0 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1Cl CNP0081712.0 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1N CNP0239590.0 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1O CNP0002458.0 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.24 CC#CCCC(=O)C1=CC=CC=C1 CNP0333337.0 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 CNP0076659.0 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.24 CCCCCC(O)C1=CC=CC=C1 CNP0356148.0 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 CNP0207399.0 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 CNP0250568.0 [1,0,0,0,0,0|0,0,0]=1 8 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 CNP0071070.0 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.24 CCCCO[C@H](C)C1=CC=CC=C1 CNP0178892.1 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 CNP0204059.0 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.24 N#CCCCC(=O)C1=CC=CC=C1 CNP0255387.0 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.555 CCCCCCC1=CC=CC=C1C CNP0102963.0 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.674 C=CCOC(=O)C1=CC=CC=C1N CNP0100004.0 [1,0,0,0,0,0|0,0,2]=3 14 B13R1.674 CCCCC(=O)C1=CC=CC=C1O CNP0481328.0 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.674 CCCOC(=O)C1=CC=CC=C1O CNP0611678.0 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.674 O=C(OCCO)C1=CC=CC=C1O CNP0172292.0 [1,0,0,0,0,0|2,0,0]=3 17 B15R1.3965 CCCCCOC(=O)C1=CC=CC=C1Cl CNP0055636.0 [0,1,0,0,0,0|1,0,0]=2 18 B15R1.3965 CCCCCOC(=O)C1=CC=CC=C1O CNP0241972.0 [0,1,0,0,0,0|1,0,0]=2 19 B15R1.5815 O=C(OC[C@@H](O)CO)C1=CC=CC=C1O CNP0205681.1 [0,1,0,0,0,0|2,0,0]=3 20 B15R1.5815 O=C(OC[C@H](O)CO)C1=CC=CC=C1O CNP0205681.2 [0,1,0,0,0,0|2,0,0]=3 21 B15R1.8019 CC(=O)NCCC(=O)C1=CC=CC=C1N CNP0353255.0 [0,1,0,0,0,0|2,0,1]=4 22 B15R1.8019 CC(C)CCOC(=O)C1=CC=CC=C1O CNP0415725.0 [0,1,0,0,0,0|1,0,0]=2 23 B15R2.886 CCCC1=CC(=O)C2=CC=CC=C2N1 CNP0309002.0 [0,0,0,1,0,0|1,0,1]=3 24 B15R2.886 CCCC1=CC(=O)C2=CC=CC=C2O1 CNP0590985.0 [0,0,0,1,0,0|2,0,1]=4 25 B15R2.886 CCCC1=CC2=CC=CC=C2C(=O)O1 CNP0140490.0 [0,0,0,1,0,0|1,0,1]=3 26 B15R2.886 CCCC1=NC2=CC=CC=C2C(=O)O1 CNP0407619.0 [0,0,0,1,0,0|0,0,2]=3 27 B15R2.2243 CCC1COC(=N1)C2=CC=CC=C2O CNP0526582.0 [0,0,0,1,0,0|2,0,0]=3 28 B15R2.2243 O=C1C=CC=CC1=C2NC(CO2)CO CNP0081066.0 [0,0,0,1,0,0|3,0,0]=4 29 B15R2.2243 OC[C@@H]1COC(=N1)C2=CC=CC=C2O CNP0131670.1 [0,0,0,1,0,0|3,0,0]=4 30 B15R2.2243 OC[C@H]1COC(=N1)C2=CC=CC=C2O CNP0131670.2 [0,0,0,1,0,0|3,0,0]=4 31 B15R2.11504 O=C1O[C@H](C2=CC=CC(=C12)O)CCO CNP0109043.1 [0,0,0,1,0,0|2,0,0]=3 32 B15R1.1409 CCCCOC(=O)CC1=COC=CC1=O CNP0577362.0 [0,0,0,0,0,1|2,0,0]=3 33 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [2,0,0,0,0,0|0,0,1]=3 35 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [2,0,0,0,0,0|0,0,2]=4 36 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [2,0,0,0,0,0|0,0,2]=4 37 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [2,0,0,0,0,0|0,0,0]=2 38 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [2,0,0,0,0,0|0,0,2]=4 39 B12R1.30 CCCN=C(C)C1=CC=CC=C1 CNP0446142.0 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [2,0,0,0,0,0|0,0,0]=2 42 B12R1.30 NCCCC(=O)C1=CC=CC=N1 CNP0319250.0 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.267 CCCCOC1=CC=CC=C1N CNP0241644.0 [2,0,0,0,0,0|0,0,0]=2 47 B12R1.308 CCOC(=O)C1=CC=CC=C1N CNP0071170.0 [2,0,0,0,0,0|0,0,0]=2 48 B12R1.308 CCOC(=O)C1=CC=CC=C1O CNP0169358.0 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.308 CCOC(=O)C1=CN=CC=C1C CNP0414274.0 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.308 CCOC(=O)C1=CN=CC=C1N CNP0188449.0 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.308 CCO[P@H](=O)C1=CC=CC=C1O CNP0454157.1 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.308 NCCC(=O)C1=CC=CC=C1N CNP0017946.0 [2,0,0,0,0,0|1,0,0]=3 53 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N CNP0165219.0 [1,1,0,0,0,0|0,0,0]=2 54 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O CNP0230608.0 [1,1,0,0,0,0|0,0,0]=2 55 B14R1.20 CCCCOC(=O)C1=CC=CC(=C1)N CNP0039335.0 [1,1,0,0,0,0|0,0,0]=2 56 B14R1.38 CCCCCCC(=O)C1=CC=CC=N1 CNP0317762.0 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CNP0333667.0 [1,1,0,0,0,0|0,0,0]=2 58 B14R1.46 CCCCNS(=O)(=O)C1=CC=CC=C1 CNP0249531.0 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.163 CCC(C)COC(=O)C1=CC=CC=C1 CNP0266732.0 [1,1,0,0,0,0|0,0,0]=2 60 B14R1.163 O=C(OC[C@@H](O)CO)C1=CC=CC=C1 CNP0362518.1 [1,1,0,0,0,0|1,0,0]=3 61 B14R1.163 O=C(OC[C@H](O)CO)C1=CC=CC=C1 CNP0362518.2 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.166 CCCCC(=O)C(=O)C1=CC=CC=C1 CNP0565444.0 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.420 CC(=CCOC(=O)C1=CC=CC=C1)C CNP0611701.0 [1,1,0,0,0,0|0,0,2]=4 64 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 CNP0347277.0 [1,1,0,0,0,0|0,0,0]=2 65 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 CNP0453289.0 [1,1,0,0,0,0|1,0,0]=3 66 B14R1.159 CC(C)CCN=CC1=CC=CC=C1O CNP0435819.0 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1N CNP0119682.0 [1,1,0,0,0,0|0,0,0]=2 68 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1O CNP0415723.0 [1,1,0,0,0,0|1,0,0]=3 69 B14R1.160 NC1=CC=CC=C1C(=O)CCC(=O)O CNP0495481.0 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.939 COC1=CC=CC=C1C(=O)OCCCl CNP0036387.0 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.8282 CCCCC(=O)C1=C(C=CC=C1O)O CNP0357334.0 [1,1,0,0,0,0|1,0,0]=3 72 B16R1.7379 CCCCOC(=O)CC1=CC(=CC=C1O)O CNP0119173.0 [0,1,0,0,0,1|1,0,0]=3 73 B16R1.20 NCCCCNC(=O)C1=CC=CC(=C1O)O CNP0581397.0 [0,2,0,0,0,0|2,0,0]=4 74 B16R1.1730 CCCCOC(=O)C1=CC=CC=C1C(=O)O CNP0257384.0 [0,2,0,0,0,0|1,0,0]=3 75 B16R1.18704 COC1=CC=CC=C1C(=O)OCCN(C)C CNP0596490.0 [0,2,0,0,0,0|2,0,0]=4 76 B16R1.21625 CCCCOC(=O)C1=C(C=C(C=C1O)O)C CNP0144317.0 [0,2,0,0,0,0|1,0,0]=3 77 B16R1.7596 CCC=CCCOC(=O)C1=CC=CC=C1N CNP0024271.0 [0,2,0,0,0,0|0,0,0]=2 78 B16R1.7596 CCC=CCCOC(=O)C1=CC=CC=C1O CNP0084845.0 [0,2,0,0,0,0|1,0,0]=3 79 B16R1.7596 CCCCCCOC(=O)C1=CC=CC=C1O CNP0084718.0 [0,2,0,0,0,0|1,0,0]=3 80 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 CNP0002492.0 [0,0,1,1,0,0|1,0,1]=4 81 B14R2.510 CCC=C1OC(=O)C2=CC=CC=C12 CNP0003339.0 [1,0,0,1,0,0|0,0,2]=4 82 B14R2.24 NC1=CC=CC=C1C2=CCCCC2 CNP0612030.0 [1,0,0,1,0,0|1,0,0]=3 83 B14R2.67 CCCCC1=NC2=CC=CC=C2N1 CNP0232012.0 [1,0,0,1,0,0|2,0,0]=4 84 B14R2.3 CNCCC1=CNC2=CC=CC=C12 CNP0113759.0 [1,0,0,1,0,0|2,0,0]=4 85 B14R2.3 COCCC1=CNC2=CC=CC=C12 CNP0075718.0 [1,0,0,1,0,0|2,0,0]=4 86 B14R2.256 CC1COC(=N1)C2=CC=CC=C2O CNP0520569.0 [1,0,0,1,0,0|2,0,0]=4 87 B14R2.1019 CCC1=CC2=CC=CC=C2C(=O)O1 CNP0426577.0 [1,0,0,1,0,0|1,0,1]=4 88 B14R2.1019 CCC1=NC2=CC=CC=C2C(=O)O1 CNP0034319.0 [1,0,0,1,0,0|0,0,2]=4 89 B14R2.1019 O=C1CC(NC2=CC=CC=C12)CCl CNP0573844.0 [1,0,0,1,0,0|1,0,0]=3 90 B14R2.1019 O=C1CC(OC2=CC=CC=C12)CO CNP0410261.0 [1,0,0,1,0,0|2,0,0]=4 91 B14R2.8051 CC1=CC=CC2=C1C(=O)CC[C@H]2O CNP0549475.1 [1,0,0,1,0,0|2,0,0]=4 92 B14R2.8051 O=C1CC[C@@H](C2=CC=CC(=C12)O)O CNP0252911.2 [1,0,0,1,0,0|2,0,0]=4 93 B14R2.8051 O=C1CC[C@H](C2=CC=CC(=C12)O)O CNP0252911.1 [1,0,0,1,0,0|2,0,0]=4 94 B14R2.14868 CC[C@@H]1OC(=O)C2=C(C=CC=C12)O CNP0136895.1 [1,0,0,1,0,0|1,0,0]=3 95 B16R2.21720 CCC[C@@H]1CC(=O)C2=CC=CC(=C2O1)O CNP0511152.1 [0,1,0,1,0,0|2,0,0]=4 96 B16R2.19000 CCO[C@@H]1OC(=O)C2=C(C=CC=C12)OC CNP0351303.1 [0,1,0,1,0,0|2,0,0]=4 97 B16R2.19000 CCO[C@H]1OC(=O)C2=C(C=CC=C12)OC CNP0351303.2 [0,1,0,1,0,0|2,0,0]=4 98 B16R2.21692 CCCC1=CC(=O)C2=CC=CC=C2N1C CNP0222785.0 [0,1,0,1,0,0|1,0,1]=4 99 B16R2.757 CCC[C@H](N)C1=NC2=CC=CC=C2C1=O CNP0272039.1 [0,1,0,1,0,0|1,0,1]=4 100 B16R2.9914 CO[C@@H]1C2=CC=CC(=C2C(=O)O[C@H]1C)O CNP0355921.1 [0,1,0,1,0,0|2,0,0]=4 101 B16R2.9914 CO[C@H]1C2=CC=CC(=C2C(=O)O[C@@H]1C)O CNP0355921.2 [0,1,0,1,0,0|2,0,0]=4 102 B16R2.1054 O=C1N=C(NC2=CC=CC=C12)CCCO CNP0199984.0 [0,1,0,1,0,0|1,0,1]=4 103 B16R2.31647 CCCC=C1OC(=O)C2=C(C=CC=C12)O CNP0111291.0 [0,1,0,1,0,0|1,0,1]=4 104 B16R2.31647 CCCC[C@@H]1OC(=O)C2=C(C=CC=C12)O CNP0181320.1 [0,1,0,1,0,0|1,0,0]=3 105 B16R2.24933 CC(C)C[C@@H]1NC(=O)C2=CC=CC=C2N1 CNP0398724.1 [0,1,0,1,0,0|1,0,0]=3 106 B16R2.24933 CC(C)C[C@H]1NC(=O)C2=CC=CC=C2N1 CNP0398724.2 [0,1,0,1,0,0|1,0,0]=3 107 B16R2.81677 CC(O)C1CNC(=O)C2=CC=CC=C2O1 CNP0510296.0 [0,1,0,1,0,0|2,0,0]=4 108 B16R3.1722 C1=CC=C2C3=C(CCCCC3)NC2=C1 CNP0398638.0 [0,0,0,2,0,0|2,0,0]=4 109 B12R1.35 CCCCCC(=O)C1=CC=CO1 CNP0086014.0 [1,0,0,0,1,0|2,0,0]=4