0 B9R1.8 NCCc1ccccc1 T2935 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.8 OCCC1=CC=CC=C1 T0011 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.2 NCC1=CC=CC=C1 BBP04286 [1,0,0,0,0,0|0,0,0]=1 4 B8R1.2 NCc1ccccc1 T4846 [1,0,0,0,0,0|0,0,0]=1 5 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [1,0,0,0,0,0|1,0,1]=3 6 B8R1.2 OCC1=CC=CC=C1 T0732 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.1 N#CCC1=CC=C(O)C=C1 BBP04442 [0,1,0,0,0,0|0,0,2]=3 8 B10R1.1 NCCc1ccc(O)cc1 T3095 [0,1,0,0,0,0|0,0,0]=1 9 B10R1.1 OCCC1=CC=C(O)C=C1 BBP01578 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.15 NCC(O)c1ccccc1 T4873 [0,1,0,0,0,0|0,0,0]=1 12 B10R1.17 O=C\C=C\C1=CC=CC=C1 BBP01535 [0,1,0,0,0,0|1,0,2]=4 13 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [0,1,0,0,0,0|1,0,2]=4 14 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [0,1,0,0,0,0|1,0,2]=4 15 B10R1.17 OC\C=C\C1=CC=CC=C1 BBP01097 [0,1,0,0,0,0|1,0,1]=3 16 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [0,1,0,0,0,0|1,0,1]=3 17 B10R1.17 S=C=NCc1ccccc1 T1082 [0,1,0,0,0,0|1,0,1]=3 18 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.18 O=C(O)Cc1ccccc1 T4935 [0,1,0,0,0,0|1,0,1]=3 20 B7R1.3 Nc1ccccc1 T4777 [2,0,0,0,0,0|0,0,0]=2 21 B7R1.3 OC1=CC=CC=C1 TCS0927 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.1 O=CC1=CC=C(O)C=C1 BBP00159 [1,1,0,0,0,0|1,0,1]=4 23 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [1,1,0,0,0,0|1,0,1]=4 24 B9R1.1 OCC1=CC=C(O)C=C1 BBP00170 [1,1,0,0,0,0|1,0,0]=3 25 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [1,1,0,0,0,0|1,0,0]=3 26 B9R1.2 COC1=CC=CC(O)=C1 BBP00254 [1,1,0,0,0,0|1,0,0]=3 27 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|1,0,0]=3 28 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,1,0,0,0,0|0,0,0]=2 29 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [1,1,0,0,0,0|0,0,1]=3 30 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [1,1,0,0,0,0|1,0,1]=4 31 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,1,0,0,0,0|1,0,1]=4 32 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [1,1,0,0,0,0|1,0,1]=4 33 B9R1.6 O=C(O)c1ccccc1 T0833 [1,1,0,0,0,0|1,0,1]=4 34 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|1,0,0]=3 35 B9R1.15 OCC1=CC=CC=C1O BBP00748 [1,1,0,0,0,0|1,0,0]=3 36 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.33 Cn1cncc1CCN T4940 [0,1,0,0,1,0|2,0,0]=4 38 B11R1.1 CCOCC1=CC=C(O)C=C1 BBP02551 [0,2,0,0,0,0|1,0,0]=3 39 B11R1.1 OCCCC1=CC=C(O)C=C1 BBP00193 [0,2,0,0,0,0|1,0,0]=3 40 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 BBP02719 [0,2,0,0,0,0|1,0,1]=4 41 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBP02607 [0,2,0,0,0,0|1,0,1]=4 42 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,2,0,0,0,0|1,0,1]=4 43 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BBP02463 [0,2,0,0,0,0|1,0,1]=4 44 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,2,0,0,0,0|1,0,1]=4 45 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,2,0,0,0,0|0,0,0]=2 46 B11R1.81 N#CCC1=C(O)C=C(O)C=C1 BBP01498 [0,2,0,0,0,0|0,0,2]=4 47 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 BBP01609 [0,2,0,0,0,0|1,0,1]=4 48 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [0,2,0,0,0,0|0,0,0]=2 49 B11R1.192 OCCC1=CC(O)=C(O)C=C1 BBP00971 [0,2,0,0,0,0|1,0,0]=3 50 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,2,0,0,0,0|1,0,0]=3 51 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [0,2,0,0,0,0|1,0,1]=4 52 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 BBP03215 [0,2,0,0,0,0|1,0,0]=3 53 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,2,0,0,0,0|1,0,1]=4 55 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,2,0,0,0,0|1,0,0]=3 56 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 BBP01257 [0,2,0,0,0,0|0,0,2]=4 57 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBP02940 [0,2,0,0,0,0|1,0,0]=3 58 B11R2.36 OC1=CC2=C(C=C1)OCO2 BBP03902 [0,1,0,1,0,0|2,0,0]=4 59 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [0,1,0,1,0,0|2,0,0]=4 60 B7R1.1 COC1=COC=C1 BBP00343 [1,0,0,0,1,0|2,0,0]=4