0 B12R1.37 CCCCCCCC1=CC=CN1 CNP0033331.0 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.37 CCCCCCCC1=CC=CO1 CNP0285753.0 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.4 CCCCCCC1=CC=CN1 CNP0018367.0 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.4 CCCCCCC1=CC=CO1 CNP0305092.0 [1,0,0,0,0,0|0,0,0]=1 4 B11R1.4 CCCCCCC1=CC=CS1 CNP0087331.0 [1,0,0,0,0,0|0,1,0]=2 5 B13R1.27 CCCCCCCC1C=CC(=O)O1 CNP0546311.0 [0,1,0,0,0,0|0,0,1]=2 6 B13R1.27 CCCCCCC[C@@H]1CCC(=O)O1 CNP0201617.2 [0,1,0,0,0,0|0,0,3]=4 7 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 CNP0201617.1 [0,1,0,0,0,0|0,0,3]=4 8 B13R1.48 CCCCCCC(=O)C1=CC=CS1 CNP0123160.0 [0,1,0,0,0,0|0,1,1]=3 9 B13R1.119 CCCCCCCCC1=CC=CN1 CNP0100849.0 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.119 CCCCCCCCC1=CC=CO1 CNP0494414.0 [0,1,0,0,0,0|0,0,0]=1 11 B13R1.119 CCCCCCCCC1=CC=CS1 CNP0504932.0 [0,1,0,0,0,0|0,1,0]=2 12 B13R1.119 CCCCCCCCC1=CSC=C1 CNP0038967.0 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.119 OCCCCCCSC1=CSC=C1 CNP0117099.0 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.153 CCCCC(=O)OCC1=CC=CO1 CNP0202292.0 [0,1,0,0,0,0|1,0,1]=3 15 B11R0.3 C#CC=CCCCCCCCC CNP0234185.0 [0,0,1,0,0,0|1,0,2]=4 16 B11R0.3 C=CC#CCCCCCCCC CNP0570139.0 [0,0,1,0,0,0|1,0,2]=4 17 B11R0.3 C=CC=CC=CCCCCCC CNP0076022.0 [0,0,1,0,0,0|1,0,1]=3 18 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [0,0,1,0,0,0|1,0,2]=4 19 B11R0.3 CC=CC=CCCCCCCC CNP0241958.0 [0,0,1,0,0,0|1,0,0]=2 20 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [0,0,1,0,0,0|1,0,2]=4 21 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [0,0,1,0,0,0|1,0,2]=4 22 B11R0.3 CCCCCCC=CC=CC=O CNP0162200.0 [0,0,1,0,0,0|0,0,2]=3 23 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [0,0,1,0,0,0|0,0,2]=3 24 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [0,0,1,0,0,0|0,0,2]=3 25 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [0,0,1,0,0,0|1,0,2]=4 26 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,0,1,0,0,0|1,0,2]=4 27 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [0,0,1,0,0,0|0,0,2]=3 28 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,0,1,0,0,0|1,0,2]=4 29 B13R2.18 OC1CCCNC1C2=CC=CO2 CNP0027982.0 [0,0,0,1,0,0|2,0,0]=3 30 B13R1.28 CCC=CCCCC1=CC=CC=N1 CNP0137989.0 [0,0,0,0,0,1|1,0,2]=4 31 B13R1.28 CCCCCCCC1=CC=CC=C1 CNP0084843.0 [0,0,0,0,0,1|1,0,0]=2 32 B13R1.28 CCCCCCCC1=CC=CC=N1 CNP0303732.0 [0,0,0,0,0,1|1,0,0]=2 33 B13R1.28 CCCCCCCC1=CC=CN=C1 CNP0003441.0 [0,0,0,0,0,1|1,0,0]=2 34 B13R1.28 OCCCCCCC1=CC=CC=C1 CNP0214808.0 [0,0,0,0,0,1|2,0,0]=3 35 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [1,0,1,0,0,0|0,0,2]=4 36 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [1,0,1,0,0,0|0,0,2]=4 37 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [1,0,1,0,0,0|0,0,2]=4 38 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,0,1,0,0,0|0,0,2]=4 39 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,0,1,0,0,0|0,0,2]=4 40 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [1,0,1,0,0,0|0,0,2]=4 41 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [1,0,1,0,0,0|0,0,2]=4 42 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [1,0,1,0,0,0|0,0,2]=4 43 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [1,0,1,0,0,0|0,0,1]=3 44 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [1,0,1,0,0,0|0,0,1]=3 45 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [1,0,1,0,0,0|1,0,1]=4 46 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [1,0,1,0,0,0|1,0,1]=4 47 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [1,0,1,0,0,0|0,0,1]=3 48 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [1,0,1,0,0,0|0,0,1]=3 49 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [1,0,1,0,0,0|1,0,1]=4 50 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [2,0,0,0,0,0|0,0,2]=4 52 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [2,0,0,0,0,0|0,0,2]=4 53 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [2,0,0,0,0,0|0,0,0]=2 54 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [2,0,0,0,0,0|0,1,0]=3 55 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.21 CCCCCC1=NC=CS1 CNP0002560.0 [2,0,0,0,0,0|1,1,0]=4 58 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [0,1,1,0,0,0|1,0,1]=4 59 B12R0.5 C=CC=CCCCCCCCCC CNP0589614.0 [0,1,1,0,0,0|1,0,1]=4 60 B12R0.5 C=CC=CCCCCCCCCO CNP0306719.0 [0,1,1,0,0,0|1,0,1]=4 61 B12R0.5 C=CCCC=CCCCCCCC CNP0172346.0 [0,1,1,0,0,0|1,0,1]=4 62 B12R0.5 CC=CC=CCCCCCCCO CNP0203441.0 [0,1,1,0,0,0|1,0,0]=3 63 B12R0.5 CCC=CC=CCCCCCCO CNP0161971.0 [0,1,1,0,0,0|2,0,0]=4 64 B12R0.5 CCCCCCC=CC=CC=CO CNP0355741.0 [0,1,1,0,0,0|0,0,1]=3 65 B12R0.5 CCCCCCC=CC=CCCO CNP0364661.0 [0,1,1,0,0,0|0,0,2]=4 66 B12R0.5 CCCCCCCC=CC=CC=O CNP0081684.0 [0,1,1,0,0,0|0,0,1]=3 67 B12R0.5 CCCCCCCCC=CCCO CNP0107866.0 [0,1,1,0,0,0|0,0,2]=4 68 B12R0.5 CCCCCCCCCC=CC=O CNP0141647.0 [0,1,1,0,0,0|0,0,2]=4 69 B12R0.5 CCCCCCCCCC=CCO CNP0254277.0 [0,1,1,0,0,0|0,0,2]=4 70 B12R0.5 CCCCCCCCCCC=CO CNP0086116.0 [0,1,1,0,0,0|0,0,2]=4 71 B12R0.206 C=CCOC(=O)CCCCCCC CNP0051221.0 [0,1,1,0,0,0|0,0,1]=3 72 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [0,1,1,0,0,0|0,0,2]=4 73 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [0,1,1,0,0,0|0,0,1]=3 74 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [0,1,1,0,0,0|1,0,1]=4 75 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,1,1,0,0,0|1,0,1]=4 76 B12R0.248 C=CC(=O)OCCCCCCCC CNP0564168.0 [0,1,1,0,0,0|0,0,1]=3 77 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [0,1,1,0,0,0|2,0,0]=4 78 B12R0.4 CCCCCCCC(=O)OC(=O)C CNP0519254.0 [0,1,1,0,0,0|1,0,1]=4 79 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [1,1,0,0,0,0|0,0,1]=3 80 B12R1.35 CCCCCC(=O)C1=CC=CO1 CNP0086014.0 [1,1,0,0,0,0|0,0,1]=3 81 B12R1.51 CCCC(=O)OCC1=CC=CO1 CNP0002783.0 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.51 CCOC(=O)CCC1=CC=CO1 CNP0003158.0 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.255 CC(C)CCN=CC1=CC=CO1 CNP0434350.0 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.477 CCC(C)CN=CC1=CC=CO1 CNP0429593.0 [1,1,0,0,0,0|1,0,1]=4 85 B14R1.14 CCCCCCCC1=CC=C(C=C1)O CNP0506475.0 [0,1,0,0,0,1|1,0,0]=3 86 B14R1.14 CCCCCCCN1C=CC(=N)C=C1 CNP0026855.0 [0,1,0,0,0,1|2,0,0]=4 87 B14R1.14 CCCCCCOC1=CC=C(C=C1)O CNP0355656.0 [0,1,0,0,0,1|2,0,0]=4 88 B14R1.26 CCCCCC=CC1=CC=CC(=O)O1 CNP0123294.0 [0,1,0,0,0,1|0,0,2]=4 89 B14R1.26 CCCCCCCC1=CC=CC(=O)O1 CNP0355407.0 [0,1,0,0,0,1|0,0,0]=2 90 B14R1.26 CCCCCCC[C@@H]1CC=CC(=O)O1 CNP0175844.1 [0,1,0,0,0,1|0,0,1]=3 91 B14R1.38 CCCCCCC(=O)C1=CC=CC=N1 CNP0317762.0 [0,1,0,0,0,1|1,0,1]=4 92 B14R1.123 CCCCCCCCC1=CC=CN=C1 CNP0599221.0 [0,1,0,0,0,1|1,0,0]=3 93 B14R1.422 CC(C)CCCCCC1=CC=CC=C1 CNP0525810.0 [0,1,0,0,0,1|1,0,0]=3 94 B14R1.422 CC(C)CCOCCC1=CC=CC=C1 CNP0002392.0 [0,1,0,0,0,1|2,0,0]=4 95 B14R1.716 CCC(=O)CCCCC1=CC=CC=C1 CNP0547588.0 [0,1,0,0,0,1|1,0,1]=4 96 B14R1.716 CCC(O)CCCCC1=CC=CC=C1 CNP0576842.0 [0,1,0,0,0,1|1,0,0]=3 97 B14R1.716 COC(O)CCCCC1=CC=CC=C1 CNP0609221.0 [0,1,0,0,0,1|2,0,0]=4 98 B14R1.128 CC(C)CCCCCC1=CCC(=O)O1 CNP0116039.0 [0,2,0,0,0,0|0,0,1]=3 99 B14R1.128 CC(C)CCCCC[C@H]1C=CC(=O)O1 CNP0351121.1 [0,2,0,0,0,0|0,0,1]=3 100 B14R1.3127 CCCCCCCC1=NC(=C(O1)C)C CNP0211596.0 [0,2,0,0,0,0|1,0,0]=3 101 B14R1.3127 CCCCCCCC1=NC(=C(S1)C)C CNP0227480.0 [0,2,0,0,0,0|1,1,0]=4 102 B14R1.3452 CCCCCCCC1=C(C(=O)OC1)C CNP0225358.0 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.3454 CCCCCCCC1=NC(=CS1)CC CNP0002527.0 [0,2,0,0,0,0|1,1,0]=4 104 B14R1.169 CCCCCCCC(=O)C1=CC=CO1 CNP0373345.0 [0,2,0,0,0,0|0,0,0]=2 105 B14R1.169 CCCCCCOC(=O)C1=CC=CO1 CNP0002785.0 [0,2,0,0,0,0|0,0,1]=3 106 B14R1.40 CCCCCCCCCC1=NNC=C1 CNP0003078.0 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.609 CCOC(=O)CCSCC1=CC=CO1 CNP0051957.0 [0,2,0,0,0,0|1,0,1]=4 108 B14R1.4526 CC(C)COC(=O)CCC1=CC=CO1 CNP0002779.0 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [0,0,1,1,0,0|1,0,1]=4 110 B12R1.8 CCCCCCC1=CC=CN=C1 CNP0002604.0 [0,0,1,1,0,0|1,0,1]=4 111 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,0,1,1,0,0|0,0,2]=4 112 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,0,1,1,0,0|0,0,2]=4 113 B12R2.2 C1=COC(=C1)C2=NCCCC2 CNP0002566.0 [1,0,0,1,0,0|1,0,1]=4 114 B12R2.2 C1=COC(=C1)C2CCCCN2 CNP0113625.0 [1,0,0,1,0,0|1,0,0]=3 115 B12R2.2 C1=CSC(=C1)N2CCCCC2 CNP0521199.0 [1,0,0,1,0,0|1,1,0]=4 116 B12R2.98 C1=COC(=C1)CN2CCCC2 CNP0134055.0 [1,0,0,1,0,0|1,0,0]=3 117 B14R2.6 C1=CN=C(C=N1)CC2CCCCC2 CNP0002934.0 [0,0,0,1,0,1|1,0,0]=3 118 B14R2.14 CCN1CCC[C@@H]1C2=CC=CN=C2 CNP0180669.2 [0,0,0,1,0,1|2,0,0]=4 119 B14R2.14 CCN1CCC[C@H]1C2=CC=CN=C2 CNP0180669.1 [0,0,0,1,0,1|2,0,0]=4 120 B14R2.24 CN1CCCC[C@@H]1C2=CC=CN=C2 CNP0306364.2 [0,0,0,1,0,1|2,0,0]=4 121 B14R2.24 CN1CCCC[C@H]1C2=CC=CN=C2 CNP0306364.1 [0,0,0,1,0,1|2,0,0]=4 122 B14R2.256 CC1=CC=C(O1)C2NCCCC2O CNP0002601.0 [0,1,0,1,0,0|2,0,0]=4