0 B10R1.17 CNCCc1ccccn1 T0246 [1,0,0,0,0,0|1,0,0]=2 1 B10R1.17 CNCCc1ccccn1 T0246L [1,0,0,0,0,0|1,0,0]=2 2 B10R1.17 CNCCc1ccccn1 T4195 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.17 NNCCc1ccccc1 T12441 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.17 OCCCC1=CC=CC=C1 T3754 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 S=C=NCc1ccccc1 T1082 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.69 CCCCc1ccc(O)cc1O T7125 [0,1,0,0,0,0|2,0,0]=3 7 B12R1.125 O=C(O)CCc1ccccc1O T4892 [0,1,0,0,0,0|3,0,0]=4 8 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,0|3,0,0]=4 9 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.8 NCCC1=NC=CC=C1 T22501 [2,0,0,0,0,0|1,0,0]=3 11 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|0,0,0]=2 12 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|0,0,0]=2 13 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [2,0,0,0,0,0|1,0,1]=4 14 B9R1.8 OCCC1=CC=CC=C1 T0011 [2,0,0,0,0,0|1,0,0]=3 15 B9R1.8 OCCc1ccccn1 T0658 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.15 COc1ccccc1O T1301 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.15 COc1ccccc1O T3267 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.15 OCc1ccccc1O T0311 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.1 COCCc1ccc(O)cc1 T0635 [1,1,0,0,0,0|1,0,0]=3 20 B11R1.1 OCCCc1ccc(O)cc1 T3738 [1,1,0,0,0,0|2,0,0]=4 21 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,1,0,0,0,0|2,0,0]=4 23 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.91 O=C(O)CCc1ccccc1 T3731 [1,1,0,0,0,0|2,0,0]=4 25 B13R1.369 CCCCCc1ccc(C)cc1O T4557 [0,2,0,0,0,0|2,0,0]=4 26 B13R1.91 CNC(C)Cc1ccccc1OC T5035 [0,2,0,0,0,0|1,0,0]=3 27 B11R2.1 O=C1CCc2ccccc21 T0564 [1,0,0,1,0,0|2,0,0]=4 28 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [1,0,0,1,0,0|2,0,0]=4 29 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.12 CNCCC1=CN=CN1 T23038 [1,0,0,0,1,0|2,0,0]=4