0 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 CNP0122784.0 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CNP0080166.0 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.718 CCC(C)CCCC1=CC=CN=C1 CNP0571629.0 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.718 COC(=O)C=CNC1=CC=CC=C1 CNP0065304.0 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.718 COC(=O)CC=CC1=CC=CC=C1 CNP0207145.0 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [0,0,0,0,0,0|2,0,0]=2 6 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CNP0175539.0 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.718 OCN(O)CCCC1=CC=CC=C1 CNP0505008.0 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.8 CC=CC#CCC1=CC=CC=C1 CNP0266178.0 [1,0,0,0,0,0|1,0,2]=4 9 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [1,0,0,0,0,0|1,0,2]=4 10 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.8 CCCCCCC1=CC=CN=C1 CNP0002604.0 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.8 S=CC=NCCC1=CC=CC=C1 CNP0092045.0 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.8 S=CC=[N+]CCC1=CC=CC=C1 CNP0524152.0 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [1,0,0,0,0,0|1,0,0]=2 19 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [1,0,0,0,0,0|0,0,0]=1 20 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [1,0,0,0,0,0|3,0,0]=4 24 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [1,0,0,0,0,0|3,0,0]=4 25 B14R1.13 CCC(=O)OCCC1=CC=C(C=C1)O CNP0268748.0 [0,1,0,0,0,0|0,0,0]=1 26 B14R1.163 CCC(=O)OC[C@H](O)C1=CC=CC=C1 CNP0242418.1 [0,1,0,0,0,0|0,0,0]=1 27 B14R1.163 COC(=O)CC[C@H](O)C1=CC=CC=C1 CNP0285839.1 [0,1,0,0,0,0|2,0,0]=3 28 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 CNP0403031.0 [0,1,0,0,0,0|1,0,0]=2 29 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 CNP0079810.0 [0,1,0,0,0,0|0,0,0]=1 30 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 CNP0003357.0 [0,1,0,0,0,0|1,0,0]=2 31 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CNP0190638.0 [0,1,0,0,0,0|1,0,0]=2 32 B14R1.520 O=C(CCO)OCCC1=CC=CC=C1 CNP0118006.0 [0,1,0,0,0,0|0,0,0]=1 33 B14R1.756 COC(=O)[C@@H](C)CCC1=CC=CC=C1 CNP0179092.2 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 CNP0313908.1 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.756 COC(=O)[C@H](C)CCC1=CC=CC=C1 CNP0179092.1 [0,1,0,0,0,0|2,0,0]=3 36 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 CNP0313908.2 [0,1,0,0,0,0|3,0,0]=4 37 B14R1.756 CSC(=O)N(C)CCC1=CC=CC=C1 CNP0078296.0 [0,1,0,0,0,0|2,0,0]=3 38 B14R1.837 COC(=O)NCCC1=CC=CC=C1N CNP0030218.0 [0,1,0,0,0,0|2,0,0]=3 39 B14R1.6449 CC(C)C(=O)NCCC1=CC=CC=C1 CNP0103437.0 [0,1,0,0,0,0|1,0,0]=2 40 B14R1.6449 CC(C)C(=O)OCCC1=CC=CC=C1 CNP0142246.0 [0,1,0,0,0,0|0,0,0]=1 41 B14R1.6449 CC(O)C(=O)NC=CC1=CC=CC=C1 CNP0535102.0 [0,1,0,0,0,0|1,0,2]=4 42 B14R1.6449 CC(O)C(=O)OCCC1=CC=CC=C1 CNP0489052.0 [0,1,0,0,0,0|0,0,0]=1 43 B14R1.6449 O=C(O)C(=O)CCCC1=CC=CC=C1 CNP0593415.0 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.19 O=C1C=C(CO1)CC2=CC=CC=C2 CNP0220173.0 [0,0,0,1,0,0|2,0,1]=4 45 B14R2.19 O=C1CC[C@@H](N1)CC2=CC=CC=C2 CNP0343477.1 [0,0,0,1,0,0|1,0,0]=2 46 B14R2.19 O=C1CC[C@@H](O1)CC2=CC=CC=C2 CNP0280677.1 [0,0,0,1,0,0|0,0,0]=1 47 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 CNP0490847.1 [0,0,0,1,0,0|2,0,0]=3 48 B14R2.958 CNC(=O)[C@H]1O[C@@H]1C2=CC=CC=C2 CNP0208614.1 [0,0,0,1,0,0|3,0,0]=4 49 B14R2.4514 CC1C(=O)CCC1C2=CC=CC=C2 CNP0138853.0 [0,0,0,1,0,0|1,0,0]=2 50 B14R2.4514 CN1C(=O)CC[C@@H]1C2=CC=CN=C2 CNP0148535.2 [0,0,0,1,0,0|3,0,0]=4 51 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 CNP0148535.1 [0,0,0,1,0,0|3,0,0]=4 52 B14R2.4514 CN1C(=O)OC[C@@H]1C2=CC=CC=C2 CNP0331634.1 [0,0,0,1,0,0|1,0,0]=2 53 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,0,0,0,1,0|0,0,0]=1 54 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,0,0,0,1,0|2,0,0]=3 55 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,0,0,0,1,0|0,0,0]=1 56 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,0,0,0,1,0|1,0,1]=3 57 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,0,0,0,1,0|0,0,2]=3 58 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,0,0,0,1,0|1,0,2]=4 59 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,0,0,0,1,0|1,0,2]=4 60 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,0,0,0,1,0|1,0,0]=2 61 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,0,0,0,1,0|2,1,0]=4 62 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,0,0,0,1,0|1,0,0]=2 63 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,0,0,0,1,0|2,0,0]=3 64 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,0,0,0,1,0|2,0,0]=3 65 B14R1.716 CCC(=O)C=CCCC1=CC=CC=C1 CNP0331645.0 [0,0,0,0,0,1|1,0,0]=2 66 B14R1.716 CCC(=O)CCCCC1=CC=CC=C1 CNP0547588.0 [0,0,0,0,0,1|1,0,0]=2 67 B14R1.716 CCC(=O)OCC=CC1=CC=CC=C1 CNP0002421.0 [0,0,0,0,0,1|0,0,1]=2 68 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 CNP0147172.0 [0,0,0,0,0,1|0,0,0]=1 69 B14R1.716 CCC(O)CCCCC1=CC=CC=C1 CNP0576842.0 [0,0,0,0,0,1|1,0,2]=4 70 B11R0.3 C=CC=CC=CCCCCCC CNP0076022.0 [1,0,1,0,0,0|1,0,1]=4 71 B11R0.148 CCC=CC=CCCOC(=O)C CNP0192292.0 [1,0,1,0,0,0|0,0,2]=4 72 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [2,0,0,0,0,0|0,0,1]=3 73 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [2,0,0,0,0,0|1,0,1]=4 74 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [2,0,0,0,0,0|0,0,1]=3 76 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [2,0,0,0,0,0|1,0,1]=4 77 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [2,0,0,0,0,0|1,0,1]=4 78 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [2,0,0,0,0,0|1,0,1]=4 79 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [2,0,0,0,0,0|1,0,1]=4 80 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [2,0,0,0,0,0|1,0,0]=3 81 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [2,0,0,0,0,0|0,0,0]=2 82 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [2,0,0,0,0,0|1,0,1]=4 83 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [2,0,0,0,0,0|1,0,1]=4 84 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [2,0,0,0,0,0|0,0,0]=2 85 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [2,0,0,0,0,0|1,0,1]=4 86 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [2,0,0,0,0,0|2,0,0]=4 87 B13R1.9 CCCCCCC1=CC=C(C=C1)O CNP0504357.0 [1,1,0,0,0,0|1,0,1]=4 88 B13R1.24 CCCCCC(O)C1=CC=CC=C1 CNP0356148.0 [1,1,0,0,0,0|1,0,1]=4 89 B13R1.28 CCC=CCCCC1=CC=CC=N1 CNP0137989.0 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.28 CCCCCCCC1=CC=CC=C1 CNP0084843.0 [1,1,0,0,0,0|1,0,1]=4 91 B13R1.28 OCCCCCCC1=CC=CC=C1 CNP0214808.0 [1,1,0,0,0,0|1,0,1]=4 92 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [1,1,0,0,0,0|1,0,1]=4 93 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 CNP0002493.0 [1,1,0,0,0,0|0,0,2]=4 95 B13R1.337 CC(=O)C=CCCC1=CC=CC=C1 CNP0172070.0 [1,1,0,0,0,0|1,0,1]=4 96 B13R1.555 CCCCCCC1=CC=CC=C1C CNP0102963.0 [1,1,0,0,0,0|1,0,1]=4 97 B13R1.45 C=C(COC(=O)C)C1=CC=CC=C1 CNP0111069.0 [1,1,0,0,0,0|0,0,1]=3 98 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 CNP0232667.0 [1,1,0,0,0,0|1,0,1]=4 99 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 CNP0575044.0 [1,1,0,0,0,0|1,0,0]=3 100 B13R1.45 CC(=O)OC=C(C)C1=CC=CC=C1 CNP0052211.0 [1,1,0,0,0,0|0,0,2]=4 101 B13R1.45 C[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0372042.1 [1,1,0,0,0,0|2,0,0]=4 102 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.2 [1,1,0,0,0,0|2,0,0]=4 103 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.1 [1,1,0,0,0,0|2,0,0]=4 104 B13R1.45 O=C(O)CC[C@@H](O)C1=CC=CC=C1 CNP0303655.1 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.45 O=C(O)CC[C@H](O)C1=CC=CC=C1 CNP0303655.2 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.149 CC(=O)CCCC1=CC=CC(=O)O1 CNP0288902.0 [1,1,0,0,0,0|2,0,0]=4 107 B13R1.149 CC(=O)OCCC1=CC=CC(=C1)O CNP0581912.0 [1,1,0,0,0,0|0,0,0]=2 108 B13R1.158 CC(=O)NCCC1=CC=CC=C1O CNP0308942.0 [1,1,0,0,0,0|1,0,0]=3 109 B13R1.158 O=C(O)CCCC1=CC=CC=C1O CNP0277650.0 [1,1,0,0,0,0|2,0,0]=4 110 B13R1.348 CC(=O)C[C@H](O)CC1=CC=CC=C1 CNP0264298.1 [1,1,0,0,0,0|1,0,0]=3 111 B13R1.348 CC(=O)N[C@@H](C)CC1=CC=CC=C1 CNP0071012.2 [1,1,0,0,0,0|1,0,0]=3 112 B13R1.348 CC(=O)N[C@H](C)CC1=CC=CC=C1 CNP0071012.1 [1,1,0,0,0,0|1,0,0]=3 113 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CNP0238803.0 [1,1,0,0,0,0|2,0,0]=4 114 B13R1.351 CC(=O)[C@@H](N)CCC1=CC=CC=C1 CNP0565249.1 [1,1,0,0,0,0|1,0,0]=3 115 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.1 [1,1,0,0,0,0|2,0,0]=4 116 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.2 [1,1,0,0,0,0|2,0,0]=4 117 B13R1.513 CC(=O)CCOC1=CC=C(C=C1)O CNP0081116.0 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)O CNP0309556.0 [1,1,0,0,0,0|1,0,0]=3 119 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)O CNP0363419.0 [1,1,0,0,0,0|0,0,0]=2 120 B13R1.11 CCC(=O)NN(C)C1=CC=CC=C1 CNP0040741.0 [0,1,0,0,1,0|2,0,0]=4 121 B13R1.11 CCC(=O)O[C@H](C)C1=CC=CC=C1 CNP0247095.1 [0,1,0,0,1,0|0,0,0]=2 122 B13R1.11 CCC(O)CC(O)C1=CC=CC=C1 CNP0116597.0 [0,1,0,0,1,0|0,0,2]=4 123 B13R1.11 COC(=O)C[C@@H](C)C1=CC=CC=C1 CNP0391081.2 [0,1,0,0,1,0|1,0,0]=3 124 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CNP0474335.1 [0,1,0,0,1,0|1,0,0]=3 125 B13R1.11 COC(=O)C[C@@H](O)C1=CC=CC=C1 CNP0209133.2 [0,1,0,0,1,0|1,0,0]=3 126 B13R1.11 COC(=O)C[C@H](C)C1=CC=CC=C1 CNP0391081.1 [0,1,0,0,1,0|1,0,0]=3 127 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CNP0474335.2 [0,1,0,0,1,0|1,0,0]=3 128 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 CNP0209133.1 [0,1,0,0,1,0|1,0,0]=3 129 B13R1.14 CCC(=O)NNC1=CC=C(C=C1)Br CNP0033506.0 [0,1,0,0,1,0|2,0,0]=4 130 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [0,1,0,0,1,0|1,0,0]=3 131 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [0,1,0,0,1,0|1,0,0]=3 132 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [0,1,0,0,1,0|0,0,0]=2 133 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,1,0,0,1,0|1,0,1]=4 134 B13R1.135 COC(=O)[C@@H](C)NC1=CC=CC=C1 CNP0588654.2 [0,1,0,0,1,0|2,0,0]=4 135 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [0,1,0,0,1,0|1,0,0]=3 136 B13R1.135 COC(=O)[C@@H](N)OC1=CC=CC=C1 CNP0170775.1 [0,1,0,0,1,0|2,0,0]=4 137 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [0,1,0,0,1,0|1,0,0]=3 138 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 CNP0588654.1 [0,1,0,0,1,0|2,0,0]=4 139 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [0,1,0,0,1,0|1,0,0]=3 140 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [0,1,0,0,1,0|1,0,0]=3 141 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl CNP0508331.1 [0,1,0,0,1,0|1,0,0]=3 142 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)NI CNP0171534.1 [0,1,0,0,1,0|2,0,0]=4 143 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 CNP0003348.0 [0,1,0,0,1,0|0,0,2]=4 144 B13R1.417 CCN(CC)CCC1=CC=CC=C1 CNP0207277.0 [0,1,0,0,1,0|2,0,0]=4 145 B15R1.741 CCC(=O)C[C@H](O)CCC1=CC=CC=C1 CNP0272798.1 [0,1,0,0,0,1|1,0,0]=3 146 B15R1.741 CCC(C)OC(=O)CCC1=CC=CC=C1 CNP0493756.0 [0,1,0,0,0,1|1,0,1]=4 147 B15R1.778 CCCC(=O)OCC=CC1=CC=CC=C1 CNP0002420.0 [0,1,0,0,0,1|0,0,1]=3 148 B15R1.959 CCC(=O)CCCC(=O)C1=CC=CC=C1 CNP0212147.0 [0,1,0,0,0,1|1,0,0]=3 149 B15R1.1321 CC=C(C)C(=O)OCCC1=CC=CC=C1 CNP0081257.0 [0,1,0,0,0,1|1,0,1]=4 150 B15R1.1321 CCC(=O)C(=CNCC1=CC=CC=C1)C CNP0156580.0 [0,1,0,0,0,1|1,0,1]=4 151 B15R1.1321 CCC(C)C(=O)OCCC1=CC=CC=C1 CNP0079910.0 [0,1,0,0,0,1|1,0,1]=4 152 B15R1.1321 CNC(=O)C(=O)NCCC1=CC=CC=C1 CNP0588496.0 [0,1,0,0,0,1|2,0,0]=4 153 B15R1.3664 CC(C)C(=O)OCC=CC1=CC=CC=C1 CNP0002419.0 [0,1,0,0,0,1|0,0,1]=3 154 B15R1.3664 CC(C)C(=O)OCCCC1=CC=CC=C1 CNP0175627.0 [0,1,0,0,0,1|0,0,0]=2 155 B15R1.3664 CC(C)C(=O)OCCOC1=CC=CC=C1 CNP0002509.0 [0,1,0,0,0,1|0,0,0]=2 156 B15R1.112 C[C@@H](O)C(=O)OCCC1=CC=C(C=C1)O CNP0382473.1 [0,2,0,0,0,0|0,0,0]=2 157 B15R1.112 C[C@H](O)C(=O)OCCC1=CC=C(C=C1)O CNP0382473.2 [0,2,0,0,0,0|0,0,0]=2 158 B15R1.89 CCCC(=O)OCC(C)C1=CC=CC=C1 CNP0003069.0 [0,2,0,0,0,0|0,0,0]=2 159 B15R1.89 CCCC(=O)OC[C@H](O)C1=CC=CC=C1 CNP0018655.1 [0,2,0,0,0,0|0,0,0]=2 160 B15R1.500 CC(C)C(=O)OCC(C)C1=CC=CC=C1 CNP0003068.0 [0,2,0,0,0,0|0,0,0]=2 161 B15R1.950 C[C@@H](NC(=O)CN)[C@H](O)C1=CC=CC=C1 CNP0463418.1 [0,2,0,0,0,0|2,0,0]=4 162 B15R1.157 C=CCCC(=O)NCCC1=CC=CC=C1 CNP0521839.0 [0,2,0,0,0,0|1,0,0]=3 163 B15R1.157 CCCCC(=O)NCCC1=CC=CC=C1 CNP0564432.0 [0,2,0,0,0,0|1,0,0]=3 164 B15R1.157 CCCCC(=O)OCCC1=CC=CC=C1 CNP0003032.0 [0,2,0,0,0,0|0,0,0]=2 165 B15R1.157 CCCOC(C)OCCC1=CC=CC=C1 CNP0053733.0 [0,2,0,0,0,0|1,0,1]=4 166 B15R1.157 CSC=CC(=O)NCCC1=CC=CC=C1 CNP0546187.0 [0,2,0,0,0,0|1,0,1]=4 167 B15R1.157 CSC=CC(=O)OCCC1=CC=CC=C1 CNP0158618.0 [0,2,0,0,0,0|0,0,1]=3 168 B15R1.157 O=C(CCCO)OCCC1=CC=CC=C1 CNP0286415.0 [0,2,0,0,0,0|0,0,0]=2 169 B15R1.809 CCCC(=O)OC(C)CC1=CC=CC=C1 CNP0002894.0 [0,2,0,0,0,0|0,0,0]=2 170 B15R1.826 CCOC(=O)C(O)CCC1=CC=CC=C1 CNP0524257.0 [0,2,0,0,0,0|1,0,0]=3 171 B15R1.9084 CC(=CC(=O)NCCC1=CC=CC=C1)C CNP0350560.0 [0,2,0,0,0,0|1,0,1]=4 172 B15R1.9084 CC(=CC(=O)OCCC1=CC=CC=C1)C CNP0103341.0 [0,2,0,0,0,0|0,0,1]=3 173 B15R1.9084 CC(C)CC(=O)NCCC1=CC=CC=C1 CNP0172321.0 [0,2,0,0,0,0|1,0,0]=3 174 B15R1.9084 CC(C)CC(=O)OCCC1=CC=CC=C1 CNP0350208.0 [0,2,0,0,0,0|0,0,0]=2 175 B15R1.9084 CC(O)CC(=O)NCCC1=CC=CC=C1 CNP0408094.0 [0,2,0,0,0,0|1,0,0]=3 176 B15R1.9084 CC(O)CC(=O)NOCC1=CC=CC=C1 CNP0071182.0 [0,2,0,0,0,0|2,0,0]=4 177 B15R1.9084 NC(=O)CC(=O)NCCC1=CC=CC=C1 CNP0117082.0 [0,2,0,0,0,0|1,0,1]=4 178 B15R1.966 CCC(=O)N[C@@H](CC)CC1=CC=CC=C1 CNP0047181.2 [0,2,0,0,0,0|1,0,0]=3 179 B15R1.966 CCC(=O)N[C@H](CC)CC1=CC=CC=C1 CNP0047181.1 [0,2,0,0,0,0|1,0,0]=3 180 B15R1.3675 C[C@H](N)C(=O)NC(=O)CC1=CC=CC=C1 CNP0207061.1 [0,2,0,0,0,0|1,0,1]=4 181 B15R1.9095 CC(C)(C)C(=O)NNCC1=CC=CC=C1 CNP0180788.0 [0,2,0,0,0,0|2,0,0]=4 182 B15R1.9095 CC(C)(C)C(=O)OCCC1=CC=CC=C1 CNP0590546.0 [0,2,0,0,0,0|0,0,0]=2 183 B13R1.27 C=CC/C=C/CC[C@@H]1CCC(=O)O1 CNP0295277.1 [0,0,1,1,0,0|0,0,2]=4 184 B13R2.3 C1=CC=C(C=C1)C2CCCCC2 CNP0320256.0 [1,0,0,1,0,0|1,0,1]=4 185 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 CNP0501853.0 [1,0,0,1,0,0|1,0,1]=4 186 B13R2.1028 CCCC[C@@H]1CC2=CC=CC=C12 CNP0172495.2 [1,0,0,1,0,0|1,0,1]=4 187 B13R2.1028 CCCC[C@H]1CC2=CC=CC=C12 CNP0172495.1 [1,0,0,1,0,0|1,0,1]=4 188 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 CNP0352665.0 [1,0,0,1,0,0|0,0,2]=4 189 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [1,0,0,1,0,0|2,0,0]=4 190 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [1,0,0,1,0,0|2,0,0]=4 191 B13R2.31 O=C1C[C@H](N1)SC2=CC=CC=C2 CNP0064455.1 [1,0,0,1,0,0|2,0,0]=4 192 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.4 [1,0,0,1,0,0|2,0,0]=4 193 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.1 [1,0,0,1,0,0|2,0,0]=4 194 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.3 [1,0,0,1,0,0|2,0,0]=4 195 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.2 [1,0,0,1,0,0|2,0,0]=4 196 B13R2.5881 CC(=O)C=C1CC2=CC=CC=C12 CNP0132730.0 [1,0,0,1,0,0|1,0,1]=4 197 B13R2.5881 CC(=O)N[C@@H]1CC2=CC=CC=C12 CNP0067507.2 [1,0,0,1,0,0|1,0,0]=3 198 B13R2.5881 CC(=O)N[C@H]1CC2=CC=CC=C12 CNP0067507.1 [1,0,0,1,0,0|1,0,0]=3 199 B13R2.5881 CC(=O)O[C@@H]1CC2=CC=CC=C12 CNP0044409.1 [1,0,0,1,0,0|0,0,0]=2 200 B13R2.5881 CC(=O)O[C@H]1CC2=CC=CC=C12 CNP0044409.2 [1,0,0,1,0,0|0,0,0]=2 201 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CNP0327972.0 [0,0,0,1,1,0|0,0,0]=2 202 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,0,0,1,1,0|1,0,0]=3 203 B15R2.4 CCC(=O)NN1CCC2=CC=CC=C12 CNP0092770.0 [0,0,0,1,0,1|1,0,0]=3 204 B15R2.29 O=C1CCN(CC1)CC2=CC=CC=C2 CNP0071240.0 [0,0,0,1,0,1|1,0,0]=3 205 B15R2.98 O=C1CCC(O1)CC2=CC=C(C=C2)O CNP0274138.0 [0,1,0,1,0,0|0,0,0]=2 206 B15R2.297 O=C1CC[C@H](O1)C(=O)C2=CC=CC=C2 CNP0128247.1 [0,1,0,1,0,0|0,0,1]=3 207 B15R2.297 O=C1CC[C@H](O1)[C@@H](O)C2=CC=CC=C2 CNP0402320.1 [0,1,0,1,0,0|0,0,0]=2 208 B15R2.297 O[C@@H](C1=CC=CC=C1)[C@@H]2CCC(=P)O2 CNP0073917.1 [0,1,0,1,0,0|1,0,0]=3 209 B15R2.325 CC1=CC(=O)O[C@@H]1CC2=CC=NC=C2 CNP0394445.1 [0,1,0,1,0,0|1,0,1]=4 210 B15R2.325 CC1=CC(=O)O[C@H]1CC2=CC=NC=C2 CNP0394445.2 [0,1,0,1,0,0|1,0,1]=4 211 B15R2.325 O=C1C[C@@H]([C@@H](N1)CC2=CC=CC=C2)O CNP0265893.1 [0,1,0,1,0,0|1,0,0]=3 212 B15R2.325 O=C1C[C@H]([C@H](N1)CC2=CC=CC=C2)O CNP0265893.2 [0,1,0,1,0,0|1,0,0]=3 213 B15R2.389 CC1NC(=O)COC1C2=CC=CC=C2 CNP0533706.0 [0,1,0,1,0,0|2,0,0]=4 214 B15R2.1342 CCOC(=O)C1OC1C2=CC=CC=C2 CNP0003356.0 [0,1,0,1,0,0|2,0,0]=4 215 B15R2.1342 CCOC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0406892.4 [0,1,0,1,0,0|1,0,0]=3 216 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0406892.2 [0,1,0,1,0,0|1,0,0]=3 217 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0406892.3 [0,1,0,1,0,0|1,0,0]=3 218 B15R2.1342 CCOC(=O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0406892.1 [0,1,0,1,0,0|1,0,0]=3 219 B15R2.314 CC1OC(OC1C)CC2=CC=CC=C2 CNP0360812.0 [0,1,0,1,0,0|1,0,1]=4 220 B15R2.314 O=C1O[C@@H](C[C@@H]1O)CC2=CC=CC=C2 CNP0357970.3 [0,1,0,1,0,0|0,0,0]=2 221 B15R2.314 O=C1O[C@@H](C[C@H]1O)CC2=CC=CC=C2 CNP0357970.1 [0,1,0,1,0,0|0,0,0]=2 222 B15R2.314 O=C1O[C@H](C[C@@H]1O)CC2=CC=CC=C2 CNP0357970.2 [0,1,0,1,0,0|0,0,0]=2 223 B15R2.1115 O=C1CC[C@@H](O1)CC2=CC=CC(=C2)O CNP0298256.1 [0,1,0,1,0,0|0,0,0]=2 224 B15R2.1115 O=C1CC[C@H](O1)CC2=CC=CC(=C2)O CNP0298256.2 [0,1,0,1,0,0|0,0,0]=2 225 B15R3.794 O=C1CCC2=CC=CC3=C2N1CC3 CNP0021291.0 [0,0,0,2,0,0|1,0,0]=3 226 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [1,0,0,0,1,0|1,0,1]=4 227 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,0,0,0,1,0|0,0,2]=4 228 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,0,0,0,1,0|0,0,0]=2 229 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [1,0,0,0,1,0|0,0,0]=2 230 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [1,0,0,0,1,0|1,0,0]=3 231 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [1,0,0,0,1,0|1,0,1]=4 232 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [1,0,0,0,1,0|2,0,0]=4 233 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [1,0,0,0,1,0|0,0,2]=4 234 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [1,0,0,0,1,0|1,0,0]=3 235 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [1,0,0,0,1,0|2,0,0]=4 236 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [1,0,0,0,1,0|2,0,0]=4 237 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [1,0,0,0,1,0|1,0,0]=3 238 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [1,0,0,0,1,0|1,0,0]=3 239 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [1,0,0,0,1,0|2,0,0]=4 240 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [1,0,0,0,1,0|2,0,0]=4 241 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [1,0,0,0,1,0|2,0,0]=4 242 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [1,0,0,0,1,0|2,0,0]=4 243 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [1,0,0,0,1,0|2,0,0]=4 244 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,0,0,0,2,0|1,0,0]=3 245 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [0,0,0,0,2,0|1,0,0]=3 246 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [0,0,0,0,2,0|1,1,0]=4 247 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,0,0,0,2,0|0,0,0]=2 248 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,0,0,0,2,0|1,0,0]=3 249 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,0,0,0,2,0|0,0,0]=2 250 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,0,0,0,2,0|1,0,1]=4 251 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,0,0,0,2,0|1,0,0]=3 252 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,0,0,0,2,0|1,0,0]=3 253 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,0,0,0,2,0|1,0,1]=4 254 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,0,0,0,2,0|2,0,0]=4 255 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,0,0,0,2,0|2,0,0]=4