0 B12R1.32 C=CCC(=O)NC1=CC=CC=C1 CNP0211229.0 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,0,0,0,0,0|1,0,2]=3 4 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.32 CCOC(=O)NC1=CC=CC=C1 CNP0116883.0 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.32 CCOC(=S)NC1=CC=CC=C1 CNP0226110.0 [0,0,0,0,0,0|1,1,0]=2 8 B12R1.32 CCSC(=NC1=CC=CC=C1)N CNP0557297.0 [0,0,0,0,0,0|2,1,0]=3 9 B12R1.32 CNNC(=O)CC1=CC=CC=C1 CNP0042437.0 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.28 CCC=CCC1=CC=CCC1 CNP0292833.0 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [1,0,0,0,0,0|0,0,1]=2 23 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [1,0,0,0,0,0|0,0,0]=1 30 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [1,0,0,0,0,0|0,0,0]=1 37 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [1,0,0,0,0,0|1,1,0]=3 38 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [1,0,0,0,0,0|1,0,1]=3 39 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [1,0,0,0,0,0|1,0,2]=4 46 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [1,0,0,0,0,0|1,0,2]=4 47 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [1,0,0,0,0,0|2,1,0]=4 48 B13R1.19 CC1=CC=C(C=C1)OC(=O)CCN CNP0457555.0 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.19 CCCC(=O)CC1=CC=C(C=C1)C CNP0277585.0 [0,1,0,0,0,0|1,0,0]=2 50 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O CNP0301144.0 [0,1,0,0,0,0|0,0,0]=1 51 B13R1.19 CCOC(=O)CN1C=CC(=N)C=C1 CNP0474320.0 [0,1,0,0,0,0|1,0,0]=2 52 B13R1.19 CCOC(=O)CN1C=CC(=[N])C=C1 CNP0605739.0 [0,1,0,0,0,0|1,0,0]=2 53 B13R1.19 CCOC(=S)NC1=CC=C(C=C1)O CNP0104345.0 [0,1,0,0,0,0|1,1,0]=3 54 B13R1.19 O=CNC(=O)CC1=CC=C(C=C1)O CNP0058327.0 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)O CNP0514800.0 [0,1,0,0,0,0|1,0,0]=2 56 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 CNP0293196.0 [0,1,0,0,0,0|0,0,1]=2 57 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 CNP0002493.0 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.44 [O-][S@+](CC1=CC=CC=C1)SCCO CNP0547452.1 [0,1,0,0,0,0|1,1,1]=4 59 B13R1.44 [O-][S@H+](CC1=CC=CC=C1)SCCO CNP0583200.1 [0,1,0,0,0,0|1,1,1]=4 60 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 CNP0318781.0 [0,1,0,0,0,0|0,0,1]=2 61 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 CNP0596138.0 [0,1,0,0,0,0|0,0,0]=1 62 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 CNP0145799.1 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.79 CSCC(=CC1=CC=CC=C1)C=O CNP0352550.0 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [0,1,0,0,0,0|1,0,2]=4 65 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 CNP0319392.0 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 CNP0003361.0 [0,1,0,0,0,0|1,0,2]=4 68 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 CNP0282252.0 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 CNP0191800.0 [0,1,0,0,0,0|2,0,1]=4 70 B13R1.470 CCOC(=O)CC1=CC=CC=C1O CNP0175356.0 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.470 CCOC(=O)C[N+]1=CC=CC=C1Br CNP0579716.0 [0,1,0,0,0,0|1,0,0]=2 72 B11R0.4 C=CCC=CCCC(=O)OCC CNP0209435.0 [0,0,1,0,0,0|0,0,2]=3 73 B11R0.4 CC=CC=CC=CC(=O)OCC CNP0412321.0 [0,0,1,0,0,0|0,0,2]=3 74 B13R2.15 O=C1CCC=C1C2=CC=CC=C2 CNP0587845.0 [0,0,0,1,0,0|1,0,2]=4 75 B13R2.26 CCSC1=NC2=CC=CC=C2S1 CNP0018019.0 [0,0,0,1,0,0|1,2,0]=4 76 B13R2.64 C1=CC=C(C=C1)CC2=CC=CO2 CNP0531812.0 [0,0,0,1,0,0|1,0,2]=4 77 B13R2.64 C1=CC=C(C=C1)CC2=NCCN2 CNP0133359.0 [0,0,0,1,0,0|2,0,0]=3 78 B13R2.64 C1=CC=C(C=C1)CC2=[NH+]CCN2 CNP0605683.0 [0,0,0,1,0,0|2,0,0]=3 79 B13R2.135 CC=C1C(=O)NC2=CC=CC=C12 CNP0115557.0 [0,0,0,1,0,0|2,0,1]=4 80 B13R2.135 CCN1C(=CC2=CC=CC=C12)O CNP0265807.0 [0,0,0,1,0,0|1,0,2]=4 81 B13R2.135 O=CC1C(=O)CC2=CC=CC=C12 CNP0532845.0 [0,0,0,1,0,0|2,0,1]=4 82 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 CNP0579434.0 [0,0,0,1,0,0|2,0,1]=4 83 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 CNP0027289.0 [0,0,0,1,0,0|2,0,1]=4 84 B13R2.328 C[C@@H]1NC(=O)CC2=CC=NC=C12 CNP0192183.1 [0,0,0,1,0,0|2,0,0]=3 85 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 CNP0028027.0 [0,0,0,1,0,0|2,0,1]=4 86 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [0,0,0,1,0,0|1,0,1]=3 87 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 CNP0149436.0 [0,0,0,1,0,0|2,0,1]=4 88 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CNP0468495.0 [0,0,0,1,0,0|2,0,1]=4 89 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,0,0,0,1,0|0,0,2]=3 90 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,0,0,0,1,0|1,0,0]=2 91 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,0,0,0,1,0|1,1,0]=3 92 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,0,0,0,1,0|0,0,0]=1 93 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,0,0,0,1,0|1,0,0]=2 94 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,0,0,0,1,0|1,0,0]=2 95 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,0,0,0,1,0|1,0,1]=3 96 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,0,0,0,1,0|2,0,0]=3 97 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,0,0,0,1,0|2,0,0]=3 98 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,0,0,0,1,0|2,0,1]=4 99 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 CNP0536203.0 [0,0,0,0,1,0|2,0,1]=4 100 B11R1.16 O=C(NCO)C1=CC=CN=C1 CNP0259715.0 [0,0,0,0,1,0|3,0,0]=4 101 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,0,0,0,1,0|2,0,1]=4 102 B11R1.30 CCOC(=O)CC1=CNC=N1 CNP0326437.0 [0,0,0,0,1,0|2,0,0]=3 103 B13R1.42 C=COC(=O)C=CC1=CC=CC=C1 CNP0604637.0 [0,0,0,0,0,1|0,0,3]=4 104 B13R1.42 CC#CC(=O)C=CC1=CC=CC=C1 CNP0236750.0 [0,0,0,0,0,1|1,0,2]=4 105 B13R1.42 CC=CC(=O)NNC1=CC=CC=C1 CNP0058334.0 [0,0,0,0,0,1|2,0,1]=4 106 B13R1.42 CC=CC(=O)OCC1=CC=CC=C1 CNP0605482.0 [0,0,0,0,0,1|1,0,1]=3 107 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [0,0,0,0,0,1|1,0,0]=2 108 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 CNP0167245.0 [0,0,0,0,0,1|2,0,0]=3 109 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 CNP0362696.0 [0,0,0,0,0,1|1,0,0]=2 110 B13R1.42 CCOC(=NCC1=CC=CC=C1)S CNP0609481.0 [0,0,0,0,0,1|0,1,0]=2 111 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 CNP0238965.0 [0,0,0,0,0,1|0,0,1]=2 112 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [0,0,0,0,0,1|0,0,0]=1 113 B13R1.42 CCOC(=S)NCC1=CC=CC=C1 CNP0330895.0 [0,0,0,0,0,1|0,1,0]=2 114 B13R1.42 O=C(C=CO)CCC1=CC=CC=C1 CNP0049810.0 [0,0,0,0,0,1|2,0,1]=4 115 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 CNP0062686.0 [0,0,0,0,0,1|2,0,0]=3 116 B13R1.42 O=C(CCO)CCC1=CC=CC=C1 CNP0150058.0 [0,0,0,0,0,1|2,0,0]=3 117 B10R0.71 C=CC=CC=CC=CCCC CNP0533650.0 [1,0,1,0,0,0|1,0,1]=4 118 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [1,0,1,0,0,0|1,0,0]=3 119 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [1,0,1,0,0,0|1,0,1]=4 120 B10R0.71 CCC=CCC=CC=CC=O CNP0218571.0 [1,0,1,0,0,0|2,0,0]=4 121 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [1,0,1,0,0,0|0,0,2]=4 122 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [1,0,1,0,0,0|0,0,2]=4 123 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [2,0,0,0,0,0|0,0,1]=3 124 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [2,0,0,0,0,0|0,0,1]=3 125 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [2,0,0,0,0,0|0,0,1]=3 126 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [2,0,0,0,0,0|1,0,1]=4 127 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [2,0,0,0,0,0|1,0,1]=4 128 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [2,0,0,0,0,0|1,0,1]=4 129 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [2,0,0,0,0,0|0,0,0]=2 130 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [2,0,0,0,0,0|0,1,0]=3 131 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [2,0,0,0,0,0|1,0,1]=4 132 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [2,0,0,0,0,0|0,0,1]=3 133 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [2,0,0,0,0,0|1,0,1]=4 134 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [2,0,0,0,0,0|1,0,1]=4 135 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [2,0,0,0,0,0|0,1,1]=4 136 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [2,0,0,0,0,0|1,1,0]=4 137 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [2,0,0,0,0,0|1,0,1]=4 138 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [2,0,0,0,0,0|1,0,1]=4 139 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [2,0,0,0,0,0|1,0,1]=4 140 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [2,0,0,0,0,0|1,0,1]=4 141 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [2,0,0,0,0,0|1,0,1]=4 142 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [2,0,0,0,0,0|1,1,0]=4 143 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [2,0,0,0,0,0|1,0,0]=3 145 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [2,0,0,0,0,0|1,0,1]=4 146 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [2,0,0,0,0,0|0,0,0]=2 148 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [2,0,0,0,0,0|1,0,0]=3 149 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [2,0,0,0,0,0|1,1,0]=4 152 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [2,0,0,0,0,0|1,0,1]=4 153 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [2,0,0,0,0,0|1,0,1]=4 155 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [2,0,0,0,0,0|1,0,1]=4 156 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [2,0,0,0,0,0|1,0,1]=4 157 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [2,0,0,0,0,0|1,0,1]=4 158 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [2,0,0,0,0,0|1,0,0]=3 163 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [2,0,0,0,0,0|1,0,0]=3 164 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [2,0,0,0,0,0|0,0,0]=2 165 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [2,0,0,0,0,0|1,0,0]=3 166 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [2,0,0,0,0,0|1,0,0]=3 167 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [1,1,0,0,0,0|1,0,1]=4 168 B12R1.8 CC#CC=CCC1=CC=CC=C1 CNP0173717.0 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.8 NCCCNCC1=CC=CC=C1 CNP0465061.0 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [1,1,0,0,0,0|1,0,1]=4 175 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.28 CCC=CCC1=CC=CC(=O)O1 CNP0355411.0 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [1,1,0,0,0,0|0,0,2]=4 182 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [1,1,0,0,0,0|0,0,1]=3 183 B12R1.34 CN=C(C)C(O)C1=CC=CC=C1 CNP0472629.0 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [1,1,0,0,0,0|0,0,1]=3 185 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 CNP0318507.2 [1,1,0,0,0,0|0,0,0]=2 186 B12R1.34 COC(=O)[C@@H](N)C1=CC=CN=C1 CNP0587073.1 [1,1,0,0,0,0|1,0,0]=3 187 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CNP0421747.1 [1,1,0,0,0,0|0,0,0]=2 188 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CNP0318507.1 [1,1,0,0,0,0|0,0,0]=2 189 B12R1.34 COC(=O)[C@H](N)C1=CC=CN=C1 CNP0587073.2 [1,1,0,0,0,0|1,0,0]=3 190 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 CNP0421747.2 [1,1,0,0,0,0|0,0,0]=2 191 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [1,1,0,0,0,0|0,0,1]=3 192 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [1,1,0,0,0,0|1,0,0]=3 194 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 CNP0267765.0 [1,1,0,0,0,0|1,0,0]=3 195 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 CNP0250069.0 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 CNP0348092.0 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.43 C[C@@H](Cl)C(=O)NC1=CC=CC=C1 CNP0267765.1 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [1,1,0,0,0,0|0,0,2]=4 200 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [1,1,0,0,0,0|1,0,1]=4 201 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [1,1,0,0,0,0|0,0,2]=4 202 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl CNP0422933.0 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [1,1,0,0,0,0|0,0,0]=2 206 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [1,1,0,0,0,0|0,0,0]=2 207 B12R1.49 COC(=O)CN1C=CC(=N)C=C1 CNP0442080.0 [1,1,0,0,0,0|1,0,0]=3 208 B12R1.49 COC(=O)CN1C=CC(=[N])C=C1 CNP0584765.0 [1,1,0,0,0,0|1,0,0]=3 209 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [1,1,0,0,0,0|0,0,1]=3 210 B12R1.118 COC(CC1=CC=CC=C1)OC CNP0268816.0 [1,1,0,0,0,0|0,0,2]=4 211 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 CNP0017641.0 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.371 COC(=O)CC1=CC=CC=C1O CNP0205970.0 [1,1,0,0,0,0|0,0,0]=2 213 B12R1.371 COC(=O)CC1=COC=CC1=O CNP0157606.0 [1,1,0,0,0,0|1,0,0]=3 214 B12R1.371 O=C(CO)NC1=CC=CC=C1O CNP0547732.0 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.3 CCO[C@H](C#N)C1=CC=CC=C1 CNP0140613.1 [0,1,0,0,1,0|1,0,1]=4 216 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [0,1,0,0,1,0|1,0,0]=3 217 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C CNP0077252.0 [0,1,0,0,1,0|0,0,0]=2 218 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N CNP0225761.0 [0,1,0,0,1,0|0,0,0]=2 219 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O CNP0179290.0 [0,1,0,0,1,0|0,0,0]=2 220 B12R1.16 COCC(=O)C1=CC=C(C=C1)O CNP0289032.0 [0,1,0,0,1,0|2,0,0]=4 221 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [0,1,0,0,1,0|2,0,0]=4 222 B12R1.16 [2H]C1=CC=C(C=C1)C(=O)OCC CNP0538660.0 [0,1,0,0,1,0|0,0,0]=2 223 B12R1.17 CCOC(=O)C1=CC=CC(=C1)Br CNP0225819.0 [0,1,0,0,1,0|0,0,0]=2 224 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C CNP0130932.0 [0,1,0,0,1,0|0,0,0]=2 225 B12R1.17 CCOC(=O)C1=CC=CC(=C1)N CNP0289316.0 [0,1,0,0,1,0|0,0,0]=2 226 B12R1.17 CCOC(=O)C1=CC=CC(=C1)O CNP0114890.0 [0,1,0,0,1,0|0,0,0]=2 227 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,1,0,0,1,0|1,0,1]=4 228 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,1,0,0,1,0|1,0,1]=4 229 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CNP0003326.0 [0,1,0,0,1,0|0,0,0]=2 230 B12R1.107 CN(C)CC(=O)C1=CC=CC=C1 CNP0183220.0 [0,1,0,0,1,0|2,0,0]=4 231 B12R1.308 CC1=CC=CC=C1C(=O)OC=O CNP0077020.0 [0,1,0,0,1,0|1,0,1]=4 232 B12R1.308 CCOC(=O)C1=CC=CC=C1N CNP0071170.0 [0,1,0,0,1,0|0,0,0]=2 233 B12R1.308 CCOC(=O)C1=CC=CC=C1O CNP0169358.0 [0,1,0,0,1,0|0,0,0]=2 234 B12R1.308 CCOC(=O)C1=CN=CC=C1C CNP0414274.0 [0,1,0,0,1,0|1,0,0]=3 235 B12R1.308 CCOC(=O)C1=CN=CC=C1N CNP0188449.0 [0,1,0,0,1,0|1,0,0]=3 236 B12R1.308 CCO[P@H](=O)C1=CC=CC=C1O CNP0454157.1 [0,1,0,0,1,0|1,0,0]=3 237 B12R1.308 NCCC(=O)C1=CC=CC=C1N CNP0017946.0 [0,1,0,0,1,0|2,0,0]=4 238 B12R1.31 CCOC(=O)C[C@H]1C=CC(=O)O1 CNP0177712.1 [0,1,0,0,1,0|1,0,1]=4 239 B14R1.29 CCCC(=O)NN(C)C1=CC=CC=C1 CNP0022032.0 [0,1,0,0,0,1|2,0,0]=4 240 B14R1.29 CCCC(=O)OC(C)C1=CC=CC=C1 CNP0002786.0 [0,1,0,0,0,1|1,0,0]=3 241 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CNP0238620.0 [0,1,0,0,0,1|0,0,0]=2 242 B14R1.29 COCC(=O)N[C@H](C)C1=CC=CC=C1 CNP0417882.1 [0,1,0,0,0,1|2,0,0]=4 243 B14R1.32 CCCC(=O)NNC1=CC=CC(=C1)Cl CNP0047837.0 [0,1,0,0,0,1|2,0,0]=4 244 B14R1.32 CCOC(=O)CSC1=CC=CC(=N1)Cl CNP0173697.0 [0,1,0,0,0,1|1,0,0]=3 245 B14R1.32 CCOC(=O)CSC1=CN=CC(=N1)Cl CNP0036798.0 [0,1,0,0,0,1|2,0,0]=4 246 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 CNP0350709.0 [0,1,0,0,0,1|0,0,0]=2 247 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 CNP0299874.0 [0,1,0,0,0,1|0,0,1]=3 248 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0259364.1 [0,1,0,0,0,1|0,0,0]=2 249 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0127852.1 [0,1,0,0,0,1|0,0,0]=2 250 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 CNP0240721.0 [0,1,0,0,0,1|0,0,2]=4 251 B14R1.156 C=CCOC(=O)COC1=CC=CC=C1 CNP0402399.0 [0,1,0,0,0,1|0,0,1]=3 252 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 CNP0222285.0 [0,1,0,0,0,1|1,0,0]=3 253 B14R1.156 CCCOC(=O)C=CC1=CC=CC=C1 CNP0077243.0 [0,1,0,0,0,1|0,0,1]=3 254 B14R1.156 CCCOC(=O)CCC1=CC=CC=C1 CNP0546590.0 [0,1,0,0,0,1|0,0,0]=2 255 B14R1.156 CSC=CC(=O)OCC1=CC=CC=C1 CNP0107090.0 [0,1,0,0,0,1|1,0,1]=4 256 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 CNP0036736.0 [0,1,0,0,0,1|1,0,0]=3 257 B14R1.156 O=C(C=CC1=CC=CC=C1)NCCO CNP0209791.0 [0,1,0,0,0,1|1,0,1]=4 258 B14R1.156 O=C(CCC1=CC=CC=C1)OCCO CNP0364264.0 [0,1,0,0,0,1|0,0,0]=2 259 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CNP0242577.0 [0,1,0,0,0,1|1,0,0]=3 260 B14R1.502 CCCC(=O)NNC1=CC=C(C=C1)C CNP0160302.0 [0,1,0,0,0,1|2,0,0]=4 261 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C CNP0157244.0 [0,1,0,0,0,1|0,0,1]=3 262 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)O CNP0246158.0 [0,1,0,0,0,1|0,0,1]=3 263 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O CNP0586111.0 [0,1,0,0,0,1|0,0,0]=2 264 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Br CNP0190106.0 [0,1,0,0,0,1|0,0,0]=2 265 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)C CNP0052927.0 [0,1,0,0,0,1|0,0,0]=2 266 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl CNP0111422.0 [0,1,0,0,0,1|0,0,0]=2 267 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1C CNP0298915.0 [0,1,0,0,0,1|0,0,1]=3 268 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1N CNP0070575.0 [0,1,0,0,0,1|0,0,1]=3 269 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1O CNP0145722.0 [0,1,0,0,0,1|0,0,1]=3 270 B14R1.598 CCOC(=O)CCC1=CC=CC=C1O CNP0147042.0 [0,1,0,0,0,1|0,0,0]=2 271 B14R1.598 CCOC(=O)COC1=CC=CC=C1Cl CNP0301851.0 [0,1,0,0,0,1|0,0,0]=2 272 B14R1.756 CC=C(C)C(=O)OCC1=CC=CC=C1 CNP0244771.0 [0,1,0,0,0,1|1,0,1]=4 273 B14R1.756 CC[C@@H](C)C(=O)OCC1=CC=CC=C1 CNP0174832.1 [0,1,0,0,0,1|1,0,0]=3 274 B14R1.818 CC(=CC(=O)OCC1=CC=CC=C1)C CNP0329881.0 [0,1,0,0,0,1|1,0,1]=4 275 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 CNP0232463.0 [0,1,0,0,0,1|1,0,1]=4 276 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 CNP0227794.0 [0,1,0,0,0,1|1,0,0]=3 277 B14R1.818 CC(C)OC(=O)C=CC1=CC=CC=C1 CNP0180499.0 [0,1,0,0,0,1|0,0,1]=3 278 B14R1.818 CC(C)OC(=O)CCC1=CC=CC=C1 CNP0542232.0 [0,1,0,0,0,1|0,0,0]=2 279 B14R1.33 CC1=CC=C(C=C1)NC(=O)NCCO CNP0293021.0 [0,2,0,0,0,0|2,0,0]=4 280 B14R1.33 CCCCC(=O)OC1=CC=C(C=C1)Br CNP0379282.0 [0,2,0,0,0,0|2,0,0]=4 281 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)O CNP0219617.0 [0,2,0,0,0,0|0,0,1]=3 282 B14R1.35 CCOC(=O)[C@@H](N)C1=CC=C(C=C1)Cl CNP0548565.1 [0,2,0,0,0,0|0,0,0]=2 283 B14R1.35 CCOC(=O)[C@@H](O)C1=CC=C(C=C1)O CNP0217267.1 [0,2,0,0,0,0|0,0,0]=2 284 B14R1.35 CCOC(=O)[C@H](N)C1=CC=C(C=C1)Cl CNP0548565.2 [0,2,0,0,0,0|0,0,0]=2 285 B14R1.698 CC1=CC=C(C=C1)OC(=O)CC(C)C CNP0002792.0 [0,2,0,0,0,0|2,0,0]=4 286 B14R1.6823 CCOC(=O)CC1=CC=C(C=C1N)N CNP0067477.0 [0,2,0,0,0,0|0,0,0]=2 287 B14R1.6823 CCOC(=O)CC1=CC=C(C=C1O)O CNP0510727.0 [0,2,0,0,0,0|0,0,0]=2 288 B14R1.6823 CCOC(=O)NC1=CC=C(C=C1C)C CNP0033142.0 [0,2,0,0,0,0|1,0,0]=3 289 B14R1.19164 CCOC(=O)CC1(C=CC(=O)C=C1)O CNP0333432.0 [0,2,0,0,0,0|0,0,1]=3 290 B14R1.34 CC1=CC=CC(=C1)NC(=O)NCCO CNP0317553.0 [0,2,0,0,0,0|2,0,0]=4 291 B14R1.34 O=C(NC1=CC=CC(=C1)Cl)OCCCl CNP0069257.0 [0,2,0,0,0,0|1,0,0]=3 292 B14R1.36 CCOC(=O)C(O)C1=CC=CC(=C1)O CNP0533275.0 [0,2,0,0,0,0|0,0,0]=2 293 B14R1.950 CCOC(=O)CC1=CC(=CC=C1O)O CNP0400451.0 [0,2,0,0,0,0|0,0,0]=2 294 B14R1.5978 CC(C)OC(=O)NC1=CC=CC(=C1)Cl CNP0504266.0 [0,2,0,0,0,0|1,0,0]=3 295 B14R1.158 C=CCONC(=O)CC1=CC=CC=C1 CNP0071203.0 [0,2,0,0,0,0|0,0,1]=3 296 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 CNP0002492.0 [0,2,0,0,0,0|0,0,0]=2 297 B14R1.166 CCCCC(=O)C(=O)C1=CC=CC=C1 CNP0565444.0 [0,2,0,0,0,0|1,0,1]=4 298 B14R1.423 CC(=NOC(=O)NC1=CC=CC=C1)C CNP0317497.0 [0,2,0,0,0,0|1,0,1]=4 299 B14R1.423 CC(C)CNC(=O)CC1=CC=CC=C1 CNP0428187.0 [0,2,0,0,0,0|1,0,0]=3 300 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 CNP0003033.0 [0,2,0,0,0,0|0,0,0]=2 301 B14R1.423 O=C(O)CCC(=O)CC1=CC=CC=C1 CNP0167736.0 [0,2,0,0,0,0|1,0,1]=4 302 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 CNP0183978.0 [0,2,0,0,0,0|1,0,1]=4 303 B14R1.467 CCCCC(=CC1=CC=CC=C1)C=O CNP0012703.0 [0,2,0,0,0,0|1,0,1]=4 304 B14R1.510 CCOC(=O)[C@](C)(N)C1=CC=CC=C1 CNP0147920.1 [0,2,0,0,0,0|0,0,0]=2 305 B14R1.604 CCOC(=O)[C@H](OC)C1=CC=CC=C1 CNP0204637.1 [0,2,0,0,0,0|0,0,0]=2 306 B14R1.3348 CCOC(=O)C(=O)C1=CC=CC=C1O CNP0231949.0 [0,2,0,0,0,0|0,0,1]=3 307 B14R1.494 CCOC(CC1=CC=CC=C1)OCC CNP0002395.0 [0,2,0,0,0,0|0,0,2]=4 308 B14R1.6710 CCO[P@@](=O)(CCl)OC1=CC=CC=C1 CNP0046033.1 [0,2,0,0,0,0|2,0,0]=4 309 B14R1.6710 CCO[P@](=O)(CCl)OC1=CC=CC=C1 CNP0046033.2 [0,2,0,0,0,0|2,0,0]=4 310 B14R1.532 CCN(CC)C(=O)CC1=CC=CC=C1 CNP0242343.0 [0,2,0,0,0,0|1,0,0]=3 311 B12R1.51 CCOC(=O)C=CC1=CC=CO1 CNP0393898.0 [0,0,1,1,0,0|1,0,1]=4 312 B12R1.51 CCOC(=O)CCC1=CC=CO1 CNP0003158.0 [0,0,1,1,0,0|1,0,1]=4 313 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [1,0,0,1,0,0|2,0,0]=4 314 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [1,0,0,1,0,0|2,0,0]=4 315 B12R2.1081 CN1C=CCC2=CC=CC=C12 CNP0162060.0 [1,0,0,1,0,0|2,0,0]=4 316 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [1,0,0,1,0,0|1,0,1]=4 317 B12R2.18 CC1C(=O)OC2=CN=CC=C12 CNP0564077.0 [1,0,0,1,0,0|2,0,0]=4 318 B12R2.18 CN1C(=O)CC2=CC=CC=C12 CNP0182982.0 [1,0,0,1,0,0|1,0,0]=3 319 B12R2.18 CN1C(=O)OC2=CC=CC=C12 CNP0555396.0 [1,0,0,1,0,0|2,0,0]=4 320 B12R2.18 C[C@@H]1C(=NC2=CC=CC=C12)O CNP0479442.1 [1,0,0,1,0,0|1,0,1]=4 321 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [1,0,0,1,0,0|1,0,0]=3 322 B12R2.18 O=C1NC2=CC=CC=C2[C@@H]1O CNP0273186.1 [1,0,0,1,0,0|2,0,0]=4 323 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [1,0,0,1,0,0|2,0,0]=4 324 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [1,0,0,1,0,0|0,0,2]=4 325 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [1,0,0,1,0,0|0,0,0]=2 326 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [1,0,0,1,0,0|0,0,0]=2 327 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [1,0,0,1,0,0|1,0,0]=3 328 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [1,0,0,1,0,0|1,0,0]=3 329 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [1,0,0,1,0,0|2,0,0]=4 330 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [1,0,0,1,0,0|2,0,0]=4 331 B12R2.32 CCC1=NC2=CC=CC=C2N1 CNP0080017.0 [1,0,0,1,0,0|2,0,0]=4 332 B12R2.32 CCC1=NC2=CC=CC=C2S1 CNP0002561.0 [1,0,0,1,0,0|1,1,0]=4 333 B12R2.32 COC1=NC2=CC=CC=C2S1 CNP0023995.0 [1,0,0,1,0,0|1,1,0]=4 334 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,0,0,1,1,0|2,0,0]=4 335 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,0,0,1,1,0|1,0,0]=3 336 B12R2.2028 C[C@@H]1CC(=O)C2=CC=NC=C12 CNP0213370.1 [0,0,0,1,1,0|2,0,0]=4 337 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,0,0,1,1,0|2,0,0]=4 338 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,0,0,1,1,0|1,0,0]=3 339 B12R2.2028 C[C@H]1CC(=O)C2=CC=NC=C12 CNP0213370.2 [0,0,0,1,1,0|2,0,0]=4 340 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [0,0,0,1,1,0|1,0,1]=4 341 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,0,0,1,1,0|1,0,0]=3 342 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [0,0,0,1,1,0|1,0,0]=3 343 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [0,0,0,1,1,0|1,0,0]=3 344 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 CNP0172198.0 [0,0,0,1,1,0|1,0,0]=3 345 B14R2.15 CC[C@@H]1C(=O)N[C@@H]1C2=CC=CC=C2 CNP0065289.3 [0,0,0,1,0,1|1,0,0]=3 346 B14R2.15 CC[C@@H]1C(=O)N[C@H]1C2=CC=CC=C2 CNP0065289.1 [0,0,0,1,0,1|1,0,0]=3 347 B14R2.15 CC[C@H]1C(=O)N[C@@H]1C2=CC=CC=C2 CNP0065289.4 [0,0,0,1,0,1|1,0,0]=3 348 B14R2.15 CC[C@H]1C(=O)N[C@H]1C2=CC=CC=C2 CNP0065289.2 [0,0,0,1,0,1|1,0,0]=3 349 B14R2.21 O=C1CCN[C@H](C1)C2=CC=CC=C2 CNP0102925.1 [0,0,0,1,0,1|2,0,0]=4 350 B14R2.21 O=C1CCO[C@H](C1)C2=CC=CC=C2 CNP0112018.1 [0,0,0,1,0,1|2,0,0]=4 351 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 CNP0071140.0 [0,0,0,1,0,1|1,0,0]=3 352 B14R2.112 CCOC1=CC=C2C=CC=CC2=C1 CNP0003641.0 [0,0,0,1,0,1|1,0,1]=4 353 B14R2.598 CC1N=C(OC1C2=CC=CC=C2)N CNP0480991.0 [0,0,0,1,0,1|2,0,0]=4 354 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CNP0138800.2 [0,0,0,1,0,1|1,0,0]=3 355 B14R2.598 C[C@@H]1NC(=O)O[C@H]1C2=CC=CC=C2 CNP0138800.4 [0,0,0,1,0,1|1,0,0]=3 356 B14R2.598 C[C@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CNP0138800.3 [0,0,0,1,0,1|1,0,0]=3 357 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 CNP0138800.1 [0,0,0,1,0,1|1,0,0]=3 358 B14R2.598 O=C1C=C([C@@H](O1)O)C2=CC=CC=C2 CNP0314934.1 [0,0,0,1,0,1|1,0,1]=4 359 B14R2.29365 C[C@@H]1CC(=O)OC2=CC(=CC=C12)O CNP0069585.1 [0,1,0,1,0,0|2,0,0]=4 360 B14R2.29365 C[C@H]1CC(=O)OC2=CC(=CC=C12)O CNP0069585.2 [0,1,0,1,0,0|2,0,0]=4 361 B14R2.24 O=C1CCCC[C@@H]1C2=CC=CC=C2 CNP0389203.2 [0,1,0,1,0,0|1,0,0]=3 362 B14R2.24 O=C1CCCC[C@H]1C2=CC=CC=C2 CNP0389203.1 [0,1,0,1,0,0|1,0,0]=3 363 B14R2.517 NCC[C@@H]1C(=O)NC2=CC=CC=C12 CNP0362265.2 [0,1,0,1,0,0|2,0,0]=4 364 B14R2.517 NCC[C@H]1C(=O)NC2=CC=CC=C12 CNP0362265.1 [0,1,0,1,0,0|2,0,0]=4 365 B14R2.114 CC(C1=CC=CC=C1)C2OCCO2 CNP0583757.0 [0,1,0,1,0,0|0,0,2]=4 366 B14R2.296 O=C1CCCN1C2=CC=CC=C2O CNP0612017.0 [0,1,0,1,0,0|2,0,0]=4 367 B14R2.8045 CC1=CN=CC2=C1CC(=O)N[C@H]2C CNP0126429.1 [0,1,0,1,0,0|2,0,0]=4 368 B14R3.48 C1=CC=C2C(=C1)CC23OCCO3 CNP0044308.0 [0,0,0,2,0,0|0,0,2]=4 369 B14R3.697 O=C1OC2=CC=CC=C2[C@@H]3[C@H]1C3 CNP0028024.1 [0,0,0,2,0,0|2,0,0]=4 370 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [1,0,0,0,1,0|2,0,0]=4 371 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [1,0,0,0,1,0|0,0,2]=4 372 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,0,0,0,1,0|0,0,2]=4 373 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,0,0,0,1,0|1,0,1]=4 374 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,0,0,0,1,0|0,0,0]=2 375 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [1,0,0,0,1,0|1,0,0]=3 376 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,0,0,0,1,0|1,0,1]=4 377 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,0,0,0,1,0|1,0,1]=4 378 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,0,0,0,1,0|0,0,2]=4 379 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,0,0,0,1,0|1,0,1]=4 380 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,0,0,0,1,0|1,0,0]=3 381 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [1,0,0,0,1,0|2,0,0]=4 382 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,0,0,0,1,0|0,0,0]=2 383 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [1,0,0,0,1,0|1,0,0]=3 384 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [1,0,0,0,1,0|1,0,0]=3 385 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [1,0,0,0,1,0|2,0,0]=4 386 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,0,0,0,1,0|1,0,1]=4 387 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,0,0,0,1,0|0,1,0]=3 388 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [1,0,0,0,1,0|1,0,1]=4 389 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,0,0,0,1,0|1,0,0]=3 390 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [1,0,0,0,1,0|2,0,0]=4 391 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,0,0,0,1,0|1,0,0]=3 392 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,0,0,0,1,0|1,0,0]=3 393 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [1,0,0,0,1,0|2,0,0]=4 394 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,0,0,0,1,0|1,0,1]=4 395 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [1,0,0,0,1,0|1,0,0]=3 396 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [0,0,0,0,2,0|2,0,0]=4 397 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [0,0,0,0,2,0|2,0,0]=4 398 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [0,0,0,0,2,0|1,0,0]=3 399 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [0,0,0,0,2,0|1,0,0]=3 400 B10R1.11 CCOC(=O)C1=COC=C1 CNP0228529.0 [0,0,0,0,2,0|1,0,0]=3 401 B10R1.11 CCOC(=O)C1=NNC=C1 CNP0017794.0 [0,0,0,0,2,0|2,0,0]=4 402 B10R1.11 CCOC(=O)N1C=CN=C1 CNP0182750.0 [0,0,0,0,2,0|2,0,0]=4 403 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 CNP0403031.0 [0,0,0,0,0,2|1,0,0]=3 404 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 CNP0079810.0 [0,0,0,0,0,2|1,0,0]=3 405 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 CNP0003357.0 [0,0,0,0,0,2|0,0,0]=2 406 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CNP0190638.0 [0,0,0,0,0,2|0,0,0]=2 407 B14R1.520 O=C(CCO)OCCC1=CC=CC=C1 CNP0118006.0 [0,0,0,0,0,2|2,0,0]=4