0 B9R1.6 CN(C)C1=CN=CC=N1 D02929 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 NC(=O)C1=CN=CC=N1 D00144 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 O=C(O)C1=CN=CC=C1 D00049 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.2 OCC1=CC=CC=C1 D00077 [1,0,0,0,0,0|1,0,2]=4 9 B8R1.2 OCC1=CC=CN=C1 D05158 [1,0,0,0,0,0|0,0,2]=3 10 B10R1.13 CN(C)C1=CC=C(O)C=C1 D07852 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.13 NC1=CC=C(C(=O)O)C=C1 D02456 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02906 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02907 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [0,1,0,0,0,0|1,0,2]=4 15 B10R1.15 COC(=O)C1=CC=CN=C1 D04991 [0,1,0,0,0,0|0,0,0]=1 16 B10R1.15 NNC(=O)C1=CC=NC=C1 D00346 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.15 [*]OC(=O)C1=CC=CC=C1 D02816 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.61 NC(=O)C1=C(O)C=CC=C1 D01811 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.61 O=C(O)C1=C(O)C=CC=C1 D07293 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.61 O=C(O)C1=C(S)C=CC=C1 D08586 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.61 O=C(O)C1=CC=CC=C1O D00097 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.61 O=C(O)C1=CC=CC=C1O D08501 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00566 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00810 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D05788 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07694 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07824 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 D00971 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.7 O=C(O)C1=CC=CS1 D08568 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.18 CC(N)CC1=CC=CC=C1 D02074 [0,0,0,0,0,1|2,0,1]=4 31 B10R1.18 CC(N)CC1=CC=CC=C1 D07445 [0,0,0,0,0,1|2,0,1]=4 32 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 D04704 [0,0,0,0,0,1|2,0,1]=4 33 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D02078 [0,0,0,0,0,1|2,0,1]=4 34 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D03740 [0,0,0,0,0,1|2,0,1]=4 35 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [0,0,0,0,0,1|2,0,0]=3 36 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [0,0,0,0,0,1|2,0,0]=3 37 B7R0.4 C\C=C\C=C\C(=O)O D05892 [1,0,1,0,0,0|1,0,1]=4 38 B7R0.4 C\C=C\C=C\C(=O)[O-] D02411 [1,0,1,0,0,0|1,0,1]=4 39 B7R1.3 OC1=CC=CC=C1 D00033 [2,0,0,0,0,0|1,0,1]=4 40 B7R1.3 OC1=CC=CC=C1 D06534 [2,0,0,0,0,0|1,0,1]=4 41 B7R1.3 [O-]C1=CC=CC=C1 D05455 [2,0,0,0,0,0|1,0,1]=4 42 B9R1.1 COC1=CC=C(O)C=C1 D04926 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.8 OCCC1=CC=CC=C1 D00192 [1,1,0,0,0,0|1,0,1]=4 44 B9R1.15 COC1=CC=CC=C1O D00117 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 D00217 [0,1,0,0,0,1|1,0,0]=3 46 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 D00856 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.157 CC(=O)OC1=CC(O)=CC=C1 D02393 [0,1,0,0,0,1|1,0,0]=3 48 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 D07568 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 D01870 [0,2,0,0,0,0|1,0,0]=3 50 B11R1.22 COC(=O)C1=CC=C(O)C=C1 D01400 [0,2,0,0,0,0|1,0,0]=3 51 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 D02458 [0,2,0,0,0,0|1,0,0]=3 52 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 D00162 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 D00875 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.166 NC1=CC=C(C(=O)[O-])C([O-])=C1 D01643 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.166 NC1=CC=C(C(=O)[O-])C([O-])=C1 D03368 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.16 CCOC(=O)C1=CC=CN=C1 D08274 [0,2,0,0,0,0|0,0,0]=2 57 B11R1.16 O=C(NCO)C1=CN=CC=C1 D08051 [0,2,0,0,0,0|0,0,0]=2 58 B11R1.222 COC(=O)C1=CC=CC=C1O D01087 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.167 NC(=O)C1=NC(F)=CN=C1O D09537 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 D00377 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 D05464 [0,0,0,0,0,2|1,0,0]=3