0 B15R1.1081 CC(C)CCOC(=O)CC1=CC=CC=C1 CNP0279445.0 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.1081 CN(C)CCOC(=NC1=CC=CC=C1)S CNP0611501.0 [0,0,0,0,0,0|2,1,0]=3 2 B15R1.1081 CN(C)CCOC(=S)NC1=CC=CC=C1 CNP0416285.0 [0,0,0,0,0,0|2,1,0]=3 3 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 CNP0002492.0 [1,0,0,0,0,0|0,0,0]=1 4 B14R1.422 CC(C)CC=NCCC1=CC=CC=C1 CNP0534600.0 [1,0,0,0,0,0|1,0,2]=4 5 B14R1.422 CC(C)CCCCCC1=CC=CC=C1 CNP0525810.0 [1,0,0,0,0,0|1,0,1]=3 6 B14R1.422 CC(C)CCOCCC1=CC=CC=C1 CNP0002392.0 [1,0,0,0,0,0|0,0,1]=2 7 B16R2.4003 CC(C)CC=C1C(=O)NC2=CC=CC=C12 CNP0149578.0 [0,0,0,1,0,0|2,0,1]=4 8 B14R1.420 CC(=CCOC(=O)C1=CC=CC=C1)C CNP0611701.0 [0,0,0,0,1,0|0,0,2]=3 9 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 CNP0347277.0 [0,0,0,0,1,0|0,0,0]=1 10 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 CNP0453289.0 [0,0,0,0,1,0|1,0,0]=2 11 B14R1.423 CC(=NOC(=O)NC1=CC=CC=C1)C CNP0317497.0 [0,0,0,0,1,0|2,0,1]=4 12 B14R1.423 CC(C)CNC(=O)CC1=CC=CC=C1 CNP0428187.0 [0,0,0,0,1,0|1,0,0]=2 13 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 CNP0003033.0 [0,0,0,0,1,0|0,0,0]=1 14 B14R1.423 O=C(O)CCC(=O)CC1=CC=CC=C1 CNP0167736.0 [0,0,0,0,1,0|2,0,1]=4 15 B16R1.608 C=C(C)CCOC(=O)C=CC1=CC=CC=C1 CNP0192386.0 [0,0,0,0,0,1|0,0,3]=4 16 B16R1.608 CC(=CCOC(=O)C=CC1=CC=CC=C1)C CNP0304663.0 [0,0,0,0,0,1|0,0,3]=4 17 B16R1.608 CC(C)CCNC(=O)C=CC1=CC=CC=C1 CNP0486417.0 [0,0,0,0,0,1|1,0,1]=3 18 B16R1.608 CC(C)CCOC(=O)C=CC1=CC=CC=C1 CNP0002795.0 [0,0,0,0,0,1|0,0,1]=2 19 B16R1.608 CC(C)CCOC(=O)CCC1=CC=CC=C1 CNP0502390.0 [0,0,0,0,0,1|0,0,0]=1 20 B16R1.608 CN(C)CCOC(=O)C=CC1=CC=CC=C1 CNP0121597.0 [0,0,0,0,0,1|1,0,1]=3 21 B13R1.28 CCCCCCCC1=CC=CC=C1 CNP0084843.0 [2,0,0,0,0,0|1,0,1]=4 22 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 CNP0293196.0 [2,0,0,0,0,0|0,0,2]=4 23 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 CNP0002493.0 [2,0,0,0,0,0|0,0,0]=2 24 B15R1.83 CCCCCOC(=O)CC1=CC=CC=C1 CNP0179724.0 [1,1,0,0,0,0|0,0,0]=2 25 B15R1.93 CCCCCC(=O)C(=O)C1=CC=CC=C1 CNP0483969.0 [1,1,0,0,0,0|1,0,1]=4 26 B15R1.128 CCCCNC(=O)CC1=CC=C(C=C1)C CNP0572800.0 [1,1,0,0,0,0|1,0,0]=3 27 B15R1.964 CCC(C)CNC(=O)CC1=CC=CC=C1 CNP0432302.0 [1,1,0,0,0,0|1,0,0]=3 28 B15R1.964 O=C(CC1=CC=CC=C1)OC[C@@H](O)CO CNP0228786.1 [1,1,0,0,0,0|1,0,0]=3 29 B15R1.1035 CCCCCC(=CC1=CC=CC=C1)C=O CNP0243737.0 [1,1,0,0,0,0|1,0,1]=4 30 B15R1.1409 CCCCOC(=O)CC1=COC=CC1=O CNP0577362.0 [1,1,0,0,0,0|1,0,0]=3 31 B15R1.9084 CC(C)CC(=O)OCCC1=CC=CC=C1 CNP0350208.0 [1,1,0,0,0,0|0,0,2]=4 32 B15R1.882 C=C(CCCC(C)C)C1=CC=C(C=C1)C CNP0267186.0 [0,1,0,0,1,0|2,0,0]=4 33 B15R1.882 CC(=CCCC(C)C)C1=CC=C(C=C1)C CNP0203394.0 [0,1,0,0,1,0|2,0,0]=4 34 B15R1.959 CC(=CCOC(=O)C1=CC=CC=C1)CO CNP0383567.0 [0,1,0,0,1,0|0,0,2]=4 35 B15R1.8019 CC(C)CCOC(=O)C1=CC=CC=C1O CNP0415725.0 [0,1,0,0,1,0|0,0,0]=2 36 B15R1.9094 C[N+](C)(C)CCOC(=O)C1=CC=CC=C1 CNP0512984.0 [0,1,0,0,1,0|1,0,0]=3 37 B15R1.9094 C[N+](C)(C)CCOC(=O)C1=CC=CN=C1 CNP0593979.0 [0,1,0,0,1,0|2,0,0]=4 38 B15R1.111 CC1=CC=C(C=C1)CC(=O)NCC(C)C CNP0555376.0 [0,1,0,0,1,0|1,0,0]=3 39 B15R1.111 CC1=CC=C(C=C1)NC(=O)CCC(C)C CNP0023410.0 [0,1,0,0,1,0|1,0,0]=3 40 B17R1.1079 CN(C)CCOC(=O)COC1=CC=C(C=C1)Cl CNP0339121.0 [0,1,0,0,0,1|1,0,0]=3 41 B17R1.196 COC1=CC=C(C=C1)CC(=O)NCCC(C)C CNP0520529.0 [0,2,0,0,0,0|1,0,0]=3 42 B15R1.503 CC(C)CCOC(=O)CCC1=CC=CO1 CNP0277016.0 [0,0,1,1,0,0|1,0,1]=4 43 B15R2.64 O=C(NC1=CC=CC=C1)N2CCCC2 CNP0071020.0 [1,0,0,1,0,0|2,0,0]=4 44 B15R2.6 CC(C)CC[C@@H]1CCC2=CC=CC=C12 CNP0296315.1 [1,0,0,1,0,0|1,0,1]=4 45 B15R2.53147 CC(C)C=C1OC(=O)C2=CC=CC=C12 CNP0155304.0 [0,0,0,1,1,0|0,0,2]=4 46 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 CNP0076659.0 [1,0,0,0,1,0|1,0,0]=3 47 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 CNP0207399.0 [1,0,0,0,1,0|1,0,0]=3 48 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 CNP0250568.0 [1,0,0,0,1,0|0,0,0]=2 49 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 CNP0071070.0 [1,0,0,0,1,0|1,0,0]=3 50 B13R1.24 CCCCO[C@H](C)C1=CC=CC=C1 CNP0178892.1 [1,0,0,0,1,0|1,0,1]=4 51 B13R1.337 CC(C)CCN=CC1=CC=CC=C1 CNP0477012.0 [1,0,0,0,1,0|1,0,0]=3 52 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 CNP0127742.0 [0,0,0,0,2,0|0,0,0]=2 53 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 CNP0463813.0 [0,0,0,0,2,0|1,0,0]=3 54 B13R1.342 CN(C)CCOC(=O)C1=CC=CO1 CNP0371282.0 [0,0,0,0,2,0|2,0,0]=4 55 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 CNP0319392.0 [0,0,0,0,2,0|0,0,0]=2 56 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 CNP0003361.0 [0,0,0,0,2,0|0,0,2]=4 57 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 CNP0282252.0 [0,0,0,0,2,0|0,0,0]=2 58 B15R1.78 CCCCCC(=O)OCC1=CC=CC=C1 CNP0185938.0 [1,0,0,0,0,1|1,0,0]=3 59 B15R1.78 CCCCOC(=O)C=CC1=CC=CC=C1 CNP0358950.0 [1,0,0,0,0,1|0,0,1]=3 60 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 CNP0113027.0 [1,0,0,0,0,1|2,0,0]=4