0 B9R1.6 C1=CC=C(C=C1)C(=O)O NPA008069 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 C=CC1=CC=CC=C1 NPA015288 [1,0,0,0,0,0|0,0,1]=2 2 B8R1.2 COC1=CC=CC=C1 NPA018776 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.13 C1=CC(=CC=C1C(=O)N)O NPA016028 [0,1,0,0,0,0|1,0,0]=2 4 B10R1.15 CSC(=O)C1=CC=CC=C1 NPA006840 [0,1,0,0,0,0|0,0,0]=1 5 B10R1.28 CC(C)(C1=CC=CC=C1)O NPA011090 [0,1,0,0,0,0|0,0,2]=3 6 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O NPA022113 [0,1,0,0,0,0|1,0,0]=2 7 B10R1.61 CC(=O)C1=CC=CC=C1N NPA005121 [0,1,0,0,0,0|0,0,0]=1 8 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O NPA007061 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.113 C1C(C=CC=C1C(=O)O)N NPA013886 [0,1,0,0,0,0|1,0,2]=4 10 B10R1.113 CC1=CC=CC(=C1)C(=O)C NPA016953 [0,1,0,0,0,0|0,0,0]=1 11 B8R0.8 C=C/C=C\C(C(=O)O)N NPA009971 [0,0,1,0,0,0|2,0,1]=4 12 B8R1.7 C1=CNC(=C1)C(=O)N NPA022114 [0,0,0,0,1,0|2,0,0]=3 13 B8R1.7 CC(C)C1=CC=CO1 NPA006134 [0,0,0,0,1,0|2,0,1]=4 14 B8R1.7 O=C(O)C1=CN=CN1 NPA032468 [0,0,0,0,1,0|3,0,0]=4 15 B10R1.18 CC(=O)CC1=CC=CC=C1 NPA018784 [0,0,0,0,0,1|0,0,0]=1 16 B7R0.1 C/C=C/C/C=C/C=C NPA015312 [1,0,1,0,0,0|0,0,1]=3 17 B9R0.1 C/C=C(/C)\C=C\C=C(C)C NPA004953 [0,1,1,0,0,0|1,0,1]=4 18 B9R1.1 C1=CC(=CC=C1[N+]#N)O NPA002101 [1,1,0,0,0,0|2,0,0]=4 19 B9R1.1 O=CC1=CC=C(C=C1)O NPA032546 [1,1,0,0,0,0|0,0,0]=2 20 B9R1.2 CC1=CC(=CC=C1)OC NPA008038 [1,1,0,0,0,0|1,0,0]=3 21 B9R1.2 COC1=CC(=O)OC=C1 NPA036051 [1,1,0,0,0,0|2,0,0]=4 22 B9R1.2 OCC1=CC(=CC=C1)O NPA032542 [1,1,0,0,0,0|0,0,2]=4 23 B9R1.15 CCC1=CC=CC=C1C NPA019124 [1,1,0,0,0,0|0,0,1]=3 24 B9R1.35 CC1=CC=C(O1)C(=O)C NPA011986 [0,1,0,0,1,0|1,0,0]=3 25 B9R1.41 CC1=CNC=C1C(=O)C NPA004787 [0,1,0,0,1,0|1,0,0]=3 26 B11R1.20 C1=CC(=CC=C1CC(=O)N)O NPA016090 [0,1,0,0,0,1|1,0,0]=3 27 B11R1.20 O=C(O)CC1=CC=C(C=C1)O NPA032547 [0,1,0,0,0,1|1,0,0]=3 28 B11R1.36 CC(C(C1=CC=CC=C1)O)O NPA012543 [0,1,0,0,0,1|0,0,2]=4 29 B11R1.86 C1=COC=C(C1=O)CC(=O)O NPA015331 [0,1,0,0,0,1|2,0,0]=4 30 B11R1.852 COC(=O)C1=CC=CC=CO1 NPA009846 [0,1,0,0,0,1|0,0,0]=2 31 B11R1.3 CNC1=CC=C(C=C1)C(=O)N NPA022112 [0,2,0,0,0,0|1,0,0]=3 32 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O NPA011566 [0,2,0,0,0,0|1,0,0]=3 33 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)O NPA013732 [0,2,0,0,0,0|2,0,0]=4 34 B11R1.21 CC1=CC=C(OC1=O)C(=O)C NPA003401 [0,2,0,0,0,0|1,0,0]=3 35 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O NPA027819 [0,2,0,0,0,0|0,0,2]=4 36 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O NPA001349 [0,2,0,0,0,0|1,0,0]=3 37 B11R1.53 CC(=O)C1=CC=CC=C1NO NPA035405 [0,2,0,0,0,0|0,0,0]=2 38 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O NPA015138 [0,2,0,0,0,0|1,0,0]=3 39 B11R1.74 C1=C(C=C(C=C1O)O)C(=O)O NPA005829 [0,2,0,0,0,0|1,0,0]=3 40 B11R1.74 C1=C(C=C(C=C1O)O)[N+](=O)[O-] NPA005686 [0,2,0,0,0,0|2,0,0]=4 41 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O NPA013507 [0,2,0,0,0,0|0,0,0]=2 42 B11R1.74 CC1=CC(=CC(=O)N1)C(=O)C NPA015669 [0,2,0,0,0,0|1,0,0]=3 43 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O NPA030274 [0,2,0,0,0,0|1,0,0]=3 44 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O NPA006924 [0,2,0,0,0,0|0,0,0]=2 45 B11R2.10 C1C2=CC=CC=C2NC1=O NPA002938 [0,0,0,1,0,1|0,0,0]=2 46 B7R1.1 CCC1=CC=CO1 NPA014078 [1,0,0,0,1,0|1,0,1]=4 47 B11R1.91 CC(=O)OCC1=CC=CC=C1 NPA015851 [0,0,0,0,0,2|0,0,0]=2