0 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [0,0,0,0,0,0|0,1,0]=1 4 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.21 CCCCCC1=NC=CS1 CNP0002560.0 [0,0,0,0,0,0|1,1,0]=2 7 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.12 CNCCC1=CN=CN1 CNP0485741.0 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.4 CCCCCCC1=CC=CN1 CNP0018367.0 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.4 CCCCCCC1=CC=CO1 CNP0305092.0 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.4 CCCCCCC1=CC=CS1 CNP0087331.0 [0,1,0,0,0,0|0,1,0]=2 23 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,1,0,0,0,0|0,0,1]=2 24 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.27 CC/C=C\C[C@@H]1C=CC(=O)O1 CNP0289992.1 [0,1,0,0,0,0|0,0,3]=4 27 B11R1.27 CC/C=C\C[C@H]1C=CC(=O)O1 CNP0289992.2 [0,1,0,0,0,0|0,0,3]=4 28 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,1,0,0,0,0|0,0,1]=2 29 B11R1.27 CCCCCC1=COC(=N1)C CNP0262620.0 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.27 CCCCCC1=NC(=CO1)C CNP0193931.0 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.27 CCCCCC1=NC(=CS1)C CNP0195745.0 [0,1,0,0,0,0|1,1,0]=3 32 B11R1.27 CCCCCC1=NC=C(S1)C CNP0237358.0 [0,1,0,0,0,0|1,1,0]=3 33 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,1,0,0,0,0|0,0,1]=2 34 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,1,0,0,0,0|0,0,3]=4 35 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,1,0,0,0,0|0,0,3]=4 36 B11R1.29 CCCCC(=O)C1=CC=CO1 CNP0002605.0 [0,1,0,0,0,0|0,0,1]=2 37 B11R1.29 CCCOC(=O)C1=CC=CO1 CNP0083141.0 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [0,1,0,0,0,0|0,0,1]=2 39 B11R1.172 CC(C)CN=CC1=CC=CO1 CNP0435049.0 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.172 O=C(O)CCCC1=CC=CS1 CNP0560045.0 [0,1,0,0,0,0|1,1,1]=4 41 B11R1.180 CCCCCC1=CCCC1=O CNP0080134.0 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [0,1,0,0,0,0|1,0,1]=3 44 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,0,1,0,0,0|0,0,2]=3 45 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [0,0,1,0,0,0|0,0,2]=3 46 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,0,1,0,0,0|1,0,0]=2 47 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,0,1,0,0,0|0,0,2]=3 48 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,0,1,0,0,0|1,0,2]=4 49 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,0,1,0,0,0|1,0,2]=4 50 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [0,0,1,0,0,0|1,0,1]=3 51 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [0,0,1,0,0,0|1,0,2]=4 52 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,0,1,0,0,0|1,0,1]=3 53 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [0,0,1,0,0,0|1,0,1]=3 54 B9R0.45 C=CCCCCCCCC CNP0330037.0 [0,0,1,0,0,0|1,0,2]=4 55 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [0,0,1,0,0,0|1,0,0]=2 56 B9R0.45 CCC=CCCCCCC CNP0223572.0 [0,0,1,0,0,0|1,0,2]=4 57 B9R0.45 CCCC=CCCCCC CNP0076954.0 [0,0,1,0,0,0|1,0,2]=4 58 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,0,1,0,0,0|0,0,2]=3 59 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [0,0,1,0,0,0|0,0,2]=3 60 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [0,0,1,0,0,0|0,0,2]=3 61 B9R0.45 CCCCCC=CCCO CNP0111850.0 [0,0,1,0,0,0|0,0,2]=3 62 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [0,0,1,0,0,0|0,0,2]=3 63 B9R0.45 CCCCCCC=CCO CNP0303395.0 [0,0,1,0,0,0|0,0,2]=3 64 B9R0.45 CCCCCCCC=CO CNP0085832.0 [0,0,1,0,0,0|0,0,2]=3 65 B9R0.45 CCCCCCCC=NO CNP0247046.0 [0,0,1,0,0,0|1,0,2]=4 66 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [0,0,1,0,0,0|1,0,2]=4 67 B9R0.50 C=CC(CCCCC)OO CNP0001521.0 [0,0,1,0,0,0|1,0,1]=3 68 B11R2.2 C1=C(CCC1)C2=CC=CO2 CNP0085898.0 [0,0,0,1,0,0|0,0,2]=3 69 B11R2.2 C1=COC(=C1)C2=NCCC2 CNP0401428.0 [0,0,0,1,0,0|1,0,1]=3 70 B11R2.2 C1=COC(=C1)C2CCCN2 CNP0261874.0 [0,0,0,1,0,0|1,0,0]=2 71 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,0,0,0,0,1|1,0,2]=4 72 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [0,0,0,0,0,1|1,0,2]=4 73 B11R1.28 CCC=CCC1=CC=CCC1 CNP0292833.0 [0,0,0,0,0,1|1,0,2]=4 74 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [0,0,0,0,0,1|1,0,2]=4 75 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [0,0,0,0,0,1|1,0,0]=2 76 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [0,0,0,0,0,1|1,0,0]=2 77 B11R1.28 CCCCCC1=CC=CCC1 CNP0611886.0 [0,0,0,0,0,1|1,0,0]=2 78 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [0,0,0,0,0,1|1,0,0]=2 79 B11R1.28 CCCCCC1=CCCCC1 CNP0080596.0 [0,0,0,0,0,1|1,0,2]=4 80 B11R1.28 CCCCCC1=CN=CC=N1 CNP0479793.0 [0,0,0,0,0,1|1,0,0]=2 81 B11R1.28 CCCCC[C@@H]1C=CC=CC1 CNP0281736.1 [0,0,0,0,0,1|1,0,1]=3 82 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [0,0,0,0,0,1|2,0,0]=3 83 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [0,0,0,0,0,1|2,0,0]=3 84 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [0,0,0,0,0,1|2,0,0]=3 85 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,0,0,0,0,1|2,0,0]=3 86 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [0,0,0,0,0,1|3,0,0]=4 87 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [0,0,0,0,0,1|2,0,0]=3 88 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [0,0,0,0,0,1|2,0,0]=3 89 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [1,0,1,0,0,0|0,0,2]=4 90 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,0,1,0,0,0|0,0,2]=4 91 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,1,0,0,0|0,0,0]=2 92 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,0,1,0,0,0|0,0,2]=4 93 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,0,1,0,0,0|0,0,2]=4 94 B8R0.4 CC=CC=CCCCO CNP0492923.0 [1,0,1,0,0,0|2,0,0]=4 95 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,1,0,0,0|0,0,2]=4 96 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,1,0,0,0|0,0,2]=4 97 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,1,0,0,0|0,0,2]=4 98 B8R0.4 CCCC=CC=CCO CNP0175481.0 [1,0,1,0,0,0|0,0,2]=4 99 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,0,1,0,0,0|0,0,2]=4 100 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,0,1,0,0,0|0,0,2]=4 101 B8R0.4 CCCCC=COC=O CNP0604660.0 [1,0,1,0,0,0|1,0,1]=4 102 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,0,1,0,0,0|0,0,1]=3 103 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,0,1,0,0,0|0,0,1]=3 104 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,1,0,0,0|0,0,1]=3 105 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,0,1,0,0,0|1,0,1]=4 106 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,1,0,0,0|1,0,1]=4 107 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [1,0,1,0,0,0|0,0,1]=3 108 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [1,0,1,0,0,0|1,0,1]=4 109 B8R0.6 C=CCCCC(=C)C=C CNP0546296.0 [1,0,1,0,0,0|0,0,2]=4 110 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [1,0,1,0,0,0|0,0,1]=3 111 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [1,0,1,0,0,0|0,0,1]=3 112 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,0,1,0,0,0|0,0,1]=3 113 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,0,1,0,0,0|1,0,1]=4 114 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [2,0,0,0,0,0|0,0,2]=4 115 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [2,0,0,0,0,0|0,0,2]=4 116 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [2,0,0,0,0,0|0,0,0]=2 117 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [2,0,0,0,0,0|0,1,0]=3 118 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [2,0,0,0,0,0|2,0,0]=4 119 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [2,0,0,0,0,0|1,0,0]=3 120 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [2,0,0,0,0,0|1,0,0]=3 121 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [2,0,0,0,0,0|1,0,1]=4 122 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [2,0,0,0,0,0|1,1,0]=4 123 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [0,1,1,0,0,0|0,0,2]=4 124 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [0,1,1,0,0,0|0,0,2]=4 125 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,1,1,0,0,0|1,0,0]=3 126 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [0,1,1,0,0,0|0,0,2]=4 127 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,1,1,0,0,0|0,0,2]=4 128 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [0,1,1,0,0,0|0,0,1]=3 129 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [0,1,1,0,0,0|0,0,2]=4 130 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [0,1,1,0,0,0|0,0,1]=3 131 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [0,1,1,0,0,0|0,0,1]=3 132 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [0,1,1,0,0,0|0,0,1]=3 133 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,1,1,0,0,0|0,0,2]=4 134 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,1,1,0,0,0|0,0,1]=3 135 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [0,1,1,0,0,0|1,0,1]=4 136 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,1,0,0,0|0,0,2]=4 137 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,1,1,0,0,0|0,0,2]=4 138 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,1,1,0,0,0|0,0,2]=4 139 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,1,1,0,0,0|0,0,1]=3 140 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,1,1,0,0,0|0,0,2]=4 141 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [0,1,1,0,0,0|1,0,0]=3 142 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [0,1,1,0,0,0|1,0,1]=4 143 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [0,1,1,0,0,0|1,0,1]=4 144 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [0,1,1,0,0,0|0,0,1]=3 145 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [0,1,1,0,0,0|0,0,0]=2 146 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [0,1,1,0,0,0|0,0,2]=4 147 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [0,1,1,0,0,0|0,0,2]=4 148 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [0,1,1,0,0,0|0,0,2]=4 149 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [0,1,1,0,0,0|0,0,2]=4 150 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [0,1,1,0,0,0|0,0,2]=4 151 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,1,1,0,0,0|1,0,1]=4 152 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,1,1,0,0,0|2,0,0]=4 153 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [1,1,0,0,0,0|0,0,1]=3 154 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [1,1,0,0,0,0|0,1,1]=4 155 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.16 CCCCC1=CC(=CO1)C CNP0574167.0 [1,1,0,0,0,0|0,0,0]=2 157 B10R1.16 CCCCC1=COC(=N1)C CNP0415020.0 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.16 CCCCC1=CSC(=N1)C CNP0262128.0 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.16 CCCCC1=NC(=CS1)C CNP0002532.0 [1,1,0,0,0,0|1,1,0]=4 160 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [1,1,0,0,0,0|0,0,1]=3 161 B10R1.29 CCCCC1=C(SC=N1)C CNP0218284.0 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.66 CC(C)CCC1=COC=C1 CNP0161976.0 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.66 CC(C)SCC1=CC=CO1 CNP0002931.0 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [0,1,0,0,0,1|1,0,0]=3 167 B12R1.1 CCCCCC1=COC(=O)C=C1 CNP0537996.0 [0,1,0,0,0,1|0,0,0]=2 168 B12R1.1 CCCCCN1C=CC(=N)C=C1 CNP0444738.0 [0,1,0,0,0,1|2,0,0]=4 169 B12R1.1 CCCCCN1C=CC(=[N])C=C1 CNP0587495.0 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.1 CCCCOC1=CC=C(C=C1)Br CNP0109333.0 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.1 CCCCOC1=CC=C(C=C1)N CNP0043525.0 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.1 CCCCOC1=CC=C(C=C1)O CNP0129863.0 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.1 CCCCSC1=CC=C(C=C1)C CNP0334221.0 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [0,1,0,0,0,1|2,0,0]=4 176 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [0,1,0,0,0,1|1,0,0]=3 177 B12R1.8 CCCCCCC1=CC=CN=C1 CNP0002604.0 [0,1,0,0,0,1|1,0,0]=3 178 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [0,1,0,0,0,1|1,0,0]=3 179 B12R1.8 NCCCNCC1=CC=CC=C1 CNP0465061.0 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [0,1,0,0,0,1|1,0,0]=3 181 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,1,0,0,0,1|1,0,1]=4 182 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,1,0,0,0,1|1,0,0]=3 183 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,1,0,0,0,1|1,0,0]=3 184 B12R1.28 CCC=CCC1=CC=CC(=O)O1 CNP0355411.0 [0,1,0,0,0,1|0,0,2]=4 185 B12R1.28 CCCC=CC1=CC=CC(=O)O1 CNP0322313.0 [0,1,0,0,0,1|0,0,2]=4 186 B12R1.28 CCCCCC1=CC=CC(=O)O1 CNP0184251.0 [0,1,0,0,0,1|0,0,0]=2 187 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,1,0,0,0,1|1,0,1]=4 188 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,1,0,0,0,1|0,0,1]=3 189 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,1,0,0,0,1|1,0,1]=4 190 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [0,1,0,0,0,1|1,0,1]=4 191 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [0,1,0,0,0,1|1,0,0]=3 192 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,1,0,0,0,1|1,0,1]=4 193 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,1,0,0,0,1|1,0,0]=3 194 B12R1.267 CCCCOC1=CC=CC=C1N CNP0241644.0 [0,1,0,0,0,1|2,0,0]=4 195 B12R1.7 CCCC#CC=C1C=CC(=O)O1 CNP0290336.0 [0,2,0,0,0,0|0,0,2]=4 196 B12R1.7 CCCC=C=C=C1C=CC(=O)O1 CNP0303188.0 [0,2,0,0,0,0|0,0,2]=4 197 B12R1.7 CCCC=CC=C1C=CC(=O)O1 CNP0415962.0 [0,2,0,0,0,0|0,0,2]=4 198 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [0,2,0,0,0,0|0,0,1]=3 199 B12R1.35 CCCCCC(=O)C1=CC=CO1 CNP0086014.0 [0,2,0,0,0,0|0,0,0]=2 200 B12R1.35 CCSCCC(=O)C1=CC=CS1 CNP0369340.0 [0,2,0,0,0,0|0,1,1]=4 201 B12R1.37 CCCCCCCC1=CC=CN1 CNP0033331.0 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.37 CCCCCCCC1=CC=CO1 CNP0285753.0 [0,2,0,0,0,0|0,0,0]=2 203 B12R1.51 CCCC(=O)OCC1=CC=CO1 CNP0002783.0 [0,2,0,0,0,0|0,0,1]=3 204 B12R1.51 CCOC(=O)CCC1=CC=CO1 CNP0003158.0 [0,2,0,0,0,0|0,0,1]=3 205 B12R1.51 CCOC(=O)SCC1=CC=CO1 CNP0352515.0 [0,2,0,0,0,0|1,0,1]=4 206 B12R1.255 CC(C)CCN=CC1=CC=CO1 CNP0434350.0 [0,2,0,0,0,0|0,0,1]=3 207 B12R1.477 CCC(C)CN=CC1=CC=CO1 CNP0429593.0 [0,2,0,0,0,0|0,0,1]=3 208 B12R1.105 CC(C)CCCC1=CC(=O)OC1 CNP0313975.0 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.455 C=CCCCC1=CC=C(O1)C=O CNP0187025.0 [0,2,0,0,0,0|0,0,2]=4 210 B12R1.455 CCCCCC1=CC=C(O1)C=O CNP0197928.0 [0,2,0,0,0,0|0,0,0]=2 211 B12R1.455 CCCCCC1=NC(=CS1)CC CNP0126161.0 [0,2,0,0,0,0|1,1,0]=4 212 B12R1.456 CCCCCC1=C(N=C(S1)C)C CNP0002539.0 [0,2,0,0,0,0|1,1,0]=4 213 B12R1.457 CCCCCC1=NC(=C(O1)C)C CNP0002739.0 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.457 CCCCCC1=NC(=C(S1)C)C CNP0387127.0 [0,2,0,0,0,0|1,1,0]=4 215 B12R1.527 CCCCCC1=C(C(=O)CC1)O CNP0260422.0 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.36 CCOCC(OC)C1=CC=CO1 CNP0577140.0 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.54 CC(O)CCC(O)C1=COC=C1 CNP0343942.0 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.890 CC(C)(O)CCCC1=COC=C1 CNP0611553.0 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.45 CCCCCC1=C(N=CO1)CC CNP0002749.0 [0,2,0,0,0,0|1,0,0]=3 220 B12R1.45 CCCCCN1C=CC=C1C=O CNP0230031.0 [0,2,0,0,0,0|2,0,0]=4 221 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [0,0,1,1,0,0|0,0,2]=4 222 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,0,1,1,0,0|0,0,2]=4 223 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,0,1,1,0,0|1,0,1]=4 224 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,0,1,1,0,0|1,0,1]=4 225 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,0,1,1,0,0|1,0,1]=4 226 B12R2.2 C1=CN=CC(=C1)[C@@H]2CCCN2 CNP0110438.2 [0,0,0,1,0,1|2,0,0]=4 227 B12R2.2 C1=CN=CC(=C1)[C@H]2CCCN2 CNP0110438.1 [0,0,0,1,0,1|2,0,0]=4 228 B12R2.2 C1=CNCC(=C1)[C@@H]2CCCN2 CNP0141026.1 [0,0,0,1,0,1|2,0,0]=4 229 B12R2.41 C1=CC=C2SCCCCC2=C1 CNP0497800.0 [0,0,0,1,0,1|2,0,0]=4 230 B12R2.98 C(=C1CCNC1)C2=CC=CO2 CNP0002557.0 [0,1,0,1,0,0|0,0,2]=4 231 B12R2.98 C1=COC(=C1)CN2CCCC2 CNP0134055.0 [0,1,0,1,0,0|0,0,0]=2 232 B12R2.6 CC1=CC=C(O1)C2=NCCC2 CNP0002554.0 [0,1,0,1,0,0|1,0,1]=4 233 B12R2.6 CC1=CC=C(O1)C2CCCN2 CNP0325112.0 [0,1,0,1,0,0|1,0,0]=3 234 B12R2.6 C[C@@H]1CC[C@H](O1)C2=COC=C2 CNP0162968.1 [0,1,0,1,0,0|2,0,0]=4