0 B7R1.3 Nc1ccccc1 T4777 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.3 O=C1C=CCCN1 BBP02874 [0,0,0,0,0,0|1,0,3]=4 2 B7R1.3 OC1=CC=CC=C1 TCS0927 [0,0,0,0,0,0|0,0,0]=0 3 B6R1.1 c1cncnc1 T4809 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.2 NCC1=CC=CC=C1 BBP04286 [0,1,0,0,0,0|1,0,0]=2 5 B8R1.2 NCc1ccccc1 T4846 [0,1,0,0,0,0|1,0,0]=2 6 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [0,1,0,0,0,0|0,0,1]=2 7 B8R1.2 OCC1=CC=CC=C1 T0732 [0,1,0,0,0,0|0,0,0]=1 8 B8R1.3 Cc1cnc(C)cn1 T4801 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.3 OC1=CC=C(O)C=C1 T0673 [0,1,0,0,0,0|0,0,0]=1 10 B8R1.4 O=C1C=CNC(=O)N1 BBP01113 [0,1,0,0,0,0|2,0,1]=4 11 B8R1.4 OC1=CC=CC(O)=C1 BBP01971 [0,1,0,0,0,0|0,0,0]=1 12 B8R1.5 O=C1C=COC=C1O BBP03674 [0,1,0,0,0,0|1,0,0]=2 13 B8R1.5 OC1=C(O)C=CC=C1 BBP01074 [0,1,0,0,0,0|0,0,0]=1 14 B8R1.5 Oc1ccccc1O T4847 [0,1,0,0,0,0|0,0,0]=1 15 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [0,1,1,0,0,0|1,0,1]=4 16 B7R0.6 O=C(O)\C=C/C(=O)O T4913 [0,1,1,0,0,0|2,0,0]=4 17 B7R0.6 O=C(O)\C=C\C(=O)O BBP00430 [0,1,1,0,0,0|2,0,0]=4 18 B7R0.6 O=C(O)\C=C\C(=O)O T3763 [0,1,1,0,0,0|2,0,0]=4 19 B7R1.1 COC1=COC=C1 BBP00343 [0,1,0,0,1,0|1,0,0]=3 20 B9R1.1 O=CC1=CC=C(O)C=C1 BBP00159 [0,2,0,0,0,0|0,0,0]=2 21 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [0,2,0,0,0,0|0,0,0]=2 22 B9R1.1 OCC1=CC=C(O)C=C1 BBP00170 [0,2,0,0,0,0|0,0,0]=2 23 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [0,2,0,0,0,0|0,0,0]=2 24 B9R1.2 COC1=CC=CC(O)=C1 BBP00254 [0,2,0,0,0,0|0,0,0]=2 25 B9R1.2 OCc1cccc(O)c1 T4760 [0,2,0,0,0,0|0,0,0]=2 26 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,2,0,0,0,0|0,0,0]=2 27 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [0,2,0,0,0,0|0,0,1]=3 28 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [0,2,0,0,0,0|1,0,1]=4 29 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,2,0,0,0,0|1,0,1]=4 30 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [0,2,0,0,0,0|0,0,0]=2 31 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [0,2,0,0,0,0|1,0,0]=3 32 B9R1.6 O=C(O)c1ccccc1 T0833 [0,2,0,0,0,0|0,0,0]=2 33 B9R1.6 O=C(O)c1ccccn1 T4850 [0,2,0,0,0,0|1,0,0]=3 34 B9R1.6 O=C(O)c1cccnc1 T0879 [0,2,0,0,0,0|1,0,0]=3 35 B9R1.8 NCCc1ccccc1 T2935 [0,2,0,0,0,0|1,0,0]=3 36 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [0,2,0,0,0,0|0,0,1]=3 37 B9R1.8 OCCC1=CC=CC=C1 T0011 [0,2,0,0,0,0|0,0,0]=2 38 B9R1.15 COc1ccccc1O T1301 [0,2,0,0,0,0|0,0,0]=2 39 B9R1.15 OCC1=CC=CC=C1O BBP00748 [0,2,0,0,0,0|0,0,0]=2 40 B9R1.15 OCc1ccccc1O T0311 [0,2,0,0,0,0|0,0,0]=2 41 B9R1.69 CC1=C(O)C=CC(O)=C1 BBP04832 [0,2,0,0,0,0|0,0,0]=2 42 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,2,0,0,0,0|0,0,0]=2 43 B9R1.3 CC1=C(O)C(=O)C=CO1 BBP02650 [0,2,0,0,0,0|1,0,0]=3 44 B9R1.3 OC1=CC=CC(O)=C1O BBP01103 [0,2,0,0,0,0|0,0,0]=2 45 B9R1.3 OC1=CC=CC(O)=C1O T3749 [0,2,0,0,0,0|0,0,0]=2 46 B9R1.34 CC1=CC(O)=CC(O)=C1 BBP01205 [0,2,0,0,0,0|0,0,0]=2 47 B9R1.34 Cc1cc(O)cc(O)c1 T3748 [0,2,0,0,0,0|0,0,0]=2