0 B12R1.56 CC(=O)C1=CC=C(O)C(C#N)=C1 5077AB [0,0,0,0,0,0|3,0,0]=3 1 B12R1.56 COC1=C(N)C=CC(C(C)=O)=C1 7565AD [0,0,0,0,0,0|2,0,0]=2 2 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1[O-] 0628AP [0,0,0,0,0,0|1,0,2]=3 3 B11R1.21 CC1=CC(C(=O)O)=CN=C1C 3056AJ [1,0,0,0,0,0|2,0,0]=3 4 B11R1.21 O=C(Cl)C1=CC=C(F)C(Br)=C1 V0688 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.266 CCC1=CC=CC(C(N)=S)=C1 2270AJ [1,0,0,0,0,0|2,1,0]=4 6 B11R1.266 CCC1=NC=CC(C(C)=O)=C1 9484AL [1,0,0,0,0,0|3,0,0]=4 7 B11R1.266 NC(=O)C1=CC=CC(N=O)=C1 E040 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 8131AA [1,0,0,0,0,0|3,0,0]=4 9 B11R1.266 NNC1=CC(C(=O)O)=CC=C1 W5898 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.266 O=C(O)C1=CC(CBr)=NC=C1 1253AJ [1,0,0,0,0,0|3,0,0]=4 11 B11R1.280 C=CC1=CC(C=C)=C(O)C=C1 S159 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.280 CSC1=CC(C=O)=CC=C1C Z0499 [1,0,0,0,0,0|1,1,0]=3 13 B11R1.280 CSC1=CC(CO)=CC=C1F Z1514 [1,0,0,0,0,0|1,1,1]=4 14 B13R1.13 CC(C)C1=CC(B(O)O)=CC=C1O Z1521 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.49 COC1=C(O)C=CC(C(=O)NN)=C1 7150AC [0,1,0,0,0,0|1,0,0]=2 16 B13R1.50 COC1=CC(S(=O)(=O)[O-])=CC=C1O 8855AL [0,1,0,0,0,0|1,0,1]=3 17 B13R1.298 COC1=CC(B(O)O)=CC(C)=C1F Z1517 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.651 COC1=C(C)C=C(Cl)C(B(O)O)=C1 Y2305 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.3091 COC1=C([N+]#N)C=CC([N+](=O)[O-])=C1 T273 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.3091 COC1=CC([N+](=O)[O-])=CC=C1[N+]#N X4404 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.3091 COC1=CC=C(B(O)O)C=C1SC Z1529 [0,1,0,0,0,0|1,1,1]=4 22 B13R1.3230 COC1=C(F)C(C(=O)O)=CC=C1F X4334 [0,1,0,0,0,0|1,0,0]=2 23 B13R2.430 O=C(O)C1=CC=C2SN=NC2=C1 6511AD [0,0,0,1,0,0|2,1,0]=4 24 B13R1.52 CC1=CC=C(CC(=O)O)C=C1C#N 5063AA [0,0,0,0,0,1|3,0,0]=4 25 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [2,0,0,0,0,0|1,0,0]=3 26 B10R1.13 NC1=CC=C(C(=O)O)C=N1 5387AH [2,0,0,0,0,0|2,0,0]=4 27 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 D232 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 7862AF [2,0,0,0,0,0|1,0,1]=4 29 B10R1.113 O=C(O)C1=CC(I)=CC=N1 6714AC [2,0,0,0,0,0|2,0,0]=4 30 B10R1.176 C=CC1=CC=C(O)C(O)=C1 9031AB [2,0,0,0,0,0|1,0,0]=3 31 B10R1.176 NC1=CC(C=O)=CC=C1Cl Y6396 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.172 COC1=CC(CBr)=CC=C1 B984 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.30 CNC1=C(O)C=CC(N)=C1 9417AJ [2,0,0,0,0,0|2,0,0]=4 34 B10R1.30 COC1=CC(N)=CC=C1I X6495 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.23 NC1=C(O)C=CC([As](=O)(O)O)=C1 7679AF [1,1,0,0,0,0|2,0,0]=4 36 B12R1.23 NC1=CC=C(S(=O)(=O)O)C=C1O 2172AB [1,1,0,0,0,0|2,0,0]=4 37 B12R1.48 CNC1=C(C)C=C(C(=O)O)C=C1 2341AJ [1,1,0,0,0,0|1,0,0]=3 38 B12R1.48 CSC1=CC=C(C(=O)O)C=C1Cl Y3816 [1,1,0,0,0,0|1,1,0]=4 39 B12R1.48 CSC1=NC=C(C(=O)O)C=C1C Z0137 [1,1,0,0,0,0|1,1,0]=4 40 B12R1.48 N#CC1=CC=C(C(=O)O)C=C1Br Y9535 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.232 CC1=C(C)NC(=O)C(C(=O)O)=C1 Y9297 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1Br 8946AA [1,1,0,0,0,0|2,0,0]=4 43 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=C1 X5465 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 V1638 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 4663AE [1,1,0,0,0,0|1,0,1]=4 46 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 2595AH [1,1,0,0,0,0|1,0,1]=4 47 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 2825AH [1,1,0,0,0,0|1,0,1]=4 48 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 W2004 [1,1,0,0,0,0|0,0,2]=4 49 B12R1.893 CC(=O)C1=CC=C(C)C(C)=C1N Y7597 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.893 CC1=C(O)C(O)=CC=C1C(=O)O 8636AA [1,1,0,0,0,0|0,0,0]=2 51 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Cl)C=C1 7028AB [1,1,0,0,0,0|2,0,0]=4 52 B12R1.1005 NC1=C(I)C=C(C(=O)O)C=C1Br X5454 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.11 CSC1=CC(Br)=CC(C(=O)O)=C1 Z0610 [1,1,0,0,0,0|0,1,0]=3 54 B12R1.11 CSC1=CC(F)=CC(C(=O)O)=C1 Z0609 [1,1,0,0,0,0|0,1,0]=3 55 B12R1.258 C[C@H](N)C1=CC=CC(C(=O)O)=C1 9144AH [1,1,0,0,0,0|1,0,0]=3 56 B12R1.279 CCOC1=CC=CC(C(=O)O)=N1 5938AB [1,1,0,0,0,0|1,0,0]=3 57 B12R1.279 CCOC1=CN=CC(C(=O)O)=C1 9936AL [1,1,0,0,0,0|1,0,0]=3 58 B12R1.279 CNCC1=CC=CC(C(=O)O)=C1 2350AJ [1,1,0,0,0,0|1,0,0]=3 59 B12R1.279 NCCC1=CC=CC(C(=O)O)=C1 1690AB [1,1,0,0,0,0|1,0,0]=3 60 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 X2835 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.435 COC(=O)C1=CC=CC(NN)=C1 Y6246 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.435 COC1=CC(\C(N)=N\O)=CC=C1 Y9950 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.440 CNC1=CC=CC(C(=O)O)=C1O 0089AP [1,1,0,0,0,0|1,0,0]=3 64 B12R1.440 O=C(O)C1=CC=CC(CO)=C1F Y9195 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.440 O=CC1=C(O)C(C(=O)O)=CC=C1 X7924 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.453 CC1=CC=C(C#N)C=C1C(=O)O 3202AJ [1,1,0,0,0,0|2,0,0]=4 67 B12R1.453 NCC1=CC(C(=O)O)=C(O)C=C1 2746AB [1,1,0,0,0,0|2,0,0]=4 68 B12R1.78 COC1=CC=C([Mg]Br)C=C1OC 8012AJ [1,1,0,0,0,0|2,0,0]=4 69 B12R1.286 COC1=CC(CC=O)=CC=C1O 8365AB [1,1,0,0,0,0|0,0,0]=2 70 B14R1.3651 COC1=C(OC)C=C(C[C@@H](C)O)C=C1 8150AA [0,1,0,0,0,1|1,0,1]=4 71 B14R1.12 CC(C)(C)C1=CC(C(=O)O)=CC=C1O X5654 [0,2,0,0,0,0|1,0,0]=3 72 B14R1.626 CNCC(O)C1=CC=C(O)C(OC)=C1 4061AC [0,2,0,0,0,0|1,0,1]=4 73 B14R1.626 COC1=C(O)C=CC(C(=O)CCO)=C1 W2099 [0,2,0,0,0,0|0,0,0]=2 74 B14R1.362 COC1=CC(C(N)=O)=CC(OC)=C1O 9448AJ [0,2,0,0,0,0|1,0,0]=3 75 B14R1.569 COC1=C(O)C(Cl)=C(Cl)C(C(=O)O)=C1 8496AC [0,2,0,0,0,0|0,0,0]=2 76 B14R1.676 CC(C)OC1=CC(C(=O)O)=CN=C1F Z0177 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.1851 COC1=C(OC)C=C(B(O)O)C(F)=C1 Z1052 [0,2,0,0,0,0|1,0,1]=4 78 B14R1.1851 COC1=CC(N)=C(C(N)=O)C=C1OC 6800AB [0,2,0,0,0,0|1,0,0]=3 79 B14R1.43 COC1=CC(C(N)=O)=CC=C1B(O)O Z1501 [0,2,0,0,0,0|1,0,0]=3 80 B12R2.44 BrCC1=CC=C2OCOC2=C1 2223AB [1,0,0,1,0,0|1,0,1]=4 81 B12R2.44 Br[Mg]C1=CC2=C(C=C1)OCO2 8008AJ [1,0,0,1,0,0|2,0,0]=4 82 B12R2.44 O=CC1=CC=C2CCNC2=C1 1354AJ [1,0,0,1,0,0|2,0,0]=4 83 B12R2.44 O=CC1=CN=C2OCOC2=C1 9267AH [1,0,0,1,0,0|1,0,0]=3 84 B14R2.1008 NC(=S)NC1=CC2=C(C=C1)OCO2 7432AE [0,0,0,1,0,1|1,1,0]=4 85 B14R2.966 O=C(CBr)C1=CC=C2OCOC2=C1 Y9022 [0,1,0,1,0,0|1,0,0]=3 86 B14R2.966 O=CC(=O)C1=CC2=C(C=C1)OCO2 7527AE [0,1,0,1,0,0|0,0,1]=3 87 B14R2.2167 COC1=CC2=C(C=C1C)CNC2=O 9100AC [0,1,0,1,0,0|2,0,0]=4 88 B10R1.39 CSC1=C(C(=O)O)C=CS1 Z0803 [1,0,0,0,1,0|1,1,0]=4 89 B12R1.87 CSC1=C(Br)C=CC=C1C(=O)O Z0641 [0,0,0,0,1,1|1,1,0]=4