0 B26R3.67036777 N#C\C(=C/c1cc(OC)c(cc1Br)O)\c2nc3c([nH]2)ccc(c3)C Amb1036374 [0,0,0,0,0,0|0,0,0]=0 1 B26R3.67036777 N#C\C(=C\c1cc(OC)c(cc1Br)O)\c2nc3c([nH]2)ccc(c3)C Amb10243977 [0,0,0,0,0,0|0,0,0]=0 2 B25R3.35908166 N#C\C(=C/c1cc(C)c(cc1C)C)\c2[nH]c3c(n2)cc(cc3)C Amb1034283 [1,0,0,0,0,0|2,0,0]=3 3 B25R3.362531453 COc1cc(\C=C(\c2nc3c([nH]2)cccc3)/C#N)c(cc1O)Br Amb1028658 [1,0,0,0,0,0|0,0,0]=1 4 B27R3.98704539 Cc1cc2[n]c([nH]c2cc1)\C(=C/c3cc(OCC)c(O)cc3Br)\C#N Amb23501776 [0,1,0,0,0,0|0,0,0]=1 5 B27R3.444566479 Cc1cc2[n]c([nH]c2cc1)\C(=C\c3cc(OC)c(cc3Br)OC)\C#N Amb22282575 [0,1,0,0,0,0|0,0,0]=1 6 B27R3.444566479 N#C\C(=C/c1cc(OC)c(cc1Br)OC)\c2nc3c([nH]2)ccc(c3)C Amb1026596 [0,1,0,0,0,0|0,0,0]=1 7 B27R3.1131298117 N#C\C(=C/c1cc(OC)c(cc1Br)O)\c2[nH]c3c(n2)cc(c(c3)C)C Amb10773827 [0,1,0,0,0,0|0,0,0]=1 8 B27R4.32811621 Cc1cc2[nH]c([n]c2cc1)\C(=C\c3cc4OCOc4cc3Cl)\C#N Amb20228989 [0,0,0,1,0,0|0,1,2]=4 9 B27R4.32811621 N#C\C(=C/c1cc2OCOc2cc1Br)\c3nc4c([nH]3)ccc(c4)C Amb1021429 [0,0,0,1,0,0|0,0,0]=1 10 B27R4.32811621 N#C\C(=C\c1cc2OCOc2cc1Cl)\c3nc4c([nH]3)ccc(c4)C Amb1882660 [0,0,0,1,0,0|0,1,0]=2 11 B24R2.75511 N#C\C(=C/c1ccc(c(c1)OC)O)\C(=O)Nc2ccc(cc2)C Amb2458146 [1,0,1,0,0,0|1,0,0]=3 12 B24R2.75511 N#C\C(=C\c1ccc(c(c1)OC)O)\C(=O)Nc2ccc(cc2)C Amb10596874 [1,0,1,0,0,0|1,0,0]=3 13 B24R2.75511 N#C\C(=C\c1ccc(c(c1)OC)O)\C(=O)Nc2ccc(cc2)F Amb1871774 [1,0,1,0,0,0|2,0,0]=4 14 B24R3.47461935 N#C\C(=C/c1cccc(c1)OC)\c2nc3c([nH]2)cc(cc3)C Amb1028373 [2,0,0,0,0,0|0,0,2]=4 15 B24R3.69769831 COc1cc(\C=C(\C#N)/c2[n]c3ccccc3o2)ccc1O Amb22080522 [2,0,0,0,0,0|1,0,0]=3 16 B24R3.69769831 COc1cc(ccc1O)\C=C(\c2nc3c([nH]2)cccc3)/C#N Amb1782509 [2,0,0,0,0,0|0,0,0]=2 17 B24R3.69769831 N#C\C(=C/c1ccc(c(c1)OC)O)\c2nc3c(o2)cccc3 Amb1208247 [2,0,0,0,0,0|1,0,0]=3 18 B24R3.69769831 N#C\C(=C/c1ccc(c(c1)OC)O)\c2nc3c(s2)cccc3 Amb1585042 [2,0,0,0,0,0|1,0,0]=3 19 B26R2.4959070 CCOc1cc(\C=C(/C(=O)Nc2ccc(cc2)C)\C#N)c(cc1O)Br Amb10596773 [0,1,1,0,0,0|1,0,0]=3 20 B26R2.12053527 N#C\C(=C\c1cc(OC)c(cc1Br)O)\C(=O)Nc2ccc(cc2)CC Amb1869114 [0,1,1,0,0,0|1,0,0]=3 21 B26R2.1085462 N#C\C(=C/c1cc(OC)c(c(c1Br)Br)O)\C(=O)Nc2cccc(c2)C Amb1869811 [0,1,1,0,0,0|1,0,1]=4 22 B26R3.40406608 CCOc1cc(ccc1O)\C=C(\c2nc3c([nH]2)cc(cc3)C)/C#N Amb10778928 [1,1,0,0,0,0|0,0,2]=4 23 B26R3.40406608 CCOc1cc(ccc1O)\C=C(\c2nc3c([nH]2)cc(cc3)C)/C#N Amb1827706 [1,1,0,0,0,0|0,0,2]=4 24 B26R3.44572142 N#C\C(=C/c1ccc(c(c1)[N+](=O)[O-])O)\c2nc3c([nH]2)ccc(c3)C Amb1041651 [1,1,0,0,0,0|2,0,0]=4 25 B26R3.109151461 Cc1cc2[n]c([nH]c2cc1)\C(=C\c3cc(OC)c(cc3)OC)\C#N Amb22282747 [1,1,0,0,0,0|0,0,0]=2 26 B26R3.109151461 N#C\C(=C/c1ccc(c(c1)OC)OC)\c2nc3c([nH]2)ccc(c3)C Amb1029976 [1,1,0,0,0,0|0,0,0]=2 27 B26R3.67008465 COc1cc(\C=C(\C#N)/c2[nH]c3ccccc3[n]2)c(Br)cc1OC Amb24215371 [1,1,0,0,0,0|0,0,0]=2 28 B26R3.67008465 COc1cc(\C=C(\c2nc3c([nH]2)cccc3)/C#N)c(cc1OC)Br Amb1041276 [1,1,0,0,0,0|0,0,0]=2 29 B26R3.67008465 COc1cc(\C=C(\c2nc3c([nH]2)cccc3)/C#N)c(cc1OC)Br Amb2224198 [1,1,0,0,0,0|0,0,0]=2 30 B26R3.1285631945 CCOc1cc(\C=C(/c2nc3c([nH]2)cccc3)\C#N)c(cc1O)Br Amb1831771 [1,1,0,0,0,0|0,0,0]=2 31 B28R3.1597092547 CCOc1cc(Br)c(cc1OC)\C=C(/c2nc3c([nH]2)ccc(c3)C)\C#N Amb1882652 [0,2,0,0,0,0|0,0,0]=2 32 B28R3.1597092547 Cc1cc2[nH]c([n]c2cc1)\C(=C\c3cc(OC)c(cc3Br)OCC)\C#N Amb20228981 [0,2,0,0,0,0|0,0,2]=4 33 B26R3.5810866 N#C\C(=C/c1cc2OCOc2cc1Br)\C(=O)Nc3ccc(cc3)F Amb1869747 [0,0,1,1,0,0|2,0,0]=4 34 B26R3.5810866 N#C\C(=C/c1cc2OCOc2cc1Cl)\C(=O)Nc3ccc(cc3)C Amb1868131 [0,0,1,1,0,0|1,1,0]=4 35 B26R4.163491530 N#C\C(=C/c1cc2OCOc2cc1Br)\c3nc4c([nH]3)cccc4 Amb1021420 [1,0,0,1,0,0|0,0,0]=2 36 B28R4.382824014 COc1cc2[n]c([nH]c2cc1)\C(=C\c3cc4OCOc4cc3Cl)\C#N Amb20229020 [0,1,0,1,0,0|0,1,0]=3 37 B28R4.382824014 N#C\C(=C\c1cc2OCOc2cc1Cl)\c3nc4c([nH]3)ccc(c4)OC Amb1882915 [0,1,0,1,0,0|0,1,0]=3 38 B26R3.127431941 N#C\C(=C/c1cc(Cl)cc(c1OC)Cl)\c2[nH]c3c(n2)cc(cc3)C Amb1028041 [0,0,0,0,1,1|1,1,0]=4