0 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,0,0,0,0,0|0,1,2]=3 2 B7R1.2 C=C1OC(=O)C=C1 TN2420 [1,0,0,0,0,0|0,0,2]=3 3 B7R1.2 CC1=CCC(=O)O1 T7995 [1,0,0,0,0,0|0,0,2]=3 4 B7R1.2 Cn1ccc(N)n1 T3295 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.2 O=C1NC(=O)C=C1 T4820 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.21 OCc1ccc(C=O)o1 T2943 [0,1,0,0,0,0|0,0,1]=2 7 B9R1.22 Cc1cc(C)c(C=O)[nH]1 T21347 [0,1,0,0,0,0|1,0,2]=4 8 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,1,0,0,0,0|0,1,2]=4 9 B7R0.4 C/C=C/C=C/C(O)=O T8019 [0,0,1,0,0,0|2,0,1]=4 10 B9R1.1 CCc1ccc(O)cc1 T5883 [0,0,0,0,0,1|3,0,0]=4 11 B9R1.1 NCc1ccc(O)cc1 T21095 [0,0,0,0,0,1|3,0,0]=4 12 B9R1.1 OCc1ccc(O)cc1 T3752 [0,0,0,0,0,1|2,0,0]=3 13 B9R1.1 OCc1ccc(cn1)O T40502 [0,0,0,0,0,1|2,0,0]=3 14 B9R1.2 CCc1cccc(N)c1 T21169 [0,0,0,0,0,1|3,0,0]=4 15 B9R1.2 CCc1cccc(O)c1 T21170 [0,0,0,0,0,1|3,0,0]=4 16 B9R1.2 CNc1cccc(C)c1 T0557 [0,0,0,0,0,1|3,0,0]=4 17 B9R1.2 COc1cccc(C)c1 T21278 [0,0,0,0,0,1|3,0,0]=4 18 B9R1.2 Cc1cccc(c1)[I]=O T32169 [0,0,0,0,0,1|2,0,1]=4 19 B9R1.2 ClCc1cccc(Cl)c1 T21091 [0,0,0,0,0,1|3,0,0]=4 20 B9R1.2 Fc1cccc(CCl)c1 T21179 [0,0,0,0,0,1|3,0,0]=4 21 B9R1.2 NCc1ccnc(Cl)c1 T7185 [0,0,0,0,0,1|3,0,0]=4 22 B9R1.2 OCc1ccc[n+]([O-])c1 T0257 [0,0,0,0,0,1|3,0,0]=4 23 B9R1.2 OCc1cccc(I)c1 T21214 [0,0,0,0,0,1|2,0,0]=3 24 B9R1.2 OCc1cccc(O)c1 T4760 [0,0,0,0,0,1|2,0,0]=3 25 B9R1.2 ONc1ccnc(=O)[nH]1 T9463 [0,0,0,0,0,1|3,0,0]=4 26 B6R0.4 NC/C=C/C(O)=O T23414 [1,0,1,0,0,0|2,0,0]=4 27 B6R0.4 OC/C=C/C(O)=O T23473 [1,0,1,0,0,0|1,0,0]=3 28 B6R0.6 CC/C=C\CCO T22295 [1,0,1,0,0,0|0,0,2]=4 29 B6R0.6 CCC/C=C/CO TN5162 [1,0,1,0,0,0|0,0,2]=4 30 B6R1.2 C[c-]1cccc1 T20558 [2,0,0,0,0,0|1,0,1]=4 31 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [1,1,0,0,0,0|1,0,1]=4 32 B8R1.7 OC(=O)c1ccco1 T5544 [1,1,0,0,0,0|0,0,1]=3 33 B8R1.18 CC1=CC(=O)OC1=O TN6957 [1,1,0,0,0,0|1,0,1]=4 34 B8R1.18 CC1OC(C)=CC1=O T22309 [1,1,0,0,0,0|0,0,1]=3 35 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.3 COc1ccc(CO)cc1 T20309 [0,1,0,0,0,1|1,0,0]=3 37 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,1,0,0,0,1|1,0,1]=4 40 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [0,1,0,0,0,1|1,0,1]=4 41 B10R1.25 CCc1ccc(C)cc1O T29345 [0,1,0,0,0,1|2,0,0]=4 42 B10R1.176 OCc1cc(=O)c(O)co1 T5889 [0,1,0,0,0,1|1,0,0]=3 43 B10R1.8 CCc1cc(C)cc(O)c1 T29396 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.10 Cc1cccc(CC#N)c1 T33456 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.30 CCc1nc(C)ccc1O T7875 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.30 CCc1nc(C)ccc1O T8624 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.113 CC(O)c1cccc(N)c1 T21106 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.31 OCc1ccc(o1)C(O)=O T5278 [0,2,0,0,0,0|0,0,1]=3 50 B8R1.2 OCc1ccccc1 T0732 [0,0,1,1,0,0|1,0,1]=4 51 B8R1.2 OCc1ccccn1 T1112 [0,0,1,1,0,0|1,0,1]=4 52 B8R1.2 OCc1cccnc1 T1299 [0,0,1,1,0,0|2,0,0]=4 53 B10R2.178 O=C1C=C[C@H]2CO[C@@H]1O2 T19712 [0,0,0,1,0,1|1,0,1]=4