0 B10R1.4 C=CCc1ccccc1O CHEBI:39826 [1,0,0,0,0,0|1,0,1]=3 1 B10R1.4 Cc1ccccc1CC#N CHEBI:27982 [1,0,0,0,0,0|0,0,2]=3 2 B10R1.4 Cc1ccccc1N=C=O CHEBI:60099 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.4 c1ccc(c(c1)CCO)O CHEBI:64803 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.20 COc1ccccc1OC CHEBI:59114 [1,0,0,0,0,0|1,0,0]=2 5 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN CHEBI:65009 [0,0,0,1,0,0|1,0,2]=4 6 B12R2.1081 CN1CCCc2c1cccc2 CHEBI:190941 [0,0,0,1,0,0|2,0,0]=3 7 B12R2.1081 c1ccc2c(c1)CCOC2=O CHEBI:23745 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.8 CCCc1ccccc1 CHEBI:42630 [2,0,0,0,0,0|1,0,0]=3 9 B9R1.8 CCOc1ccccc1 CHEBI:67129 [2,0,0,0,0,0|2,0,0]=4 10 B9R1.8 c1ccc(cc1)CC#N CHEBI:25979 [2,0,0,0,0,0|0,0,2]=4 11 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [2,0,0,0,0,0|1,0,1]=4 12 B9R1.8 c1ccc(cc1)CCN CHEBI:18397 [2,0,0,0,0,0|0,0,0]=2 13 B9R1.8 c1ccc(cc1)CCO CHEBI:49000 [2,0,0,0,0,0|1,0,0]=3 14 B9R1.8 c1ccc(cc1)CC[NH3+] CHEBI:225237 [2,0,0,0,0,0|0,0,1]=3 15 B9R1.8 c1ccnc(c1)CCN CHEBI:74024 [2,0,0,0,0,0|1,0,0]=3 16 B9R1.15 CCc1ccccc1C CHEBI:34276 [2,0,0,0,0,0|0,0,0]=2 17 B9R1.15 COc1ccccc1I CHEBI:16355 [2,0,0,0,0,0|1,0,0]=3 18 B9R1.15 COc1ccccc1O CHEBI:28591 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.15 Cc1ccccc1C=O CHEBI:27434 [2,0,0,0,0,0|1,0,1]=4 20 B9R1.15 c1ccc(c(c1)C=N)O CHEBI:55426 [2,0,0,0,0,0|0,0,2]=4 21 B9R1.15 c1ccc(c(c1)C=O)O CHEBI:16008 [2,0,0,0,0,0|1,0,1]=4 22 B9R1.15 c1ccc(c(c1)CO)O CHEBI:16464 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.17 CCSCc1ccccc1O CHEBI:38487 [1,1,0,0,0,0|1,0,0]=3 24 B11R1.86 CC(C)Oc1ccccc1O CHEBI:38547 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.86 c1ccc(c(c1)CC(=O)O)O CHEBI:28478 [1,1,0,0,0,0|1,0,1]=4 26 B11R1.86 c1ccc(c(c1)CC(=O)[O-])O CHEBI:62423 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.222 CCC(C)c1ccccc1O CHEBI:34303 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.53 COc1ccccc1C(=O)O CHEBI:421840 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.53 COc1ccccc1C(=O)[O-] CHEBI:59128 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.53 COc1ccccc1[N+](=O)[O-] CHEBI:48722 [1,1,0,0,0,0|2,0,0]=4 31 B11R2.10 c1ccc2c(c1)CC(=O)C2 CHEBI:27930 [1,0,0,1,0,0|1,0,1]=4 32 B11R2.20 c1ccc2c(c1)CC=CC2 CHEBI:38143 [1,0,0,1,0,0|1,0,1]=4 33 B11R2.20 c1ccc2c(c1)CC=CO2 CHEBI:35603 [1,0,0,1,0,0|1,0,1]=4 34 B11R2.20 c1ccc2c(c1)CCC=C2 CHEBI:38142 [1,0,0,1,0,0|1,0,1]=4 35 B11R2.20 c1ccc2c(c1)CCCC2 CHEBI:35008 [1,0,0,1,0,0|1,0,0]=3 36 B11R2.20 c1ccc2c(c1)CCCN2 CHEBI:213323 [1,0,0,1,0,0|2,0,0]=4 37 B11R2.20 c1ccc2c(c1)CCCO2 CHEBI:33224 [1,0,0,1,0,0|1,0,0]=3 38 B11R2.20 c1ccc2c(c1)CCOC2 CHEBI:33225 [1,0,0,1,0,0|1,0,0]=3 39 B11R2.106 c1cc2c(cc[nH]2)c(c1)O CHEBI:24702 [1,0,0,1,0,0|0,0,2]=4 40 B11R2.1 c1ccc2c(c1)CCC2=O CHEBI:17404 [1,0,0,1,0,0|2,0,0]=4 41 B11R2.1 c1ccc2c(c1)CCC2O CHEBI:16697 [1,0,0,1,0,0|2,0,0]=4 42 B11R2.1 c1ccc2c(c1)CNC2=O CHEBI:74235 [1,0,0,1,0,0|2,0,0]=4 43 B13R2.1 c1ccc2c(c1)c(c[nH]2)CCN CHEBI:16765 [0,1,0,1,0,0|1,0,1]=4 44 B13R2.369 c1ccc2c(c1)CC(C(C2)O)O CHEBI:37879 [0,1,0,1,0,0|2,0,0]=4 45 B13R2.369 c1ccc2c(c1)C[C@@H]([C@H](C2)O)O CHEBI:37882 [0,1,0,1,0,0|2,0,0]=4 46 B13R2.369 c1ccc2c(c1)C[C@H]([C@@H](C2)O)O CHEBI:37883 [0,1,0,1,0,0|2,0,0]=4 47 B13R2.369 c1ccc2c(c1)C[C@H]([C@H](C2)O)O CHEBI:37881 [0,1,0,1,0,0|2,0,0]=4 48 B13R2.342 Cc1cccc2c1CCCC2C CHEBI:48650 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.342 Cc1cccc2c1CCNC2=O CHEBI:41928 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.33 Cc1c(nc[nH]1)CCN CHEBI:74760 [1,0,0,0,1,0|2,0,0]=4