0 B12R1.75 COc1ccccc1OC(C)=O T32015 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.75 CSc1ccccc1NC(C)=O T2031 [0,0,0,0,0,0|1,1,0]=2 2 B11R1.86 OC(=O)Cc1ccccc1O T5308 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.91 CNC(C)Cc1ccccc1OC T5035 [0,1,0,0,0,0|2,0,1]=4 4 B13R1.380 CCOc1ccccc1NC(C)=O T20296 [0,1,0,0,0,0|1,0,0]=2 5 B13R1.589 CC(=O)Oc1ccccc1C(O)=O T0005 [0,1,0,0,0,0|2,0,0]=3 6 B13R1.589 CC(=O)Oc1ccccc1C(O)=O T20458 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.589 CC(=O)Oc1ccccc1C([O-])=O T32795 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.589 CC(=O)Oc1ccccc1C([O-])=O T3608 [0,1,0,0,0,0|2,0,0]=3 9 B13R2.72 CC(=O)c1c[nH]c2ccccc12 T20585 [0,0,0,1,0,0|2,0,1]=4 10 B13R2.328 O=c1[nH]c(=O)c2ccccc2o1 T0258 [0,0,0,1,0,0|3,0,0]=4 11 B13R2.328 Oc1cc(=O)oc2ccccc12 PDK0015 [0,0,0,1,0,0|2,0,1]=4 12 B11R1.53 COc1ccccc1C(O)=O T5874 [0,0,0,0,1,0|1,0,0]=2 13 B11R1.53 OC(=O)c1ccccc1C=O TN6514 [0,0,0,0,1,0|3,0,0]=4 14 B11R1.53 OCc1ccccc1C(O)=O T36787 [0,0,0,0,1,0|3,0,0]=4 15 B13R1.90 COc1ccccc1/C=C/C(O)=O T2S0973 [0,0,0,0,0,1|2,0,0]=3 16 B13R1.90 COc1ccccc1/C=C/C(O)=O TN6874 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.4 CCOc1ccccc1Br T20308 [2,0,0,0,0,0|1,0,1]=4 18 B10R1.4 CSCc1ccccc1O T33357 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.4 Oc1ccccc1CC=C T20472 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.20 COc1ccccc1CN T1372 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.20 COc1ccccc1OC T20326 [2,0,0,0,0,0|0,0,0]=2 22 B10R1.18 CC(=O)Oc1ccccc1 T0650 [2,0,0,0,0,0|0,0,0]=2 23 B10R1.18 CC(=S)Nc1ccccc1 T20263 [2,0,0,0,0,0|1,1,0]=4 24 B12R1.112 CCOc1ccc(N)cc1OC T34117 [1,1,0,0,0,0|0,0,1]=3 25 B12R1.121 COc1ccccc1C=CC=O T7452 [1,1,0,0,0,0|1,0,0]=3 26 B12R1.121 COc1ccccc1OCCN T1698 [1,1,0,0,0,0|0,0,1]=3 27 B12R1.127 OC(=O)Cc1cc(O)ccc1O TCS2070 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.151 Cc1ccccc1OP([O-])([O-])=O T20287 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.233 OC(=O)Cc1ccc(O)cc1O TMA1130 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.57 COc1cc(C)ccc1C(C)C TN6884 [0,1,0,0,1,0|1,0,1]=4 31 B12R1.261 CC(=O)c1ccccc1C(O)=O TMA0536 [0,1,0,0,1,0|2,0,0]=4 32 B12R1.437 COc1cccc(O)c1C(O)=O T5917 [0,1,0,0,1,0|1,0,0]=3 33 B14R1.863 COc1ccccc1OCC(O)CO T0739 [0,1,0,0,0,1|0,0,2]=4 34 B14R1.101 COc1cc(C=O)ccc1OC(C)=O T2977 [0,2,0,0,0,0|0,0,0]=2 35 B14R1.3302 CNC(=O)Oc1ccccc1C(C)C T20621 [0,2,0,0,0,0|1,0,0]=3 36 B14R1.744 COC(=O)c1ccccc1OC(C)=O TN6710 [0,2,0,0,0,0|0,0,0]=2 37 B14R1.4894 CC(=O)Oc1c(C)cccc1C(O)=O T0238 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.19 CC(=O)Oc1ccc(C)c(C)c1 T29381 [0,0,1,1,0,0|1,0,1]=4 39 B12R1.453 COc1ccc(O)c(c1)C(C)=O T3760 [0,0,1,1,0,0|2,0,0]=4 40 B12R2.1 O=Cc1coc2ccccc12 T7973 [1,0,0,1,0,0|1,0,1]=4 41 B12R2.18 CC1C(=O)Nc2ccccc12 T0538 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.24 O=C1CCc2ccccc2C1 T0660 [1,0,0,1,0,0|2,0,0]=4 43 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [1,0,0,1,0,0|1,0,0]=3 44 B12R2.24 O=c1ccc2ccccc2o1 T0775 [1,0,0,1,0,0|1,0,1]=4 45 B14R2.11625 COc1ccccc1OCC2CO2 T7932 [0,0,0,1,0,1|0,0,2]=4 46 B14R2.8235 Cc1cc(=O)oc2ccc(O)cc12 TJS0318 [0,1,0,1,0,0|1,0,1]=4 47 B14R2.738 CC1CC(=O)Nc2ccccc2N1 T27068 [0,1,0,1,0,0|2,0,0]=4 48 B14R2.738 CC1CC(=O)Nc2ccccc2S1 T50014 [0,1,0,1,0,0|1,1,0]=4 49 B14R2.1146 COc1cc(=O)oc2ccccc12 Fr12290 [0,1,0,1,0,0|0,0,1]=3 50 B14R2.29365 Cc1cc(=O)oc2c1ccc(O)c2 T1391 [0,1,0,1,0,0|1,0,1]=4 51 B14R2.29365 Cc1cc(=O)oc2cc([O-])ccc12 T30703 [0,1,0,1,0,0|1,0,1]=4 52 B10R1.61 CC(=O)c1ccccc1C T36788 [1,0,0,0,1,0|0,0,0]=2 53 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,0,0,0,1,0|1,0,0]=3 54 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,0,0,0,1,0|0,0,0]=2 55 B10R1.61 Cc1ccccc1C(O)=O T8068 [1,0,0,0,1,0|1,0,0]=3 56 B10R1.61 NC(=O)c1ccccc1O T0004 [1,0,0,0,1,0|1,0,0]=3 57 B10R1.61 OC(=O)c1ccccc1I T20881 [1,0,0,0,1,0|2,0,0]=4 58 B10R1.61 OC(=O)c1ccccc1O T0649 [1,0,0,0,1,0|1,0,0]=3 59 B10R1.61 OC(=O)c1ccccc1O T27597 [1,0,0,0,1,0|1,0,0]=3 60 B10R1.61 OC(=O)c1ncccc1O T5986 [1,0,0,0,1,0|2,0,0]=4 61 B10R1.61 Oc1ccccc1C(S)=S T31535 [1,0,0,0,1,0|1,1,0]=4 62 B10R1.61 Oc1ccccc1C([O-])=O T0335 [1,0,0,0,1,0|1,0,0]=3 63 B10R1.61 Oc1ccccc1C([O-])=O T20668 [1,0,0,0,1,0|1,0,0]=3