0 B13R1.713 CC(C)C=C(C=O)C1=CC=CC=C1 CNP0154099.0 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.3 O=CC(=CNO)C1=CC=CC=C1 CNP0028719.0 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [1,0,0,0,0,0|1,0,1]=3 3 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [1,0,0,0,0,0|1,0,2]=4 4 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CNP0003326.0 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.107 CN(C)CC(=O)C1=CC=CC=C1 CNP0183220.0 [1,0,0,0,0,0|1,0,1]=3 6 B14R1.3297 CCC(C)C=C(C=O)C1=CC=CC=C1 CNP0003214.0 [0,1,0,0,0,0|0,0,0]=1 7 B14R2.2 CN(C)CC1=CNC2=CC=CC=C12 CNP0221160.0 [0,0,0,1,0,0|2,0,1]=4 8 B14R2.2 CN(C)CC1=C[N]C2=CC=CC=C12 CNP0538997.0 [0,0,0,1,0,0|2,0,1]=4 9 B14R2.2 C[C@@H](N)CC1=CNC2=CC=CC=C12 CNP0574647.1 [0,0,0,1,0,0|2,0,1]=4 10 B14R2.21 CC1=CC=CC(=C1)C2=CC=CC=C2 CNP0204278.0 [0,0,0,1,0,0|1,0,2]=4 11 B14R2.598 CC1=NN(C(=O)C1)C2=CC=CC=C2 CNP0361465.0 [0,0,0,1,0,0|2,0,1]=4 12 B12R1.478 CC(=O)C(=CN)C1=CC=CC=C1 CNP0043428.0 [0,0,0,0,1,0|2,0,1]=4 13 B12R1.478 CC(C)C(C=O)C1=CC=CC=C1 CNP0415741.0 [0,0,0,0,1,0|0,0,1]=2 14 B14R1.540 CC(C)CC=C(C=O)C1=CC=CC=C1 CNP0264414.0 [0,0,0,0,0,1|0,0,0]=1 15 B14R1.540 NC(=O)NC=C(C=O)C1=CC=CC=C1 CNP0023158.0 [0,0,0,0,0,1|2,0,1]=4 16 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [2,0,0,0,0,0|0,0,0]=2 17 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [2,0,0,0,0,0|0,0,1]=3 18 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [2,0,0,0,0,0|0,1,1]=4 19 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [2,0,0,0,0,0|0,0,2]=4 25 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [2,0,0,0,0,0|1,0,1]=4 26 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [2,0,0,0,0,0|0,0,2]=4 27 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [2,0,0,0,0,0|2,0,0]=4 29 B13R1.26 COCOC(C=O)C1=CC=CC=C1 CNP0149378.0 [1,1,0,0,0,0|1,0,1]=4 30 B13R1.405 CCO[C@H](C(=O)O)C1=CC=CC=C1 CNP0224902.1 [1,1,0,0,0,0|1,0,1]=4 31 B13R1.11 CCC(C)OC(=O)C1=CC=CC=C1 CNP0609113.0 [1,1,0,0,0,0|1,0,0]=3 32 B13R1.11 CCC(O)CC(=O)C1=CC=CC=C1 CNP0116208.0 [1,1,0,0,0,0|1,0,1]=4 33 B13R1.11 C[C@H](CO)OC(=O)C1=CC=CC=C1 CNP0076498.1 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)O CNP0491246.0 [1,1,0,0,0,0|1,0,0]=3 35 B13R1.152 CC(C)N(C)C(=O)C1=CC=CC=C1 CNP0411881.0 [1,1,0,0,0,0|1,0,0]=3 36 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 CNP0111003.0 [1,1,0,0,0,0|1,0,0]=3 37 B13R1.352 CC(C)(C)OC(=O)C1=CC=CC=C1 CNP0038467.0 [1,1,0,0,0,0|1,0,0]=3 38 B15R1.12293 CC(C)CCC(C(=O)O)C1=CC=CC=C1 CNP0609223.0 [0,1,0,0,0,1|0,0,2]=4 39 B15R1.3565 CC(C)C[C@H](NC1=CC=CC=C1)C(=O)O CNP0602780.1 [0,1,0,0,0,1|0,0,2]=4 40 B13R1.190 C=C/C=C/C=C/[C@@H]1O[C@@H](CC1=O)C CNP0250086.1 [0,0,1,1,0,0|1,0,1]=4 41 B13R1.190 C=C/C=C/C=C/[C@H]1O[C@@H](CC1=O)C CNP0250086.2 [0,0,1,1,0,0|1,0,1]=4 42 B13R2.3 C1=C(CCCC1)C2=CC=CC=C2 CNP0077019.0 [1,0,0,1,0,0|1,0,1]=4 43 B13R2.10 C[C@@H]1C=C(N=N1)C2=CC=CC=C2 CNP0053037.1 [1,0,0,1,0,0|2,0,0]=4 44 B13R2.10 C[C@H]1C=C(N=N1)C2=CC=CC=C2 CNP0053037.2 [1,0,0,1,0,0|2,0,0]=4 45 B13R2.15 O=C1CCC=C1C2=CC=CC=C2 CNP0587845.0 [1,0,0,1,0,0|0,0,0]=2 46 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 CNP0083426.0 [1,0,0,1,0,0|0,0,2]=4 47 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 CNP0294524.0 [1,0,0,1,0,0|1,0,1]=4 48 B13R2.1613 O=CN1CCCC2=CC=CC=C12 CNP0610512.0 [1,0,0,1,0,0|1,0,1]=4 49 B13R2.2931 CN1C=C(C2=CC=CC=C12)C=O CNP0174507.0 [1,0,0,1,0,0|1,0,0]=3 50 B13R2.2931 COC1=C[C@@H](C2=CC=CC=C12)C CNP0046972.1 [1,0,0,1,0,0|2,0,0]=4 51 B13R2.2931 COC1=C[C@H](C2=CC=CC=C12)C CNP0046972.2 [1,0,0,1,0,0|2,0,0]=4 52 B13R2.2931 O=CC1=CN(C2=CC=CC=C12)O CNP0017728.0 [1,0,0,1,0,0|2,0,0]=4 53 B13R2.328 C[C@H]1CC(=O)C2=CC=CC=C2O1 CNP0503770.1 [1,0,0,1,0,0|1,0,1]=4 54 B13R2.328 C[C@H]1CC2=CC=CC=C2C(=O)O1 CNP0277151.1 [1,0,0,1,0,0|1,0,0]=3 55 B13R2.12159 CC1(CC(=O)C2=CC=CC=C12)C CNP0322287.0 [1,0,0,1,0,0|0,0,1]=3 56 B13R2.12159 CC1(OC(=O)C2=CC=CC=C12)C CNP0053854.0 [1,0,0,1,0,0|1,0,0]=3 57 B13R2.12159 CC1=C[C@@](C2=CC=CC=C12)(C)O CNP0137434.1 [1,0,0,1,0,0|1,0,1]=4 58 B13R2.12159 CC1=C[C@](C2=CC=CC=C12)(C)O CNP0137434.2 [1,0,0,1,0,0|1,0,1]=4 59 B13R2.72 CC(C)C1=CNC2=CC=CC=C12 CNP0247889.0 [0,0,0,1,1,0|1,0,0]=3 60 B13R2.135 CC1=C(C2=CC=CC=C2N1)C=O CNP0132549.0 [0,0,0,1,1,0|1,0,1]=4 61 B15R2.6 CC(=CCC1=CNC2=CC=CC=C12)C CNP0151197.0 [0,0,0,1,0,1|1,0,1]=4 62 B15R2.6 CC(C)NCC1=CNC2=CC=CC=C12 CNP0583830.0 [0,0,0,1,0,1|1,0,1]=4 63 B15R2.59 CC(C)C1=CC=C(S1)C2=CC=CC=C2 CNP0260169.0 [0,0,0,1,0,1|1,0,0]=3 64 B15R2.39201 CC(=O)N1C=C(C2=CC=CC=C12)C=O CNP0170589.0 [0,0,0,1,0,1|1,0,1]=4 65 B15R2.629 CN(C)C=C1CC2=CC=CC=C2C1=O CNP0033471.0 [0,0,0,1,0,1|1,0,0]=3 66 B15R2.629 CN(C)C=C1NC2=CC=CC=C2C1=O CNP0593520.0 [0,0,0,1,0,1|1,0,0]=3 67 B15R2.1668 CC(=CC1=CC=C2C=CC=CC2=N1)C CNP0000209.0 [0,0,0,1,0,1|1,0,1]=4 68 B15R2.27 CC1=CC(=CC(=O)O1)C2=CC=CC=C2 CNP0318618.0 [0,1,0,1,0,0|1,0,1]=4 69 B15R2.27 CC1=CC(=O)OC(=C1)C2=CC=CC=C2 CNP0510383.0 [0,1,0,1,0,0|0,0,2]=4 70 B15R2.13159 CC1(OC(=CC1=O)C2=CC=CC=C2)C CNP0172383.0 [0,1,0,1,0,0|1,0,0]=3 71 B15R2.13159 CC1(OC(CC1=O)C2=CC=CC=C2)C CNP0108190.0 [0,1,0,1,0,0|1,0,1]=4 72 B15R2.53147 CC(C)/C=C/1\OC(=O)C2=CC=CC[C@@H]12 CNP0183403.1 [0,1,0,1,0,0|0,0,2]=4 73 B15R2.53147 CC(C)C=C1OC(=O)C2=CC=CC=C12 CNP0155304.0 [0,1,0,1,0,0|0,0,0]=2 74 B15R2.315 CC1(OC(=O)[C@@H](O1)C2=CC=CC=C2)C CNP0526110.1 [0,1,0,1,0,0|1,0,1]=4 75 B15R2.315 CC1(OC(=O)[C@H](O1)C2=CC=CC=C2)C CNP0526110.2 [0,1,0,1,0,0|1,0,1]=4 76 B15R2.323 CC1=C(C(=O)CC1O)C2=CC=CC=C2 CNP0334854.0 [0,1,0,1,0,0|1,0,0]=3 77 B15R2.4 CNC(C)CC1=CNC2=CC=CC=C12 CNP0342310.0 [0,1,0,1,0,0|1,0,1]=4 78 B15R2.21211 CN1C=C(C2=CC=CC=C2C1=O)C=O CNP0362969.0 [0,1,0,1,0,0|1,0,1]=4 79 B15R2.988 CC1=CC(=C2C=CC=CC2=N1)C(=O)O CNP0469228.0 [0,1,0,1,0,0|1,0,1]=4 80 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [1,0,0,0,1,0|1,0,1]=4 81 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [1,0,0,0,1,0|0,0,0]=2 82 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 CNP0492975.0 [1,0,0,0,1,0|1,0,0]=3 83 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [1,0,0,0,1,0|0,0,2]=4 84 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [1,0,0,0,1,0|0,0,2]=4 85 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [1,0,0,0,1,0|1,1,0]=4 86 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [1,0,0,0,1,0|1,0,0]=3 87 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [1,0,0,0,1,0|1,0,0]=3 88 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [1,0,0,0,1,0|2,0,0]=4 89 B11R1.298 CC(=C(C=O)C1=CC=CO1)C CNP0137976.0 [0,0,0,0,2,0|1,0,1]=4 90 B13R1.79 CSCC(=CC1=CC=CC=C1)C=O CNP0352550.0 [1,0,0,0,0,1|1,0,1]=4 91 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 CNP0127742.0 [1,0,0,0,0,1|0,0,1]=3 92 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 CNP0334296.0 [1,0,0,0,0,1|2,0,0]=4 93 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 CNP0043608.0 [1,0,0,0,0,1|1,0,0]=3 94 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 CNP0463813.0 [1,0,0,0,0,1|1,0,1]=4 95 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 CNP0319392.0 [1,0,0,0,0,1|0,0,1]=3 96 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 CNP0282252.0 [1,0,0,0,0,1|1,0,0]=3