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|1,0,1]=3 2 B10R1.15 CCC(N)C1=CC=CC=C1 c07353 [0,0,1,0,0,0|2,0,1]=4 3 B10R1.15 NNC(=O)C1=CC=CC=C1 e00706 [0,0,1,0,0,0|2,0,0]=3 4 B10R1.15 NNC(=O)C1=CC=NC=C1 c08623 [0,0,1,0,0,0|3,0,0]=4 5 B10R1.20 N#CC1=CC=CC=C1CBr m09519 [0,0,1,0,0,0|2,0,1]=4 6 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 a09436 [0,0,1,0,0,0|1,0,0]=2 7 B10R1.61 O=C(O)C1=C(O)C=CC=C1 e00882 [0,0,1,0,0,0|1,0,0]=2 8 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 m07340 [0,0,1,0,0,0|2,0,1]=4 9 B12R2.24 O=C1C=CC2=CC=CC=C2O1 c07899 [0,0,0,0,0,1|1,0,1]=3 10 B12R2.1081 NC1CCCC2=CC=CC=C21 e01074 [0,0,0,0,0,1|2,0,1]=4 11 B12R2.1081 O=C1N=NNC2=C1C=CC=C2 m08825 [0,0,0,0,0,1|2,0,0]=3 12 B9R1.6 CC(=O)C1=CC=CC=C1 c08846 [1,0,1,0,0,0|0,0,0]=2 13 B9R1.6 NC(=O)C1=CC=CC=C1 a03942 [1,0,1,0,0,0|1,0,0]=3 14 B9R1.6 O=C(O)C1=CC=CC=C1 e00688 [1,0,1,0,0,0|0,0,0]=2 15 B9R1.6 OB(O)C1=CC=CC=C1 c00853 [1,0,1,0,0,0|1,0,1]=4 16 B9R1.8 C\C=C\C1=NC=CC=C1 a03932 [1,0,1,0,0,0|2,0,0]=4 17 B11R1.12 CC\C(=N\O)C1=CC=CC=C1 c07299 [0,1,1,0,0,0|1,0,1]=4 18 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 e00712 [0,1,1,0,0,0|2,0,0]=4 19 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 c07252 [0,1,1,0,0,0|1,0,0]=3 20 B11R1.22 COC(=O)C1=CC=C(N)C=C1 c04948 [0,1,1,0,0,0|0,0,0]=2 21 B11R1.22 COC(=O)C1=CC=C(O)C=C1 e00879 [0,1,1,0,0,0|0,0,0]=2 22 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 e00711 [0,1,1,0,0,0|2,0,0]=4 23 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 M04886 [0,1,1,0,0,0|2,0,0]=4 24 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 a08341 [0,1,1,0,0,0|2,0,0]=4 25 B11R1.23 CC1=CC(C(=O)NN)=CC=C1 e00709 [0,1,1,0,0,0|2,0,0]=4 26 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 c05440 [0,1,1,0,0,0|1,0,0]=3 27 B11R1.23 COC(=O)C1=CC(O)=CC=C1 c00871 [0,1,1,0,0,0|0,0,0]=2 28 B11R1.23 NNC(=O)C1=CC(I)=CC=C1 M01603 [0,1,1,0,0,0|2,0,0]=4 29 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 m08174 [0,1,1,0,0,0|2,0,0]=4 30 B11R1.222 CNC(=O)C1=CC=CC=C1N c01847 [0,1,1,0,0,0|1,0,0]=3 31 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 a03954 [0,1,1,0,0,0|2,0,0]=4 32 B11R1.222 NNC(=O)C1=CC=CC=C1N c05360 [0,1,1,0,0,0|2,0,0]=4 33 B11R1.17 O=CNCC1=C(Cl)C=CC=C1 e00675 [0,1,1,0,0,0|1,0,0]=3 34 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 c04102 [0,1,1,0,0,0|2,0,0]=4 35 B11R1.53 COC1=C(C(N)=O)C=CC=C1 e00137 [0,1,1,0,0,0|2,0,0]=4 36 B11R1.159 CC1=C(N)C=CC=C1[N+](=O)[O-] c07360 [0,1,1,0,0,0|1,0,1]=4 37 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 c08848 [0,1,1,0,0,0|1,0,0]=3 38 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 e00679 [0,1,1,0,0,0|1,0,1]=4 39 B11R1.167 NC(=O)C1=C(O)C=CC(Cl)=C1 c07352 [0,1,1,0,0,0|2,0,0]=4 40 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 e00950 [0,1,1,0,0,0|1,0,0]=3 41 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M06543 [1,1,0,0,0,0|2,0,0]=4 42 B11R2.10 O=C1CC2=CC=CC=C2N1 c07629 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 M01606 [0,2,0,0,0,0|2,0,0]=4 44 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O c08335 [0,2,0,0,0,0|2,0,0]=4 45 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 c08319 [0,2,0,0,0,0|2,0,0]=4 46 B13R2.12159 N1C(=O)C2=CC=CC=C2S1(=O)=O e00893 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.86 CC(=O)NC1=C(C)C=CC=C1 a03955 [0,0,1,0,0,1|1,0,0]=3 48 B11R1.86 CC(=O)NC1=CC=CC=C1Cl a03950 [0,0,1,0,0,1|2,0,0]=4 49 B11R1.86 CC(=O)NC1=CC=CC=C1O e01100 [0,0,1,0,0,1|2,0,0]=4