0 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 AMBZ0197 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 COC1=NC=C(C(=O)O)N=C1 AMPZ0017 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 AMBZ0054 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 AMOT0869 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 AMBZ0165 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.3 O=N(=O)C1=CC=C(CBr)C=C1 AMBZ0160 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.3 COC1=CC=C(CBr)C=C1 AMBZ0162 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AMPD00159 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AMPD00158 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.13 CC1=CC=C(C(N)=O)C=N1 AMPD00206 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.13 CC1=CC=C([C@H](C)N)C=N1 AMPD00297 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.13 CC1=CN=C(C(=O)O)C=N1 AMPZ0023 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 AMPD00110 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 AMPD00160 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.13 O=C(O)C1=CN=C(O)C=N1 AMPZ0014 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 OB(O)C1=CC=C(O)C=C1 AMBA00022 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 AMBZ0194 [0,1,0,0,0,0|1,0,1]=3 17 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 AMPD00245 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 AMGLY00012 [0,1,0,0,0,0|1,0,1]=3 19 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 AMOT0785 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 AMOT0624 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 AMBZ0266 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.452 COC1=CC=C(C(C)=O)C(N)=C1 AMBZ0060 [0,1,0,0,0,0|0,0,0]=1 23 B9R1.1 COC1=CC=C(O)C=N1 AMPD00162 [2,0,0,0,0,0|1,0,1]=4 24 B9R1.1 COC1=NC=C(Br)C=C1 AMPD00190 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.1 NCC1=CC=C(O)C=C1 AMBZ0457 [2,0,0,0,0,0|1,0,1]=4 26 B9R1.1 O=CC1=NC=C(Br)C=C1 AMPD00055 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.6 NC(=O)C1=CC=CC=N1 AMPD00164 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.6 O=C(Cl)C1=CC=CC=N1 AMPD00171 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.279 COC1=CC(F)=C(C=O)C=C1 AMBZ0264 [1,1,0,0,0,0|0,0,0]=2 30 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AMBZ0073 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AMBZ0384 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AMBZ0385 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AMBZ0449 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 AMBZ0473 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 AMBZ0460 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.22 COC(=O)C1=CC=C(N)C=N1 AMPD00019 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.22 COC(=O)C1=NC=C(C)N=C1 AMPZ0029 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 AMBZ0029 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.166 CC(=O)C1=CC=C(C)C=C1O AMBZ0314 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.166 CC1=CC(F)=CC=C1C(=O)O AMBZ0018 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 AMBZ0023 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.4 COC1=CC=C(CS(=O)(=O)Cl)C=C1 AMBZ0005 [0,1,0,0,0,1|2,0,0]=4 43 B13R1.139 CCOC1=CC=C([C@@H](N)CO)C=C1 AMGLY00011 [0,2,0,0,0,0|1,0,1]=4 44 B13R1.537 COC(=O)C1=CC=C(C(=O)O)C=N1 AMPD00041 [0,2,0,0,0,0|2,0,0]=4 45 B13R1.652 COC1=CC(Br)=C(C(=O)O)C=C1O AMBZ0074 [0,2,0,0,0,0|1,0,0]=3 46 B13R1.99 CNC1=C(N(=O)=O)C=CC(OC)=C1 AMBZ0335 [0,2,0,0,0,0|2,0,0]=4 47 B13R2.2130 CCC1=CC2=C(C=C1)C(=O)CC2 AMOT0746 [0,1,0,1,0,0|1,0,0]=3 48 B13R2.2130 COC1=CC2=C(C=C1)C(=O)OC2 AMOT0750 [0,1,0,1,0,0|0,0,0]=2 49 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)NC2 AMOT0033 [0,1,0,1,0,0|2,0,0]=4 50 B13R2.2130 N#CC1=CC=C2C(=O)CCC2=C1 AMOT0908 [0,1,0,1,0,0|2,0,0]=4 51 B13R2.2130 O=CC1=CC2=C(C=C1)C(=O)NC2 AMBZ0304 [0,1,0,1,0,0|2,0,0]=4 52 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 AMBZ0455 [0,1,0,1,0,0|1,0,0]=3 53 B9R1.35 CC(=O)C1=CN(C)N=C1 AMOT0089 [1,0,0,0,1,0|2,0,0]=4 54 B11R1.20 CC1=CC=C(CC(=O)O)N=C1 AMPD00137 [1,0,0,0,0,1|2,0,0]=4 55 B13R1.3 COC1=CC=C(\C=C\[N+](=O)[O-])C=C1 AMBZ0222 [0,0,0,0,0,2|2,0,0]=4