0 B7R1.2 Cc1cc(N)no1 T0644 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 Cn1ccc(N)n1 T3295 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 O=C1C=CC(=O)N1 T4820 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 C[C-]1C=CC=C1 T20558 [1,0,0,0,0,0|1,0,1]=3 4 B6R1.2 Cn1ccnc1 T0575 [1,0,0,0,0,0|3,0,0]=4 5 B6R1.2 Nc1nccs1 T0495 [1,0,0,0,0,0|2,1,0]=4 6 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [0,1,0,0,0,0|0,0,1]=2 7 B8R1.18 C=C1CC(=O)OC1=O T5321 [0,1,0,0,0,0|2,0,1]=4 8 B8R1.18 CC1=CC(=O)C(C)O1 T22309 [0,1,0,0,0,0|0,0,1]=2 9 B6R0.4 NC\C=C\C(=O)O T23414 [0,0,1,0,0,0|2,0,1]=4 10 B6R0.4 O=C(O)\C=C\CO T23473 [0,0,1,0,0,0|2,0,1]=4 11 B8R1.3 Cc1cnc(C)cn1 T4801 [0,0,0,0,0,1|2,0,0]=3 12 B8R1.3 Clc1ccc(Cl)cc1 T7431 [0,0,0,0,0,1|3,0,0]=4 13 B8R1.3 Nc1ccc(Cl)nc1 T7234 [0,0,0,0,0,1|3,0,0]=4 14 B8R1.4 Oc1cccc(O)n1 T4720 [0,0,0,0,0,1|3,0,0]=4 15 B5R0.1 C\C=C\C(=O)O T5301 [1,0,1,0,0,0|1,0,0]=3 16 B5R1.1 C1=CON=C1 T7500 [2,0,0,0,0,0|1,0,0]=3 17 B5R1.1 C1=C[CH-]C=C1 T20786 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.4 C\C=C\C=C\C(=O)O T8019 [0,1,1,0,0,0|1,0,0]=3 19 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [0,1,1,0,0,0|1,0,1]=4 20 B7R0.6 NC(=O)\C=C/C(=O)O T4905 [0,1,1,0,0,0|2,0,0]=4 21 B7R0.6 O=C(O)\C=C/C(=O)O T4913 [0,1,1,0,0,0|2,0,0]=4 22 B7R0.6 O=C(O)\C=C\C(=O)O T2769 [0,1,1,0,0,0|2,0,0]=4 23 B7R0.6 O=C(O)\C=C\C(=O)O T3763 [0,1,1,0,0,0|2,0,0]=4 24 B7R1.15 O=C1C=C([O-])C1=O T13777 [0,1,0,0,1,0|2,0,0]=4 25 B9R1.1 CCc1ccc(O)cc1 T5883 [0,1,0,0,0,1|2,0,0]=4 26 B9R1.1 COc1ccc(F)cc1 T0528 [0,1,0,0,0,1|2,0,0]=4 27 B9R1.1 COc1ccc(O)cc1 T0501 [0,1,0,0,0,1|2,0,0]=4 28 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [0,1,0,0,0,1|2,0,0]=4 29 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [0,1,0,0,0,1|2,0,0]=4 30 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,1,0,0,0,1|2,0,0]=4 31 B9R1.2 CNc1cccc(C)c1 T0557 [0,1,0,0,0,1|1,0,0]=3 32 B9R1.2 NCc1ccnc(Cl)c1 T7185 [0,1,0,0,0,1|2,0,0]=4 33 B9R1.2 OCc1cccc(O)c1 T4760 [0,1,0,0,0,1|2,0,0]=4 34 B9R1.3 Cc1cccc(O)c1O T3742 [0,1,0,0,0,1|2,0,0]=4 35 B9R1.3 Cc1occc(=O)c1O T5545 [0,1,0,0,0,1|2,0,0]=4 36 B9R1.34 Cc1cc(O)cc(O)c1 T3748 [0,1,0,0,0,1|2,0,0]=4 37 B9R1.21 O=Cc1ccc(CO)o1 T2943 [0,2,0,0,0,0|0,0,1]=3 38 B9R1.22 CC1=CC(C#N)=C(N)S1 T1376 [0,2,0,0,0,0|1,1,0]=4 39 B9R1.22 CC1=CC(C)=C(C=O)N1 T21347 [0,2,0,0,0,0|1,0,1]=4 40 B9R1.37 CC1=C(O)C(=O)C(C)O1 T5547 [0,2,0,0,0,0|0,0,1]=3 41 B7R1.3 CC1=NC=CC=C1 T21323 [0,0,1,1,0,0|1,0,1]=4