0 B7R1.3 CC1=NC=CC=C1 T21323 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 Clc1cnccn1 T2193 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.1 c1cncnc1 T4809 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.2 N#Cc1ncccn1 T7451 [0,1,0,0,0,0|3,0,0]=4 4 B8R1.2 NCc1cccnc1 T1581 [0,1,0,0,0,0|2,0,0]=3 5 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [0,1,0,0,0,0|0,0,1]=2 6 B8R1.2 OCC1=CC=CC=C1 T0732 [0,1,0,0,0,0|0,0,0]=1 7 B8R1.2 OCc1ccccn1 T1112 [0,1,0,0,0,0|1,0,0]=2 8 B8R1.2 OCc1cccnc1 T1299 [0,1,0,0,0,0|1,0,0]=2 9 B8R1.3 Cc1cnc(C)cn1 T4801 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.3 Clc1ccc(Cl)cc1 T7431 [0,1,0,0,0,0|1,0,0]=2 11 B8R1.3 Nc1ccc(Cl)nc1 T7234 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.4 Oc1cccc(O)n1 T4720 [0,1,0,0,0,0|1,0,0]=2 13 B8R1.5 Nc1ccncc1N T4497 [0,1,0,0,0,0|2,0,0]=3 14 B8R1.5 Nc1ncccc1O T7923 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.5 O=c1ccocc1O TL0015 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.5 ON1C=CC=CC1=S T12593 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.4 NC\C=C\C(=O)O T23414 [0,0,1,0,0,0|2,0,1]=4 18 B6R0.4 O=C(O)\C=C\CO T23473 [0,0,1,0,0,0|2,0,1]=4 19 B6R1.2 C[C-]1C=CC=C1 T20558 [0,0,0,0,1,0|1,0,1]=3 20 B6R1.2 Cn1ccnc1 T0575 [0,0,0,0,1,0|3,0,0]=4 21 B6R1.2 Nc1nccs1 T0495 [0,0,0,0,1,0|3,0,0]=4 22 B5R0.1 C\C=C\C(=O)O T5301 [1,0,1,0,0,0|1,0,1]=4 23 B7R0.4 C\C=C\C=C\C(=O)O T8019 [0,1,1,0,0,0|1,0,0]=3 24 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [0,1,1,0,0,0|1,0,1]=4 25 B7R0.6 NC(=O)\C=C/C(=O)O T4905 [0,1,1,0,0,0|2,0,0]=4 26 B7R0.6 O=C(O)\C=C/C(=O)O T4913 [0,1,1,0,0,0|2,0,0]=4 27 B7R0.6 O=C(O)\C=C\C(=O)O T2769 [0,1,1,0,0,0|2,0,0]=4 28 B7R0.6 O=C(O)\C=C\C(=O)O T3763 [0,1,1,0,0,0|2,0,0]=4 29 B7R1.2 O=C1C=CC(=O)N1 T4820 [0,1,0,0,1,0|1,0,1]=4 30 B9R1.5 O=C1C=CC=CC=C1O T8087 [0,1,0,0,0,1|0,0,0]=2 31 B9R1.1 CCc1ccc(O)cc1 T5883 [0,2,0,0,0,0|0,0,0]=2 32 B9R1.1 COc1ccc(F)cc1 T0528 [0,2,0,0,0,0|0,0,0]=2 33 B9R1.1 COc1ccc(O)cc1 T0501 [0,2,0,0,0,0|0,0,0]=2 34 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [0,2,0,0,0,0|0,0,0]=2 35 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [0,2,0,0,0,0|0,0,0]=2 36 B9R1.2 CNc1cccc(C)c1 T0557 [0,2,0,0,0,0|1,0,0]=3 37 B9R1.2 NCc1ccnc(Cl)c1 T7185 [0,2,0,0,0,0|2,0,0]=4 38 B9R1.2 O=Cc1cccc(O)c1 T4778 [0,2,0,0,0,0|0,0,0]=2 39 B9R1.2 OCc1cccc(O)c1 T4760 [0,2,0,0,0,0|0,0,0]=2 40 B9R1.2 [O-][n+]1cccc(CO)c1 T0257 [0,2,0,0,0,0|1,0,0]=3 41 B9R1.6 CC(=O)c1ccccc1 T7446 [0,2,0,0,0,0|0,0,1]=3 42 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,2,0,0,0,0|0,0,0]=2 43 B9R1.6 N=C(N)c1ccccc1 T8362 [0,2,0,0,0,0|1,0,0]=3 44 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [0,2,0,0,0,0|0,0,1]=3 45 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [0,2,0,0,0,0|1,0,1]=4 46 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [0,2,0,0,0,0|1,0,1]=4 47 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,2,0,0,0,0|1,0,1]=4 48 B9R1.6 NC(=S)C1=CC=NC=C1 T1365 [0,2,0,0,0,0|1,1,0]=4 49 B9R1.6 O=C(O)c1ccccc1 T0833 [0,2,0,0,0,0|0,0,0]=2 50 B9R1.6 O=C(O)c1ccccn1 T4850 [0,2,0,0,0,0|1,0,0]=3 51 B9R1.6 O=C(O)c1cccnc1 T0879 [0,2,0,0,0,0|1,0,0]=3 52 B9R1.6 O=C(O)c1ccncc1 Fr13756 [0,2,0,0,0,0|1,0,0]=3 53 B9R1.6 O=C(O)c1cnccn1 T0569 [0,2,0,0,0,0|2,0,0]=4 54 B9R1.6 O=C([O-])c1ccccc1 T8124 [0,2,0,0,0,0|0,0,1]=3 55 B9R1.6 O=C([O-])c1ccccn1 T4575 [0,2,0,0,0,0|1,0,1]=4 56 B9R1.8 NCCC1=NC=CC=C1 T22501 [0,2,0,0,0,0|2,0,0]=4 57 B9R1.8 NCCc1ccccc1 T2935 [0,2,0,0,0,0|1,0,0]=3 58 B9R1.8 NCCc1ccccc1 T7433 [0,2,0,0,0,0|1,0,0]=3 59 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [0,2,0,0,0,0|0,0,1]=3 60 B9R1.8 OCCC1=CC=CC=C1 T0011 [0,2,0,0,0,0|0,0,0]=2 61 B9R1.8 OCCc1ccccn1 T0658 [0,2,0,0,0,0|1,0,0]=3 62 B9R1.15 COc1ccccc1O T1301 [0,2,0,0,0,0|0,0,0]=2 63 B9R1.15 COc1ccccc1O T3267 [0,2,0,0,0,0|0,0,0]=2 64 B9R1.15 OCc1ccccc1O T0311 [0,2,0,0,0,0|0,0,0]=2 65 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [0,2,0,0,0,0|1,0,0]=3 66 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,2,0,0,0,0|0,0,0]=2 67 B9R1.69 NC1=C(O)C=C(F)C=C1 T1370 [0,2,0,0,0,0|0,0,0]=2 68 B9R1.3 Cc1cccc(O)c1O T3742 [0,2,0,0,0,0|0,0,0]=2 69 B9R1.3 Cc1occc(=O)c1O T5545 [0,2,0,0,0,0|1,0,0]=3 70 B9R1.3 OC1=CC=CC(O)=C1O T3749 [0,2,0,0,0,0|0,0,0]=2 71 B9R1.34 Cc1cc(O)cc(O)c1 T3748 [0,2,0,0,0,0|0,0,0]=2 72 B5R1.1 C1=CON=C1 T7500 [1,0,0,0,1,0|2,0,0]=4 73 B5R1.1 C1=C[CH-]C=C1 T20786 [1,0,0,0,1,0|0,0,1]=3