0 B14R1.744 CC(=O)NC1=C(C(=O)NN)C=CC=C1 7646AE [0,0,0,0,0,0|2,0,0]=2 1 B14R1.744 COC(=O)C1=C(CC(=O)O)C=CC=C1 1429AJ [0,0,0,0,0,0|2,0,0]=2 2 B13R1.380 CC(=O)NC1=CC=CC=C1CCO 5404AJ [1,0,0,0,0,0|2,0,1]=4 3 B13R1.382 COC(=O)C1=CC=CC=C1N=[N+]=[N-] 0060AQ [1,0,0,0,0,0|2,0,1]=4 4 B13R1.589 C=C(C)CC1=CC=CC=C1C(=O)O 6705AE [1,0,0,0,0,0|2,0,0]=3 5 B13R1.589 CC(=O)CC1=CC=CC=C1[N+](=O)[O-] 1396AL [1,0,0,0,0,0|2,0,1]=4 6 B13R1.589 CC(=O)NC1=C(C(N)=O)C=CC=C1 3989AB [1,0,0,0,0,0|1,0,0]=2 7 B13R1.589 CC(=O)NC1=CN=CC=C1C(=O)O 7302AD [1,0,0,0,0,0|1,0,0]=2 8 B13R1.589 CC(C)NC1=NC=CC=C1C(=O)O 1830AF [1,0,0,0,0,0|2,0,1]=4 9 B15R1.810 C=C(C)CC1=CC=CC=C1C(=O)OCC 8900AE [0,1,0,0,0,0|2,0,0]=3 10 B15R1.3847 COC(=O)C1=C(NC(=O)CCl)C=CC=C1 6241AE [0,1,0,0,0,0|0,0,0]=1 11 B15R2.19309 COC(=O)C1=C2N=C(Cl)OC2=CC=C1 X8522 [0,0,0,1,0,0|1,0,2]=4 12 B15R2.19309 COC(=O)C1=CC=CC2=C1OC(C)=N2 2743AD [0,0,0,1,0,0|2,0,0]=3 13 B15R2.19309 COC(=O)C1=CC=CC2=CN(C)N=C21 Y5182 [0,0,0,1,0,0|2,0,1]=4 14 B13R1.547 COC(=O)C1=C(C(=O)O)C=CC=N1 V4622 [0,0,0,0,1,0|2,0,0]=3 15 B13R1.547 COC(=O)C1=C(C(C)C)C=CC=C1 6961AJ [0,0,0,0,1,0|1,0,1]=3 16 B13R1.547 COC(=O)C1=CC=CC=C1S(C)=O 4189AE [0,0,0,0,1,0|1,0,0]=2 17 B13R1.547 COC(=O)C1=NC=CC=C1[N+](=O)[O-] 7039AJ [0,0,0,0,1,0|3,0,0]=4 18 B13R1.551 COC(=O)C1=C(NC(C)=O)SC=C1 1280AB [0,0,0,0,1,0|1,0,0]=2 19 B13R1.551 COC(=O)C1=CSC=C1OC(C)=O W7670 [0,0,0,0,1,0|2,0,0]=3 20 B12R0.248 CCC\C=C/C=C/C=C/C(=O)OC X6365 [1,0,1,0,0,0|1,0,1]=4 21 B12R1.75 C=C(C)CC1=C(OC)C=CC=C1 3235AF [2,0,0,0,0,0|2,0,0]=4 22 B12R1.75 C=CC1=C(OC(C)=O)C=CC=C1 3120AL [2,0,0,0,0,0|1,0,1]=4 23 B12R1.75 CC(=O)NC1=CC=CC=C1C#N 3623AL [2,0,0,0,0,0|1,0,1]=4 24 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 3093AH [2,0,0,0,0,0|2,0,0]=4 25 B12R1.75 COC1=CC=CC=C1CC(=O)Cl 1722AL [2,0,0,0,0,0|2,0,0]=4 26 B12R1.75 COC1=CC=CC=C1OC(C)=O 6698AE [2,0,0,0,0,0|1,0,0]=3 27 B12R1.75 COC1=NC=CC=C1NC(C)=O 7169AB [2,0,0,0,0,0|1,0,0]=3 28 B12R1.75 CSC1=C(NC(C)=O)C=CC=C1 3877AH [2,0,0,0,0,0|0,1,0]=3 29 B12R1.77 CCC(=O)C1=C(OC)C=CC=C1 5586AE [2,0,0,0,0,0|2,0,0]=4 30 B12R1.77 COC(=O)C1=C(CO)C=CC=C1 5643AB [2,0,0,0,0,0|0,0,2]=4 31 B12R1.77 COC(=O)C1=CC=NC=C1OC 8906AB [2,0,0,0,0,0|2,0,0]=4 32 B12R1.283 CCNC1=NC=CC=C1C(=O)O 7802AE [2,0,0,0,0,0|1,0,1]=4 33 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 7178AD [2,0,0,0,0,0|1,0,1]=4 34 B12R1.283 CNCC1=C(C(=O)O)C=CC=C1 4977AE [2,0,0,0,0,0|2,0,0]=4 35 B12R1.283 O=CNC1=CC=CC=C1C(=O)O 0547AE [2,0,0,0,0,0|0,0,0]=2 36 B14R1.263 C=CCC1=C(C(=O)OCC)C=CC=C1 1851AE [1,1,0,0,0,0|1,0,1]=4 37 B14R1.789 COC(=O)C1=CC=CC=C1C#CCO X8670 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.3302 CCC(=O)NC1=C(C(=O)O)C=CC=C1 9961AA [1,1,0,0,0,0|0,0,0]=2 39 B14R1.3302 CNC(=O)NC1=C(C(=O)O)C=CC=C1 5703AB [1,1,0,0,0,0|0,0,0]=2 40 B14R1.3302 NC(=O)C1=C(NC(=O)CCl)C=CC=C1 7391AD [1,1,0,0,0,0|1,0,0]=3 41 B14R1.3302 O=C(CCl)NC1=CC=CC=C1C(=O)O 4360AD [1,1,0,0,0,0|0,0,0]=2 42 B14R1.4894 CC(=O)NC1=C(F)C=CC=C1C(=O)O 8007AB [1,1,0,0,0,0|0,0,0]=2 43 B14R1.4894 CC(=O)NC1=C([N+](=O)[O-])C=CC=C1C 8929AB [1,1,0,0,0,0|1,0,1]=4 44 B14R1.4894 CC(=O)OC1=C(C)C=CC=C1C(=O)O X5293 [1,1,0,0,0,0|1,0,0]=3 45 B14R1.4926 CC(=O)NC1=C([N+](=O)[O-])C(Br)=CC=C1 V9926 [1,1,0,0,0,0|1,0,1]=4 46 B14R1.4926 CC(=O)NC1=CC=CC(C)=C1C(=O)O 1441AJ [1,1,0,0,0,0|0,0,0]=2 47 B14R1.4926 CC(=O)OC1=C(C(=O)O)C(C)=CC=C1 9988AD [1,1,0,0,0,0|1,0,0]=3 48 B14R1.6074 CC(=O)NC1=C(C(=O)O)C=C(C)C=C1 0306AC [1,1,0,0,0,0|0,0,0]=2 49 B14R1.6074 CC(=O)NC1=CC=C(Br)C=C1[N+](=O)[O-] 3645AL [1,1,0,0,0,0|1,0,1]=4 50 B14R1.6074 CC(=O)NC1=CC=C(I)C=C1[N+](=O)[O-] Y6181 [1,1,0,0,0,0|1,0,1]=4 51 B14R1.6074 CC(=O)NC1=CC=C(O)C=C1[N+](=O)[O-] 9045AE [1,1,0,0,0,0|1,0,1]=4 52 B14R1.623 CCOC(=O)C1=CC=CC=C1N(C)C W6945 [0,1,0,0,1,0|2,0,0]=4 53 B14R1.707 COC(=O)C1=CC(O)=CC=C1[N+](=O)[O-] V6816 [0,1,0,0,1,0|2,0,0]=4 54 B14R1.745 COC(=O)C1=C(S(C)(=O)=O)C=CC=C1 6728AD [0,1,0,0,1,0|1,0,0]=3 55 B14R1.745 COC(=O)C1=CC=CN=C1S(C)(=O)=O V3212 [0,1,0,0,1,0|2,0,0]=4 56 B14R1.1153 COC(=O)C1=C(C(=O)O)C(N)=CC=C1 0774AA [0,1,0,0,1,0|1,0,0]=3 57 B14R1.1153 COC(=O)C1=C(C(=O)O)C(N)=CC=C1 5455AJ [0,1,0,0,1,0|1,0,0]=3 58 B14R1.724 COC(=O)C1=C(NC(C)=O)SC(Cl)=C1 7629AD [0,1,0,0,1,0|1,0,0]=3 59 B14R1.3308 COC(=O)C1=C(NC(=O)CBr)C=CS1 7773AD [0,1,0,0,1,0|1,0,0]=3 60 B16R1.960 CCOC(=O)C1=CC=CC=C1NC(=O)CCl 7049AE [0,2,0,0,0,0|0,0,0]=2 61 B16R1.1556 COCC(=O)NC1=CC=CC=C1C(=O)OC 3506AL [0,2,0,0,0,0|0,0,0]=2 62 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O 9075AB [1,0,0,1,0,0|1,0,0]=3 63 B14R2.10782 COC(=O)C1=CC=CC2=C1CNC2 X9692 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.10782 COC(=O)C1=CC=CC2=C1N=CO2 5405AA [1,0,0,1,0,0|0,0,2]=4 65 B14R2.10782 COC(=O)C1=CC=CC2=C1NCC2 Z7367 [1,0,0,1,0,0|0,0,1]=3 66 B14R2.10782 COC(=O)C1=CC=CC2=C1NN=C2 6378AC [1,0,0,1,0,0|1,0,1]=4 67 B14R2.712 CC(=O)C1=C2NC(=O)OC2=CC=C1 0974AC [1,0,0,1,0,0|1,0,0]=3 68 B14R2.712 O=C1CC2=C(N1)C(C(=O)O)=CC=C2 2156AL [1,0,0,1,0,0|0,0,0]=2 69 B14R2.8189 CC1(C)CC(=O)NC2=C1C=CC=C2 V7680 [1,0,0,1,0,0|1,0,1]=4 70 B14R2.24350 O=C(O)C1=CC=CC2=C1C(=O)CC2 W8011 [0,0,0,1,1,0|2,0,0]=4 71 B16R2.33951 COC(=O)C1=C2C=CC=CC2=NC(C)=C1 1814AJ [0,0,0,1,0,1|1,0,1]=4 72 B16R2.33951 O=C1CN(C(=O)CCl)C2=CC=CC=C2N1 3430AE [0,0,0,1,0,1|2,0,0]=4 73 B16R2.173205 COC(=O)C1=CC(C)=CC2=C1OC(=O)N2 2450AD [0,1,0,1,0,0|2,0,0]=4 74 B16R2.1948 CCC1=NC2=C(O1)C(C(=O)OC)=CC=C2 2567AD [0,1,0,1,0,0|2,0,0]=4 75 B16R2.33942 COC(=O)C1CCC(=O)C2=C1C=CC=C2 Z3255 [0,1,0,1,0,0|2,0,0]=4 76 B16R2.172725 COC(=O)C1=CC=CC2=C1NC(=O)C2=O X8637 [0,1,0,1,0,0|0,0,1]=3 77 B16R2.172392 COC(=O)C1=CC=C(F)C2=C1CC(=O)N2 4982AA [0,1,0,1,0,0|2,0,0]=4 78 B12R1.261 CC(=O)C1=CC=CN=C1C(=O)O 1120AC [1,0,0,0,1,0|1,0,0]=3 79 B12R1.261 CC(N)C1=C(C(=O)O)C=CC=C1 9995AH [1,0,0,0,1,0|1,0,1]=4 80 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O 6435AD [1,0,0,0,1,0|1,0,0]=3 81 B12R1.261 NC(=O)C1=C(C(=O)O)C=CC=N1 Z2506 [1,0,0,0,1,0|2,0,0]=4 82 B12R1.392 CC(=O)NC1=C(C(=O)O)SC=C1 W6605 [1,0,0,0,1,0|1,0,0]=3 83 B14R1.4522 CC(=O)C1=C(OCC(N)=O)C=CC=C1 3780AE [1,0,0,0,0,1|2,0,0]=4 84 B14R1.733 COC(=O)C1=CC(NC(C)=O)=NC=C1 Y3315 [0,0,0,0,1,1|1,0,0]=3