0 B9R1.8 OCCC1=CC=CC=C1 D00192 [1,0,0,0,0,0|1,0,0]=2 1 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D01405 [0,1,0,0,0,0|0,0,0]=1 2 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D08286 [0,1,0,0,0,0|0,0,0]=1 3 B11R1.157 CC(=O)OC1=CC(O)=CC=C1 D02393 [0,1,0,0,0,0|2,0,1]=4 4 B11R1.157 C[C@H](N)CC1=CC(O)=CC=C1 D07150 [0,1,0,0,0,0|0,0,0]=1 5 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D00633 [0,1,0,0,0,0|0,0,0]=1 6 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D07870 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.192 NOCC1=CC(O)=C(Br)C=C1 D03158 [0,1,0,0,0,0|1,0,0]=2 8 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [2,0,0,0,0,0|1,0,1]=4 9 B8R1.2 OCC1=CC=CC=C1 D00077 [2,0,0,0,0,0|1,0,0]=3 10 B8R1.2 OCC1=CC=CN=C1 D05158 [2,0,0,0,0,0|2,0,0]=4 11 B8R1.4 CC1=CC(O)=CC=C1 D04951 [2,0,0,0,0,0|0,0,0]=2 12 B8R1.4 OC1=CC=CC(O)=C1 D00133 [2,0,0,0,0,0|1,0,0]=3 13 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [1,1,0,0,0,0|1,0,0]=3 14 B10R1.17 CNCCC1=NC=CC=C1 D01592 [1,1,0,0,0,0|1,0,0]=3 15 B10R1.17 CNCCC1=NC=CC=C1 D03102 [1,1,0,0,0,0|1,0,0]=3 16 B10R1.17 CNCCC1=NC=CC=C1 D07522 [1,1,0,0,0,0|1,0,0]=3 17 B10R1.17 NNCCC1=CC=CC=C1 D00505 [1,1,0,0,0,0|0,0,0]=2 18 B10R1.17 NNCCC1=CC=CC=C1 D08349 [1,1,0,0,0,0|0,0,0]=2 19 B10R1.17 OCCOC1=CC=CC=C1 D08359 [1,1,0,0,0,0|1,0,0]=3 20 B10R1.18 CC(N)CC1=CC=CC=C1 D02074 [1,1,0,0,0,0|0,0,0]=2 21 B10R1.18 CC(N)CC1=CC=CC=C1 D07445 [1,1,0,0,0,0|0,0,0]=2 22 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 D04704 [1,1,0,0,0,0|0,0,0]=2 23 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D02078 [1,1,0,0,0,0|0,0,0]=2 24 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D03740 [1,1,0,0,0,0|0,0,0]=2 25 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.10 CC[N+](C)(C)C1=CC=CC(O)=C1 D00994 [0,2,0,0,0,0|2,0,0]=4 28 B12R1.17 CNC[C@@H](O)C1=CC(O)=CC=C1 D08366 [0,2,0,0,0,0|0,0,0]=2 29 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D00511 [0,2,0,0,0,0|0,0,0]=2 30 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D08365 [0,2,0,0,0,0|0,0,0]=2 31 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D08966 [0,2,0,0,0,0|0,0,0]=2 32 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 D01019 [0,2,0,0,0,0|0,0,0]=2 33 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 D08192 [0,2,0,0,0,0|0,0,0]=2 34 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 D09794 [0,2,0,0,0,0|0,0,0]=2 35 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 D00076 [0,2,0,0,0,0|0,0,0]=2 36 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 D05206 [0,2,0,0,0,0|0,0,0]=2 37 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 D08284 [0,2,0,0,0,0|0,0,0]=2 38 B12R1.226 N=C(N)NCC1=CC(I)=CC=C1 D04559 [0,2,0,0,0,0|1,0,1]=4 39 B12R1.226 N=C(N)NCC1=CC(I)=CC=C1 D04560 [0,2,0,0,0,0|1,0,1]=4 40 B12R1.226 N=C(N)NCC1=CC([123I])=CC=C1 D01729 [0,2,0,0,0,0|1,0,1]=4 41 B12R1.226 N=C(N)NCC1=CC=CC([131I])=C1 D03308 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.1123 NCCC1=CC(O)=C(O)C=C1O D05294 [0,2,0,0,0,0|0,0,0]=2 43 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 D04117 [0,2,0,0,0,0|1,0,1]=4 44 B12R2.221 OC1=C2CCCC2=C(Cl)C=C1 D03464 [0,1,0,1,0,0|1,0,0]=3 45 B8R1.8 NCCC1=CNC=N1 D04444 [1,0,0,0,1,0|2,0,0]=4 46 B8R1.8 NCCC1=CNC=N1 D04445 [1,0,0,0,1,0|2,0,0]=4 47 B8R1.8 NCCC1=CNC=N1 D08040 [1,0,0,0,1,0|2,0,0]=4 48 B8R1.8 NCCC1=NNC=C1 D01187 [1,0,0,0,1,0|2,0,0]=4