0 B7R1.2 C=C1OC(=O)C=C1 TN2420 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.2 CC1=CCC(=O)O1 T7995 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.2 Cc1cc(N)no1 T0644 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 Cn1ccc(N)n1 T3295 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.2 O=C1NC(=O)C=C1 T4820 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 CC1=NCCN1 T21052 [1,0,0,0,0,0|1,0,2]=4 6 B6R1.2 C[c-]1cccc1 T20558 [1,0,0,0,0,0|2,0,1]=4 7 B6R1.2 Cc1cn[nH]c1 T0765 [1,0,0,0,0,0|2,0,0]=3 8 B6R1.2 Cn1ccnc1 T0575 [1,0,0,0,0,0|2,0,0]=3 9 B6R1.2 Nc1nccs1 T0495 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,1,0,0,0,0|1,1,1]=4 11 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,1,0,0,0,0|1,0,1]=3 12 B8R1.18 CC1=CC(=O)OC1=O TN6957 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.18 CC1OC(C)=CC1=O T22309 [0,1,0,0,0,0|1,1,1]=4 14 B6R0.2 CC(C)SC(N)=N T23300 [0,0,1,0,0,0|1,0,2]=4 15 B8R1.3 Cc1cnc(C)cn1 T4801 [0,0,0,0,0,1|1,0,0]=2 16 B8R1.3 Nc1ccc(Cl)nc1 T7234 [0,0,0,0,0,1|3,0,0]=4 17 B8R1.4 C[C@@H]1CCN=C(N)S1 T22569 [0,0,0,0,0,1|1,0,2]=4 18 B8R1.4 Cc1cccc(O)c1 T33229 [0,0,0,0,0,1|3,0,0]=4 19 B8R1.4 Cc1cccc([O-])c1 T33983 [0,0,0,0,0,1|3,0,0]=4 20 B8R1.4 Nc1ccnc(O)n1 T4832 [0,0,0,0,0,1|3,0,0]=4 21 B8R1.4 Oc1ccnc(O)c1 T7963 [0,0,0,0,0,1|3,0,0]=4 22 B8R1.4 Sc1nccc(=O)[nH]1 T1310 [0,0,0,0,0,1|3,0,0]=4 23 B5R0.1 C/C=C/C(O)=O T5301 [1,0,1,0,0,0|1,1,0]=4 24 B5R0.1 CCSC(N)=N T22761 [1,0,1,0,0,0|1,0,1]=4 25 B5R1.1 c1cc[cH-]c1 T20786 [2,0,0,0,0,0|2,0,0]=4 26 B5R1.1 c1cn[nH]c1 T4842 [2,0,0,0,0,0|2,0,0]=4 27 B5R1.1 c1cnoc1 T7500 [2,0,0,0,0,0|2,0,0]=4 28 B7R1.1 COc1ccoc1 TN2959 [1,1,0,0,0,0|2,0,0]=4 29 B7R1.4 Cn1ccnc1S T0840 [1,1,0,0,0,0|2,0,0]=4 30 B7R1.4 Cn1sccc1=O T19774 [1,1,0,0,0,0|2,0,0]=4 31 B7R1.4 Cn1sccc1=O T28029 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.1 OCc1ccc(cn1)O T40502 [0,1,0,0,0,1|2,0,0]=4 33 B9R1.69 Cc1c[nH]c(=O)nc1N T5270 [0,1,0,0,0,1|2,0,0]=4 34 B9R1.69 Cc1cnc(O)c(C)n1 T31572 [0,1,0,0,0,1|2,0,0]=4 35 B9R1.2 CNc1cccc(C)c1 T0557 [0,1,0,0,0,1|2,0,0]=4 36 B9R1.2 COc1cccc(C)c1 T21278 [0,1,0,0,0,1|2,0,0]=4 37 B9R1.2 NCc1ccnc(Cl)c1 T7185 [0,1,0,0,0,1|2,0,0]=4 38 B9R1.7 Cn1cnc(CCN)c1 T13487 [0,2,0,0,0,0|2,0,0]=4 39 B9R1.7 Cn1cnc(CCN)c1 T8790 [0,2,0,0,0,0|2,0,0]=4 40 B9R1.22 Cc1cc(C#N)c(N)s1 T1376 [0,2,0,0,0,0|2,0,0]=4 41 B9R1.22 Cc1cc(C)c(C=O)[nH]1 T21347 [0,2,0,0,0,0|1,0,1]=4 42 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,2,0,0,0,0|1,0,0]=3 43 B9R1.35 Cc1ncc([nH]1)[N+]([O-])=O T0638 [0,2,0,0,0,0|2,0,0]=4 44 B7R1.3 Cc1ccccn1 T21323 [0,0,1,1,0,0|1,0,1]=4 45 B5R0.5 CC(=C)C(N)=O TN7113 [0,0,1,0,1,0|1,0,1]=4