0 B15R1.138 CCC=CCCOC(=O)C1=CC=CC=C1 CNP0400380.0 [0,0,0,0,0,0|0,0,2]=2 1 B15R1.138 CCCC=CCOC(=O)C1=CC=CC=C1 CNP0126026.0 [0,0,0,0,0,0|0,0,2]=2 2 B15R1.138 CCCCC=COC(=O)C1=CC=CC=C1 CNP0376412.0 [0,0,0,0,0,0|0,0,2]=2 3 B15R1.138 CCCCCCOC(=O)C1=CC=CC=C1 CNP0217855.0 [0,0,0,0,0,0|0,0,0]=0 4 B15R1.138 NCCCCCNC(=O)C1=CC=CC=C1 CNP0122246.0 [0,0,0,0,0,0|2,0,0]=2 5 B15R1.138 NCCCCCOC(=O)C1=CC=CC=C1 CNP0611531.0 [0,0,0,0,0,0|1,0,0]=1 6 B15R1.138 O=C(OCCOCCO)C1=CC=CC=C1 CNP0225671.0 [0,0,0,0,0,0|2,0,0]=2 7 B14R1.38 CCCCCCC(=O)C1=CC=CC=N1 CNP0317762.0 [1,0,0,0,0,0|1,0,0]=2 8 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CNP0333667.0 [1,0,0,0,0,0|0,0,0]=1 9 B14R1.123 CCCCCCCCC1=CC=CN=C1 CNP0599221.0 [1,0,0,0,0,0|2,0,1]=4 10 B16R1.64 CCCCOCCOC(=O)C1=CC=CN=C1 CNP0600579.0 [0,1,0,0,0,0|1,0,0]=2 11 B16R1.91 CCCCC=COC(=O)C1=CC=C(C=C1)O CNP0447043.0 [0,1,0,0,0,0|0,0,2]=3 12 B16R1.91 CCCCCCCC(=O)C1=CC=C(C=C1)O CNP0044610.0 [0,1,0,0,0,0|1,0,0]=2 13 B16R1.91 CCCCCCOC(=O)C1=CC=C(C=C1)O CNP0058720.0 [0,1,0,0,0,0|0,0,0]=1 14 B16R1.92 CCCCCCOC(=O)C1=CC=CC(=C1)N CNP0025952.0 [0,1,0,0,0,0|0,0,0]=1 15 B16R1.641 CCCCCCC[C@H](CC)C1=CC=CC=C1 CNP0316753.1 [0,1,0,0,0,0|2,0,1]=4 16 B16R1.7596 CCC=CCCOC(=O)C1=CC=CC=C1N CNP0024271.0 [0,1,0,0,0,0|0,0,2]=3 17 B16R1.7596 CCC=CCCOC(=O)C1=CC=CC=C1O CNP0084845.0 [0,1,0,0,0,0|0,0,2]=3 18 B16R1.7596 CCCCCCOC(=O)C1=CC=CC=C1O CNP0084718.0 [0,1,0,0,0,0|0,0,0]=1 19 B16R2.88 CN(CC1CCCCC1)C2=CC=CC=C2 CNP0328899.0 [0,0,0,1,0,0|3,0,0]=4 20 B16R2.88 O=C(C[C@@H]1CCCCN1)C2=CC=CC=C2 CNP0548809.1 [0,0,0,1,0,0|2,0,0]=3 21 B16R2.88 O=C(NC1CCCCC1)C2=CC=CC=C2 CNP0324336.0 [0,0,0,1,0,0|1,0,0]=2 22 B16R2.88 O=C(NC1CCCCC1)C2=CC=CN=C2 CNP0071291.0 [0,0,0,1,0,0|2,0,0]=3 23 B16R2.3014 N[C@@H]1CSC[C@@H]1OC(=O)C2=CC=CC=C2 CNP0319170.2 [0,0,0,1,0,0|2,0,0]=3 24 B16R2.3014 O=C(N[C@@H]1CSC[C@@H]1O)C2=CC=CC=C2 CNP0374093.1 [0,0,0,1,0,0|3,0,0]=4 25 B16R2.5767 O=C(C=CN1CCCC1)C2=CC=CC=C2 CNP0051414.0 [0,0,0,1,0,0|2,0,1]=4 26 B16R2.6329 CCCCCC1OC(=O)C2=C1CCC=C2 CNP0609821.0 [0,0,0,1,0,0|0,0,2]=3 27 B14R1.169 CCCCCCCC(=O)C1=CC=CO1 CNP0373345.0 [0,0,0,0,1,0|2,0,0]=3 28 B14R1.169 CCCCCCOC(=O)C1=CC=CO1 CNP0002785.0 [0,0,0,0,1,0|1,0,0]=2 29 B16R1.693 CCC=CCCOC(=O)CC1=CC=CC=C1 CNP0222167.0 [0,0,0,0,0,1|0,0,2]=3 30 B16R1.693 CCCCCCOC(=O)CC1=CC=CC=C1 CNP0139443.0 [0,0,0,0,0,1|0,0,0]=1 31 B13R1.24 CC#CCCC(=O)C1=CC=CC=C1 CNP0333337.0 [2,0,0,0,0,0|0,0,2]=4 32 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 CNP0076659.0 [2,0,0,0,0,0|0,0,0]=2 33 B13R1.24 CCCCCC(O)C1=CC=CC=C1 CNP0356148.0 [2,0,0,0,0,0|0,0,2]=4 34 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 CNP0207399.0 [2,0,0,0,0,0|1,0,0]=3 35 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 CNP0250568.0 [2,0,0,0,0,0|0,0,0]=2 36 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 CNP0071070.0 [2,0,0,0,0,0|1,0,0]=3 37 B13R1.24 CCCCO[C@H](C)C1=CC=CC=C1 CNP0178892.1 [2,0,0,0,0,0|1,0,1]=4 38 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 CNP0204059.0 [2,0,0,0,0,0|2,0,0]=4 39 B13R1.24 N#CCCCC(=O)C1=CC=CC=C1 CNP0255387.0 [2,0,0,0,0,0|1,0,1]=4 40 B13R1.28 CCCCCCCC1=CC=CC=C1 CNP0084843.0 [2,0,0,0,0,0|0,0,1]=3 41 B13R1.28 CCCCCCCC1=CC=CC=N1 CNP0303732.0 [2,0,0,0,0,0|1,0,1]=4 42 B13R1.28 CCCCCCCC1=CC=CN=C1 CNP0003441.0 [2,0,0,0,0,0|1,0,1]=4 43 B13R1.28 OCCCCCCC1=CC=CC=C1 CNP0214808.0 [2,0,0,0,0,0|1,0,1]=4 44 B15R1.30 O=C(CCCCCBr)C1=CC=C(C=C1)Br CNP0145701.0 [1,1,0,0,0,0|1,0,0]=3 45 B15R1.31 CCCCCOC(=O)C1=CC=CC(=C1)N CNP0215417.0 [1,1,0,0,0,0|0,0,0]=2 46 B15R1.93 CCCCCC(=O)C(=O)C1=CC=CC=C1 CNP0483969.0 [1,1,0,0,0,0|0,0,1]=3 47 B15R1.497 CN(C)CCCOC(=O)C1=CC=CC=C1 CNP0046718.0 [1,1,0,0,0,0|1,0,0]=3 48 B15R1.959 CCC(=O)CCCC(=O)C1=CC=CC=C1 CNP0212147.0 [1,1,0,0,0,0|0,0,1]=3 49 B15R1.3965 CCCCCOC(=O)C1=CC=CC=C1Cl CNP0055636.0 [1,1,0,0,0,0|0,0,0]=2 50 B15R1.3965 CCCCCOC(=O)C1=CC=CC=C1O CNP0241972.0 [1,1,0,0,0,0|0,0,0]=2 51 B15R1.12 CCCCCCCCC1=CC=C(C=C1)O CNP0079823.0 [1,1,0,0,0,0|1,0,1]=4 52 B15R1.12 CCCCCCCOC1=CC=C(C=C1)O CNP0305639.0 [1,1,0,0,0,0|2,0,0]=4 53 B15R1.35 CCCCCNCC=CC1=CC=CC=C1 CNP0480398.0 [1,1,0,0,0,0|1,0,0]=3 54 B15R1.78 CCCCCC(=O)OCC1=CC=CC=C1 CNP0185938.0 [1,1,0,0,0,0|0,0,2]=4 55 B15R1.78 CCCCCC(O)C=CC1=CC=CC=C1 CNP0541967.0 [1,1,0,0,0,0|1,0,0]=3 56 B15R1.220 CCCCCCCCC1=CC=CC=C1O CNP0076827.0 [1,1,0,0,0,0|1,0,1]=4 57 B17R1.744 CCCCCCCC(=O)OC1=CC=C(C=C1)C CNP0002791.0 [0,1,0,0,0,1|1,0,0]=3 58 B17R1.744 CCCCCCNC(=O)CC1=CC=C(C=C1)C CNP0514511.0 [0,1,0,0,0,1|1,0,0]=3 59 B17R1.724 CCCCCC[C@H](C)OC(=O)C1=CC=CC=C1 CNP0179635.1 [0,2,0,0,0,0|0,0,0]=2 60 B17R1.39 CCCCCCCCC(=O)C1=CC=C(C=C1)O CNP0227218.0 [0,2,0,0,0,0|1,0,0]=3 61 B17R1.39 CCCCCCCOC(=O)C1=CC=C(C=C1)N CNP0381551.0 [0,2,0,0,0,0|0,0,0]=2 62 B17R1.39 CCCCCCCOC(=O)C1=CC=C(C=C1)O CNP0037464.0 [0,2,0,0,0,0|0,0,0]=2 63 B17R1.40 CCCCCCCOC(=O)C1=CC=CC(=C1)N CNP0029152.0 [0,2,0,0,0,0|0,0,0]=2 64 B17R1.679 N=C(N)SCCCCOC(=O)C1=CC=CC=C1 CNP0438317.0 [0,2,0,0,0,0|1,0,1]=4 65 B17R1.679 O=C(O)CCCCCNC(=O)C1=CC=CC=C1 CNP0454717.0 [0,2,0,0,0,0|1,0,1]=4 66 B17R1.754 CCCCCCCCOC(=O)C1=CC=CC=C1 CNP0121457.0 [0,2,0,0,0,0|0,0,0]=2 67 B17R1.956 CCCC(C)CCCOC(=O)C1=CC=CC=C1 CNP0434905.0 [0,2,0,0,0,0|0,0,0]=2 68 B17R1.1299 CCCCC[C@H](C)COC(=O)C1=CC=NC=C1 CNP0219867.1 [0,2,0,0,0,0|1,0,0]=3 69 B17R1.6947 CCCCCCCOC(=O)C1=CC=CC=C1Cl CNP0058010.0 [0,2,0,0,0,0|0,0,0]=2 70 B17R1.9256 CCCCCCNC(=O)C1=CC=C(C=C1)OC CNP0561304.0 [0,2,0,0,0,0|1,0,0]=3 71 B17R1.14339 CC(C)CNCCOC(=O)C1=CC=CC(=C1)N CNP0202028.0 [0,2,0,0,0,0|1,0,0]=3 72 B17R1.5201 CCCCCCCC(C(=O)O)C1=CC=CC=C1 CNP0086325.0 [0,2,0,0,0,0|1,0,1]=4 73 B17R1.4951 CCCCC(CC)COC(=O)C1=CC=CC=C1 CNP0127810.0 [0,2,0,0,0,0|0,0,0]=2 74 B17R1.4241 CCC[N+](C)(C)CCOC(=O)C1=CC=CC=C1 CNP0535065.0 [0,2,0,0,0,0|1,0,0]=3 75 B17R1.269097 CCCCCCCC(=O)C1=C(C=CC=C1O)O CNP0258964.0 [0,2,0,0,0,0|1,0,0]=3 76 B15R2.66 CCCN1CCC(=N1)C2=CC=CC=C2 CNP0468710.0 [1,0,0,1,0,0|2,0,0]=4 77 B15R2.1428 CCCC=C1OC(=O)C2=CC=CC=C12 CNP0279341.0 [1,0,0,1,0,0|0,0,2]=4 78 B15R2.1428 CCCC[C@@H]1OC(=O)C2=C1CCC=C2 CNP0290318.1 [1,0,0,1,0,0|0,0,2]=4 79 B15R2.1428 CCCC[C@@H]1OC(=O)C2=CC=CC=C12 CNP0239407.1 [1,0,0,1,0,0|0,0,0]=2 80 B15R2.1428 CCCC[C@H]1OC(=O)C2=C1CCC=C2 CNP0290318.2 [1,0,0,1,0,0|0,0,2]=4 81 B15R2.1428 CCCC[C@H]1OC(=O)C2=CC=CC=C12 CNP0239407.2 [1,0,0,1,0,0|0,0,0]=2 82 B15R2.1428 O=C1O[C@H](C2=CC=CC=C12)CCCO CNP0419299.1 [1,0,0,1,0,0|1,0,0]=3 83 B15R2.2226 O=C(C1=CC=CC=C1)N2CCCCC2 CNP0185237.0 [1,0,0,1,0,0|1,0,0]=3 84 B15R2.2226 O=C(C1=CC=CC=C1)N2CCOCC2 CNP0212941.0 [1,0,0,1,0,0|2,0,0]=4 85 B15R2.18471 CCCCC1CCCC2=CC=CC=C12 CNP0170231.0 [1,0,0,1,0,0|1,0,1]=4 86 B17R2.143 O=C(CC1=CC=CC=C1)NC2CCCCC2 CNP0071294.0 [0,0,0,1,0,1|1,0,0]=3 87 B17R2.143 O=C(NC1=CC=CC=C1)NC2CCCCC2 CNP0085148.0 [0,0,0,1,0,1|1,0,0]=3 88 B17R2.2569 CCCCCCCC1=NC2=CC=CC=C2S1 CNP0299654.0 [0,0,0,1,0,1|1,1,0]=4 89 B17R2.12072 CCCCCC1=CC(=O)C2=CC=CC=C2N1 CNP0515230.0 [0,1,0,1,0,0|1,0,1]=4 90 B17R2.2342 O=C(C=CN1CCCCC1)C2=CC=CC=C2 CNP0055297.0 [0,1,0,1,0,0|1,0,1]=4 91 B17R2.2342 O=C(NCC1CCCCC1)C2=CC=CN=C2 CNP0071123.0 [0,1,0,1,0,0|2,0,0]=4 92 B17R2.192 CC1=CC=C(C=C1)C(=O)NC2CCCCC2 CNP0071016.0 [0,1,0,1,0,0|1,0,0]=3 93 B17R2.78537 CN(C)CCC[C@@H]1OC(=O)C2=CC=CC=C12 CNP0301793.1 [0,1,0,1,0,0|1,0,0]=3 94 B17R3.20641 CN1CCC[C@]12NC(=O)C3=CC=CC=C23 CNP0223889.1 [0,0,0,2,0,0|2,0,0]=4 95 B17R3.20641 CN1CCC[C@]12OC(=O)C3=CC=CC=C23 CNP0314490.1 [0,0,0,2,0,0|1,0,0]=3 96 B17R3.35227 O=C1C2=CC=CC=C2C[C@@H]3N1CCCC3 CNP0109783.2 [0,0,0,2,0,0|1,0,0]=3 97 B17R3.35227 O=C1C2=CC=CC=C2C[C@H]3N1CCCC3 CNP0109783.1 [0,0,0,2,0,0|1,0,0]=3 98 B13R1.48 CCCCCCC(=O)C1=CC=CS1 CNP0123160.0 [1,0,0,0,1,0|1,0,0]=3 99 B17R1.1287 CCCCCCCC(=O)NCC1=CC=CC=C1 CNP0190516.0 [0,0,0,0,0,2|1,0,0]=3 100 B17R1.1287 CCCCCCCC(=O)OCC1=CC=CC=C1 CNP0586833.0 [0,0,0,0,0,2|1,0,0]=3 101 B17R1.1287 NCCCCCNC(=O)OCC1=CC=CC=C1 CNP0131043.0 [0,0,0,0,0,2|2,0,0]=4