cc5ccc(C)cc5)cc4)oc3cc12,ClCCl,447.0
COC(=O)c1cc(=O)n(C)c2cc(-c3cc(OC)c(OC)c(OC)c3)sc12,CC#N,398.0
COC(=O)c1cc(=O)n(C)c2cc(-c3cc(OC)c(OC)c(OC)c3)sc12,ClCCl,400.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(N4CCN(C)CC4)cc3)sc12,CC#N,418.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(N4CCN(C)CC4)cc3)sc12,ClCCl,420.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,C1CCOC1,402.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,CC#N,396.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,CCO,400.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,CN(C)C=O,402.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,CO,396.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,CS(C)=O,404.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,Cc1ccccc1,402.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,ClC(Cl)Cl,400.0
COC(=O)c1cc(=O)n(C)c2cc(-c3ccc(OC)cc3)sc12,ClCCl,400.0
COC(=O)c1cc2c3ccccc3n(C)c2c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)n1,ClC(Cl)Cl,394.29
COC(=O)c1cc2c3ccccc3n(C)c2c(Cn2c(-c3nc(C(=O)OC)cc4c5ccccc5n(C)c34)nc3ccccc32)n1,ClC(Cl)Cl,353.71
COC(=O)c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,370.0
COC(=O)c1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)cc1,CO,562.0
COC(=O)c1ccc(/C=C2\C=C(c3ccc(OC)c(OC)c3)NC2=O)cc1,C1COCCO1,454.0
COC(=O)c1ccc(C(=O)NC(C)(C)C)c2c1ccc1c3ccccc3c3ccccc3c12,ClCCl,336.0
COC(=O)c1ccc(C(=O)OC)nc1,CC#N,512.0
COC(=O)c1cccc(-c2ccc(-c3oc4c(C)c5c(-c6ccc(-c7cccc(C(=O)OC)c7)cc6)c(-c6ccc(-c7cccc(C(=O)OC)c7)cc6)oc5c(C)c4c3-c3ccc(-c4cccc(C(=O)OC)c4)cc3)cc2)c1,ClCCl,262.0
COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2c1ccc1cccc(N)c12,O,598.0
COC(=O)c1nc(-c2cccc3ccccc23)oc1C,C1CCCCC1,318.0
COC(=O)c1nc(-c2cccc3ccccc23)oc1C,CC#N,308.0
COC(=O)c1nc(-c2cccc3ccccc23)oc1C,CCO,309.0
COC(=O)c1nc(-c2cccc3ccccc23)oc1C,CCOC(C)=O,317.0
COC(=O)c1nc2c(N)nc(N(C)C)nc2n1Cc1ccccc1,C1COCCO1,340.0
COC(=O)c1nc2c(N)nc(N(C)C)nc2n1Cc1ccccc1,CC#N,342.0
COC(=O)c1nc2c(N)nc(N(C)C)nc2n1Cc1ccccc1,CO,345.0
COC(=O)c1nc2c(N)nc(N(C)C)nc2n1Cc1ccccc1,ClCCl,338.0
COC(=O)c1oc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(C)C=C(C)C2=C3)nc1C,CO,561.0
COC(C)(C)CC=CC(C)CC=CC(C)=CC=CC(C)=CCCC=C(C)C=CC=C(C)CCC=C(C)CCCC(C)C,CCO,720.0
COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CC#N,510.0
COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CCCCCC,513.0
COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CCOC(C)=O,512.0
COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1,CO,511.0
COC1=[N+]2C(=C(c3ccccc3)c3ccc(OC)n3[B-]2(F)F)C=C1,ClCCl,515.0
COCC1COc2c(C=C(C#N)C(=O)O)sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2O1,ClC(Cl)Cl,496.0
COCCC1=Cc2nc1ccc1[nH]c(c3nc(ccc4[nH]c2cc4CCOC)C(CCOC)=C3)c2c(C(=O)OC)c(C(=O)O)ccc12,Cc1ccccc1,636.0
COCCC1=Cc2nc1ccc1[nH]c(cc1CCOC)c1nc(c(N3C(=O)CCCC3=O)cc3[nH]c2cc3CCOC)C(CCOC)=C1,Cc1ccccc1,640.0
COCCOCCOCCN1C(=O)C2=C(c3ccc(OC)cc3)N(CCOCCOCCOC)C(=O)C2=C1c1ccc(OC)cc1,ClCCl,475.0
COCCOCCOCCN1C(=O)C2=C(c3ccc(OC)cc3)N(CCOCCOCCOC)C(=O)C2=C1c1ccc(OC)cc1,O,473.0
COCCOCCOCCOC1=NC2(C(C#N)=C(N)Oc3ccccc32)C(c2ccc(N(C)C)cc2)=C1C#N,C1CCOC1,411.0
COCCOCCOCCOC1=NC2(C(C#N)=C(N)Oc3ccccc32)C(c2ccc(N(C)C)cc2)=C1C#N,CS(C)=O,428.0
COCCOCCOCCOCC(COCCOCCOCCOC)Oc1cc(/C=C/c2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2)c(OC(COCCOCCOCCOC)COCCOCCOCCOC)cc1/C=C/c1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1,ClCCl,461.0
COCCOCCOCCOCC(COCCOCCOCCOC)Oc1cc(/C=C/c2ccc(/C=C(\C#N)c3ccc(C(F)(F)F)cc3)cc2)c(OC(COCCOCCOCCOC)COCCOCCOCCOC)cc1/C=C/c1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)cc1,ClCCl,439.0
COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCS(=O)(=O)[O-])C(C)(C)C2CC(S(=O)(=O)[O-])=CC=C21,O,651.0
COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3C2(C)C)C(C)(CCCS(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])ccc21,O,663.0
COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4c3C2(C)CCCS(=O)(=O)[O-])C(C)(C)c2c1ccc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc21,O,679.0
COCC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,O,551.0
COCC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCS(=O)(=O)O)C(C)(C)c2cc(S(=O)(=O)O)ccc21,O,554.0
CO[B-]1(OC)n2c(C)cc(C)c2C(c2ccc(I)cc2)=C2C(C)=CC(C)=[N+]21,ClC(Cl)Cl,505.0
COc1c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc(C(C)(C)C)cc1C(C)(C)C,CS(C)=O,557.0
COc1c(C(C)(C)C)cc(N(c2ccc(C#C/C3=c4\cc/c5n4[Zn]n4c(ccc4/C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)=C4/C=CC3=N4)/C(C#Cc3ccc(C(=O)O)cc3)=C3/C=CC(=N3)/C=5c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc1C(C)(C)C,C1CCOC1,671.0
COc1c(C)cc(-c2c3ccc(=[NH2+])cc-3oc3cc(N4CCCCC4)ccc23)cc1C,O,530.0
COc1c(C)ccc2cccnc12,CO,410.0
COc1c(C=Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)s3)s2)cc1C=Cc1ccc(-n2c3ccccc3c3ccccc32)cc1,C1CCOC1,443.0
COc1c2ccccc2c(OC)c2c(C#Cc3ccccc3)c3cc4ccccc4cc3c(C#Cc3ccccc3)c12,ClCCl,704.0
COc1c2ccccc2c(OC)c2c1c1ccc(F)cc1n2C,C1CCCCC1,395.0
COc1c2ccccc2c(OC)c2c1c1ccc(F)cc1n2C,CC#N,398.0
COc1c2ccccc2c(OC)c2c1c1ccc(F)cc1n2C,CO,396.0
COc1c2ccccc2c(OC)c2c1c1ccc(F)cc1n2C,ClCCl,398.0
COc1cc(/C2=C3\C=CC(=N3)/C(c3cc(OC)c(OC)c(OC)c3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,CN(C)C=O,606.0
COc1cc(/C=C/CO)ccc1O,O,295.0
COc1cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)ccc1OCCBr,CS(C)=O,566.0
COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(C)n1,C1CCOC1,421.0
COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(C)n1,CC#N,418.0
COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(C)n1,ClC(Cl)Cl,425.0
COc1cc(/C=C/c2nc3ccccc3o2)c(OC)cc1/C=C/c1nc(C)nc(C)n1,ClCCl,420.0
COc1cc(/C=C/c2ncc(-c3ccncc3)o2)cc(OC)c1OC,ClCCl,352.0
COc1cc(Br)cc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1OC,CS(C)=O,557.0
COc1cc(C)c(-c2cc(-c3c(C)cc(OC)cc3C)c3ccc4c(-c5c(C)cc(OC)cc5C)cc(-c5c(C)cc(OC)cc5C)c5ccc2c3c54)c(C)c1,ClCCl,367.0
COc1cc(C=Cc2cc(OC)c(N(c3ccccc3)c3ccccc3)cc2OC)c(OC)cc1C=Cc1cc(OC)c(C=C(C#N)C(=O)O)cc1OC,CCO,304.0
COc1cc(C=Cc2ccc([N+](=O)[O-])cc2)ccc1OCCO,CO,397.0
COc1cc(F)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1OC,CS(C)=O,557.0
COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,C1COCCO1,464.0
COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CC#N,477.0
COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CC(C)=O,470.0
COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CCOC(C)=O,468.0
COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CN(C)C=O,469.0
COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,CO,471.0
COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,Cc1ccccc1,471.0
COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,ClC(Cl)Cl,480.0
COc1cc(N(c2ccccc2)c2ccc(C=C(C#N)C#N)c(OC)c2)ccc1C=C(C#N)C#N,ClCCl,479.0
COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,C1COCCO1,436.0
COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,CC#N,440.0
COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,CC(C)=O,440.0
COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,CCOC(C)=O,439.0
COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,CN(C)C=O,445.0
COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,CO,442.0
COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,Cc1ccccc1,443.0
COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,ClC(Cl)Cl,449.0
COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N,ClCCl,446.0
COc1cc(NC2=CC3=c4cc(Nc5cc(OC)cc(OC)c5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(Nc7cc(OC)cc(OC)c7)cc(c4c65)C4=CC(Nc5cc(OC)cc(OC)c5)=C5N=C(C(F)(F)C(F)(F)C(F)(F)F)N=C2C5C43)cc(OC)c1,C1CCOC1,668.0
COc1cc(O)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(OC)c1,CS(C)=O,579.0
COc1cc(OC)c(/C=C/c2ccc(-c3ccc(-c4ccc(/C=C(/C#N)C(=O)O)s4)s3)s2)c(OC)c1,CN(C)C=O,545.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,C1CCOC1,320.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,C1COCCO1,317.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CC#N,317.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CCCCCCCCCCCCO,327.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CCCCCCCCCCO,329.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CCCCCCCCO,329.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CCCCCCO,329.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CCCCO,329.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CCOC(C)=O,317.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CN(C)C=O,317.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CO,326.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,CS(C)=O,320.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,O,329.0
COc1cc(OC)c2c3c([nH]c2c1)C(=O)CCC3,c1ccccc1,321.0
COc1cc(OC)cc(C2=[O+][B-](F)(F)OC(c3cccs3)=C2)c1,ClCCl,391.0
COc1cc2c(=O)c(CCc3ccccc3)coc2cc1O,O,346.0
COc1cc2c(C=O)cc(=O)oc2c2ccccc12,CCO,377.0
COc1cc2c(CCl)cc(=O)oc2c2ccccc12,CCO,379.0
COc1cc2c(COC(=O)NCCC(=O)O)cc(=O)oc2c2ccccc12,CCO,373.0
COc1cc2c(cc1-c1ccc(C)cc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccc(C)cc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,411.0
COc1cc2c(cc1-c1ccc(N(c3ccccc3)c3ccccc3)cc1)Cc1c3c(c4c(c1-2)-c1cc(OC)c(-c2ccc(N(c5ccccc5)c5ccccc5)cc2)cc1C4)C(=O)N(CCC(C)C)C3=O,C1CCOC1,428.0
COc1cc2c(cc1F)c(=O)c1cc(F)c(OC)cc1n2Cc1ccccc1,CCO,381.0
COc1cc2c(cc1OC)C1=C[C@H](c3ccc(C)cc3)C3(C(C#N)=C(C#N)N1CC2)c1cc(Br)ccc1-c1ccc(Br)cc13,ClCCl,315.0
COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2c(OC)c1OC)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5cc(OC)c(OC)c(OC)c5c5c(OC)c(OC)c(OC)cc5c4n2[B-]1(F)F)C=3,C1CCCCC1,733.0
COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2c(OC)c1OC)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5cc(OC)c(OC)c(OC)c5c5c(OC)c(OC)c(OC)cc5c4n2[B-]1(F)F)C=3,C1CCOC1,730.0
COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2c(OC)c1OC)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5cc(OC)c(OC)c(OC)c5c5c(OC)c(OC)c(OC)cc5c4n2[B-]1(F)F)C=3,CC#N,718.0
COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2c(OC)c1OC)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5cc(OC)c(OC)c(OC)c5c5c(OC)c(OC)c(OC)cc5c4n2[B-]1(F)F)C=3,Cc1ccccc1,740.0
COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2c(OC)c1OC)=[N+]1C(=C(c2c(C)cc(C)cc2C)c2cc4c5cc(OC)c(OC)c(OC)c5c5c(OC)c(OC)c(OC)cc5c4n2[B-]1(F)F)C=3,ClCCl,727.0
COc1cc2cc(/C=C/c3ccc(C=C(C#N)C(=O)O)cc3)c(=O)oc2cc1OC,CC#N,400.0
COc1cc2nc3c(cnc4ccc(-c5ccc(C=C(C#N)C(=O)O)cc5)cc43)cc2c(OC)c1OC,ClCCl,389.0
COc1ccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c(OC)c1,CC#N,401.0
COc1ccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c(OC)c1,CO,401.0
COc1ccc(-c2[nH]c(=O)n3c2-c2ccccc2C3=O)c(OC)c1,ClCCl,406.0
COc1ccc(-c2c(-c3ccc(C)cc3)c3n(c2-c2ccc(C)cc2)[B-](F)(F)[N+]2=C(c4ccc(C)cc4)C(/C=C/C(=O)OC4CC[C@@]5(C)C(=CC[C@@H]6[C@@H]5CC[C@@]5(C)[C@H]6CC[C@@H]5[C@H](C)CCCC(C)C)C4)=C(c4ccc(C)cc4)C2=N3)cc1,ClC(Cl)Cl,662.0
COc1ccc(-c2c(C#N)c3ccccn3c2N)cc1,CN(C)C=O,393.0
COc1ccc(-c2c3cc4cc(C)sc4cc3c(-c3ccc(OC)cc3)c3cc4cc(C)sc4cc23)cc1,ClCCl,500.0
COc1ccc(-c2c3cc4ccccc4cc3c(C#Cc3ccccc3)c3cc4cc(C)sc4cc23)cc1,ClCCl,580.0
COc1ccc(-c2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1,CCO,561.0
COc1ccc(-c2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1,ClCCl,562.0
COc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)cc1,O,500.0
COc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OC)c(OCCCC(=O)O)c4)c4nc(cc5ccc2[nH]5)CC4)CC3)cc1OCCCC(=O)O,CS(C)=O,736.0
COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,C1CCOC1,339.0
COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CC#N,338.0
COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CC(C)=O,340.0
COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CCCCCC,334.0
COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CCOC(C)=O,335.0
COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CN(C)C=O,343.0
COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CO,338.0
COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,CS(C)=O,344.0
COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(OC)n2)cc1,ClC(Cl)Cl,341.0
COc1ccc(-c2cc(-c3ccc(N(C)C)cc3)nc(-c3ccccc3)n2)cc1,ClC(Cl)Cl,365.0
COc1ccc(-c2cc(OC)cc3c2n[n+](-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(OC)ccc32)cc1,ClCCl,519.0
COc1ccc(-c2cc3c(ccc(=O)n3C)s2)cc1,CC#N,376.0
COc1ccc(-c2cc3c(ccc(=O)n3C)s2)cc1,ClCCl,378.0
COc1ccc(-c2cc3c(ccc4sc5ccc6sc(-c7ccc(C(C)=O)cc7)cc6c5c43)s2)cc1,ClCCl,380.0
COc1ccc(-c2cc3c(s2)=CC2=C(C(F)(F)F)c4cc5sc(-c6ccc(OC)cc6)cc5n4[B-](F)(F)[N+]=32)cc1,C1CCOC1,730.0
COc1ccc(-c2cc3c(s2)=CC2=C(C(F)(F)F)c4cc5sc(-c6ccc(OC)cc6)cc5n4[B-](F)(F)[N+]=32)cc1,ClC(Cl)Cl,731.0
COc1ccc(-c2ccc(C(=O)NC(C)(C)C)c3c2ccc2c4ccccc4c4ccccc4c23)cc1,ClCCl,339.0
COc1ccc(-c2ccnc3nc(NC(C)=O)ccc23)cc1,O,327.0
COc1ccc(-c2ccnc3ncnn23)cc1OC,ClCCl,339.0
COc1ccc(-c2cn3ccc(C=Cc4ccc(N(C)C)cc4)cc3n2)cc1,O=C(O)C(F)(F)F,465.0
COc1ccc(-c2cnn(-c3ccc(OC)cc3)n2)cc1,CO,284.0
COc1ccc(-c2nc(O)c(-c3ccccc3O)s2)cc1,C1COCCO1,357.0
COc1ccc(-c2nc3c(-c4ccc(C=C(C#N)C(=O)O)cc4)cnc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3nc2-c2ccc(OC)cc2)cc1,ClCCl,506.0
COc1ccc(-c2nc3c([nH]2)=C2C=C(Cl)S[C@@]2(C)[C@]2(C)SC(Cl)=CC=32)cc1,CC#N,295.0
COc1ccc(-c2nc3ccccc3nc2-c2ccc(OC)cc2)cc1,ClC(Cl)Cl,368.0
COc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1,CS(C)=O,365.0
COc1ccc(-c2ncc3ccccn23)cc1,ClC(Cl)Cl,306.0
COc1ccc(-c2nnc(-c3ccn4c(C)nc(Cl)c4c3)o2)cc1,ClCCl,305.0
COc1ccc(-c2oc3cccc4c5c(-c6ccc(OC)c(OC)c6)/c(=N/S(=O)(=O)C(F)(F)F)oc6cccc(c2c34)c65)cc1OC,ClC(Cl)Cl,485.0
COc1ccc(-c2sc(/C=C3/SC(=O)N(CC(=O)O)C3=S)c3c2OCCO3)c(OC)c1OC,CN(C)C=O,450.0
COc1ccc(-c2sc(C=C(C#N)c3cccs3)c3c2OCCO3)cc1,ClCCl,435.0
COc1ccc(-n2c3ccccc3c3cc(-c4cc5sc6cc(C=C(C#N)C(=O)O)sc6c5s4)ccc32)cc1,C1COCCO1,428.0
COc1ccc(-n2c3ccccc3c3cc(-c4cc5sc6cc(C=C(C#N)C(=O)O)sc6c5s4)ccc32)cc1,CCO,428.0
COc1ccc(-n2cc3ccccc3c/c2=N/S(=O)(=O)c2ccc(C)cc2)cc1,CC#N,434.0
COc1ccc(-n2ncc(-c3ccc(Cl)cc3)n2)cc1,CO,285.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,C1CCCCC1,340.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,C1CCOC1,344.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,C1COCCO1,341.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CC#N,338.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CC(C)(C)O,346.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CC(C)O,343.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCCCCC,338.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCCCO,344.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCO,343.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CCOC(C)=O,341.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CN(C)C=O,346.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CO,342.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,CS(C)=O,347.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,ClC(Cl)Cl,339.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,ClCCl,335.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,O,343.0
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1,OCCO,343.0
COc1ccc(/C=c2\o/c(=C\c3ccccc3)c3ccccc23)cc1OC,ClCCl,380.0
COc1ccc(C#Cc2ccc(N(c3ccc(C#Cc4ccc(C=C(C#N)C(=O)O)cc4)cc3)c3ccc(C#Cc4ccc(OC)cc4)cc3)cc2)cc1,ClC(Cl)Cl,435.0
COc1ccc(C#Cc2ccc(N(c3ccc(C#Cc4ccc(OC)nn4)cc3)c3ccc(C#Cc4ccc(OC)nn4)cc3)cc2)nn1,ClCCl,375.0
COc1ccc(C#Cc2ncc(-c3ccccc3)o2)cc1OC,ClCCl,330.0
COc1ccc(C2=C(c3cc(OC)cc(OC)c3)C(c3ccc(OC)cc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(-c4cc(OC)cc(OC)c4)c(-c4ccc(OC)cc4)n2[B-]3(F)F)cc1,Cc1ccccc1,683.0
COc1ccc(C2=C(c3ccc(-c4ccccc4)cc3)C(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,656.0
COc1ccc(C2=C(c3ccc(OC)cc3)C(C)(C)c3cc(-c4ccccc4)ccc32)cc1,C1CCCCC1,305.0
COc1ccc(C2=C(c3ccc(OC)cc3)C(C)(C)c3ccc4ccccc4c32)cc1,C1CCCCC1,336.0
COc1ccc(C2=C(c3ccc(OC)cc3)C(c3ccccc3)=[N+]3C2=Nc2c(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)c(-c4ccccc4)n2[B-]3(F)F)cc1,Cc1ccccc1,654.0
COc1ccc(C2=C(c3ccc(OC)cc3)N3C(=C(c4ccc(OC)cc4)c4cccc5c(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)[o+]c3c45)c3ccc(OC)cc32)cc1,ClCCl,492.0
COc1ccc(C2=C3C(/C=C/c4cc(OC)c(OC)c(OC)c4)=C(C=O)C(C)=[N+]3[B-](F)(F)n3c(/C=C/c4cc(OC)c(OC)c(OC)c4)c(C=O)c(C=Cc4cc(OC)c(OC)c(OC)c4)c32)cc1,ClCCl,634.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,C1CCCCC1,597.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,C1CCOC1,600.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,C1COCCO1,602.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CC#N,597.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CC(C)=O,597.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CC(C)OC(C)C,594.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CC1CCCCC1,597.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CCC#N,598.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CCCC#N,600.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CCCCO,601.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CCCCOCCCC,596.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CCOC(C)=O,596.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CCOCC,593.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CN(C)C=O,607.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CO,596.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,CS(C)=O,610.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,Cc1ccccc1,607.0
COc1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(/C=C/c4ccc(N(C)C)cc4)cc(C)c32)cc1,ClC(Cl)Cl,605.0
COc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,C1CCCCC1,583.5
COc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,CCOC(C)=O,578.0
COc1ccc(C2=C3C=c4c(oc5ccccc45)=[N+]3[B-](F)(F)n3c2cc2c4ccccc4oc23)cc1,CO,576.5
COc1ccc(C2=Cc3c(-c4ccc(OC)cc4)cc[n+]4cccc(c34)O2)cc1,ClCCl,407.0
COc1ccc(C2=[N+]3C(=C(c4ccc(C(=O)OCc5ccccc5)cc4)c4cc(Cl)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2Cl)cc1,C1CCOC1,594.0
COc1ccc(C2=[N+]3C(=C(c4ccc(C(=O)OCc5ccccc5)cc4)c4cc(Cl)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2Cl)cc1,CC#N,583.0
COc1ccc(C2=[N+]3C(=C(c4ccc(C(=O)OCc5ccccc5)cc4)c4cc(Cl)c(-c5ccc(OC)cc5)n4[B-]3(F)F)C=C2Cl)cc1,Cc1ccccc1,604.0
COc1ccc(C2=[N+]3C(=Nc4c(-c5cc(OC)c(OC)c(OC)c5)cc(-c5ccc(OC)cc5)n4[B-]3(F)F)C(c3cc(OC)c(OC)c(OC)c3)=C2)cc1,Cc1ccccc1,698.0
COc1ccc(C2CC(=O)Oc3c2c2nc4ccccc4nc2c2ccccc32)cc1,ClC(Cl)Cl,406.0
COc1ccc(C2CC(c3ccccc3)=NN2c2cccc(S(=O)(=O)c3cccc(N4N=C(c5ccccc5)CC4c4ccc(OC)cc4)c3)c2)cc1,ClCCl,346.0
COc1ccc(C=Cc2c(F)c(F)c(C=Cc3ccc(OC)cc3)c(F)c2F)cc1,ClCCl,329.0
COc1ccc(C=Cc2cc(C=Cc3ccc(OC)cc3)nc(I)n2)cc1,ClCCl,374.0
COc1ccc(C=c2c(O)c3ccccc3c3c2=Nc2ccccc2N3)c(OC)c1,C1CCOC1,552.0
COc1ccc(CNc2ncnc3[nH]c(C=Cc4ccc(C#N)cc4)nc23)cc1,CS(C)=O,371.0
COc1ccc(F)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1,CS(C)=O,555.0
COc1ccc(N(/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C3/C=CC2=N3)/C(C#Cc2ccc(C(=O)O)cc2)=C2/C=CC(=N2)/C=4c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(OC)cc2)cc1,CCO,664.0
COc1ccc(N(c2ccc(/C=C/c3nc4ccc(/C=C(\C#N)C(=O)O)cc4s3)cc2)c2ccc(OC)cc2)cc1,ClC(Cl)Cl,476.0
COc1ccc(N(c2ccc(C#Cc3ccc(N(c4ccc(C#Cc5ccc(C=C(C#N)C(=O)O)cc5)cc4)c4ccc(C#Cc5ccc(/C=C(/C#N)C(=O)O)cc5)cc4)cc3)cc2)c2ccc(OC)cc2)cc1,ClC(Cl)Cl,445.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(/C=C5\NC(=O)NC5=O)s4)c4nsnc34)cc2)cc1,ClC(Cl)Cl,515.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc5nc6ccccc6c(=O)n5c4)cc3)cc2)cc1,ClCCl,367.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(C=C(C#N)C#N)cc3)cc2)cc1,ClC(Cl)Cl,483.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,C1CCOC1,477.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,CCCCCC,468.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,CCOC(C)=O,472.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,CCOCC,472.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,Cc1ccccc1,481.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,ClC(Cl)(Cl)Cl,483.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)cc1,ClCCl,485.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3sc(-c4ccc(C=C(C#N)C(=O)O)s4)nc3OC)cc2)cc1,C1CCOC1,505.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc(C3CC4C(=C5SC(c6ccc(C=C(C#N)C(=O)O)s6)CC5C5C6CCCC5OCCCCCCOC5CCCC(OCCCCCCO6)C54)S3)cc2)cc1,ClCCl,556.0
COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)-c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2C3=Cc2ccc(-c3ccc(C=C(C#N)C(=O)O)s3)s2)cc1,ClCCl,513.0
COc1ccc(N=Nc2nc3ccccc3s2)cc1,CO,370.0
COc1ccc(O)c(-c2nc3ncccc3o2)c1,CO,362.0
COc1ccc(O)c(C=O)c1,CO,359.0
COc1ccc(O)c(C=O)c1,ClC(Cl)Cl,364.0
COc1ccc(OC)cc1,C1CCCCC1,286.2049227
COc1ccc([N+](=O)[O-])c(-c2cc3n(c2)[B-](F)(F)[N+]2=CC=CC2=C3c2ccccc2)c1,ClCCl,517.0
COc1ccc([N+](=O)[O-])cc1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,559.0
COc1ccc2c(-c3nc(-c4ccccc4)no3)cc(=O)oc2c1,CCO,344.0
COc1ccc2c(-c3nc(-c4ccccc4)no3)cc(=O)oc2c1,ClC(Cl)Cl,345.0
COc1ccc2c(-c3nc(-c4ccccc4F)no3)cc(=O)oc2c1,CCO,333.0
COc1ccc2c(-c3nc(-c4ccccc4F)no3)cc(=O)oc2c1,ClC(Cl)Cl,339.0
COc1ccc2c(COc3ccccc3/C=N/N=C/c3ccccc3OCc3cc(=O)oc4cc(OC)ccc34)cc(=O)oc2c1,C1CCOC1,319.0
COc1ccc2c(c1)-c1nc(-c3ccccc3)c3ccccc3[n+]1[B-](F)(F)O2,Cc1ccccc1,434.0
COc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)[n+]1c3ccccc3c(-c3ccccc3)c(-c3ccccc3)c21,ClCCl,444.0
COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2c(C(=O)NC(C)(C)C)ccc(C(=O)NC(C)(C)C)c2c2c3ccc(OC)cc3c3cc(OC)ccc3c21,ClCCl,414.0
COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)ccc1P2(=O)c1ccccc1,Cc1ccccc1,369.0
COc1ccc2c(c1)c1ccc3cccc4c5cccc6oc(=O)c2c(c65)c1c34,C1CCOC1,425.0
COc1ccc2c(c1)oc1c3cccc4c3c(cc21)C(=O)N(c1c(C)cccc1C)C4=O,CC#N,359.0
COc1ccc2c(c1)oc1c3cccc4c3c(cc21)C(=O)N(c1c(C)cccc1C)C4=O,CS(C)=O,363.0
COc1ccc2c(c1)oc1c3cccc4c3c(cc21)C(=O)N(c1c(C)cccc1C)C4=O,Cc1ccccc1,358.0
COc1ccc2c(c1)oc1c3cccc4c3c(cc21)C(=O)N(c1c(C)cccc1C)C4=O,ClCCl,361.0
COc1ccc2c3c(c4ccc(OC)cc4c2c1)C(C)(C)c1ccccc1-3,C1CCCCC1,388.0
COc1ccc2c3ccc(OC)cc3n(-c3ccc(-c4nnc(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)o4)cc3)c2c1,Cc1ccccc1,319.0
COc1ccc2c3ccc(OC)cc3n(-c3ccc(-c4nnc(C)o4)cc3)c2c1,Cc1ccccc1,319.0
COc1ccc2cc(-c3c4ccc(=[NH2+])cc-4oc4cc(N)ccc34)ccc2c1,O,500.0
COc1ccc2cc(-c3c4ccc(=[NH2+])cc-4oc4cc5n(c34)CCCCCC=C5)ccc2c1,O,535.0
COc1ccc2cc(-c3ccccc3CC#N)c(=O)oc2c1,ClC(Cl)Cl,336.0
COc1ccc2cc(-c3sc(C=C(C#N)c4cccs4)c4c3OCCO4)ccc2c1,ClCCl,377.0
COc1ccc2cc(/C=C/c3cc[nH+]c4ccccc34)ccc2c1,ClC(Cl)Cl,427.0
COc1ccc2cc(C(=O)O)c(=O)oc2c1,O,336.0
COc1ccc2cc(C3=[N+]4C(=Nc5c(-c6ccccc6)cc(-c6ccc7cc(OC)ccc7c6)n5[B-]4(F)F)C(c4ccccc4)=C3)ccc2c1,ClC(Cl)Cl,706.0
COc1ccc2cc(C3=[N+]4C(=Nc5c(-c6ccccc6)cc(-c6ccc7cc(OC)ccc7c6)n5[B-]4(F)F)C(c4ccccc4)=C3)ccc2c1,ClCCl,706.0
COc1ccc2cc(C3=[N+]4C(=Nc5c(-c6ccccc6)cc(-c6ccc7cc(OC)ccc7c6)n5[B-]4(F)F)C(c4ccccc4)=C3Br)ccc2c1,ClC(Cl)Cl,695.0
COc1ccc2cc(C3=[N+]4C(=Nc5c(-c6ccccc6)cc(-c6ccc7cc(OC)ccc7c6)n5[B-]4(F)F)C(c4ccccc4)=C3Br)ccc2c1,ClCCl,695.0
COc1ccc2nc(N=Nc3c(C)[nH]c4ccccc34)sc2c1,ClC(Cl)Cl,504.0
COc1ccc2nc(N=Nc3ccc(O)c4ncccc34)sc2c1,CS(C)=O,506.0
COc1ccc2nc3c(nc2c1)c(-c1ccccc1)nn3C,C1CCCCC1,431.0
COc1ccc2nc3c(nc2c1)c(-c1ccccc1)nn3C,C1CCOC1,435.0
COc1ccc2nc3c(nc2c1)c(-c1ccccc1)nn3C,CC#N,434.0
COc1ccc2nc3nc(-c4ccc([N+](=O)[O-])cc4)ccc3cc2c1,CC(C)=O,394.0
COc1ccc2nn(C)c(-c3ccc(C(C)=O)o3)c2c1,CC#N,363.0
COc1ccc2nn(C)c(-c3ccc(C(C)=O)o3)c2c1,ClCCl,368.0
COc1cccc(-c2c3oc4ccccc4c3cc3c2c2ccccc2n3C)c1,CCO,330.0
COc1cccc(-n2cccc2)c1,ClC(Cl)Cl,320.0
COc1cccc(Nc2nc3cc4c(C)c(C(N)=O)c(=O)oc4cc3n2CCc2ccc(Cl)cc2)c1,CCO,354.0
COc1cccc(OC)c1-c1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,ClCCl,565.0
COc1cccc2c1-c1ccccc1C2=O,C1CCCCC1,420.0
COc1cccc2c1-c1ccccc1C2=O,CC#N,432.0
COc1cccc2c1-c1ccccc1C2=O,CCO,432.0
COc1cccc2c1c1ncc3cccc2n31,CO,438.0
COc1ccccc1-c1c(-c2ccccc2O)nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(C)cc1,C1CCOC1,313.0
COc1ccccc1-c1c(-c2ccccc2O)nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(C)cc1,CC(C)O,311.0
COc1ccccc1-c1c(-c2ccccc2O)nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(C)cc1,CO,309.0
COc1ccccc1-c1c(-c2ccccc2O)nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(C)cc1,CS(C)=O,315.0
COc1ccccc1-c1c(-c2ccccc2O)nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(C)cc1,ClC(Cl)Cl,314.0
COc1ccccc1-c1c(-c2ccccc2O)nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(C)cc1,ClCCl,313.0
COc1ccccc1-c1c2c(n3ccc(-c4ccccc4)cc13)C(=O)N(C(C)CO)C2,ClCCl,381.0
COc1ccccc1-c1cc(-c2ccc(N)cc2)[o+]c(-c2ccc(N)cc2)c1,CCO,582.0
COc1ccccc1-c1nc2c([nH]1)C1=CC(=O)S[C@]1(C)[C@@]1(C)SC(=O)C=C21,CC#N,390.0
COc1ccccc1C1=C2C=CC(=[N+]3CCCC3)C=C2P(=O)(c2ccccc2)c2cc(N(C)C)ccc21,O,706.0
COc1ccccc1C1=[N+]2C(=C(c3ccccc3)c3c4c(c(-c5ccccc5OC)n3[B-]2(F)F)C2CCC4CC2)C2=C1C1CCC2CC1,ClCCl,550.0
COc1ccccc1C1=[N+]2C(=C(c3ccccc3)c3c4ccccc4c(-c4ccccc4OC)n3[B-]2(F)F)c2ccccc21,ClCCl,617.0
COc1ccccc1C=O,ClCCl,378.0
COc1ccn2c3c(c(-c4ccc(Br)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,325.0
COc1ccn2c3c(c(-c4ccc(C#N)cc4)c2c1)CN(CCNC(=O)OC(C)(C)C)C3=O,ClCCl,344.0
COc1ccn2c3c(c(-c4ccc(N(C)C)cc4)c2c1)CN(C(C)CO)C3=O,ClCCl,311.0
COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,CC#N,407.0
COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,CC(C)=O,408.0
COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,CCO,409.0
COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,CN(C)C=O,410.0
COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,CO,407.0
COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,CS(C)=O,410.0
COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,ClC(Cl)Cl,433.0
COc1cnc(-c2cc[n+](C3=C(F)C(F)(F)C(F)(F)[C-]3F)cc2)s1,ClCCl,430.0
COc1ncccc1-c1ccc2c(c1)c1ccccc1n2Cn1c2ccccc2c2cc(-c3cccnc3OC)ccc21,C1CCOC1,283.0
CS(=O)(=O)c1ccc(-c2ccc(C3=C4C(=O)NC(c5ccc(-c6ccc(S(C)(=O)=O)cc6)cc5)=C4C(=O)N3)cc2)cc1,ClCCl,540.0
CSC1=C(SC)SC(=Cc2ccc(N(c3ccccc3)c3ccc(/C=C(\C#N)C(=O)O)cc3)cc2)S1,CO,413.0
CSc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(N4CCCCC4)ccc23)cc1,O,535.0
CSc1ccc(-c2c3ccc(=[NH2+])cc-3oc3cc(O)ccc23)cc1,O,500.0
CSc1ccc(/C=C/c2ccncn2)cc1,ClCCl,346.0
CSc1nccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(/C=C/c4ccnc(SC)n4)cc3)cc2)n1,ClCCl,430.0
CSc1ncccc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)CCO)cc2)cc1,CS(C)=O,431.0
C[C@@]12SC(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)=CC1=C1CCCC1=C1C=C(C(=O)O)S[C@]12C,ClCCl,574.0
C[C@H](N)C(=O)O,CS(C)=O,723.0
C[C@H]1CC(C)(C)N(C)c2ccc(-c3cc4sc5cc(/C=C(\C#N)C(=O)O)sc5c4s3)cc21,CCO,444.0
C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCOCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,CCO,610.0
C[N+]1=C(/C=C/C2=C3Oc4c(cc(F)c(N5CCOCC5)c4F)C=C3CCC2)C(C)(C)c2ccccc21,ClC(Cl)Cl,624.0
C[N+]1=C(/C=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CS(C)=O,553.0
C[N+]1=C(/C=C/C=C2/N(CCC[N+](C)(C)C)c3ccc(Br)cc3C2(C)C)C(C)(C)c2ccccc21,CS(C)=O,556.0
C[N+]1=C(/C=C/c2cc3c4c(c2)C(C)(C)c2cccc5c2N4c2c(cccc2C3(C)C)C5(C)C)C(C)(C)c2cc(C(=O)O)ccc21,CO,588.0
C[N+]1=C(/C=C/c2ccc(N(CCC(=O)O)CCC(=O)O)cc2)C(C)(C)c2ccccc21,CCO,560.0
C[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21,CCO,651.0
C[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)c2ccc3c(C(=O)c4ccccc4)cc(C#C[Si](C)(C)C)c4ccc1c2c43,ClCCl,426.0
C[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc([Si](C)(C)C)s5)s4)c4nsnc34)s2)s1,C1CCOC1,513.0
C[Si](C)(C)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1,ClCCl,301.0
C[Si](C)(C)c1ccc2ccc3cccc4ccc1c2c34,CCCCCC,340.0
C[Si](C)(C)c1ccc2ccc3cccc4ccc1c2c34,CO,340.0
C[Si](C)(C)c1ccc2ccc3cccc4ccc1c2c34,ClCCl,343.0
C[Si](C)(c1c2ccccc2cc2ccccc12)[Si](C)(C)c1c2ccccc2cc2ccccc12,C1CCCCC1,397.1539901
C[Si]1(C)C(c2ccccc2)=Cc2ccccc21,ClCCl,333.0
C[Si]1(C)C2=C(c3cc4c(cc31)C1=C(c3ccccc3S1(=O)=O)[Si]4(C)C)S(=O)(=O)c1ccccc12,C1CCOC1,442.0
C[Si]1(C)C2=CC(=[N+]3CCC3)C=C(F)C2=Nc2c(F)cc(N3CCC3)cc21,CCO,709.0
C[Si]1(C)O[Si](C)(C)c2cc3nc4ccc([N+](=O)[O-])cc4c(-c4ccccc4)c3cc2[Si](C)(C)O1,ClCCl,376.0
C[Si]1(C)c2cc(-c3ccccc3)ccc2C=Cc2ccc(-c3ccccc3)cc21,ClCCl,379.0
C[Si]1(C)c2ccccc2-c2ccccc21,ClCCl,336.0
C[Si]1(C)c2ccccc2[Si](C)(C)c2ccccc21,CCCCCC,266.0
C[n+]1cc2ccc3c[n+](C)c4ccccc4c3c2c2ccccc21,CC#N,465.0
C[n+]1ccn(CCCCc2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(C#N)cc2-n2c3ccccc3c3cc(CCCCn4cc[n+](C)c4)ccc32)c1,CC#N,368.9349112
Cc1c(-c2nnc(-c3cccc4ccccc34)o2)sc2sc(-c3nnc(-c4cccc5ccccc45)o3)c(C)c12,CCO,361.0
Cc1c(C(=O)C=Cc2ccc(OCCCN3CCN(C)CC3)cc2)nnn1-c1ccnc2cc(Cl)ccc12,CO,236.0
Cc1c(C)c(B(c2c(C)c(C)c(N3c4ccccc4Oc4ccccc43)c(C)c2C)c2c(C)c(C)c(N3c4ccccc4Oc4ccccc43)c(C)c2C)c(C)c(C)c1C#N,c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,408.0
Cc1c(COC(=O)Cc2c[nH]c3ccccc23)n2c(OCC(=O)Cc3c[nH]c4ccccc34)c(C)c(=O)n2c1=O,CCO,382.0
Cc1c2ccc(=[N+]3CCCCC3)cc-2oc2cc(N3CCCCC3)ccc12,ClCCl,555.0
Cc1c2oc(-c3ccc(-c4ccc5ccccc5c4)cc3)c(-c3ccc(-c4ccc5ccccc5c4)cc3)c2c(C)c2oc(-c3ccc(-c4ccc5ccccc5c4)cc3)c(-c3ccc(-c4ccc5ccccc5c4)cc3)c12,ClCCl,259.0
Cc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1cnc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2O)o1,Cc1ccccc1,309.0
Cc1cc(/C=C(\C#N)C(=O)O)sc1-c1sc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1C,ClCCl,462.0
Cc1cc(/C=C/C2CCCCC2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,525.0
Cc1cc(/C=C/c2c(F)cccc2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,552.0
Cc1cc(/C=C/c2cc(C(F)(F)F)ccc2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,571.0
Cc1cc(/C=C/c2cc(Cl)cc(Br)c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,561.0
Cc1cc(/C=C/c2cc(Cl)cc(Cl)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
Cc1cc(/C=C/c2cc(Cl)cc(Cl)c2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,572.0
Cc1cc(/C=C/c2cc(F)cc(C(F)(F)F)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,553.0
Cc1cc(/C=C/c2cc(I)ccc2F)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,556.0
Cc1cc(/C=C/c2ccc(-c3ccc(Br)cc3)o2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,594.0
Cc1cc(/C=C/c2ccc(-c3ccccc3Cl)o2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,588.0
Cc1cc(/C=C/c2ccc(C(C)(C)C)cc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,558.0
Cc1cc(/C=C/c2ccc(Cl)c(F)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,559.0
Cc1cc(/C=C/c2ccc(F)c(Cl)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,553.0
Cc1cc(/C=C/c2ccc(F)cc2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,554.0
Cc1cc(/C=C/c2ccc(I)o2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,576.0
Cc1cc(/C=C/c2ccc3ccccc3c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,564.0
Cc1cc(/C=C/c2cccc(Br)c2O)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,560.0
Cc1cc(/C=C/c2cccc(Cl)c2Cl)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
Cc1cc(/C=C/c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
Cc1cc(/C=C/c2cccc3c2OCO3)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,559.0
Cc1cc(/C=C/c2ccccc2P(c2ccccc2)c2ccccc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,558.0
Cc1cc(/C=C/c2ccsc2)n2c1C=C1C=CC=[N+]1[B-]2(F)F,CS(C)=O,555.0
Cc1cc(=O)c2ccc(N)cc2o1,C1CCOC1,323.0
Cc1cc(=O)c2ccc(N)cc2o1,C1COCCO1,314.0
Cc1cc(=O)c2ccc(N)cc2o1,CC#N,315.0
Cc1cc(=O)c2ccc(N)cc2o1,CC(C)O,327.0
Cc1cc(=O)c2ccc(N)cc2o1,CCCCO,329.0
Cc1cc(=O)c2ccc(N)cc2o1,CCCO,329.0
Cc1cc(=O)c2ccc(N)cc2o1,CCOC(C)=O,315.0
Cc1cc(=O)c2ccc(N)cc2o1,CN(C)C=O,325.0
Cc1cc(=O)c2ccc(N)cc2o1,CO,327.0
Cc1cc(=O)c2ccc(N)cc2o1,CS(C)=O,326.0
Cc1cc(=O)c2ccc(N)cc2o1,ClC(Cl)Cl,311.0
Cc1cc(=O)c2ccc(N)cc2o1,O,322.0
Cc1cc(=O)oc2cc(O)ccc12,CCO,323.0
Cc1cc(=O)oc2cc3c(cc12)c1c2ccccc2c2ccccc2c1c1c2ccccc2c2ccccc2c31,ClC(Cl)Cl,386.0
Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3c(C)cc(C)cc3C)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C(=O)O)c3ccccc23)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,ClCCl,551.0
Cc1cc(C)c(/C2=C3\C=CC(=N3)/C(c3ccc(NC(=O)CCCC(=O)O)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2c(C)cc(C)cc2C)=C2/C=CC(=N2)/C=4c2c(C)cc(C)cc2C)c(C)c1,C1CCOC1,550.0
Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)cc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2C)c(C)c1,Cc1ccccc1,387.0
Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)cc(N3c4ccccc4Oc4ccccc43)cc2C)c(C)c1,Cc1ccccc1,399.0
Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2ccc3ccc4cccc5ccc2c3c45)c(C)c1,Cc1ccccc1,399.0
Cc1cc(C)c(B(c2ccc(C#Cc3cc4ccc5cc(C#Cc6ccc(B(c7c(C)cc(C)cc7C)c7c(C)cc(C)cc7C)cc6)cc6ccc(c3)c4c56)cc2)c2c(C)cc(C)cc2C)c(C)c1,Cc1ccccc1,414.0
Cc1cc(C)c(B(c2ccc(C#Cc3cc4ccccc4n3C)cc2)c2c(C)cc(C)cc2C)c(C)c1,C1CCCCC1,370.0
Cc1cc(C)c(B(c2cccs2)c2c(C)cc(C)cc2C)c(C)c1,C1CCCCC1,323.0
Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)c(C)c1,CC#N,480.0
Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)c(C)c1,CCCCCC,532.0
Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)c(C)c1,CN(C)C=O,485.0
Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)c(C)c1,CO,483.0
Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)c(C)c1,Cc1ccccc1,525.0
Cc1cc(C)c(C2=C3C=C(/C=C/C(=O)OC(C)(C)C)C=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)c(C)c1,ClCCl,497.0
Cc1cc(C)c(C2=C3C=CC(=[N+](C)C)C=C3P(=O)(c3ccccc3)c3cc(N(C)C)ccc32)c(C)c1,O,700.0
Cc1cc(C)c(C2=C3C=CC(c4ccc5ccccc5c4)=[N+]3[B-](F)(F)n3c2ccc3-c2ccc3ccccc3c2)c(C)c1,ClC(Cl)Cl,573.0
Cc1cc(C)c(C2=C3C=CC=[N+]3[B-]3(c4ccc5ccc6cccc7ccc4c5c67)Oc4cc(O)cc5c6ccc(C)cc6c6cc2n3c6c45)c(C)c1,ClC(Cl)Cl,647.0
Cc1cc(C)c(N=C2N=C3C=CC=CN3C2=Nc2c(C)cc(C)cc2C)c(C)c1,C1CCOC1,556.0
Cc1cc(C)c([B-]2(c3c(C)cc(C)cc3C)[O+]=P(c3ccccc3)(c3ccccc3)c3ccsc3-c3sccc32)c(C)c1,C1CCOC1,345.0
Cc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1ccc2c(c1)B(c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1cc(-n3c4c(C)cc(C)cc4c4cc(C)cc(C)c43)ccc1N2c1ccccc1,C1CCCCC1,395.2380952
Cc1cc(C)cc(-c2c3ccc(=[NH2+])cc-3oc3cc(N)ccc23)c1,O,500.0
Cc1cc(C)cc(-c2c3ccc(=[NH2+])cc-3sc3cc(N)ccc23)c1,O,520.0
Cc1cc(C)n(-c2ccccn2)n1,CC#N,382.0
Cc1cc(C)n2c1C=C1C(=O)N(C)C(c3ccc([N+](=O)[O-])cc3)=[N+]1[B-]2(F)F,CCCCCC,498.0
Cc1cc(C2=Cc3cccc[n+]3[B-](F)(F)O2)ccc1N(C)C,ClC(Cl)Cl,400.0
Cc1cc(C=Nc2c(C)cccc2C)c(O)c(C(c2ccccc2)c2ccccc2)c1,Cc1ccccc1,346.0
Cc1cc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c(C)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1,Cc1ccccc1,365.4679376
Cc1cc(O)c(C(=O)/C=C/c2ccc(O)c(O)c2)c(=O)o1,CC#N,390.0
Cc1cc(O)c(C(=O)/C=C/c2ccc(O)c(O)c2)c(=O)o1,ClCCl,387.0
Cc1cc(OCCO)c(C)cc1C=Cc1ccc([N+](=O)[O-])cc1,CO,398.0
Cc1cc2[nH]c3ccccc3c2c2[nH]c3ccccc3c12,ClCCl,305.0
Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,C1CCCCC1,324.0
Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,C1COCCO1,324.0
Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,CC#N,326.0
Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,CCO,328.0
Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,CCOC(C)=O,325.0
Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,CN(C)C=O,326.0
Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,CO,328.0
Cc1cc2ccc(-c3cccc4cccc(-c5ccc6cc(C)c(=O)oc6c5)c34)cc2oc1=O,c1ccccc1,324.0
Cc1cc2ccccc2c2[nH]c3ccccc3c12,ClCCl,300.0
Cc1cc2nc3[nH]c(=O)n(C)c(=O)c3nc2cc1C,CC#N,379.0
Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(C)c2cc1C,CC#N,444.0
Cc1cc2oc3ccccc3c2c2[nH]c3ccccc3c12,ClCCl,337.0
Cc1cc2sccc2c2[nH]c3ccccc3c12,ClCCl,290.0
Cc1ccc(-[n+]2nc3c(-c4ccccc4)cc(C)cc3c3ccccc32)cc1,ClCCl,475.0
Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(OC(=O)C(C)c5ccc(Oc6ccccc6)cc5)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,648.0
Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(OC(=O)C(C)c5ccccc5)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClCCl,648.0
Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC#N,412.0
Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC(C)=O,414.0
Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CC(C)O,414.0
Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,CO,414.0
Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,ClC(Cl)Cl,420.0
Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,ClCCl,420.0
Cc1ccc(-c2cc(-c3ccccc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1,c1ccccc1,424.0
Cc1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)c3nsnc23)cc1,Cc1ccccc1,413.0
Cc1ccc(-c2nc(-c3ccc(C#N)cc3)[nH]c2-c2ccc(C)cc2)cc1,CO,346.0
Cc1ccc(-c2nc(N(C)C)sc2-c2ccc([N+](=O)[O-])s2)cc1,C1CCOC1,476.0
Cc1ccc(-c2nc(N(C)C)sc2-c2ccc([N+](=O)[O-])s2)cc1,CC#N,483.0
Cc1ccc(-c2nc(N(C)C)sc2-c2ccc([N+](=O)[O-])s2)cc1,CCCCCC,443.0
Cc1ccc(-c2nc(N(C)C)sc2-c2ccc([N+](=O)[O-])s2)cc1,CS(C)=O,500.0
Cc1ccc(-c2nc(N(C)C)sc2-c2ccc([N+](=O)[O-])s2)cc1,Cc1ccccc1,471.0
Cc1ccc(-c2nc(N(C)C)sc2-c2ccc([N+](=O)[O-])s2)cc1,ClCCl,485.0
Cc1ccc(-c2nc(O)c(-c3ccccc3O)s2)cc1,C1COCCO1,359.0
Cc1ccc(-c2nc3c([nH]2)C2=CC(=O)S[C@]2(C)[C@@]2(C)SC(=O)C=C32)cc1,CC#N,455.0
Cc1ccc(-c2nc3ncccn3n2)cc1,ClCCl,310.0
Cc1ccc(-n2c3ccccc3c3cc(/C=C(\C#N)C(=O)O)ccc32)cc1,CC#N,411.0
Cc1ccc(/C2=C3/N=C(C(c4ccccc4)=C3c3ccccc3)/C(c3ccc(C)cc3)=c3\[nH]/c(c(-c4ccccc4)c3-c3ccccc3)=C(/c3ccc(C)cc3)C3=N/C(=C(/c4ccc(C)cc4)c4[nH]c2c(-c2ccccc2)c4-c2ccccc2)C(c2ccccc2)=C3c2ccccc2)cc1,ClCCl,721.0
Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(C)cc2)=C2/C=C(/C=C/C=C(C(=O)O)C(=O)O)C(=N2)/C=4c2ccc(C)cc2)cc1,CN(C)C=O,612.0
Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)s3)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2ccc(/C=C(\C#N)C(=O)O)s2)=C2/C=CC(=N2)/C=4c2ccc(C)s2)s1,ClC(Cl)Cl,560.0
Cc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c(C)c1,CS(C)=O,559.0
Cc1ccc(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)cc1F,CS(C)=O,556.0
Cc1ccc(/C=C/c2nc(-c3ccc(C)cc3)[nH]c2/C=C/c2ccc(C)cc2)cc1,ClCCl,365.0
Cc1ccc(/C=C/c2nc3ccccc3s2)cc1,C1CCCCC1,345.0
Cc1ccc(/C=C/c2nc3ccccc3s2)cc1,CO,345.0
Cc1ccc(C(=Cc2ccc3ccccc3n2)NN=Cc2ccc([N+](=O)[O-])cc2)cc1,CCO,438.0
Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,C1CCCCC1,335.0
Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,C1COCCO1,335.0
Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,CCCCCC,333.0
Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,CCOC(C)=O,335.0
Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,CN(C)C=O,338.0
Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,ClCCl,336.0
Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1C,O,338.0
Cc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c(Cl)n1,CS(C)=O,432.0
Cc1ccc(C)c2c1C=CC2[Fe]C1C=Cc2c(C)ccc(C)c21,ClCCl,416.0
Cc1ccc(C2(c3ccc(C)cc3)c3cccc4c3N3c5c2cccc5C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c5ccc(/C=C(\C#N)C(=O)O)o5)cc(c23)C4(c2ccc(C)cc2)c2ccc(C)cc2)cc1,ClCCl,461.0
Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cc(I)cc32)cc1,C1CCCCC1,548.5
Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cc(I)cc32)cc1,CC#N,542.0
Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cc(I)cc32)cc1,CCO,544.0
Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cc(I)cc32)cc1,CCOC(C)=O,542.0
Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cc(I)cc32)cc1,CO,542.0
Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cc(I)cc32)cc1,OCC(F)(F)F,539.0
Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cccc32)cc1,C1CCCCC1,523.5
Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cccc32)cc1,CC#N,516.5
Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cccc32)cc1,CCO,518.0
Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cccc32)cc1,CCOC(C)=O,517.0
Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cccc32)cc1,CO,516.5
Cc1ccc(C2=C3C=C(I)C=[N+]3[B-](F)(F)n3cccc32)cc1,OCC(F)(F)F,513.0
Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccccc4)ccc32)cc1,C1CCCCC1,630.0
Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccccc4)ccc32)cc1,C1CCOC1,632.0
Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccccc4)ccc32)cc1,C1COCCO1,633.0
Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccccc4)ccc32)cc1,CO,626.0
Cc1ccc(C2=C3C=CC(/C=C/c4ccccc4)=[N+]3[B-](F)(F)n3c(/C=C/c4ccccc4)ccc32)cc1,ClC(Cl)Cl,635.0
Cc1ccc(C2=C3C=CC(=[N+](C)C)C=C3[Si](C)(C)c3cc(N(C)C)ccc32)c(C)c1,O,646.0
Cc1ccc(C2=C3C=CC(N(C)Cc4ccccc4)=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,489.0
Cc1ccc(C2=C3C=CC(N(Cc4ccccc4)Cc4ccccc4)=[N+]3[B-](F)(F)n3cccc32)cc1,ClCCl,501.0
Cc1ccc(C2=C3C=CC(Oc4ccccc4)=[N+]3[B-](F)(F)n3c(Oc4ccccc4)ccc32)cc1,C1CCOC1,516.0
Cc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3c2ccc3N2CCOCC2)cc1,ClCCl,488.0
Cc1ccc(C2=Cc3ccc4ccccc4[n+]3[B-](F)(F)O2)cc1,ClC(Cl)Cl,432.0
Cc1ccc(F)c(/C=C/c2cc(C)c3n2[B-](F)(F)[N+]2=CC=CC2=C3)c1Cl,CS(C)=O,553.0
Cc1ccc(F)c(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(N(C)CCO)cc3)cc2)c1F,CS(C)=O,431.0
Cc1ccc(N(CC(=O)[O-])CC(=O)[O-])cc1OCCOc1cc(-c2cc3ccc(C(=O)[O-])cc3[nH]2)ccc1N(CC(=O)[O-])CC(=O)[O-],O,349.0
Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)cc4)cc3)cc2)cc1,C1CCOC1,387.0
Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(C#N)nc4)c4nccnc34)cc2)cc1,ClCCl,419.0
Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(C#N)nc4)c4nsnc34)cc2)cc1,ClCCl,473.0
Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3cc(SC#N)c4cc(-c5cc(C)c(/C=C(\C#N)C(=O)O)s5)ccc43)cc2)cc1,ClC(Cl)Cl,426.0
Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2cc(-c4ccc(-c5ccc(C(=O)O)cc5)s4)sc2-3)cc1,ClC(Cl)Cl,442.0
Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc2)cc1,C1CCOC1,466.0
Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(/C=C/c5ccc(/C=C(\C#N)C(=O)O)cc5)cc4)c4ccc(C)cc4C)cc3)cc2)c(C)c1,C1CCOC1,447.0
Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(/C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3C3CCCC32)cc1,ClCCl,531.0
Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)cc5)c5nccnc45)cc3[C@@H]3CCC[C@@H]32)cc1,ClCCl,442.0
Cc1ccc(N2c3ccc(-c4ccc(-c5ccc(/C=C(\C#N)C(=O)O)s5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3[C@H]3CCC[C@H]32)cc1,ClCCl,510.0
Cc1ccc(N2c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3C3CCCC32)cc1,C1CCOC1,462.0
Cc1ccc(N2c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3C3CCCC32)cc1,ClCCl,483.0
Cc1ccc(N2c3ccc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc3[C@@H]3CCC[C@@H]32)cc1,ClCCl,483.0
Cc1ccc(N2c3ccc(-c4ccc(C=C(C#N)C(=O)O)s4)cc3[C@@H]3CCC[C@H]32)cc1,C1CCOC1,492.0
Cc1ccc(N2c3ccc(-c4ccc(C=C5C(=O)NC(=O)NC5=O)s4)cc3C3CCCC32)cc1,ClCCl,588.0
Cc1ccc(N2c3ccc(/C=C/C4=C/C(=C(\C#N)C(=O)O)CCC4)cc3C3CCCC32)cc1,ClC(Cl)Cl,532.0
Cc1ccc(N2c3ccc(/C=C/C4=C/C(=C(\C#N)C(=O)O)CCC4)cc3C3CCCC32)cc1,ClCCl,532.0
Cc1ccc(N2c3ccc(C=C(C#N)C(=O)O)cc3[C@@H]3CCC[C@H]32)cc1,C1CCOC1,438.0
Cc1ccc(N=C2N=C3C=CC=CN3C2=Nc2ccc(C)cc2)cc1,C1CCOC1,585.0
Cc1ccc(N=Nc2sc(N)nc2-c2ccc(NC(=O)c3ccccc3)cc2)cc1,CS(C)=O,479.0
Cc1ccc(N[C@@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)cc1,CCO,433.0
Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccccc2)cc1,CC#N,433.0
Cc1ccc(S(=O)(=O)/N=c2/cc3ccccc3cn2-c2ccccc2C)cc1,CC#N,432.0
Cc1ccc(Sc2cc3cccc4ccc5cccc2c5c43)cc1,ClCCl,346.0
Cc1ccc([N+]2=Cc3cccn3[B-]2(c2ccccc2)c2ccccc2)cc1C,C1CCOC1,383.9009287925697
Cc1ccc2c(-c3cnc4ccccc4c3)c3ccccc3c(-c3cnc4ccccc4c3)c2c1,C1CCOC1,421.0
Cc1ccc2c(C=Cc3ccc4c(c3)Sc3ccccc3N4C)cc(=O)oc2c1,ClC(Cl)Cl,424.0
Cc1ccc2c(C=Nc3c(C)cccc3C)ccc(O)c2n1,Cc1ccccc1,284.0
Cc1ccc2c3ccccc3c3nc4ccccc4n3c2c1,CC#N,309.0
Cc1ccc2cc3c4ccc(-c5ccc(-c6ccc(/C=C(\C#N)C(=O)O)s6)s5)cc4c4ccccc4n3c2c1,C1CCOC1,411.0
Cc1ccc2nc(-c3cc(-c4nc5ccc(C)cc5[nH]4)cc(-c4nc5ccc(C)cc5[nH]4)c3)[nH]c2c1,CS(C)=O,322.8
Cc1ccc2nc3cc4c5c(cccc5c3nc2c1)C(c1ccccc1)=C(c1ccccc1)O4,ClCCl,491.0
Cc1ccc2oc(-c3cc4cc(C)ccc4oc3=O)cc2c1,CC#N,372.0
Cc1ccc2oc(-c3cc4cc(C)ccc4oc3=O)cc2c1,CCOC(C)=O,374.0
Cc1ccc2oc(-c3cc4cc(C)ccc4oc3=O)cc2c1,CS(C)=O,377.0
Cc1ccc2oc(-c3cc4cc(C)ccc4oc3=O)cc2c1,Cc1ccccc1,378.0
Cc1ccc2oc(-c3cc4cc(C)ccc4oc3=O)cc2c1,O,351.0
Cc1cccc(-c2c3ccccc3cc3ccccc23)n1,ClCCl,385.0
Cc1cccc(C)c1/C=C/c1cc(C)c2n1[B-](F)(F)[N+]1=CC=CC1=C2,CS(C)=O,544.0
Cc1cccc(C2=C(c3cccc(C)c3)C3=Cc4ccccc4NB3OB3Nc4ccccc4C=C32)c1,ClCCl,413.0
Cc1cccc(N(c2ccccc2)c2ccc(C(C#N)=Cc3cccc4ccccc34)cc2)c1,C1CCOC1,403.0
Cc1cccc(OCc2nnc(-c3ccn4c(C)nc(Cl)c4c3)o2)c1,CC#N,378.0
Cc1cccc2nc(-c3cc(=O)c(OCc4ccccc4)co3)c(NC3CCCCC3)n12,ClCCl,352.0
Cc1ccccc1-c1c(-c2ccccc2C)c2cc(C(C)(C)C)cc3c(-c4ccccc4C)c(-c4ccccc4C)c4cccc1c4[n+]23,ClCCl,353.0
Cc1ccccc1-c1c2cccc3c(-c4ccc(C(C)(C)C)cc4)cc4c(-c5ccccc5C)c5cccc6c(-c7ccc(C(C)(C)C)cc7)cc1c(c65)c4c32,ClCCl,447.0
Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,C1CCOC1,370.0
Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,CC#N,370.0
Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,CC(C)=O,368.0
Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,CCCCCO,378.0
Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,CO,376.0
Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,ClC(Cl)Cl,370.0
Cc1ccccc1C(=O)NN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2,ClCCl,368.0
Cc1ccccc1C1=C2C=CC(=[N+](C)C)C=C2[Si](C)(C)c2cc(N(C)C)ccc21,O,646.0
Cc1ccccc1C1=c2cc3c4c(c2P(=O)([O-])c2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3,O,700.0
Cc1ccccc1[B-]1(c2ccccc2C)n2nc(C(F)(F)F)cc2-c2c3ccccc3cc[n+]21,C1CCCCC1,374.0
Cc1ccccc1[B-]1(c2ccccc2C)n2nc(C(F)(F)F)cc2-c2c3ccccc3cc[n+]21,Cc1ccccc1,380.0
Cc1ccccc1[B-]1(c2ccccc2C)n2nc(C(F)(F)F)cc2-c2c3ccccc3cc[n+]21,ClCCl,374.0
Cc1ccn(-c2ccccn2)n1,CC#N,381.0
Cc1cn2cc(-c3ccc(C#N)cc3)[n-][n+]2c1,ClCCl,385.0
Cc1cnc(N=Nc2ccc(O)c3ncccc23)s1,CS(C)=O,448.0
Cc1csc2[n+]1[B-](F)(F)OC(c1ccc(N(C)C)cc1)=N2,C1CCOC1,405.0
Cc1csc2[n+]1[B-](F)(F)OC(c1ccc(N(C)C)cc1)=N2,CC#N,403.0
Cc1csc2[n+]1[B-](F)(F)OC(c1ccc(N(C)C)cc1)=N2,Cc1ccccc1,407.0
Cc1csc2[n+]1[B-](F)(F)OC(c1ccc(N(C)C)cc1)=N2,ClCCl,406.0
Cc1nc(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)n1,Cc1ccccc1,370.0
Cc1nc2c(ccc3c2sc(/C=C/C=C/c2ccc(N(C)C)cc2)[n+]3C)s1,CO,574.0
Cc1nc2c(ccc3c2sc(/C=C/C=C/c2ccc(N(C)C)cc2)[n+]3C)s1,ClC(Cl)Cl,617.0
Cc1nc2cccc(-c3nc4ccccc4[nH]3)c2c(=O)[nH]1,CN(C)C=O,313.0
Cc1nn(-c2ccccc2)c2c1c(=O)oc1ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc12,Cc1ccccc1,342.0
Cc1nn(-c2ccccc2)c2c1c(=O)oc1ccc(-n3c4ccccc4c4ccccc43)cc12,Cc1ccccc1,341.0
Cc1nn(C)c2nc3c(F)c(F)c(F)c(F)c3cc12,Cc1ccccc1,386.0
Cc1oc(C)c2c1C=C(C=O)CC(C=O)=C2,ClC(Cl)Cl,334.0
Clc1ccc(-c2cc3c4c(ccc5c4c2OC(c2ccccc2)=C5c2ccccc2)C(c2ccccc2)=C(c2ccccc2)O3)cc1Cl,ClCCl,456.0
Clc1ccc(-c2cnn(-c3ccccc3)n2)cc1,CO,280.0
Clc1ccc(/C=C/c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1,C1CCOC1,376.0
Clc1ccc(/C=C/c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1,CC#N,368.0
Clc1ccc(/C=C/c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1,CO,360.0
Clc1ccc(/C=C/c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1,ClCCl,377.0
Clc1ccc(C2=C(c3ccc(Cl)cc3)c3ccc4c5c(ccc(c35)O2)OC(c2ccc(Cl)cc2)=C4c2ccc(Cl)cc2)cc1,ClCCl,499.0
Clc1ccc(C2=C(c3ccc(Cl)cc3)c3cccc4c3c(cc3nc5ccccc5nc34)O2)cc1,ClCCl,489.0
Clc1ccccc1N=Nc1nc2ccccc2s1,CO,348.0
Cn1c(-c2ccc(/C=C(\C#N)C(=O)O)cc2)ccc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1,C1CCOC1,437.0
Cn1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc1-c1ccc(/C=C(\C#N)C(=O)O)s1,C1CCOC1,472.0
Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,C1CCOC1,454.0
Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,CC(C)=O,453.0
Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,CCOC(C)=O,452.0
Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,CO,452.0
Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,CS(C)=O,460.0
Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,Cc1ccccc1,458.0
Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,ClCCl,457.0
Cn1c(=O)c(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)c(O)c2ccccc21,O,447.0
Cn1c(=O)c2c(nc(/C=C/c3ccc(Cl)cc3)n2C)n(C)c1=O,ClCCl,358.0
Cn1c(C=C2C=C(C(C)(C)C)OC(C(C)(C)C)=C2)ccc1C=C(C#N)C(=O)O,ClC(Cl)Cl,515.0
Cn1c2ccc(C(C#N)=Cc3ccc(C#N)cc3)cc2c2ccc(C(C#N)=Cc3ccc(C#N)cc3)cc21,ClCCl,412.0
Cn1c2ccc(S(=O)(=O)Cl)cc2c(=O)c2cc(S(=O)(=O)Cl)ccc21,CS(C)=O,406.0
Cn1c2ccccc2[c+](-c2ccccc2)c2cc([N+](=O)[O-])ccc21,CC#N,428.3
Cn1c2ccccc2[c+](-c2ccccc2)c2cc([N+](=O)[O-])ccc21,CCO,426.3
Cn1c2ccccc2[c+](-c2ccccc2)c2cc([N+](=O)[O-])ccc21,CO,432.1
Cn1c2ccccc2[c+](-c2ccccc2)c2cc([N+](=O)[O-])ccc21,CS(C)=O,434.3
Cn1c2ccccc2c(=O)c2ccccc21,CS(C)=O,403.0
Cn1c2ccccc2c(=O)c2ccccc21,O,394.0
Cn1c2ccccc2c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc3sc(-c4ccc(-c5ccc(C=C(C#N)C(=O)O)s5)s4)cc3c21,ClC(Cl)Cl,551.0
Cn1c2ccccc2c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)ccc21,CN(C)C=O,501.0
Cn1nc(-c2ccccc2)c2cc3c(F)c(F)c(F)c(F)c3nc21,Cc1ccccc1,401.0
Cn1nc(-c2ccccc2)c2n[nH]nc2c1=O,CC#N,299.0
Cn1nc(-c2ccccc2)c2n[nH]nc2c1=O,CCO,296.0
Cn1nc(-c2ccccc2)c2n[nH]nc2c1=O,Cc1ccccc1,299.0
Cn1nc(-c2nc3c(Br)cccn3c2NC(C)(C)C)cc1-c1ccc(Cl)cc1,ClC(Cl)Cl,322.53
Cn1nc(-c2nc3sccn3c2NC(C)(C)C)cc1-c1ccc(Cl)cc1,ClC(Cl)Cl,328.02
FC(F)(F)C(F)(F)C(F)(F)C1=NC2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C=C3c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc(c4c56)=C4C=C(c5ccc(N(c6ccccc6)c6ccccc6)cc5)C(=N1)C2C34,C1CCOC1,594.0
FC(F)(F)C(F)(F)C(F)(F)C1=NC2=C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C=C3c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc(c4c56)=C4C=C(c5ccc(N(c6ccccc6)c6ccccc6)cc5)C(=N1)C2C34,Cc1ccccc1,611.0
FC(F)(F)C(F)(F)C(F)(F)C1=NC2=C(c3ccc4ccc5cccc6ccc3c4c56)C=C3c4cc(-c5ccc6ccc7cccc8ccc5c6c78)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc(c4c56)=C4C=C(c5ccc6ccc7cccc8ccc5c6c78)C(=N1)C2C34,C1CCOC1,524.0
FC(F)(F)C(F)(F)C(F)(F)C1=NC2=C(c3ccc4ccc5cccc6ccc3c4c56)C=C3c4cc(-c5ccc6ccc7cccc8ccc5c6c78)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc(c4c56)=C4C=C(c5ccc6ccc7cccc8ccc5c6c78)C(=N1)C2C34,Cc1ccccc1,560.0
FC(F)(F)c1ccc(-c2cc3ccccc3p2-c2ccccc2)cc1,C1CCOC1,329.0
FC(F)(F)c1ccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)o2)cc1,ClCCl,367.0
FC(F)(F)c1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1,C1CCCCC1,375.0
FC(F)(F)c1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1,CC#N,369.0
FC(F)(F)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)c3ccc4c5c(ccc(c35)O2)OC(c2ccc(C(F)(F)F)cc2)=C4c2ccc(C(F)(F)F)cc2)cc1,ClCCl,507.0
FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1,CC(C)=O,373.0
FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1,Cc1ccccc1,379.0
FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1,ClCCl,380.0
FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)cc1,CC(C)=O,387.0
FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)cc1,Cc1ccccc1,396.0
FS(F)(F)(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)cc1,ClCCl,395.0
F[B-]1(F)OC(c2ccc3c(c2)Cc2ccccc2-3)=CC(c2ccccc2)=[O+]1,CC#N,412.0
F[B-]1(F)OC(c2ccccc2)=C(c2ccccc2)c2sc3ccccc3[n+]21,C1CCOC1,360.0
F[B-]1(F)Oc2ccccc2-c2nc(-c3ccccc3)c3ccccc3[n+]21,Cc1ccccc1,386.0
F[B-]1(F)n2c(Cl)c(Cl)c(Br)c2C(Oc2ccccc2)=C2C(Br)=C(Cl)C(Cl)=[N+]21,ClCCl,532.0
F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc[n+]21,C1CCOC1,468.0
F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc[n+]21,CC#N,460.0
F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc[n+]21,CCCCCC,473.0
F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc[n+]21,Cc1ccccc1,472.0
F[B-]1(F)n2c(c3cccc4cccc2c43)=Nc2cccc[n+]21,ClCCl,438.0
F[B-]1(F)n2c(c3ccccc3c2-c2ccccc2)C(c2ccccc2)=C2c3ccccc3C(c3ccccc3)=[N+]21,ClCCl,631.0
F[B-]1(F)n2c(c3ccccc3c2-c2ccccc2)C=C2c3ccccc3C(c3ccccc3)=[N+]21,C1CCOC1,640.0
F[B-]1(F)n2c(c3ccccc3c2-c2ccccc2)C=C2c3ccccc3C(c3ccccc3)=[N+]21,ClCCl,634.0
F[B-]1(F)n2c(cc(-c3ccccc3)c2-c2ccccc2)C(c2ccccc2)=C2C=C(c3ccccc3)C(c3ccccc3)=[N+]21,C1CCOC1,586.0
F[B-]1(F)n2c(cc(-c3ccccc3)c2-c2ccccc2)C(c2ccccc2)=C2C=C(c3ccccc3)C(c3ccccc3)=[N+]21,CC#N,576.0
F[B-]1(F)n2c(cc(-c3ccccc3)c2-c2ccccc2)C(c2ccccc2)=C2C=C(c3ccccc3)C(c3ccccc3)=[N+]21,Cc1ccccc1,592.0
F[B-]1(F)n2c(cc(-c3ccccc3)c2-c2ccccc2)C(c2ccccc2)=C2C=C(c3ccccc3)C(c3ccccc3)=[N+]21,ClCCl,584.0
F[B-]1(F)n2c(cc(Br)c2Br)C(c2ccccc2)=C2C=C(Br)C(Br)=[N+]21,ClC(Cl)Cl,558.0
F[B-]1(F)n2c(ccc2-c2cccs2)C(C(F)(F)F)=C2C=CC(c3cccs3)=[N+]21,CCCCCC,665.0
F[B-]1(F)n2c(ccc2-n2cnc3ccccc32)C(c2cccs2)=C2C=CC(n3cnc4ccccc43)=[N+]21,ClCCl,559.0
F[B-]1(F)n2c(ccc2N2CCOCC2)C(c2cccs2)=C2C=CC=[N+]21,ClCCl,496.0
F[B-]1(F)n2c(nc(-c3ccccc3)c2-c2ccccc2)-c2cccc[n+]21,C1CCCCC1,429.0
F[B-]1(F)n2c(nc(-c3ccccc3)c2-c2ccccc2)-c2cccc[n+]21,C1CCOC1,404.0
F[B-]1(F)n2c(nc(-c3ccccc3)c2-c2ccccc2)-c2cccc[n+]21,C1COCCO1,387.0
F[B-]1(F)n2c(nc(-c3ccccc3)c2-c2ccccc2)-c2cccc[n+]21,CCCCCC,427.5
F[B-]1(F)n2c(nc(-c3ccccc3)c2-c2ccccc2)-c2cccc[n+]21,CO,391.0
F[B-]1(F)n2c(nc(-c3ccccc3)c2-c2ccccc2)-c2cccc[n+]21,ClCCl,408.0
F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,CC#N,473.0
F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,CCCCCC,514.0
F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,CCOC(C)=O,480.0
F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,CO,479.0
F[B-]1(F)n2cccc2C(c2ccccc2)=C2C=CC(N3CCOCC3)=[N+]21,ClCCl,486.0
F[Si-](F)(c1ccccc1)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,C1CCOC1,391.0
F[Si](c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,C1CCOC1,401.0
F[Si](c1c2ccccc2cc2ccccc12)(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12,ClC(Cl)Cl,402.0
Fc1c(F)c(F)c(-c2cc3cc4oc(-c5c(F)c(F)c(F)c(F)c5F)cc4cc3o2)c(F)c1F,ClCCl,351.0
Fc1c(F)c(F)c([N+]2=Cc3cccn3[B-]2(c2ccccc2)c2ccccc2)c(F)c1F,C1CCOC1,366.8639053254438
Fc1cc(-c2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)ccc1-c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1,CN(C)C=O,342.0
Fc1ccc(-c2cnn(-c3ccccc3)n2)cc1,CO,278.0
Fc1ccc(-n2ncc(-c3ccccc3)n2)cc1,CO,294.0
Fc1ccc2c(c1)sc1nc(-c3ccccc3)sc12,CS(C)=O,330.0
Fc1cccc(F)c1C1=CC2=C(c3ccccc3)c3cccn3[B-](F)(F)[N+]2=C1,ClCCl,527.0
N#C/C(=C/c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1)C(=O)O,CCO,405.0
N#C/C(=C\C=C(/Cl)c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O,CC#N,462.0
N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1,C1CCOC1,366.0
N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1,C1COCCO1,364.0
N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1,CC#N,368.0
N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1,CCCCCCC,356.0
N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1,CN(C)C=O,373.0
N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1,CO,368.0
N#C/C(=C\c1c(F)cc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1F)C(=O)O,C1CCOC1,422.0
N#C/C(=C\c1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1,C1CCCCC1,405.0
N#C/C(=C\c1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1,C1CCOC1,402.0
N#C/C(=C\c1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1,CCCCCC,402.0
N#C/C(=C\c1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1,CCOC(C)=O,397.0
N#C/C(=C\c1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1,Cc1ccccc1,408.0
N#C/C(=C\c1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1,ClC(Cl)Cl,407.0
N#C/C(=C\c1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1,ClCCl,405.0
N#C/C(=C\c1cc2c(c3ccccc13)N(c1ccc(C=C(c3ccccc3)c3ccccc3)cc1)C1CCCC21)C(=O)O,ClC(Cl)Cl,507.0
N#C/C(=C\c1ccc(-c2c3ccccc3c(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1)C(=O)O,ClCCl,449.0
N#C/C(=C\c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2-c2ccc(/C=C(\C#N)C(=O)O)cc2)cc1)C(=O)O,C1CCOC1,451.0
N#C/C(=C\c1ccc(-c2cc3c4c(c2)CCCN4CCC3)s1)C(=O)O,CCO,458.0
N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)s1)C(=O)O,CN(C)C=O,515.0
N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)C(=O)O,C1CCOC1,477.3333333333333
N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)C(=O)O,ClCCl,495.0
N#C/C(=C\c1ccc(-c2ccc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)s3)s2)s1)C(=O)O,ClCCl,465.0
N#C/C(=C\c1ccc(-c2ccc(-c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)s1)C(=O)O,ClCCl,424.0
N#C/C(=C\c1ccc(-c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)s2)s1)C(=O)O,C1CCOC1,393.0
N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C#N)cc5)cc4)cc3)c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C#N)cc5)cc4)cc3)cc2)cc1)c1ccc(C#N)cc1,C1CCOC1,428.0
N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccccc4)cc3)cc2)cc1)C(=O)O,ClCCl,393.0
N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc2)o1)C(=O)O,CC#N,421.0
N#C/C(=C\c1ccc(-n2c3ccccc3c3ccccc32)cc1)C(=O)O,CC#N,374.0
N#C/C(=C\c1ccc(/C=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)s1)C(=O)O,ClCCl,476.0
N#C/C(=C\c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(C#N)cc1,C1CCOC1,434.0
N#C/C(=C\c1ccc(/C=C/c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1)C(=O)O,C1CCOC1,433.0
N#C/C(=C\c1ccc(C#Cc2ccc(C#Cc3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)s1)C(=O)O,ClCCl,406.0
N#C/C(=C\c1ccc(C#N)cc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1,CC#N,379.0
N#C/C(=C\c1ccc(N(c2ccc(/C=C(\C#N)C(=O)O)cc2)c2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1)C(=O)O,CN(C)C=O,405.0
N#C/C(=C\c1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O,CCO,424.0
N#C/C(=C\c1ccc(N(c2ccccc2)c2ccc(/C=C(\C#N)c3ccc(C#N)cc3)cc2)cc1)c1ccc(C#N)cc1,C1CCOC1,448.0
N#C/C(=C\c1ccc2c(c1)C1CCCC1N2c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)C(=O)O,ClC(Cl)Cl,464.0
N#C/C(=C\c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2n1)C(=O)O,ClC(Cl)Cl,441.0
N#C/C(=N/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,CC#N,396.0
N#C/C(=N/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,CCO,398.0
N#C/C(=N/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,CN(C)C=O,477.0
N#C/C(=N/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,Cc1ccccc1,401.0
N#C/C(=N/Nc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1,ClCCl,399.0
N#CBr,CO,254.0
N#CC(=Cc1cc(-c2ccc(C=C(C#N)c3ccc(-c4cccc5ccccc45)cc3)cc2)cs1)c1ccccc1,C1CCOC1,364.0
N#CC(=Cc1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,C1CCOC1,522.0
N#CC(=Cc1ccc(-c2ccc(-c3ccc(-n4c5ccc(-c6ccc(C=Cc7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5c5cc(-c6ccc(C=Cc7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)ccc54)cc3)s2)s1)C(=O)O,CN(C)C=O,519.0
N#CC(=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)s1)C(=O)O,C1CCOC1,417.0
N#CC(=Cc1ccc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)s2)cc1)C(=O)O,C1CCOC1,516.2
N#CC(=Cc1ccc(-c2ccc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)s2)s1)C(=O)O,CN(C)C=O,511.0
N#CC(=Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2N3c2ccccc2)s1)C(=O)O,C1CCOC1,452.0
N#CC(=Cc1ccc(-c2ccc3c(c2)C2CCCC2N3c2ccc3c(c2)Cc2ccccc2-3)o1)C(=O)O,CN(C)C=O,424.0
N#CC(=Cc1ccc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc3c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,ClCCl,439.0
N#CC(=Cc1ccc(-c2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,C1CCOC1,546.0
N#CC(=Cc1ccc(-c2cnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(=O)O,ClCCl,535.0
N#CC(=Cc1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3c2OCCO3)cc1C#N)C(=O)O,C1CCOC1,458.0
N#CC(=Cc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1)C(=O)O,C1CCOC1,425.0
N#CC(=Cc1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,C1CCOC1,399.0
N#CC(=Cc1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C(=O)O,ClCCl,438.0
N#CC(=Cc1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)C(=O)O,ClCCl,457.0
N#CC(=Cc1ccc(C(C#N)=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,C1CCOC1,498.0
N#CC(=Cc1ccc(C(C#N)=Cc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O,Cc1ccccc1,527.0
N#CC(=Cc1ccc(C=Cc2ccc(N3c4ccccc4CCc4ccccc43)cc2)s1)C(=O)O,ClCCl,467.0
N#CC(=Cc1ccc(N(c2ccc(/C=C/c3ccc(/C=C(\C#N)c4ccc([N+](=O)[O-])cc4)cc3)cc2)c2ccc(/C=C/c3ccc(/C=C(\C#N)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1)C(=O)O,C1CCOC1,628.0
N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1nc2ccc(C(=O)O)cc2[nH]1,CN(C)C=O,413.0
N#CC(=Cc1ccc2c(c1)c1ccccc1n2CCCCCCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)O)ccc21)C(=O)O,CN(C)C=O,352.0
N#CC(=Cc1cccc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)s2)c1)C(=O)O,C1CCOC1,394.6
N#CC(=Cc1cccc2ccccc12)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1,C1CCOC1,404.0
N#CC(=Cc1ncc(C=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)s1)C(=O)O,ClC(Cl)Cl,566.0
N#CC(=Cc1sc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2c1OCCO2)C(=O)O,ClCCl,489.0
N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,C1CCOC1,394.0
N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,C1COCCO1,391.0
N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,CCO,393.0
N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,CCOC(C)=O,390.0
N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,CN(C)C=O,399.0
N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,CO,391.0
N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,CS(C)=O,402.0
N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,Cc1ccccc1,396.0
N#CC(C#N)=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1,ClC(Cl)Cl,397.0
N#CC(C#N)=C(C=Cc1cccnc1)c1ccc(N)cc1,CO,443.0
N#CC(C#N)=C1c2ccccc2-c2c1sc(N)c2C#N,CC(C)=O,629.0
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,C1CCOC1,354.0
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,C1COCCO1,353.0
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,CCO,354.0
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,CCOC(C)=O,352.0
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,CN(C)C=O,355.0
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,CO,351.0
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,CS(C)=O,356.0
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,Cc1ccccc1,361.0
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,ClC(Cl)Cl,359.0
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1,ClCCl,357.0
N#CC1=C2C=CC=CN2[B-](F)(F)[n+]2cc(-c3ccc(N4c5ccccc5Sc5cc(/C=C(/C#N)C(=O)O)ccc54)cc3)ccc21,C1CCOC1,458.0
N#CC1=CC(C=O)=CC(C#N)=P1(c1ccccc1)c1ccccc1,ClC(Cl)Cl,434.0
N#CC1=c2c3cccc4c(Br)ccc(c43)n2[B-](F)(F)[n+]2ccccc21,C1CCOC1,523.0
N#CC1=c2c3cccc4c(Br)ccc(c43)n2[B-](F)(F)[n+]2ccccc21,CC#N,516.0
N#CC1=c2c3cccc4c(Br)ccc(c43)n2[B-](F)(F)[n+]2ccccc21,CCCCCC,528.0
N#CC1=c2c3cccc4c(Br)ccc(c43)n2[B-](F)(F)[n+]2ccccc21,Cc1ccccc1,529.0
N#CC1=c2c3cccc4c(Br)ccc(c43)n2[B-](F)(F)[n+]2ccccc21,ClCCl,523.5
N#Cc1c(-c2ccc(Oc3ccccc3)cc2)c(N)n2ccccc12,CN(C)C=O,400.0
N#Cc1c(-c2n[nH]c3ccccc23)c(N)n2ccccc12,CN(C)C=O,399.0
N#Cc1c(-n2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(C#N)c(-n2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(-n2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1-n1c2ccc(Cl)cc2c2cc(Cl)ccc21,Cc1ccccc1,384.0
N#Cc1c(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c(C#N)c1-c1ccccc1,c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1,374.0
N#Cc1c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(-c2ccccc2)cc1N1CCCCC1,CS(C)=O,398.0
N#Cc1c(N)nc(N)c(C#N)c1-c1c2ccccc2cc2ccccc12,C1CCOC1,391.0
N#Cc1c(N)nc(N)c(C#N)c1-c1cccc([N+](=O)[O-])c1,C1CCOC1,337.0
N#Cc1c(N)sc2c1-c1ccccc1C2=O,CC(C)=O,531.0
N#Cc1c(N2CCCCC2)cc(-c2ccc(Br)s2)c2c1CCc1ccccc1-2,C1CCOC1,364.0
N#Cc1c(N2CCCCC2)cc(-c2cccc3ccccc23)c2c1CCc1ccccc1-2,C1CCOC1,353.0
N#Cc1c(N2CCCCC2)cc(-c2ccccc2)c2c1-c1ccccc1C2=O,C1CCOC1,392.0
N#Cc1c(N2CCCCC2)cc(-c2cccs2)c2c1-c1cccc3cccc-2c13,O,458.0
N#Cc1cc(-n2c3ccccc3c3cc(Br)ccc32)c(-n2c3ccccc3c3cc(Br)ccc32)cc1C#N,C1CCOC1,366.0
N#Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21,Cc1ccccc1,374.0
N#Cc1cc2cc3ccccc3nc2[nH]c1=O,CC(C)=O,392.0
N#Cc1cc2ccc(O)cc2oc1=N,C1CCOC1,360.0
N#Cc1cc2ccc(O)cc2oc1=N,CC#N,356.0
N#Cc1cc2ccc(O)cc2oc1=N,CCOC(C)=O,362.0
N#Cc1cc2ccc(O)cc2oc1=N,CS(C)=O,355.0
N#Cc1cc2ccc(O)cc2oc1=N,ClC(Cl)Cl,364.0
N#Cc1cc2ccc3cccc4ccc(c1)c2c34,CCCCCC,388.0
N#Cc1cc2ccccc2[nH]1,C1COCCO1,281.595092
N#Cc1cc2ccccc2[nH]1,CC#N,279.6875
N#Cc1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6n5-c5ccc(C#N)c6ccccc56)cc4)cc3)nc3c4ccccc4c4ccccc4c32)c2ccccc12,ClCCl,340.0
N#Cc1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1,CO,305.0
N#Cc1ccc(/C=C/c2ncc(-c3ccccc3)o2)cc1,ClCCl,360.0
N#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,C1CCOC1,356.0
N#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,CC#N,352.0
N#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,CN(C)C=O,357.0
N#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,ClC(Cl)Cl,357.0
N#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccccc4C#N)cc3C#N)cc2C#N)cc1,c1ccccc1,358.0
N#Cc1ccc(C2=CC3=c4cc(-c5ccc(C#N)cc5)c5nc(C(F)(F)C(F)(F)C(F)(F)F)nc6c(-c7ccc(C#N)cc7)cc(c4c65)C4=CC(c5ccc(C#N)cc5)=C5N=C(C(F)(F)C(F)(F)C(F)(F)F)N=C2C5C43)cc1,C1CCOC1,492.0
N#Cc1ccc(N)cc1,C1CCCCC1,283.0
N#Cc1ccc(N)cc1,CC#N,272.8545344
N#Cc1ccc(N)cc1,CCCCCC,260.9860012
N#Cc1ccc(N)cc1,CCO,276.0
N#Cc1ccc(N)cc1,O,283.0
N#Cc1ccc(N)cc1,OCC(F)(F)F,264.0
N#Cc1ccc(N=Nc2ccc(O)c3ncccc23)cc1,CS(C)=O,425.0
N#Cc1cccc(C#N)c1-c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc(-c4c(C#N)cccc4C#N)cc2)c2ccccc23)cc1,Cc1ccccc1,371.0306407
N#Cc1cccc2ccccc12,CCOC(C)=O,443.0
N#Cc1ccccc1C#Cc1cc(C#N)c(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1C#N,ClC(Cl)Cl,464.0
N#Cc1nc(N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c(C#N)nc1N(Cc1ccc(F)cc1)Cc1ccc(F)cc1,ClC(Cl)Cl,487.0
N#Cc1nc(N(Cc2ccccc2F)Cc2ccccc2F)c(C#N)nc1N(Cc1ccccc1F)Cc1ccccc1F,ClC(Cl)Cl,479.0
N#Cc1nc[nH]c1C#N,CC#N,320.0
N#Cc1nn(-c2ccccc2)nc1N1CCCC1,CC#N,340.0
N#Cc1nn(-c2ccccc2Cl)nc1N1CCCC1,CC#N,324.0
NC(Cc1ccc(O)cc1)C(=O)O,O,247.0
NCCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(O)cc1)C5=O,CN(C)C=O,525.0
NNc1ccccc1,C1CCOC1,213.0
Nc1c(O)cccc1C(=O)CC(N)C(=O)O,O,373.0
Nc1c(Oc2ccc(C(=O)O)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O,CO,518.0
Nc1cc([NH3+])cc(-c2nc3ccccc3s2)c1,O,300.0
Nc1ccc(/C=C/c2ccccc2)cc1,CC#N,318.0
Nc1ccc(/C=C/c2ccccc2)cc1,CCCCCC,316.0
Nc1ccc(Nc2nc(Nc3cccc4ccccc34)nc(Nc3cccc4ccccc34)n2)cc1,ClCCl,295.0
Nc1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,490.0
Nc1ccc2c(-c3ccc(F)c(Cl)c3)c3ccc(=[NH2+])cc-3oc2c1,O,505.0
Nc1ccc2c(-c3ccc(F)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,505.0
Nc1ccc2c(-c3ccc(OC4CCCCO4)cc3)c3ccc(=[NH2+])cc-3oc2c1,O,500.0
Nc1ccc2c(-c3cccc(F)c3)c3ccc(=[NH2+])cc-3sc2c1,O,525.0
Nc1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[NH2+])cc-3oc2c1,CC#N,500.0
Nc1ccc2c(c1)C(=O)c1ccccc1C2=O,CO,468.9
Nc1ccc2c(ccc3c(-c4ccc(N)c(N)c4)c4ccc5cc(N)ccc5c4[o+]c32)c1,O,600.0
Nc1ccc2nc3c4ccccc4c(=[NH2+])cc-3oc2c1,CCO,600.0
Nc1cccc2c1ccc1[n+]2[B-](F)(F)n2c-1cc1c3ccccc3c3ccccc3c12,ClCCl,468.0
Nc1ccccn1,CS(C)=O,310.0
Nc1cnccn1,CS(C)=O,321.0
Nc1n[n+]([O-])c2cc(F)ccc2[n+]1[O-],CC#N,489.0
Nc1n[n+]([O-])c2cc(F)ccc2[n+]1[O-],O,468.0
Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c(N=Nc2ccc([N+](=O)[O-])cc2)s1,CS(C)=O,537.0
Nc1nc2c(nc(-c3ccco3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1,CCOC(C)=O,294.0
O=C(/C=C(\O)c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1,Cc1ccccc1,441.0
O=C(CCCCCCNCC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)ON1C(=O)C=CC1=O,O,494.0
O=C(CCS)Nc1ccc2ncnc(Nc3ccccc3)c2c1,CCO,545.0
O=C(N/N=C/c1ccccc1O)c1ccccc1O,C1CCOC1,334.0
O=C(N/N=C/c1ccccc1O)c1ccccc1O,CC#N,335.0
O=C(N/N=C/c1ccccc1O)c1ccccc1O,CC(C)=O,331.0
O=C(N/N=C/c1ccccc1O)c1ccccc1O,CCO,400.0
O=C(N/N=C/c1ccccc1O)c1ccccc1O,CN(C)C=O,412.0
O=C(N/N=C/c1ccccc1O)c1ccccc1O,CS(C)=O,385.0
O=C(N/N=C/c1ccccc1O)c1ccccc1O,ClCCl,335.0
O=C(NCC12CC3CC(C1)CC(CNC(=O)Nc1c4ccccc4cc4ccccc14)(C3)C2)Nc1c2ccccc2cc2ccccc12,CS(C)=O,412.0
O=C(O)/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1nnn[nH]1,ClCCl,384.0
O=C(O)C(F)(F)F,ClCCl,358.0
O=C(O)C1=CC2=C3C=C(C(=O)O)C=CN3[Ru]3(N=C=S)(N=C=S)(N2C=C1)N1C=CC(C(=O)O)=CC1=C1C=C(C(=O)O)C=CN13,CCO,539.0
O=C(O)C1=CC2=C3C=C(C(=O)O)C=CN3[Ru]3(N=C=S)(N=C=S)(N2C=C1)N1C=CC(C(=O)O)=CC1=C1C=C(C(=O)O)C=CN13,CN(C)C=O,525.0
O=C(O)C1=CC=C(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)CC1,CC#N,416.0
O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,C1CCCCC1,363.0
O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,C1CCOC1,382.0
O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,C1COCCO1,384.0
O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,CC#N,381.0
O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,CCCCCCC,365.0
O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,CO,378.0
O=C(O)C1CCCN1C(=O)c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1,O,377.0
O=C(O)CC(C(=O)O)c1ccc2c3n4c(c2c1)/N=C1\N=C(/N=c2/c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5/c(n2[Zn]4)=N/C2=N/C(=N\3)c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21,C1CCOC1,681.0
O=C(O)CCCCCNS(=O)(=O)c1ccc(-c2c3cc4c5c(c3[o+]c3c6c7c(cc23)CCCN7CCC6)CCCN5CCC4)c(S(=O)(=O)O)c1,CCO,581.0
O=C(O)CCCCCNS(=O)(=O)c1ccc(-c2c3cc4c5c(c3[o+]c3c6c7c(cc23)CCCN7CCC6)CCCN5CCC4)c(S(=O)(=O)[O-])c1,CCO,581.0
O=C(O)CCCCC[n+]1ccccc1-c1nc2c(o1)c(S(=O)(=O)[O-])cc1cc(S(=O)(=O)[O-])ccc12,O,368.0
O=C(O)CCc1ccc2n1[B-](F)(F)[N+]1=C(c3ccccc3)C=CC1=C2,CO,528.0
O=C(O)CN1/C(=C/C2=C([O-])/C(=C/c3[se]c4ccccc4[n+]3CC(=O)O)C2=O)[Se]c2ccccc21,CO,685.0
O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)SC1=S,C1CCOC1,394.0
O=C(O)COc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OCC(=O)O)c4)c4nc(cc5ccc2[nH]5)CC4)C=C3)c1,CS(C)=O,644.0
O=C(O)C[C@H]1C(=O)/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)SC1=S,ClCCl,476.0
O=C(O)N1C(=O)/C(=C/c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)SC1=S,ClCCl,503.0
O=C(O)c1cc(C2N=C3Oc4c(cc5c6c4CCCN6CCC5)C=C3c3nc4ccccc4n32)ccc1O,CS(C)=O,454.0
O=C(O)c1cc(N=C=S)ccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12,O,532.0
O=C(O)c1cc2c(cc1C(=O)O)/N=C/c1cc(N(c3ccccc3)c3ccccc3)ccc1O[Zn]Oc1ccc(N(c3ccccc3)c3ccccc3)cc1/C=N/2,C1CCOC1,470.0
O=C(O)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1,ClC(Cl)Cl,646.0
O=C(O)c1ccc(-c2ccc3c(c2)[nH]c2cc(N(c4ccccc4)c4ccccc4)ccc23)cc1,C1COCCO1,374.0
O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,CO,312.0
O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(N(c4ccccc4)c4ccccc4)cc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C2/C=CC(=N2)/C=4c2ccc(C(=O)O)cc2)cc1,C1CCOC1,601.0
O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccccc2)=C2/C=CC(=N2)/C=4c2ccccc2)cc1,ClC(Cl)Cl,594.0
O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c4n3[Zn]n3c(ccc32)/C(c2ccccc2)=C2/C=CC(=N2)/C=4c2ccccc2)cc1,ClCCl,583.0
O=C(O)c1ccc(/C=C/c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1,C1CCOC1,385.0
O=C(O)c1ccc(C#C/C2=c3\cc/c4n3[Zn]n3c(ccc3/C(N(c3ccccc3)c3ccccc3)=C3/C=CC(=N3)/C=4c3ccccc3)/C(c3ccccc3)=C3/C=CC2=N3)cc1O,C1CCOC1,640.0
O=C(O)c1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1,C1CCOC1,367.0
O=C(O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1,O,492.0
O=C(O)c1ccc(N=Nc2ccccc2)cc1,CC#N,444.0
O=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12,CCO,525.0
O=C(ON1C(=O)C=CC1=O)c1cc2ccc(O)cc2oc1=O,CO,419.0
O=C(ON1C(=O)C=CC1=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1,O,496.0
O=C(ON1C(=O)CCC1=O)c1cc(Cl)c(C(=O)O)c(-c2c3cc(Cl)c(=O)c(Cl)c-3oc3c(Cl)c(O)c(Cl)cc23)c1Cl,O,533.0
O=C([O-])c1ccc2cc3cc(C(=O)[O-])ccc3cc2c1,CN(C)C=O,392.0
O=C([O-])c1ccccc1C1=c2cc3c(cc2Oc2cc4c(cc21)CCCN4)=[NH+]CCC3,O,538.0
O=C(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1,Cc1ccccc1,340.0
O=C(c1ccc2ccccc2c1)c1nn(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc1-c1ccccc1,C1CCOC1,364.0
O=C(c1ccccc1)c1cc2ccccc2oc1=O,CCOC(C)=O,414.0
O=C(c1ccccc1)c1ccccc1,CCOC(C)=O,526.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CC#N,510.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CC(C)=O,515.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CC(C)O,535.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CCCCCC,457.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CCCCO,543.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CCCO,541.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CCO,538.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CCOC(C)=O,495.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CCOCC,494.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CN(C)C=O,532.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CO,523.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,CS(C)=O,539.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,Cc1ccccc1,505.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,ClCCl,529.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,OCC(F)(F)F,584.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,S=C=S,530.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,c1ccccc1,510.0
O=C1/C(=C/C=C/c2cc3c4c(c2)CCCN4CCC3)CC/C1=C\C=C\c1cc2c3c(c1)CCCN3CCC2,c1ccncc1,534.0
O=C1/C(=C\c2ccc3oc4ccccc4c3c2)S(=O)(=O)c2ccccc21,C1CCOC1,368.0
O=C1/C(=C\c2ccc3oc4ccccc4c3c2)S(=O)(=O)c2ccccc21,C1COCCO1,369.0
O=C1/C(=C\c2ccc3oc4ccccc4c3c2)S(=O)(=O)c2ccccc21,CC#N,365.0
O=C1/C(=C\c2ccc3oc4ccccc4c3c2)S(=O)(=O)c2ccccc21,CC(C)=O,365.0
O=C1/C(=C\c2ccc3oc4ccccc4c3c2)S(=O)(=O)c2ccccc21,CCOC(C)=O,366.0
O=C1/C(=C\c2ccc3oc4ccccc4c3c2)S(=O)(=O)c2ccccc21,CN(C)C=O,367.0
O=C1/C(=C\c2ccc3oc4ccccc4c3c2)S(=O)(=O)c2ccccc21,CO,367.0
O=C1/C(=C\c2ccc3oc4ccccc4c3c2)S(=O)(=O)c2ccccc21,CS(C)=O,369.0
O=C1/C(=C\c2ccc3oc4ccccc4c3c2)S(=O)(=O)c2ccccc21,Cc1ccccc1,373.0
O=C1/C(=C\c2ccc3oc4ccccc4c3c2)S(=O)(=O)c2ccccc21,ClC(Cl)Cl,378.0
O=C1/C(=C\c2ccc3oc4ccccc4c3c2)S(=O)(=O)c2ccccc21,ClCCl,372.0
O=C1C(Cl)=C(N(Cc2ccccc2)Cc2ccccc2)C(=O)C(Cl)=C1N(Cc1ccccc1)Cc1ccccc1,ClC(Cl)Cl,479.0
O=C1C2=C3c4sccc4C=CN3C(=O)C2=C2c3sccc3C=CN12,CN(C)C=O,605.0
O=C1C2=C3c4sccc4C=CN3C(=O)C2=C2c3sccc3C=CN12,ClC(Cl)Cl,605.0
O=C1C=C(Nc2cc(F)ccc2F)C(=O)c2ccccc21,CCCCCC,430.0
O=C1C=C(Nc2cc(F)ccc2F)C(=O)c2ccccc21,CO,450.0
O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21,CO,451.0
O=C1C=C(Nc2cccc(F)c2F)C(=O)c2ccccc21,CCCCCC,428.0
O=C1C=C(Nc2cccc(F)c2F)C(=O)c2ccccc21,CO,439.0
O=C1CC(=O)Nc2cc(C(=O)O)ccc2N1,CS(C)=O,304.0
O=C1CCC(=O)N1,CC#N,191.0
O=C1NC(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccc(/C=C4/SC(=O)NC4=O)cc3)cc2)S1,C1CCOC1,446.0
O=C1NC(=O)/C(=C/c2ccc(N(c3ccccc3)c3ccc(/C=C4\SC(=O)NC4=O)cc3)cc2)S1,C1CCOC1,446.0
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,C1CCOC1,400.0
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,CC#N,402.0
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,CC(C)OC(C)C,391.0
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,CCCCOCCCC,393.0
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,CCO,405.0
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,CCOC(C)=O,398.0
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,CN(C)C=O,409.0
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,Cc1ccccc1,398.0
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21,ClCCl,401.0
O=C1NC(c2ccc(Cl)cc2)=C2C(=O)OC(c3ccc(Cl)cc3)=C12,CS(C)=O,495.0
O=C1NC(c2ccccc2)=C/C1=C\c1ccccc1,C1COCCO1,422.0
O=C1O/C(=C2/C(=O)Oc3ccccc32)C(O)=C1c1ccccc1,ClC(Cl)Cl,388.0
O=C1c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2C(=O)N1c1ccccc1,Cc1ccccc1,388.0
O=C1c2cc(F)ccc2-c2cnccc21,CC#N,408.6090753
O=C1c2cc(F)ccc2-c2cnccc21,CCCCCC,408.6090753
O=C1c2ccc3c4c(Oc5ccccc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1c1ccc(O)cc1)c64)C(=O)N(c1ccc(O)cc1)C5=O,C1CCOC1,513.0
O=C1c2ccc3c4c(Oc5ccccc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1c1ccc(O)cc1)c64)C(=O)N(c1ccc(O)cc1)C5=O,CN(C)C=O,495.0
O=C1c2ccc3c4c(Oc5ccccc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1c1ccc(O)cc1)c64)C(=O)N(c1ccc(O)cc1)C5=O,CN1CCCC1=O,487.0
O=C1c2ccccc2-c2c(-c3ccccc3O)[nH]c(=O)n21,CC#N,393.0
O=C1c2ccccc2-c2c(-c3ccccc3O)[nH]c(=O)n21,CO,396.0
O=C1c2ccccc2-c2c(-c3ccccc3O)[nH]c(=O)n21,ClCCl,394.0
O=C1c2ccccc2-c2cc3ccccc3c(=O)n21,CC#N,377.0
O=C1c2ccccc2-c2cc3ccccc3c(=O)n21,CO,379.0
O=C1c2ccccc2-c2cc3ccccc3c(=O)n21,CS(C)=O,382.0
O=C1c2ccccc2-c2cc3ccccc3c(=O)n21,ClC(Cl)Cl,379.0
O=C1c2ccccc2C(=O)c2c(NCCNc3nc(Cl)nc(Cl)n3)cccc21,ClCCl,497.0
O=C1c2ccccc2C2=C(c3ccccn3)NN=C(c3ccccn3)C2c2ccccc21,CC#N,424.0
O=Cc1c2ccccc2n2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12,CC#N,410.0
O=Cc1c2ccccc2n2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12,CS(C)=O,400.0
O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,C1COCCO1,512.0
O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CC#N,525.0
O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CC(C)=O,521.0
O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CCCCCC,498.0
O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CCO,522.0
O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CCOC(C)=O,514.0
O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CO,523.0
O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,CS(C)=O,535.0
O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,Cc1ccccc1,516.0
O=Cc1cc(C=O)c2ccc3c(N4CCCCC4)cc(N4CCCCC4)c4ccc1c2c43,ClCCl,534.0
O=Cc1ccc(-c2[o+]c3c(-c4ccc(C=O)cc4)c(-c4ccc(C=O)cc4)c4cccc5ccc(c2-c2ccc(C=O)cc2)c3c54)cc1,ClCCl,485.0
O=Cc1ccc(-c2c3ccccc3nn2-c2ccccc2)o1,CC#N,364.0
O=Cc1ccc(-c2c3ccccc3nn2-c2ccccc2)o1,ClCCl,370.0
O=Cc1ccc(-c2ccc3c(c2)C(=O)c2cc(-c4ccc(C=O)cc4)ccc2-3)cc1,C1CCOC1,344.0
O=Cc1ccc(C#CC(C#Cc2ccc(C=O)s2)=Cc2ccc(C=C(C#Cc3ccc(C=O)s3)C#Cc3ccc(C=O)s3)cc2)s1,ClC(Cl)Cl,456.0
O=P(c1ccccc1)(c1ccccc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1,Cc1ccccc1,368.0
O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,C1CCCCC1,434.0
O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,C1CCOC1,437.0
O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,C1COCCO1,436.0
O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,CC#N,434.0
O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,CC(C)=O,435.0
O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,CO,444.0
O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,Cc1ccccc1,441.0
O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,ClC(Cl)Cl,441.0
O=P1(c2ccccc2)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=Cc2c3ccc4cccc5ccc(c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)n1c26)c3c45,ClCCl,437.0
O=P1(c2ccccc2)C(c2ccccc2)=Cc2ccccc21,C1CCOC1,347.0
O=P1(c2ccccc2)C(c2ccccc2)=Cc2ccccc21,ClCCl,350.0
O=P1(c2ccccc2)c2cc(N3c4ccccc4Sc4ccccc43)ccc2-c2ccc(N3c4ccccc4Sc4ccccc43)cc21,Cc1ccccc1,399.0
O=S(=O)([O-])CCCOc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)cc(-c5ccc(OCc6cn([C@@H]7O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]7O)nn6)cc5)n4[B-]3(F)F)C(c3ccccc3)=C2)cc1,O,689.0
O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,C1CCOC1,368.0
O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CC#N,368.0
O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CC(C)=O,368.0
O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CC(C)OC(C)C,368.0
O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CCCCCC,368.0
O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CCCCOCCCC,368.0
O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CCN(CC)CC,368.0
O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CCOC(C)=O,368.0
O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CCOCC,368.0
O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,CN(C)C=O,368.0
O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,ClC(Cl)Cl,368.0
O=S(=O)(c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)cc1,ClCCl,368.0
O=S(=O)(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1,C1CCOC1,323.0
O=S(=O)(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1,Cc1ccccc1,338.0
O=S(=O)(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1,ClC(Cl)Cl,338.0
O=S(=O)(c1cccc(N2N=C(c3ccc(Cl)cc3)CC2c2ccco2)c1)c1cccc(N2N=C(c3ccc(Cl)cc3)CC2c2ccco2)c1,ClCCl,357.0
O=[N+]([O-])c1cc(Cl)ccc1-c1cc2n(c1)[B-](F)(F)[N+]1=CC=CC1=C2c1ccccc1,ClCCl,517.0
O=[N+]([O-])c1ccc(-c2cnc3cc(O)c(-c4nc5ccccc5[nH]4)cc3c2)cc1,CCO,340.0
O=[N+]([O-])c1ccc(-c2sc(-c3ccc([N+](=O)[O-])cc3)c3c2OCCO3)cc1,ClCCl,374.0
O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2C(c2ccccc2)c2ccccc2)s1,C1CCOC1,457.0
O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2C(c2ccccc2)c2ccccc2)s1,CC#N,459.0
O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2C(c2ccccc2)c2ccccc2)s1,CCCCCC,433.0
O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2C(c2ccccc2)c2ccccc2)s1,CS(C)=O,472.0
O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2C(c2ccccc2)c2ccccc2)s1,Cc1ccccc1,452.0
O=[N+]([O-])c1ccc(-c2sc(N(c3ccccc3)c3ccccc3)nc2C(c2ccccc2)c2ccccc2)s1,ClCCl,466.0
O=[N+]([O-])c1ccc(/C=C/C=C/c2ccccc2)cc1,C1CCOC1,374.0
O=[N+]([O-])c1ccc(/C=C/C=C/c2ccccc2)cc1,C1COCCO1,375.0
O=[N+]([O-])c1ccc(/C=C/C=C/c2ccccc2)cc1,CC#N,378.0
O=[N+]([O-])c1ccc(/C=C/C=C/c2ccccc2)cc1,CCCCCCC,370.0
O=[N+]([O-])c1ccc(/C=C/C=C/c2ccccc2)cc1,CN(C)C=O,383.0
O=[N+]([O-])c1ccc(/C=C/C=C/c2ccccc2)cc1,CO,379.0
O=[N+]([O-])c1ccc(C=NN=Cc2ccc3ccccc3c2)cc1,C1COCCO1,328.0
O=[N+]([O-])c1ccc(N(CCCl)CCCl)c2nonc12,CCO,475.0
O=[N+]([O-])c1ccc(N=Nc2ccc(O)c3ncccc23)cc1,CS(C)=O,445.0
O=[N+]([O-])c1ccc(NCCNCc2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1,C1CCCCC1,368.0
O=[N+]([O-])c1ccc(NCCNCc2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1,C1CCOC1,349.0
O=[N+]([O-])c1ccc(NCCNCc2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1,CC#N,364.0
O=[N+]([O-])c1ccc(NCCNCc2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1,CC(C)=O,364.0
O=[N+]([O-])c1ccc(NCCNCc2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1,CCO,364.0
O=[N+]([O-])c1ccc(NCCNCc2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1,CN(C)C=O,363.0
O=[N+]([O-])c1ccc(NCCNCc2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1,CO,348.0
O=[N+]([O-])c1ccc(NCCNCc2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1,ClC(Cl)Cl,350.0
O=[N+]([O-])c1ccc2nc(N=Nc3cccc(Cl)c3)sc2c1,CO,343.0
O=[N+]([O-])c1ccc2nc(N=Nc3ccccc3)sc2c1,CO,349.0
O=[N+]([O-])c1ccccc1C1=CC2=C(c3ccccc3)c3cccn3[B-](F)(F)[N+]2=C1,ClCCl,517.0
O=[N+]([O-])c1ccccc1COc1ccc(Cl)cc1/C=N/N=C/c1cc(Cl)ccc1OCc1ccccc1[N+](=O)[O-],C1CCOC1,355.0
O=[N+]([O-])c1ccco1,CO,302.0
O=[N+]([O-])c1ccco1,O,313.0
O=[Ti+2],CS(C)=O,689.0
O=[Ti],C1CCOC1,697.0
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1-c1cc2ccccc2s1,C1COCCO1,322.0
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1-c1cc2ccccc2s1,CC#N,321.0
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1-c1cc2ccccc2s1,CO,321.0
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1-c1cc2ccccc2s1,O,318.0
O=c1c(=O)c2cc(Br)cc3c2-c2c1cc(Br)cc2c(=O)c3=O,CN(C)C=O,290.0
O=c1c(=O)c2cccc3c2-c2c1cccc2c(=O)c3=O,CN(C)C=O,290.0
O=c1c2cc(S(=O)(=O)O)ccc2[nH]c2ccc(S(=O)(=O)O)cc12,CS(C)=O,399.0
O=c1c2cc(S(=O)(=O)O)ccc2[nH]c2ccc(S(=O)(=O)O)cc12,O,396.0
O=c1c2cccc3cccc(c32)c2nc3c4ccccc4c4ccccc4c3n12,ClCCl,436.0
O=c1c2ccccc2c2c3c(cccc13)c(-c1ccccc1)c1c3cccc4cccc(c43)c12,CC#N,462.0
O=c1c2ccccc2c2c3c(cccc13)c(-c1ccccc1)c1c3cccc4cccc(c43)c12,CO,461.0
O=c1c2ccccc2c2nc3cc4c(C#C[Si](C5CCCCC5)(C5CCCCC5)C5CCCCC5)c5cc6nc7c8ccccc8c(=O)c8ccccc8c7nc6cc5c(C#C[Si](C5CCCCC5)(C5CCCCC5)C5CCCCC5)c4cc3nc2c2ccccc12,ClCCl,731.0
O=c1cc2cc(O)c3cc(O)cc4ccc(o1)c2c43,CC1CCCO1,476.0
O=c1nc(-c2ccc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)cc2)c2c(=O)nc(-c3ccccc3)c1=2,CCO,543.0
O=c1nc(-c2ccc(S(=O)(=O)Nc3ccc(O)c(Cl)c3)cc2)c2c(=O)nc(-c3ccccc3)c1=2,CCO,541.0
O=c1oc2cc3c(cc2cc1/C=C/c1ccccc1)OCO3,CC#N,369.0
O=c1oc2ccccc2cc1-c1cc2ccccc2o1,CC#N,366.0
O=c1oc2ccccc2cc1-c1cc2ccccc2o1,CCOC(C)=O,368.0
O=c1oc2ccccc2cc1-c1cc2ccccc2o1,CS(C)=O,371.0
O=c1oc2ccccc2cc1-c1cc2ccccc2o1,Cc1ccccc1,373.0
O=c1oc2ccccc2cc1-c1cc2ccccc2o1,O,365.0
O=c1oc2ccccc2cc1/C=C/c1ccc([N+](=O)[O-])cc1,CC#N,371.0
OC1(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)CC1,C1CCOC1,313.0
OC1(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)CC1,CC#N,309.0
OC1(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)CC1,CCCCCC,307.0
OC1(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)CC1,CCO,311.5
OC1(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)CC1,OCCOCCO,311.0
OC1(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)CC1,c1ccncc1,314.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C1CCOC1,314.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,C1COCCO1,311.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,CC#N,321.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,CC(C)=O,314.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,CCCCO,319.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,CCCO,320.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,CCO,323.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,CCOC(C)=O,312.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,CCOCC,312.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,CN(C)C=O,314.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,CO,325.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,CS(C)=O,316.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,Cc1ccccc1,312.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,ClC(Cl)Cl,312.0
OCC1O[C@@H](Cc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O,O,327.0
OCc1cc(/N=N\c2ccc(-c3c4ccccc4cc4ccccc34)cc2F)ccc1O,CS(C)=O,324.0
O[Si](O)(c1ccc(N=Nc2ccccc2)cc1)c1ccc(N=Nc2ccccc2)cc1,CC#N,445.0
Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,C1CCOC1,381.0
Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,CC#N,379.0
Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,CCCCCC,382.0
Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,CO,378.0
Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,CS(C)=O,383.0
Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,Cc1ccccc1,383.0
Oc1cc2c(cc1-c1nc3c4ccccc4c4ccccc4c3[nH]1)c1ccccc1n2-c1ccccc1,ClCCl,383.0
Oc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1-c1nc2ccccc2o1,Cc1ccccc1,320.0
Oc1ccc(-c2ccccc2)cc1-c1ncc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)o1,Cc1ccccc1,368.0
Oc1ccc(Br)cc1O,C1CCOC1,287.0
Oc1ccc(C2=N[N+]3=Cc4c(ccc5ccccc45)O[B-]3(c3ccc([B-]45OC(c6ccc(O)cc6)=N[N+]4=Cc4c(ccc6ccccc46)O5)cc3)O2)cc1,C1CCOC1,424.0
Oc1ccc(N=Nc2ccc(Cl)cc2)c2cccnc12,CS(C)=O,406.0
Oc1ccc(N=Nn2ccnn2)c2cccnc12,CO,487.0
Oc1ccc(O)c(/C2=C3\C=CC(=N3)/C(c3cc(O)ccc3O)=c3/cc/c4n3[Zn]n3c2ccc3/C(c2cc(O)ccc2O)=C2/C=CC(=N2)/C=4c2cc(O)ccc2O)c1,CCO,424.0
Oc1ccccc1-c1nc2ccccc2s1,CCO,333.0
Oc1ccccc1-c1nc2ccccc2s1,ClCCl,333.0
Oc1ccccc1-c1nc2ccccc2s1,O,328.0
Oc1ccccc1N=NC1=CC=C2N=[N+](c3ccccc3O)[B-](F)(F)C12,C1CCOC1,491.0
Oc1ccccc1O,C1CCOC1,278.0
[2H]CC1=C(n2ccc(=O)[nH]c2=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C,CO,255.0
[Ce+3],ClC(Cl)Cl,652.0
[H],ClC(Cl)Cl,477.0
[NH2+]=c1cc2oc3cc(N4CCCC4)ccc3nc-2c2ccccc12,O,643.0
[NH2+]=c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3c(cc4n3CCCCCC=C4)oc-2c1,O,530.0
[NH2+]=c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccc(O)cc3oc-2c1,O,500.0
[O-][n+]1c(-c2ccccc2)cc(N2CCOCC2)nc1/C=C/c1ccccc1,ClCCl,445.0
[SiH2]=[Mo]=[SiH2],CC(C)=O,448.0
c1cc(-c2c3ccccc3cc3ccccc23)cc(-c2c3ccccc3cc3ccccc23)c1,C1CCOC1,387.0
c1cc2c(C3SCCCS3)c3ccc(=[N+]4CCCCC4)cc-3oc2cc1N1CCCCC1,CO,583.6523539
c1cc2c(N3CCCCC3)c3ccc(=[N+]4CCCCC4)cc-3oc2cc1N1CCCCC1,ClCCl,491.0
c1cc2c3c(c1)-c1cccc4cccc(c14)B3c1cccc3cccc-2c13,Cc1ccccc1,466.0
c1cc2c3c(c1)ccc1[n+]3[B-]3(Oc4cccc5ccc6[n+](c45)[B-](O2)(O3)n2c-6cc3c4ccccc4c4ccccc4c32)n2c-1cc1c3ccccc3c3ccccc3c12,ClCCl,472.0
c1cc2c3c(cccc3c1)-c1c-2ccc2ccc3ccccc3c12,CCCCCCC,408.0
c1cc2c3c(cccc3c1)NC(c1ccc3ccc4cccc5ccc1c3c45)N2,CC#N,341.0
c1cc2c3c(cccc3c1)NC(c1ccc3ccc4cccc5ccc1c3c45)N2,CO,340.0
c1cc2c3c(cccc3c1)NC(c1ccc3ccc4cccc5ccc1c3c45)N2,CS(C)=O,344.0
c1cc2c3c(cccc3c1)NC(c1ccc3ccc4cccc5ccc1c3c45)N2,Cc1ccccc1,344.0
c1cc2ccc3cc(-c4ccncc4)cc4ccc(c1)c2c34,Cc1ccccc1,338.0
c1ccc(-c2c3c(nc4ccccc24)-c2cc4c(cc2CC3)-c2nc3ccccc3c(-c3ccccc3)c2CC4)cc1,ClC(Cl)Cl,376.0
c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5ccccc45)c4ccccc34)c3ccccc23)cc1,ClCCl,442.0
c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,C1CCOC1,362.0040544
c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CC#N,359.99712
c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CCC#N,359.99712
c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CCCC#N,359.99712
c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CCCCCC,360.9977979
c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CCCO,360.9977979
c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CCO,360.9977979
c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,CO,363.0027588
c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccn7)c6)ccc6ccc3c4c65)ccn2)nc1,Cc1ccccc1,362.0040544
c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1,CC#N,403.0
c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1,CCO,417.0
c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1,ClCCCl,420.0
c1ccc(-c2cc(-c3ccccc3N(c3ccccc3)c3ccccc3)c(-c3ccccc3)cc2-c2ccccc2N(c2ccccc2)c2ccccc2)cc1,ClCCl,415.0
c1ccc(-c2cc3cc4cc(-c5ccccc5)c5cccc6c5c4c4c3c3c(cccc23)NB4N6)cc1,ClCCl,450.0
c1ccc(-c2cc3cc4ccccc4cc3p2-c2ccccc2)cc1,ClCCl,378.0
c1ccc(-c2cc3cccc[n+]3[b-]3ccc(-c4cc[b-]5c(c4)c(-c4ccccc4)cc4cccc[n+]54)cc32)cc1,C1CCCCC1,517.0
c1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)c3nsnc23)cc1,Cc1ccccc1,414.0
c1ccc(-c2cccc(N3c4cc(-c5ccccc5)ccc4B4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5ccccc5)c5cccc3c54)c2)cc1,ClCCl,444.0
c1ccc(-c2cccc3c2n[n+](-c2ccccc2)c2ccccc32)cc1,ClCCl,485.0
c1ccc(-c2cccc3cnc(-c4ccccc4)n23)cc1,ClCCl,337.0
c1ccc(-c2cnc3nn4ccccc4c3n2)cc1,C1CCOC1,400.0
c1ccc(-c2cnn(-c3ccncc3)n2)cc1,CO,300.0
c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)c(-c7ccccc7)o6)cc5)cc4)cc3)oc2-c2ccccc2)cc1,C1COCCO1,352.0
c1ccc(-c2nc(-c3ccc(-c4cncc5ccccc45)cc3)[nH]c2-c2ccccc2)cc1,C1CCOC1,333.0
c1ccc(-c2nc(-c3cccc4ccccc34)n3ccccc23)cc1,C1CCCCC1,362.0
c1ccc(-c2nc(-c3cccc4ccccc34)n3ccccc23)cc1,CC#N,355.0
c1ccc(-c2nc(-c3cccc4ccccc34)n3ccccc23)cc1,CO,350.0
c1ccc(-c2nc(-c3cccc4ccccc34)n3ccccc23)cc1,ClCCl,357.0
c1ccc(-c2nc(-c3cccc4ccccc34)n3ccccc23)cc1,O,367.0
c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,CC#N,311.8333333333333
c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,CO,311.5
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c4c5ccccc5n(-c5ccccc5)c34)n2)cc1,Cc1ccccc1,378.0653951
c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc64)c4ccccc4C4(c6ccccc6Sc6ccccc64)c4ccccc45)cc3)n2)cc1,Cc1ccccc1,394.6327684
c1ccc(-c2nc(-c3nc(-c4ccccc4)c(-c4ccccc4)o3)oc2-c2ccccc2)cc1,C1COCCO1,343.0
c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccccc6)oc5c4)cc3o2)cc1,CCCCCCC,330.0
c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1,Cc1ccccc1,345.0
c1ccc(-c2nc3sc4ccccc4c3s2)cc1,CS(C)=O,348.0
c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,C1CCCCC1,448.0286738
c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,C1CCOC1,447.0272687
c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,CC#N,445.0378282
c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,CC(C)=O,446.0303301
c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,CCCCCl,448.0286738
c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,CCCCOCCCC,447.0272687
c1ccc(-c2nn(-c3ccccc3)c3nc4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4cc23)cc1,CN(C)C=O,448.0286738
c1ccc(-c2oc3ccc4c(ccc5oc(-c6ccccc6)c(-c6ccccc6)c54)c3c2-c2ccccc2)cc1,ClCCl,380.0
c1ccc(-c2pc3ccccc3s2)cc1,CC#N,330.0
c1ccc(-n2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c5ccccc45)c3)nc3c4ccccc4c4ccccc4c32)cc1,ClCCl,396.0
c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6cccnc6c6c7sc8ccccc8c7ccc65)c4)ccc32)cc1,ClCCl,365.0
c1ccc(C2=Nc3cccc4[n+]3[B-](c3ccccc3)(N2)NC(c2ccccc2)=N4)cc1,ClCCl,440.0
c1ccc(CSc2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1,ClCCl,598.0
c1ccc(C[n+]2cc3cccc4c5ccccc5c2n34)cc1,CO,398.0
c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nsnc34)cc2)cc1,ClCCl,459.0
c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1,ClCCl,354.0
c1ccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1,ClCCl,379.0
c1ccc(N(c2ccccc2)c2ccccc2-c2cc(-c3cccs3)c(-c3ccccc3N(c3ccccc3)c3ccccc3)cc2-c2cccs2)cc1,CN(C)C=O,412.0
c1ccc(N2N=C(c3ccc4ccc5cccc6ccc3c4c56)CC2c2ccc3ccc4cccc5ccc2c3c45)cc1,ClCCl,422.0
c1ccc(N=Nc2c(-c3ccccc3)[nH]c3ccccc23)cc1,CS(C)=O,400.0
c1ccc([B-]2(c3ccccc3)Oc3ccc4ccccc4c3-c3c4ccccc4cn[n+]32)cc1,Cc1ccccc1,436.0
c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1,CC#N,342.0
c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1,ClCCl,343.0
c1ccc2[nH]cnc2c1,ClCCl,602.0
c1ccc2c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)cccc2c1,ClCCl,375.0
c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2Sc2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21,ClCCl,341.0
c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccnc21,CC1CCCO1,313.0
c1ccc2c(c1)C1c3ccccc3C2c2ccccc21,CC1CCCO1,354.0
c1ccc2c(c1)[nH]c1cnccc12,CO,310.0
c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccncn3)s2)cc1,CS(C)=O,367.0
c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cc2c3ccccc3n3c4ccccc4c(c1)c23,C1CCOC1,344.0
c1ccc2c(c1)nc1c3ccccc3c3ccccc3n21,CC#N,329.0
c1ccc2cc(-c3c4ccccc4c(-c4nccc5ccccc45)c4ccccc34)ccc2c1,ClCCl,375.0
c1ccc2nc3nc4c(cc3cc2c1)CCC4,CN(C)C=O,360.0
c1ccccc1,C1CCCCC1,255.0
c1ccccc1,CS(C)=O,652.0
c1cnc(-c2c3ccccc3c(-c3ncccn3)c3ccccc23)nc1,CCO,389.0
c1cnc(-c2c3ccccc3c(-c3ncccn3)c3ccccc23)nc1,ClCCl,389.0
c1cnc2c(c1)c1nc3ccc4ccc(N5CCOCC5)cc4c3nc1c1cccnc12,O=C(O)C(F)(F)F,538.0
c1cnc2nc(-c3ccc(N4CCCCC4)cc3)nn2c1,ClCCl,349.0
c1csc(-c2ccc(N=Nc3nc4ccccc4s3)s2)c1,C1COCCO1,517.0
|