0 B11R1.29 C=CCOC(=O)C1=CC=CO1 CNP0002876.0 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.29 CCCCC(=O)C1=CC=CO1 CNP0002605.0 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.29 CCCOC(=O)C1=CC=CO1 CNP0083141.0 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.29 COCNC(=O)C1=CC=CN1 CNP0458701.0 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [1,0,0,0,0,0|0,0,0]=1 5 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [1,0,0,0,0,0|0,1,0]=2 6 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.11 CCOC(=O)C1=COC=C1 CNP0228529.0 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.11 CCOC(=O)C1=NNC=C1 CNP0017794.0 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [1,0,0,0,0,0|0,0,3]=4 11 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [1,0,0,0,0,0|0,0,1]=2 12 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [1,0,0,0,0,0|0,0,1]=2 13 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [1,0,0,0,0,0|0,1,1]=3 14 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.21 CCCCCC1=NC=CS1 CNP0002560.0 [1,0,0,0,0,0|1,1,1]=4 17 B12R1.15 CCC(=O)CC(=O)C1=CC=CN1 CNP0583528.0 [0,1,0,0,0,0|1,0,1]=3 18 B12R1.29 COCNC(=O)C1=CC(=CN1)Br CNP0273248.0 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.29 COCNC(=O)C1=CC=C(N1)Br CNP0325253.0 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.35 CCCCCC(=O)C1=CC=CO1 CNP0086014.0 [0,1,0,0,0,0|0,0,0]=1 21 B12R1.35 CCSCCC(=O)C1=CC=CS1 CNP0369340.0 [0,1,0,0,0,0|0,1,0]=2 22 B12R1.36 CCOCC(OC)C1=CC=CO1 CNP0577140.0 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.54 CC(=O)CCC(=O)C1=COC=C1 CNP0262889.0 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.54 CC(C)CCC(=O)C1=COC=C1 CNP0108057.0 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.54 C[C@H](O)CCC(=O)C1=COC=C1 CNP0135487.1 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.54 O=C(O)CNC(=O)C1=CC=CO1 CNP0131505.0 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.2 C1=COC(=C1)C2=NCCCC2 CNP0002566.0 [0,0,0,1,0,0|1,0,0]=2 28 B12R2.2 C1=COC(=C1)C2CCCCN2 CNP0113625.0 [0,0,0,1,0,0|1,0,1]=3 29 B12R2.2 C1=CSC(=C1)N2CCCCC2 CNP0521199.0 [0,0,0,1,0,0|2,1,0]=4 30 B12R2.221 O=C1NC[C@@H](N2C1=CC=C2)O CNP0430739.1 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.221 O=C1NC[C@H](N2C1=CC=C2)O CNP0430739.2 [0,0,0,1,0,0|3,0,0]=4 32 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [0,0,0,0,0,1|1,0,2]=4 33 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [0,0,0,0,0,1|1,0,0]=2 34 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [0,0,0,0,0,1|1,0,2]=4 35 B12R1.30 CCCN=C(C)C1=CC=CC=C1 CNP0446142.0 [0,0,0,0,0,1|3,0,0]=4 36 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [0,0,0,0,0,1|2,0,0]=3 37 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [0,0,0,0,0,1|2,0,0]=3 38 B12R1.30 NCCCC(=O)C1=CC=CC=N1 CNP0319250.0 [0,0,0,0,0,1|2,0,0]=3 39 B12R1.30 NCCNC(=O)C1=CC=CC=N1 CNP0456305.0 [0,0,0,0,0,1|3,0,0]=4 40 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [0,0,0,0,0,1|2,0,0]=3 41 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [0,0,0,0,0,1|3,0,0]=4 42 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [0,0,0,0,0,1|3,0,0]=4 43 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [1,0,1,0,0,0|1,0,1]=4 44 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [1,0,1,0,0,0|2,0,0]=4 45 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [1,0,1,0,0,0|1,0,1]=4 46 B9R0.8 CSCCC(=O)C(=CO)O CNP0001738.0 [1,0,1,0,0,0|2,0,0]=4 47 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [1,0,1,0,0,0|0,0,1]=3 48 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [1,0,1,0,0,0|0,0,1]=3 49 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,0,1,0,0,0|1,0,0]=3 50 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,0,1,0,0,0|1,0,1]=4 51 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [1,0,1,0,0,0|0,0,1]=3 52 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [1,0,1,0,0,0|0,0,1]=3 53 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [2,0,0,0,0,0|0,0,0]=2 55 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [2,0,0,0,0,0|0,1,0]=3 56 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [2,0,0,0,0,0|1,1,0]=4 57 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [2,0,0,0,0,0|0,0,0]=2 63 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [2,0,0,0,0,0|2,0,0]=4 70 B11R0.154 CC=CC=CC(=O)CC(O)CO CNP0289529.0 [0,1,1,0,0,0|2,0,0]=4 71 B11R1.15 CCOC(=O)C1=CC(=CN1)C CNP0301824.0 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.31 CCC(=O)C(=O)C1=CC=CN1 CNP0132557.0 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.31 CCC(=O)C(=O)C1=CC=CO1 CNP0113129.0 [1,1,0,0,0,0|0,0,1]=3 74 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 CNP0334244.0 [1,1,0,0,0,0|0,0,1]=3 75 B11R1.4 CCCCCCC1=CC=CN1 CNP0018367.0 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.4 CCCCCCC1=CC=CO1 CNP0305092.0 [1,1,0,0,0,0|0,0,1]=3 77 B11R1.4 CCCCCCC1=CC=CS1 CNP0087331.0 [1,1,0,0,0,0|0,1,1]=4 78 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [1,1,0,0,0,0|0,0,2]=4 79 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [1,1,0,0,0,0|0,0,2]=4 80 B11R1.27 CCCCCC1=NC(=CO1)C CNP0193931.0 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [1,1,0,0,0,0|0,0,2]=4 82 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [1,1,0,0,0,0|0,0,2]=4 83 B11R1.172 CC(C)CN=CC1=CC=CO1 CNP0435049.0 [1,1,0,0,0,0|1,0,0]=3 84 B13R1.11 CCC(C)OC(=O)C1=CC=CC=C1 CNP0609113.0 [0,1,0,0,0,1|2,0,0]=4 85 B13R1.11 CCC(O)CC(=O)C1=CC=CC=C1 CNP0116208.0 [0,1,0,0,0,1|1,0,0]=3 86 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)O CNP0598021.0 [0,1,0,0,0,1|1,0,0]=3 87 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)N CNP0112115.0 [0,1,0,0,0,1|2,0,0]=4 88 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)O CNP0333884.0 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.18 CCCOC(=O)C1=CC=CC(=C1)N CNP0064197.0 [0,1,0,0,0,1|2,0,0]=4 90 B13R1.24 CC#CCCC(=O)C1=CC=CC=C1 CNP0333337.0 [0,1,0,0,0,1|1,0,1]=4 91 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 CNP0076659.0 [0,1,0,0,0,1|1,0,0]=3 92 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 CNP0207399.0 [0,1,0,0,0,1|1,0,0]=3 93 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 CNP0250568.0 [0,1,0,0,0,1|1,0,0]=3 94 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 CNP0071070.0 [0,1,0,0,0,1|1,0,0]=3 95 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 CNP0204059.0 [0,1,0,0,0,1|1,0,0]=3 96 B13R1.24 N#CCCCC(=O)C1=CC=CC=C1 CNP0255387.0 [0,1,0,0,0,1|1,0,1]=4 97 B13R1.26 CCCCC(=NO)C1=CC=CC=C1 CNP0122227.0 [0,1,0,0,0,1|1,0,1]=4 98 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 CNP0127742.0 [0,1,0,0,0,1|2,0,0]=4 99 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 CNP0463813.0 [0,1,0,0,0,1|2,0,0]=4 100 B13R1.47 CCNC(C)C(=O)C1=CC=CC=C1 CNP0523333.0 [0,1,0,0,0,1|2,0,0]=4 101 B13R1.674 CCCCC(=O)C1=CC=CC=C1O CNP0481328.0 [0,1,0,0,0,1|1,0,0]=3 102 B13R1.674 CCCOC(=O)C1=CC=CC=C1O CNP0611678.0 [0,1,0,0,0,1|2,0,0]=4 103 B13R1.33 CCOC(=O)CC(=O)C1=CC=CO1 CNP0520871.0 [0,2,0,0,0,0|0,0,1]=3 104 B13R1.83 CCC(=O)C(C)C(=O)C1=CC=CN1 CNP0544962.0 [0,2,0,0,0,0|1,0,1]=4 105 B13R1.339 CC(C)C(O)CC(=O)C1=COC=C1 CNP0609661.0 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.339 CC(C)[C@H](O)CC(=O)C1=COC=C1 CNP0609661.1 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.339 N[C@@H](CC(=O)C1=CC=CO1)C(=O)O CNP0312908.1 [0,2,0,0,0,0|1,0,1]=4 108 B13R1.23 CCSCCC(=O)C1=CC=C(S1)Br CNP0040649.0 [0,2,0,0,0,0|0,1,0]=3 109 B13R1.679 CCCC[C@H](O)C1=CC=C(O1)C=O CNP0526675.1 [0,2,0,0,0,0|0,0,2]=4 110 B13R1.48 CCCCCCC(=O)C1=CC=CS1 CNP0123160.0 [0,2,0,0,0,0|0,1,0]=3 111 B13R1.342 CN(C)CCOC(=O)C1=CC=CO1 CNP0371282.0 [0,2,0,0,0,0|1,0,0]=3 112 B11R1.13 CCCC1=CC=CC(=C1O)O CNP0519779.0 [0,0,1,1,0,0|0,0,2]=4 113 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,0,1,1,0,0|2,0,0]=4 114 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,0,1,1,0,0|1,0,0]=3 115 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,0,1,1,0,0|2,0,0]=4 116 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,0,1,1,0,0|2,0,0]=4 117 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,0,1,1,0,0|2,0,0]=4 118 B11R1.976 CCC1=C(C(=O)C[C@@H]1CC)O CNP0259342.1 [0,0,1,1,0,0|0,0,2]=4 119 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [0,0,1,1,0,0|1,0,0]=3 120 B11R1.24 OCCCC1=CC=CC(=C1)O CNP0550685.0 [0,0,1,1,0,0|2,0,0]=4 121 B11R1.28 CC=CC=CC1=NCCCC1 CNP0411181.0 [0,0,1,1,0,0|2,0,0]=4 122 B11R1.605 CCCC1=C(C=CC=C1O)C CNP0602938.0 [0,0,1,1,0,0|1,0,1]=4 123 B11R2.2 C1=C(CCC1)C2=CC=CO2 CNP0085898.0 [1,0,0,1,0,0|1,0,0]=3 124 B11R2.2 C1=COC(=C1)C2=NCCC2 CNP0401428.0 [1,0,0,1,0,0|1,0,0]=3 125 B11R2.2 C1=COC(=C1)C2CCCN2 CNP0261874.0 [1,0,0,1,0,0|1,0,1]=4 126 B11R2.106 O=C1CCSC2=C1SC=C2 CNP0047930.0 [1,0,0,1,0,0|1,1,0]=4 127 B13R2.3 C1=C(CCCC1)C2=CC=CC=C2 CNP0077019.0 [0,0,0,1,0,1|2,0,0]=4 128 B13R2.3 C1=CN=CC(=C1)C2=NCCCC2 CNP0270797.0 [0,0,0,1,0,1|2,0,0]=4 129 B13R2.371 O=C1CC[C@@H](C2=CC=CC=C12)O CNP0162052.1 [0,0,0,1,0,1|2,0,0]=4 130 B13R2.371 O=C1CC[C@H](C2=CC=CC=C12)O CNP0162052.2 [0,0,0,1,0,1|2,0,0]=4 131 B13R2.2931 COC1CC(=O)C2=CN=CC=C12 CNP0121639.0 [0,0,0,1,0,1|2,0,0]=4 132 B13R2.2931 O=C1C[C@@H](C2=CN=CC=C12)CO CNP0075844.2 [0,0,0,1,0,1|2,0,0]=4 133 B13R2.2931 O=C1C[C@H](C2=CN=CC=C12)CO CNP0075844.1 [0,0,0,1,0,1|2,0,0]=4 134 B13R2.3040 O=C1CCNC(=O)C2=C1C=CO2 CNP0018113.0 [0,1,0,1,0,0|1,0,1]=4 135 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 CNP0002493.0 [0,0,0,0,0,2|2,0,0]=4 136 B13R1.153 CCCCC(=O)OCC1=CC=CO1 CNP0202292.0 [0,0,0,0,0,2|0,0,0]=2 137 B13R1.153 CCCOC(=O)C=CC1=CC=CO1 CNP0319640.0 [0,0,0,0,0,2|1,0,0]=3