0 B12R2.1 N#CC1=CNC2=C1C=CC=C2 a01483 [0,1,0,0,0,0|3,0,0]=4 1 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 c08607 [0,1,0,0,0,0|2,0,1]=4 2 B10R1.15 NNC(=O)C1=CC=CC=C1 e00706 [0,0,1,0,0,0|1,0,2]=4 3 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 a09436 [0,0,1,0,0,0|2,0,0]=3 4 B10R1.61 O=C(O)C1=C(O)C=CC=C1 e00882 [0,0,1,0,0,0|1,0,0]=2 5 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 m07340 [0,0,1,0,0,0|2,0,1]=4 6 B12R2.24 O=C1C=CC2=CC=CC=C2O1 c07899 [0,0,0,0,0,1|2,0,1]=4 7 B12R2.1081 O=C1N=NNC2=C1C=CC=C2 m08825 [0,0,0,0,0,1|1,0,1]=3 8 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 c08421 [0,0,0,0,0,1|3,0,0]=4 9 B9R1.6 CC(=O)C1=CC=CC=C1 c08846 [1,0,1,0,0,0|1,0,1]=4 10 B9R1.6 NC(=O)C1=CC=CC=C1 a03942 [1,0,1,0,0,0|0,0,2]=4 11 B9R1.6 O=C(O)C1=CC=CC=C1 e00688 [1,0,1,0,0,0|0,0,1]=3 12 B9R1.6 OB(O)C1=CC=CC=C1 c00853 [1,0,1,0,0,0|1,0,0]=3 13 B9R1.8 O\N=C\C1=CC=CN=C1 c05004 [1,0,1,0,0,0|1,0,0]=3 14 B11R1.12 CC\C(=N\O)C1=CC=CC=C1 c07299 [0,1,1,0,0,0|1,0,0]=3 15 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 m02696 [0,1,1,0,0,0|1,0,0]=3 16 B11R1.22 C\C(=N\O)C1=CC=C(Br)C=C1 a01486 [0,1,1,0,0,0|1,0,0]=3 17 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 c08649 [0,1,1,0,0,0|1,0,1]=4 18 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 c06007 [0,1,1,0,0,0|1,0,0]=3 19 B11R1.222 N\C(=N\O)C1=C(Cl)C=CC=C1 c07584 [0,1,1,0,0,0|1,0,0]=3 20 B11R1.1 C=CCOC1=CC=C(N)C=C1 c01982 [0,1,1,0,0,0|2,0,0]=4 21 B11R1.17 C=CCOC1=CC=CC=C1N c02910 [0,1,1,0,0,0|2,0,0]=4 22 B11R1.24 C=CCOC1=CC(N)=CC=C1 c07340 [0,1,1,0,0,0|2,0,0]=4 23 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 c04102 [0,1,1,0,0,0|1,0,1]=4 24 B11R1.53 COC1=C(C(N)=O)C=CC=C1 e00137 [0,1,1,0,0,0|1,0,1]=4 25 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 c08848 [0,1,1,0,0,0|2,0,0]=4 26 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 e00679 [0,1,1,0,0,0|1,0,1]=4 27 B11R1.167 NC(=O)C1=C(O)C=CC(Cl)=C1 c07352 [0,1,1,0,0,0|0,0,2]=4 28 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 e00950 [0,1,1,0,0,0|1,0,0]=3 29 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M06543 [1,1,0,0,0,0|2,0,0]=4 30 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 m08989 [0,1,0,0,0,1|2,0,0]=4 31 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 a04231 [0,1,0,0,0,1|2,0,0]=4 32 B13R2.328 CC1=NC(=O)C2=C(C=CC=C2)N1 a08045 [0,1,0,0,0,1|2,0,0]=4 33 B13R2.328 CC1=NC(O)=C2C=CC=CC2=N1 c00640 [0,1,0,0,0,1|2,0,0]=4 34 B13R2.369 OC1=NC2=CC=CC=C2N=C1O c05410 [0,1,0,0,0,1|2,0,0]=4 35 B13R2.3683 OC1=CC=C2C=C(O)C=CC2=C1 c08635 [0,1,0,0,0,1|2,0,0]=4 36 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 a07324 [0,1,0,0,0,1|2,0,0]=4 37 B13R2.342 OC1=CC=CC2=C(O)C=CC=C12 c08628 [0,1,0,0,0,1|2,0,0]=4 38 B13R2.371 OC1=CC=C(Br)C2=CC=CC=C12 a00565 [0,1,0,0,0,1|2,0,0]=4 39 B13R2.1613 NNC1=NN=CC2=CC=CC=C21 e00895 [0,1,0,0,0,1|2,0,0]=4 40 B13R2.1 O\N=C\C1=CNC2=CC=CC=C12 c06013 [0,2,0,0,0,0|2,0,0]=4 41 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N\O c08638 [0,2,0,0,0,0|2,0,0]=4 42 B9R1.11 C\C(=N/O)C1=CC=CS1 c00634 [0,0,1,0,1,0|2,0,0]=4 43 B11R1.86 CC(=O)NC1=CC=CC=C1O e01100 [0,0,1,0,0,1|1,0,1]=4