0 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.1 COc1ccoc1 TN2959 [1,0,0,0,0,0|2,1,0]=4 3 B7R1.2 C=C1OC(=O)C=C1 TN2420 [1,0,0,0,0,0|0,1,1]=3 4 B7R1.2 CC1=CCC(=O)O1 T7995 [1,0,0,0,0,0|0,1,1]=3 5 B7R1.2 Cn1ccc(N)n1 T3295 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.2 O=C1NC(=O)C=C1 T4820 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.21 OCc1ccc(C=O)o1 T2943 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.22 Cc1cc(C)c(C=O)[nH]1 T21347 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,1,0,0,0,0|1,1,0]=3 10 B7R0.3 CO/C=C/C(=O)OC TN6402 [0,0,1,0,0,0|1,1,1]=4 11 B7R0.4 C/C=C/C=C/C(O)=O T8019 [0,0,1,0,0,0|2,0,0]=3 12 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [0,0,1,0,0,0|2,0,1]=4 13 B9R1.1 CCc1ccc(O)cc1 T5883 [0,0,0,0,0,1|3,0,0]=4 14 B9R1.1 COc1ccc(F)cc1 T0528 [0,0,0,0,0,1|2,1,0]=4 15 B9R1.1 COc1ccc(O)cc1 T0501 [0,0,0,0,0,1|2,1,0]=4 16 B9R1.2 CCc1cccc(N)c1 T21169 [0,0,0,0,0,1|3,0,0]=4 17 B9R1.2 CCc1cccc(O)c1 T21170 [0,0,0,0,0,1|3,0,0]=4 18 B9R1.2 CNc1cccc(C)c1 T0557 [0,0,0,0,0,1|2,0,0]=3 19 B9R1.2 COc1cccc(Br)c1 T21218 [0,0,0,0,0,1|2,1,0]=4 20 B9R1.2 COc1cccc(C)c1 T21278 [0,0,0,0,0,1|1,1,0]=3 21 B9R1.2 COc1cccc(O)c1 T20294 [0,0,0,0,0,1|2,1,0]=4 22 B9R1.2 Cc1cccc(c1)[I]=O T32169 [0,0,0,0,0,1|3,0,0]=4 23 B6R1.2 C[c-]1cccc1 T20558 [2,0,0,0,0,0|1,0,1]=4 24 B8R1.7 CC(=O)c1cccs1 T29331 [1,1,0,0,0,0|1,1,0]=4 25 B8R1.7 OC(=O)c1ccco1 T5544 [1,1,0,0,0,0|2,0,0]=4 26 B8R1.11 CSc1nccn1C T8612 [1,1,0,0,0,0|2,0,0]=4 27 B8R1.18 CC1=CC(=O)OC1=O TN6957 [1,1,0,0,0,0|1,1,0]=4 28 B8R1.18 CC1OC(C)=CC1=O T22309 [1,1,0,0,0,0|0,0,1]=3 29 B10R1.3 COc1ccc(CO)cc1 T20309 [0,1,0,0,0,1|1,1,0]=4 30 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,1,0,0,0,1|2,0,0]=4 31 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [0,1,0,0,0,1|2,0,0]=4 32 B10R1.25 CCc1ccc(C)cc1O T29345 [0,1,0,0,0,1|2,0,0]=4 33 B10R1.25 CSc1ccc(C)cc1O T33232 [0,1,0,0,0,1|1,0,0]=3 34 B10R1.8 CCc1cc(C)cc(O)c1 T29396 [0,1,0,0,0,1|2,0,0]=4 35 B10R1.30 CCc1nc(C)ccc1O T7875 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.30 CCc1nc(C)ccc1O T8624 [0,1,0,0,0,1|2,0,0]=4 37 B10R1.30 COc1cc(C)ccc1O T20446 [0,1,0,0,0,1|1,1,0]=4 38 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [0,1,0,0,0,1|2,0,0]=4 40 B10R1.113 CN(C)c1cccc(C)c1 T21088 [0,1,0,0,0,1|2,0,0]=4 41 B10R1.31 OCc1ccc(o1)C(O)=O T5278 [0,2,0,0,0,0|2,0,0]=4 42 B8R1.5 Cc1ncccc1O T5901 [0,0,1,1,0,0|2,0,0]=4