0 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,1,0,0,0,0|2,0,0]=3 1 B10R1.17 O=C\C=C\C1=CC=CC=C1 BBP01535 [0,0,1,0,0,0|1,0,1]=3 2 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [0,0,1,0,0,0|1,0,1]=3 3 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [0,0,1,0,0,0|1,0,1]=3 4 B10R1.17 S=C=NCc1ccccc1 T1082 [0,0,1,0,0,0|1,1,1]=4 5 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,0,1,0,0,0|2,0,0]=3 6 B10R1.61 O=C(O)c1ccccc1O T0649 [0,0,1,0,0,0|1,0,0]=2 7 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 BBP03981 [0,0,0,0,0,1|1,0,1]=3 8 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,0,0,1|1,0,0]=2 9 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,0,0,1|1,0,1]=3 10 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,1,0,0,0|0,0,2]=4 11 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [1,0,1,0,0,0|1,0,0]=3 12 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [1,0,1,0,0,0|2,0,0]=4 13 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,1,0,0,0|2,0,0]=4 14 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [1,0,1,0,0,0|0,0,0]=2 15 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [1,0,1,0,0,0|1,0,0]=3 16 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,1,0,0,0|0,0,0]=2 17 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,1,0,0,0|1,0,0]=3 18 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,1,0,0,0|1,0,0]=3 19 B9R1.8 NCCc1ccccc1 T2935 [1,0,1,0,0,0|1,0,1]=4 20 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,0,1,0,0,0|0,0,0]=2 21 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,0,1,0,0,0|0,0,2]=4 22 B9R1.15 COc1ccccc1O T1301 [1,0,1,0,0,0|2,0,0]=4 23 B9R1.15 OCC1=CC=CC=C1O BBP00748 [1,0,1,0,0,0|0,0,1]=3 24 B9R1.15 OCc1ccccc1O T0311 [1,0,1,0,0,0|0,0,1]=3 25 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BBP02463 [0,1,1,0,0,0|1,0,0]=3 26 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,1,0,0,0|1,0,0]=3 27 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BBP00471 [0,1,1,0,0,0|0,0,0]=2 28 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,1,0,0,0|0,0,0]=2 29 B11R1.222 COC(=O)C1=C(O)C=CC=C1 BBP04331 [0,1,1,0,0,0|0,0,0]=2 30 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,1,0,0,0|0,0,0]=2 31 B11R1.1 CCOCC1=CC=C(O)C=C1 BBP02551 [0,1,1,0,0,0|1,0,1]=4 32 B11R1.17 O=C\C=C\C1=CC=CC=C1O BBP00288 [0,1,1,0,0,0|1,0,1]=4 33 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,1,1,0,0,0|1,0,0]=3 34 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [0,1,1,0,0,0|1,0,1]=4 35 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 BBP01257 [0,1,1,0,0,0|1,0,1]=4 36 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBP02940 [0,1,1,0,0,0|1,0,0]=3 37 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBP00136 [0,1,1,0,0,0|1,0,1]=4 38 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,1,1,0,0,0|1,0,1]=4 39 B11R1.159 Nc1c(O)cccc1C(=O)O T4707 [0,1,1,0,0,0|1,0,0]=3 40 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [0,1,1,0,0,0|1,0,0]=3 41 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 BBP05006 [0,1,1,0,0,0|2,0,0]=4 42 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 BBP00273 [0,1,1,0,0,0|2,0,0]=4 43 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,1,1,0,0,0|2,0,0]=4 44 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBP04650 [0,1,1,0,0,0|2,0,0]=4 45 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,1,1,0,0,0|2,0,0]=4 46 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,1,1,0,0,0|1,0,0]=3 47 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 BBP00751 [0,1,0,0,0,1|1,0,1]=4 48 B13R2.155 O=c1ccc2ccc(O)cc2o1 T1693 [0,1,0,0,0,1|1,0,1]=4 49 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 BBP03979 [0,1,0,0,0,1|1,0,1]=4 50 B13R2.3683 O=c1ccc2cc(O)ccc2o1 T2S0357 [0,1,0,0,0,1|1,0,1]=4 51 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 BBP00058 [0,2,0,0,0,0|2,0,0]=4 52 B13R2.11642 O=C1OCC2=C1C(O)=CC(O)=C2 BBP05121 [0,2,0,0,0,0|0,0,0]=2