0 B8R1.3 Cc1cnc(C)cn1 T4801 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 Clc1ccc(Cl)cc1 T7431 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 Nc1ccc(Cl)nc1 T7234 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 CC1=NC=CC=C1 T21323 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.3 Clc1cnccn1 T2193 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.1 CCc1ccc(O)cc1 T5883 [0,1,0,0,0,0|1,0,0]=2 6 B9R1.1 COc1ccc(F)cc1 T0528 [0,1,0,0,0,0|1,0,0]=2 7 B9R1.1 COc1ccc(O)cc1 T0501 [0,1,0,0,0,0|0,0,0]=1 8 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [0,1,0,0,0,0|0,0,1]=2 9 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.69 NC1=C(O)C=C(F)C=C1 T1370 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.6 NC(=O)\C=C/C(=O)O T4905 [0,0,1,0,0,0|2,0,1]=4 14 B7R0.6 O=C(O)\C=C/C(=O)O T4913 [0,0,1,0,0,0|2,0,0]=3 15 B7R0.6 O=C(O)\C=C\C(=O)O T2769 [0,0,1,0,0,0|2,0,0]=3 16 B7R0.6 O=C(O)\C=C\C(=O)O T3763 [0,0,1,0,0,0|2,0,0]=3 17 B7R1.2 O=C1C=CC(=O)N1 T4820 [0,0,0,0,1,0|1,0,2]=4 18 B6R0.4 O=C(O)\C=C\CO T23473 [1,0,1,0,0,0|1,0,1]=4 19 B6R1.1 c1cncnc1 T4809 [2,0,0,0,0,0|2,0,0]=4 20 B8R0.23 C\C(=C/C(=O)O)C(=O)O T20880 [0,1,1,0,0,0|2,0,0]=4 21 B8R0.23 C\C(=C\C(=O)O)C(=O)O T4525 [0,1,1,0,0,0|2,0,0]=4 22 B8R1.2 NCc1cccnc1 T1581 [1,1,0,0,0,0|2,0,0]=4 23 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [1,1,0,0,0,0|0,0,1]=3 24 B8R1.2 OCC1=CC=CC=C1 T0732 [1,1,0,0,0,0|0,0,0]=2 25 B8R1.2 OCc1ccccn1 T1112 [1,1,0,0,0,0|1,0,0]=3 26 B8R1.2 OCc1cccnc1 T1299 [1,1,0,0,0,0|1,0,0]=3 27 B8R1.4 Oc1cccc(O)n1 T4720 [1,1,0,0,0,0|1,0,0]=3 28 B8R1.5 Nc1ccncc1N T4497 [1,1,0,0,0,0|2,0,0]=4 29 B8R1.5 Nc1ncccc1O T7923 [1,1,0,0,0,0|1,0,0]=3 30 B8R1.5 O=c1ccocc1O TL0015 [1,1,0,0,0,0|1,0,0]=3 31 B8R1.5 ON1C=CC=CC1=S T12593 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.1 N#CCc1ccc(O)cc1 Fr16745 [0,2,0,0,0,0|1,0,0]=3 33 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,2,0,0,0,0|1,0,0]=3 34 B10R1.1 NCCc1ccc(O)cc1 T3095 [0,2,0,0,0,0|1,0,0]=3 35 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,2,0,0,0,0|1,0,0]=3 36 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,2,0,0,0,0|0,0,0]=2 37 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,2,0,0,0,0|0,0,1]=3 38 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [0,2,0,0,0,0|0,0,1]=3 39 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [0,2,0,0,0,0|1,0,0]=3 40 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,2,0,0,0,0|1,0,0]=3 41 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [0,2,0,0,0,0|2,0,0]=4 42 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,2,0,0,0,0|0,0,0]=2 43 B10R1.13 O=C(O)C1=NC=C(O)N=C1 T10171 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,2,0,0,0,0|1,0,0]=3 45 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [0,2,0,0,0,0|1,0,1]=4 46 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [0,2,0,0,0,0|0,0,1]=3 47 B10R1.176 O=c1cc(CO)occ1O T5889 [0,2,0,0,0,0|1,0,0]=3 48 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [0,2,0,0,0,0|0,0,2]=4 49 B10R1.22 Cc1cc(O)cc(C)c1Cl T0898 [0,2,0,0,0,0|1,0,0]=3 50 B10R1.22 Oc1c(I)cc(I)cc1I T8628 [0,2,0,0,0,0|1,0,0]=3 51 B10R1.30 CCc1nc(C)ccc1O T7875 [0,2,0,0,0,0|2,0,0]=4 52 B10R1.30 CCc1nc(C)ccc1O T8624 [0,2,0,0,0,0|2,0,0]=4 53 B10R1.118 Nc1cc(N)c(N)cc1N T7119 [0,2,0,0,0,0|2,0,0]=4 54 B6R1.2 C[C-]1C=CC=C1 T20558 [1,0,0,0,1,0|1,0,1]=4