0 B14R1.158 C=CCONC(=O)CC1=CC=CC=C1 CNP0071203.0 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 CNP0002492.0 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.28 CCCCCCCC1=CC=CC=C1 CNP0084843.0 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.28 CCCCCCCC1=CC=CC=N1 CNP0303732.0 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.28 CCCCCCCC1=CC=CN=C1 CNP0003441.0 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.28 OCCCCCCC1=CC=CC=C1 CNP0214808.0 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 CNP0293196.0 [1,0,0,0,0,0|0,0,2]=3 7 B13R1.44 CCCCC(O)OC1=CC=CC=C1 CNP0550126.0 [1,0,0,0,0,0|1,0,2]=4 8 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 CNP0002493.0 [1,0,0,0,0,0|0,0,0]=1 9 B15R1.83 CCCCCOC(=O)CC1=CC=CC=C1 CNP0179724.0 [0,1,0,0,0,0|0,0,0]=1 10 B15R1.93 CCCCCC(=O)C(=O)C1=CC=CC=C1 CNP0483969.0 [0,1,0,0,0,0|1,0,1]=3 11 B15R1.128 CCCCNC(=O)CC1=CC=C(C=C1)C CNP0572800.0 [0,1,0,0,0,0|1,0,0]=2 12 B15R1.809 CCCC(=O)OC(C)CC1=CC=CC=C1 CNP0002894.0 [0,1,0,0,0,0|1,0,2]=4 13 B15R1.964 CCC(C)CNC(=O)CC1=CC=CC=C1 CNP0432302.0 [0,1,0,0,0,0|1,0,0]=2 14 B15R1.964 O=C(CC1=CC=CC=C1)OC[C@@H](O)CO CNP0228786.1 [0,1,0,0,0,0|1,0,0]=2 15 B15R1.1035 CCCCCC(=CC1=CC=CC=C1)C=O CNP0243737.0 [0,1,0,0,0,0|1,0,1]=3 16 B15R1.1035 CCCCCC(=CC1=CC=CC=C1)CO CNP0068037.0 [0,1,0,0,0,0|1,0,2]=4 17 B15R1.1081 CC(C)CCOC(=O)CC1=CC=CC=C1 CNP0279445.0 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.1081 CN(C)CCOC(=NC1=CC=CC=C1)S CNP0611501.0 [0,1,0,0,0,0|2,1,0]=4 19 B15R1.1081 CN(C)CCOC(=S)NC1=CC=CC=C1 CNP0416285.0 [0,1,0,0,0,0|2,1,0]=4 20 B15R1.1409 CCCCOC(=O)CC1=COC=CC1=O CNP0577362.0 [0,1,0,0,0,0|1,0,0]=2 21 B15R1.1409 CCCCOC(=O)CC1=COCCC1=O CNP0353901.0 [0,1,0,0,0,0|1,0,2]=4 22 B15R2.15 OCC1COC(O1)CC2=CC=CC=C2 CNP0400754.0 [0,0,0,1,0,0|1,0,2]=4 23 B15R2.64 O=C(NC1=CC=CC=C1)N2CCCC2 CNP0071020.0 [0,0,0,1,0,0|2,0,0]=3 24 B15R2.2203 CCCCSC1=NC2=CC=CC=C2S1 CNP0018096.0 [0,0,0,1,0,0|1,2,0]=4 25 B13R1.24 CC#CCCC(=O)C1=CC=CC=C1 CNP0333337.0 [0,0,0,0,1,0|1,0,2]=4 26 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 CNP0076659.0 [0,0,0,0,1,0|1,0,0]=2 27 B13R1.24 CCCCCC(O)C1=CC=CC=C1 CNP0356148.0 [0,0,0,0,1,0|1,0,2]=4 28 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 CNP0207399.0 [0,0,0,0,1,0|1,0,0]=2 29 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 CNP0250568.0 [0,0,0,0,1,0|0,0,0]=1 30 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 CNP0071070.0 [0,0,0,0,1,0|1,0,0]=2 31 B13R1.24 CCCCO[C@H](C)C1=CC=CC=C1 CNP0178892.1 [0,0,0,0,1,0|1,0,1]=3 32 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 CNP0204059.0 [0,0,0,0,1,0|3,0,0]=4 33 B13R1.24 N#CCCCC(=O)C1=CC=CC=C1 CNP0255387.0 [0,0,0,0,1,0|2,0,1]=4 34 B15R1.78 CCCCCC(=O)OCC1=CC=CC=C1 CNP0185938.0 [0,0,0,0,0,1|1,0,0]=2 35 B15R1.78 CCCCOC(=O)C=CC1=CC=CC=C1 CNP0358950.0 [0,0,0,0,0,1|0,0,1]=2 36 B15R1.78 COCCOC(C)OCC1=CC=CC=C1 CNP0002860.0 [0,0,0,0,0,1|2,0,1]=4 37 B15R1.78 CSCCNC(=O)C=CC1=CC=CC=C1 CNP0304825.0 [0,0,0,0,0,1|2,0,1]=4 38 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 CNP0113027.0 [0,0,0,0,0,1|2,0,0]=3 39 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [2,0,0,0,0,0|0,0,1]=3 40 B12R1.8 CCCCCCC1=CC=CN=C1 CNP0002604.0 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [2,0,0,0,0,0|0,0,0]=2 42 B12R1.8 NCCCNCC1=CC=CC=C1 CNP0465061.0 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [2,0,0,0,0,0|0,0,0]=2 45 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [2,0,0,0,0,0|0,0,2]=4 47 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [2,0,0,0,0,0|1,0,0]=3 48 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [2,0,0,0,0,0|0,0,0]=2 49 B12R1.32 CCOC(=O)NC1=CC=CC=C1 CNP0116883.0 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.32 CCOC(=S)NC1=CC=CC=C1 CNP0226110.0 [2,0,0,0,0,0|1,1,0]=4 51 B12R1.32 CNNC(=O)CC1=CC=CC=C1 CNP0042437.0 [2,0,0,0,0,0|2,0,0]=4 52 B14R1.14 CCCCCCCC1=CC=C(C=C1)O CNP0506475.0 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 CNP0222285.0 [1,1,0,0,0,0|2,0,0]=4 54 B14R1.422 CC(C)CCCCCC1=CC=CC=C1 CNP0525810.0 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.422 CC(C)CCOCCC1=CC=CC=C1 CNP0002392.0 [1,1,0,0,0,0|0,0,1]=3 56 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 CNP0079810.0 [1,1,0,0,0,0|0,0,2]=4 57 B14R1.716 CCC(O)CCCCC1=CC=CC=C1 CNP0576842.0 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.33 CCCCC(=O)OC1=CC=C(C=C1)Br CNP0379282.0 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.34 O=C(NC1=CC=CC(=C1)Cl)OCCCl CNP0069257.0 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 CNP0350709.0 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.166 CCCCC(=O)C(=O)C1=CC=CC=C1 CNP0565444.0 [1,1,0,0,0,0|0,0,1]=3 62 B14R1.423 CC(C)CNC(=O)CC1=CC=CC=C1 CNP0428187.0 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 CNP0003033.0 [1,1,0,0,0,0|0,0,0]=2 64 B14R1.423 O=C(O)CCC(=O)CC1=CC=CC=C1 CNP0167736.0 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.467 CCCCC(=CC1=CC=CC=C1)C=O CNP0012703.0 [1,1,0,0,0,0|0,0,1]=3 66 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N CNP0165219.0 [0,1,0,0,1,0|0,0,0]=2 67 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O CNP0230608.0 [0,1,0,0,1,0|0,0,0]=2 68 B14R1.20 CCCCOC(=O)C1=CC=CC(=C1)N CNP0039335.0 [0,1,0,0,1,0|0,0,0]=2 69 B14R1.46 CCCCNS(=O)(=O)C1=CC=CC=C1 CNP0249531.0 [0,1,0,0,1,0|2,0,0]=4 70 B14R1.163 CCC(C)COC(=O)C1=CC=CC=C1 CNP0266732.0 [0,1,0,0,1,0|0,0,0]=2 71 B14R1.163 O=C(OC[C@@H](O)CO)C1=CC=CC=C1 CNP0362518.1 [0,1,0,0,1,0|1,0,0]=3 72 B14R1.163 O=C(OC[C@H](O)CO)C1=CC=CC=C1 CNP0362518.2 [0,1,0,0,1,0|1,0,0]=3 73 B14R1.420 CC(=CCOC(=O)C1=CC=CC=C1)C CNP0611701.0 [0,1,0,0,1,0|0,0,2]=4 74 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 CNP0347277.0 [0,1,0,0,1,0|0,0,0]=2 75 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 CNP0453289.0 [0,1,0,0,1,0|1,0,0]=3 76 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1Cl CNP0081712.0 [0,1,0,0,1,0|0,0,0]=2 77 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1N CNP0239590.0 [0,1,0,0,1,0|0,0,0]=2 78 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1O CNP0002458.0 [0,1,0,0,1,0|0,0,0]=2 79 B16R1.608 C=C(C)CCOC(=O)C=CC1=CC=CC=C1 CNP0192386.0 [0,1,0,0,0,1|0,0,2]=4 80 B16R1.608 CC(C)CCNC(=O)C=CC1=CC=CC=C1 CNP0486417.0 [0,1,0,0,0,1|1,0,1]=4 81 B16R1.608 CC(C)CCOC(=O)C=CC1=CC=CC=C1 CNP0002795.0 [0,1,0,0,0,1|0,0,1]=3 82 B16R1.608 CC(C)CCOC(=O)CCC1=CC=CC=C1 CNP0502390.0 [0,1,0,0,0,1|0,0,0]=2 83 B16R1.608 CN(C)CCOC(=O)C=CC1=CC=CC=C1 CNP0121597.0 [0,1,0,0,0,1|1,0,1]=4 84 B16R1.688 CCCCCNC(=O)C=CC1=CC=CC=C1 CNP0232825.0 [0,1,0,0,0,1|1,0,1]=4 85 B16R1.688 NCCCCNC(=O)C=CC1=CC=CC=C1 CNP0608679.0 [0,1,0,0,0,1|1,0,1]=4 86 B16R1.688 NCCCCNC(=O)OCC1=CC=CC=C1 CNP0250690.0 [0,1,0,0,0,1|1,0,0]=3 87 B16R1.1343 CCC(C)COC(=O)CCC1=CC=CC=C1 CNP0599490.0 [0,1,0,0,0,1|0,0,0]=2 88 B16R1.1516 CCCCC(C)C(=O)C=CC1=CC=CC=C1 CNP0076413.0 [0,1,0,0,0,1|1,0,1]=4 89 B16R1.1570 CCC[C@@H](C)NC(=O)CCC1=CC=CC=C1 CNP0563006.1 [0,1,0,0,0,1|1,0,0]=3 90 B16R1.1570 CCC[C@H](C)NC(=O)CCC1=CC=CC=C1 CNP0563006.2 [0,1,0,0,0,1|1,0,0]=3 91 B16R1.693 CCC=CCCOC(=O)CC1=CC=CC=C1 CNP0222167.0 [0,2,0,0,0,0|0,0,0]=2 92 B16R1.693 CCCCCCOC(=O)CC1=CC=CC=C1 CNP0139443.0 [0,2,0,0,0,0|0,0,0]=2 93 B16R1.1407 CCCCCCC(=CC1=CC=CC=C1)C=O CNP0311789.0 [0,2,0,0,0,0|1,0,1]=4 94 B16R1.1407 CCCCCCC(C=O)CC1=CC=CC=C1 CNP0538517.0 [0,2,0,0,0,0|1,0,1]=4 95 B16R1.22086 CCCCOC(=O)CC1(C=CC(=O)C=C1)O CNP0303379.0 [0,2,0,0,0,0|0,0,1]=3 96 B16R1.7379 CCCCOC(=O)CC1=CC(=CC=C1O)O CNP0119173.0 [0,2,0,0,0,0|0,0,0]=2 97 B14R1.4408 O=C1CC=CCC=CCCCCCO1 CNP0306105.0 [0,0,1,1,0,0|0,0,2]=4 98 B14R2.3 CCCCN1C=CC2=CC=CC=C12 CNP0206702.0 [1,0,0,1,0,0|1,0,1]=4 99 B14R2.30 O[C@H]1CCO[C@@H]1CC2=CC=CC=C2 CNP0353721.1 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.7150 CNC[C@@H]1OCCC2=CC=CC=C12 CNP0121024.1 [1,0,0,1,0,0|1,0,1]=4 101 B14R2.7150 CNC[C@H]1OCCC2=CC=CC=C12 CNP0121024.2 [1,0,0,1,0,0|1,0,1]=4 102 B14R2.67 CCCCC1=NC2=CC=CC=C2N1 CNP0232012.0 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.67 CCCCC1=NC2=CC=CC=C2S1 CNP0101033.0 [1,0,0,1,0,0|1,1,0]=4 104 B14R2.517 NCC[C@@H]1C(=O)NC2=CC=CC=C12 CNP0362265.2 [1,0,0,1,0,0|2,0,0]=4 105 B14R2.517 NCC[C@H]1C(=O)NC2=CC=CC=C12 CNP0362265.1 [1,0,0,1,0,0|2,0,0]=4 106 B14R2.510 CCC=C1OC(=O)C2=CC=CC=C12 CNP0003339.0 [0,0,0,1,1,0|0,0,2]=4 107 B16R2.69 O=C1CCCCCN1CC2=CC=CC=C2 CNP0083442.0 [0,0,0,1,0,1|1,0,0]=3 108 B16R2.2238 O=C(C=CC1=CC=CC=C1)N2CCCC2 CNP0192642.0 [0,0,0,1,0,1|1,0,1]=4 109 B16R2.2238 O=C(CCC1=CC=CC=C1)N2CCCC2 CNP0071126.0 [0,0,0,1,0,1|1,0,0]=3 110 B16R2.88 O=C(NC1=CC=CC=C1)C2CCCCC2 CNP0070994.0 [0,1,0,1,0,0|2,0,0]=4 111 B16R2.524 O=C(NC1=CC=CC=C1)OC2CSSC2 CNP0481657.0 [0,1,0,1,0,0|2,0,0]=4 112 B16R2.3312 O=C1CCCCNCC2=CC=CC=C2N1 CNP0509864.0 [0,1,0,1,0,0|2,0,0]=4 113 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [1,0,0,0,1,0|0,0,2]=4 114 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [1,0,0,0,1,0|0,0,2]=4 115 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [1,0,0,0,1,0|0,0,0]=2 116 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [1,0,0,0,1,0|0,0,2]=4 117 B12R1.30 CCCN=C(C)C1=CC=CC=C1 CNP0446142.0 [1,0,0,0,1,0|2,0,0]=4 118 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [1,0,0,0,1,0|1,0,0]=3 119 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [1,0,0,0,1,0|0,0,0]=2 120 B12R1.30 NCCCC(=O)C1=CC=CC=N1 CNP0319250.0 [1,0,0,0,1,0|2,0,0]=4 121 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [1,0,0,0,1,0|1,0,0]=3 122 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [1,0,0,0,1,0|2,0,0]=4 123 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [1,0,0,0,1,0|1,0,0]=3 124 B12R1.35 CCCCCC(=O)C1=CC=CO1 CNP0086014.0 [0,0,0,0,2,0|2,0,0]=4 125 B16R1.1694 CCCCCC(=O)NCCC1=CC=CC=C1 CNP0227748.0 [0,0,0,0,0,2|1,0,0]=3 126 B16R1.1694 CCCCCC(=O)OCCC1=CC=CC=C1 CNP0225563.0 [0,0,0,0,0,2|1,0,0]=3 127 B16R1.1694 CCCCOC(=O)NCCC1=CC=CC=C1 CNP0288242.0 [0,0,0,0,0,2|0,0,0]=2 128 B16R1.1694 CCCCOC(C)OCCC1=CC=CC=C1 CNP0002760.0 [0,0,0,0,0,2|1,0,1]=4 129 B16R1.1694 O=C(CCCCO)OCCC1=CC=CC=C1 CNP0202563.0 [0,0,0,0,0,2|2,0,0]=4