0 B9R1.11 COC(=O)c1ccco1 T8022 [0,0,0,0,0,0|0,1,0]=1 1 B8R1.7 CC(=O)[c-]1cccc1 T20583 [1,0,0,0,0,0|1,0,1]=3 2 B8R1.7 CC(=O)c1cccs1 T29331 [1,0,0,0,0,0|0,1,0]=2 3 B8R1.7 CC(=O)c1nccs1 T8042 [1,0,0,0,0,0|1,1,0]=3 4 B8R1.7 OC(=O)c1cc[nH]n1 T7842 [1,0,0,0,0,0|2,1,0]=4 5 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [1,0,0,0,0,0|1,1,0]=3 6 B8R1.7 OC(=O)c1ccco1 T5544 [1,0,0,0,0,0|0,1,0]=2 7 B8R1.7 OC(=O)c1ccoc1 T5277 [1,0,0,0,0,0|2,1,0]=4 8 B10R1.11 CCCC(=O)c1cccs1 T20377 [0,1,0,0,0,0|1,1,0]=3 9 B10R1.15 C=CC(=O)c1ccccc1 T20607 [0,0,0,0,0,1|2,0,1]=4 10 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [0,0,0,0,0,1|2,0,0]=3 11 B10R1.15 CNC(=O)c1ccccc1 T12150 [0,0,0,0,0,1|2,0,0]=3 12 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,0,0,0,0,1|2,0,0]=3 13 B10R1.15 COC(=O)c1cccnc1 T5562 [0,0,0,0,0,1|1,1,0]=3 14 B10R1.15 COC(c1ncccc1)=O T22220 [0,0,0,0,0,1|1,1,0]=3 15 B10R1.15 NNC(=O)c1ccccn1 T1374 [0,0,0,0,0,1|3,0,0]=4 16 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,0,0,0,0,1|3,0,0]=4 17 B10R1.15 NNC(=O)c1ccncc1 T0972 [0,0,0,0,0,1|3,0,0]=4 18 B10R1.15 O=CC(=O)c1ccccc1 T38465 [0,0,0,0,0,1|3,0,0]=4 19 B7R0.4 C/C=C/C=C/C(O)=O T8019 [1,0,1,0,0,0|1,1,0]=4 20 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [1,0,1,0,0,0|1,1,0]=4 21 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [1,1,0,0,0,0|0,1,0]=3 22 B9R1.41 CC(=O)c1occc1O T32217 [1,1,0,0,0,0|0,0,0]=2 23 B11R1.16 CCCC(=O)c1ccccc1 T20324 [0,1,0,0,0,1|2,0,0]=4 24 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [0,1,0,0,0,1|1,1,0]=4 25 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [0,1,0,0,0,1|2,0,0]=4 26 B11R1.16 OCNC(=O)c1cccnc1 T7869 [0,1,0,0,0,1|2,0,0]=4 27 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,1|1,1,0]=4 28 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [0,1,0,0,0,1|1,1,0]=4 29 B11R1.23 COC(=O)c1cccc(O)c1 T33331 [0,1,0,0,0,1|1,1,0]=4 30 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,0,1|1,1,0]=4 31 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.222 CCC(=O)c1ccccc1O T20371 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,1,0,0,0,1|1,1,0]=4 35 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,0,1|1,1,0]=4 36 B11R1.222 COC(=O)c1nccnc1N T22363 [0,1,0,0,0,1|1,1,0]=4 37 B9R1.3 Cc1cccc(O)c1O T3742 [0,0,1,1,0,0|1,0,1]=4 38 B9R1.5 Oc1cccccc1=O T8087 [0,0,1,1,0,0|1,0,1]=4 39 B9R1.15 COc1ccccc1O T1301 [0,0,1,1,0,0|1,1,0]=4 40 B9R1.2 CCc1cccc(O)c1 T21170 [0,0,1,1,0,0|2,0,0]=4 41 B9R1.2 COc1cccc(O)c1 T20294 [0,0,1,1,0,0|1,1,0]=4 42 B11R2.1 O=C1CCc2ccccc12 T0564 [0,0,0,1,0,1|2,0,0]=4 43 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,1|1,0,0]=3 44 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,1|1,0,0]=3 45 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,0,1|2,0,0]=4 46 B9R1.6 NC(=O)c1ccccn1 T6942 [1,0,0,0,0,1|2,0,0]=4 47 B9R1.6 NC(=O)c1cccnc1 T0934 [1,0,0,0,0,1|2,0,0]=4 48 B9R1.6 NC(=O)c1ccncc1 T0552 [1,0,0,0,0,1|2,0,0]=4 49 B9R1.6 NC(=O)c1cnccn1 T1426 [1,0,0,0,0,1|2,0,0]=4 50 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,0,0,0,0,1|1,1,0]=4 51 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,0,1|1,1,0]=4 52 B9R1.6 OC(=O)c1ccccn1 T4850 [1,0,0,0,0,1|1,1,0]=4 53 B9R1.6 OC(=O)c1cccnc1 T0879 [1,0,0,0,0,1|1,1,0]=4 54 B9R1.6 OC(=O)c1ccncc1 Fr13756 [1,0,0,0,0,1|1,1,0]=4 55 B9R1.6 OC(=O)c1cnccn1 T0569 [1,0,0,0,0,1|1,1,0]=4 56 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,0,0,0,1|1,1,0]=4 57 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [1,0,0,0,0,1|1,1,0]=4