0 B10R1.61 CC(=O)c1ccccc1C T36788 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.61 CC(=O)c1ccccc1Cl T20449 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.61 CC(=O)c1ccccc1O TCS1856 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.61 Cc1ccccc1C(O)=O T8068 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.61 NC(=O)c1ccccc1O T0004 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 NC(=O)c1nccnc1O T7785 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.61 OC(=O)c1ccccc1I T20881 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.61 OC(=O)c1ccccc1O T0649 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.61 OC(=O)c1ccccc1O T27597 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.61 OC(=O)c1ncccc1O T5986 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.61 OC(=O)c1ncccc1S T12929 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.61 Oc1ccccc1C([O-])=O T0335 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.61 Oc1ccccc1C([O-])=O T20668 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,0|0,0,0]=1 15 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.6 NC(=O)c1ccccn1 T6942 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 NC(=O)c1cccnc1 T0934 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 NC(=O)c1cnccn1 T1426 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,0,0,0,0,0|2,0,0]=3 20 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.6 OC(=O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.6 OC(=O)c1cccnc1 T0879 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.6 OC(=O)c1cnccn1 T0569 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.53 COc1ccccc1C(O)=O T5874 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.53 OCc1ccccc1C(O)=O T36787 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.167 CC(=O)c1cc(O)ccc1O TCS2170 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.167 NC(=O)c1nc(F)cnc1O T6833 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.167 OC(=O)c1nc(Cl)ccc1Cl T19953 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.222 CCC(=O)c1ccccc1O T20371 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.222 COC(=O)c1nccnc1N T22363 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.2 C/C=C/C=C/C=C/C(O)=O T33059 [0,0,1,0,0,0|3,0,0]=4 38 B11R2.1 O=C1CCc2ccccc12 T0564 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.41 CC(=O)c1occc1O T32217 [0,0,0,0,1,0|2,0,0]=3 40 B9R1.41 NC(=O)c1[nH]cnc1N T1722 [0,0,0,0,1,0|2,0,1]=4 41 B9R1.41 NC(=O)c1[nH]cnc1O T19214 [0,0,0,0,1,0|2,0,1]=4 42 B9R1.41 NC(=O)c1nc[nH]c1N T1705 [0,0,0,0,1,0|2,0,1]=4 43 B8R1.2 COc1cnccn1 TN6755 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.5 Cc1ncccc1O T5901 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.15 COC(=O)c1cccnc1 T5562 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.15 COC(c1ncccc1)=O T22220 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.15 NNC(=O)c1ccccn1 T1374 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.15 NNC(=O)c1cccnc1 T0664 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.59 CC(=O)c1cc(C)oc1C T20546 [0,1,0,0,1,0|1,0,0]=3 59 B12R1.75 COc1ccccc1OC(C)=O T32015 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.75 CSc1ccccc1NC(C)=O T2031 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.77 CNc1ccccc1C(OC)=O TN6731 [0,2,0,0,0,0|2,0,0]=4 62 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,1|2,0,0]=4 63 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|2,0,0]=4 64 B8R1.7 CC(=O)[c-]1cccc1 T20583 [1,0,0,0,1,0|1,0,1]=4 65 B8R1.7 CC(=O)c1cccs1 T29331 [1,0,0,0,1,0|1,0,0]=3 66 B8R1.7 CC(=O)c1nccs1 T8042 [1,0,0,0,1,0|1,0,0]=3 67 B8R1.7 OC(=O)c1cc[nH]n1 T7842 [1,0,0,0,1,0|2,0,0]=4 68 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [1,0,0,0,1,0|1,0,1]=4 69 B8R1.7 OC(=O)c1ccco1 T5544 [1,0,0,0,1,0|2,0,0]=4 70 B8R1.7 OC(=O)c1ccoc1 T5277 [1,0,0,0,1,0|2,0,0]=4 71 B8R1.7 OC(=O)c1cnsc1 T4675 [1,0,0,0,1,0|2,0,0]=4 72 B8R1.7 OC(=O)c1nc[nH]n1 T1371 [1,0,0,0,1,0|2,0,0]=4 73 B8R1.11 CSc1nccn1C T8612 [1,0,0,0,1,0|2,0,0]=4