0 B11R1.28 OCCCCc1ccccc1 T20370 [0,0,0,0,0,0|1,1,1]=3 1 B11R1.28 OCCOCc1ccccc1 T14013 [0,0,0,0,0,0|2,1,1]=4 2 B11R1.28 S=C=NCCc1ccccc1 T19687 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.17 CCOCc1ccccc1 T36790 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.17 CNCCc1ccccn1 T0246 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.17 CNCCc1ccccn1 T0246L [1,0,0,0,0,0|1,0,2]=4 6 B10R1.17 CNCCc1ccccn1 T4195 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.17 NNCCc1ccccc1 T12441 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.17 NNCCc1ccccc1 T50010 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.17 O=CCCc1ccccc1 T20312 [1,0,0,0,0,0|0,1,1]=3 10 B10R1.17 OCCCc1ccccc1 T3754 [1,0,0,0,0,0|0,1,1]=3 11 B10R1.17 OCCOc1ccccc1 T20293 [1,0,0,0,0,0|1,1,1]=4 12 B10R1.17 S=C=NCc1ccccc1 T1082 [1,0,0,0,0,0|0,0,0]=1 13 B12R1.8 CCCCCOc1ccccc1 T25936 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.8 S=C=NCCCC1=CC=CC=C1 T40253 [0,1,0,0,0,0|0,0,0]=1 15 B12R1.27 COC(=O)CCc1ccccc1 T9513 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.30 CCCCC(O)c1ccccc1 T0857 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [0,1,0,0,0,0|1,1,1]=4 19 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [0,1,0,0,0,0|1,1,1]=4 20 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [0,1,0,0,0,0|1,1,1]=4 21 B12R1.267 CCCCCc1ccccc1O T33809 [0,1,0,0,0,0|2,0,1]=4 22 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [0,0,0,1,0,0|1,1,1]=4 23 B9R1.8 CCOc1ccccc1 T19753 [2,0,0,0,0,0|1,0,1]=4 24 B9R1.8 CNCc1ccccc1 T8016 [2,0,0,0,0,0|0,0,2]=4 25 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|0,0,1]=3 26 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|0,0,1]=3 27 B9R1.8 NCCc1ccccn1 T22501 [2,0,0,0,0,0|1,0,1]=4 28 B9R1.8 O/N=C/c1ccccc1 T20350 [2,0,0,0,0,0|0,1,1]=4 29 B9R1.8 O=CCc1ccccc1 TCS1857 [2,0,0,0,0,0|0,1,1]=4 30 B9R1.8 OCCc1ccccc1 T0011 [2,0,0,0,0,0|0,1,0]=3 31 B9R1.8 OCCc1ccccn1 T0658 [2,0,0,0,0,0|1,1,0]=4 32 B11R1.1 COCCc1ccc(O)cc1 T0635 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.1 OCCCc1ccc(O)cc1 T3738 [1,1,0,0,0,0|0,1,1]=4 34 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [1,1,0,0,0,0|0,1,1]=4 35 B11R1.16 CC(N=C=S)c1ccccc1 T27188 [1,1,0,0,0,0|0,0,0]=2 36 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=S T27793 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=S T19758 [1,1,0,0,0,0|0,0,0]=2 38 B11R1.24 CNCCc1cccc(O)c1 T34003 [1,1,0,0,0,0|0,0,2]=4 39 B11R1.40 CC(Cc1ccccc1)NN T24631 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,1,0,0,0,0|0,1,1]=4 41 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,1,0,0,0,0|0,1,1]=4 42 B11R2.1 O=C1CCc2ccccc12 T0564 [1,0,0,1,0,0|0,1,1]=4 43 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [1,0,0,1,0,0|1,0,1]=4 44 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [1,0,0,1,0,0|1,0,1]=4