0 B6R1.1 C1=CCC=CC1 CNP0508932.0 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.1 C1=CCCC=C1 CNP0267898.0 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.1 C1=CCCCC1 CNP0275665.0 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.1 C1=CCN=CC1 CNP0062927.0 [0,0,0,0,0,0|1,0,3]=4 4 B6R1.1 C1=CCNC=C1 CNP0081217.0 [0,0,0,0,0,0|1,0,3]=4 5 B6R1.1 C1=CCNCC1 CNP0086452.0 [0,0,0,0,0,0|1,0,1]=2 6 B6R1.1 C1=CNCCC1 CNP0200592.0 [0,0,0,0,0,0|1,0,2]=3 7 B6R1.1 C1=CNCN=C1 CNP0472134.0 [0,0,0,0,0,0|2,0,2]=4 8 B6R1.1 C1=COCCC1 CNP0583467.0 [0,0,0,0,0,0|2,0,2]=4 9 B6R1.1 C1=CSSCC1 CNP0530429.0 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.1 C1=NCCCC1 CNP0139263.0 [0,0,0,0,0,0|1,0,2]=3 11 B6R1.1 C1CCCCC1 CNP0220772.0 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.1 C1CCNCC1 CNP0153358.0 [0,0,0,0,0,0|1,0,0]=1 13 B6R1.1 C1CCOCC1 CNP0484551.0 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.1 C1CNCCN1 CNP0389558.0 [0,0,0,0,0,0|0,0,0]=0 15 B6R1.1 C1CNCCN1 CNP0554301.0 [0,0,0,0,0,0|0,0,0]=0 16 B6R1.1 C1COCCN1 CNP0167865.0 [0,0,0,0,0,0|1,0,0]=1 17 B6R1.1 C1COCCO1 CNP0353166.0 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.1 C1COCSC1 CNP0517977.0 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.1 C1CSCCS1 CNP0316640.0 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.1 C1CSCSC1 CNP0221424.0 [0,0,0,0,0,0|3,0,0]=3 21 B6R1.1 C1CSSCS1 CNP0173795.0 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.1 C1CSSSC1 CNP0124260.0 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.1 C1CSSSS1 CNP0579601.0 [0,0,0,0,0,0|4,0,0]=4 24 B6R1.1 C1SCSCS1 CNP0146146.0 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.1 C1SSCSS1 CNP0111847.0 [0,0,0,0,0,0|4,0,0]=4 26 B6R1.1 C1[SiH2]C[SiH2]C[SiH2]1 CNP0127858.0 [0,0,0,0,0,0|2,2,0]=4 27 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,1,0,0,0,0|2,0,0]=3 29 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,1,0,0,0,0|1,0,0]=2 34 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,1,0,0,0,0|1,0,0]=2 37 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,1,0,0,0,0|1,0,0]=2 38 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,1,0,0,0,0|1,0,0]=2 40 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,1,0,0,0,0|1,0,2]=4 44 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,1,0,0,0,0|1,0,2]=4 45 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,1,0,0,0,0|2,0,1]=4 46 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,1,0,0,0,0|1,0,1]=3 48 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,1,0,0,0,0|2,0,1]=4 49 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,1,0,0,0,0|1,0,0]=2 50 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,1,0,0,0,0|1,0,1]=3 51 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,1,0,0,0,0|2,0,1]=4 52 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,1,0,0,0,0|1,0,2]=4 53 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,1,0,0,0,0|2,0,1]=4 54 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.3 OC1COCOC1 CNP0567932.0 [0,1,0,0,0,0|3,0,0]=4 56 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,1,0,0,0,0|2,0,1]=4 58 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [0,1,0,0,0,0|3,0,0]=4 60 B7R1.3 [O-][S@+]1CCSSC1 CNP0547050.1 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.3 [O-][S@@H+]1CCSSC1 CNP0603900.1 [0,1,0,0,0,0|3,0,0]=4 62 B5R0.2 C=CCCCC CNP0264947.0 [0,0,1,0,0,0|2,0,1]=4 63 B5R0.2 C=CCSCC CNP0261096.0 [0,0,1,0,0,0|2,0,1]=4 64 B5R0.2 CC#CCCO CNP0515871.0 [0,0,1,0,0,0|2,0,1]=4 65 B5R0.2 CC=CCCC CNP0419577.0 [0,0,1,0,0,0|2,0,1]=4 66 B5R0.2 CC=CCCO CNP0253382.0 [0,0,1,0,0,0|2,0,1]=4 67 B5R0.2 CCC#CCO CNP0076027.0 [0,0,1,0,0,0|2,0,1]=4 68 B5R0.2 CCC=CCO CNP0239009.0 [0,0,1,0,0,0|2,0,1]=4 69 B5R0.2 CCC=NNC CNP0543863.0 [0,0,1,0,0,0|2,0,1]=4 70 B5R0.2 CCCCC#N CNP0357663.0 [0,0,1,0,0,0|1,0,2]=4 71 B5R0.2 CCCCC=O CNP0361186.0 [0,0,1,0,0,0|2,0,1]=4 72 B5R0.2 CCCCCBr CNP0018690.0 [0,0,1,0,0,0|2,0,0]=3 73 B5R0.2 CCCCCC CNP0269021.0 [0,0,1,0,0,0|2,0,0]=3 74 B5R0.2 CCCCCI CNP0017763.0 [0,0,1,0,0,0|2,0,0]=3 75 B5R0.2 CCCCCN CNP0203183.0 [0,0,1,0,0,0|1,0,0]=2 76 B5R0.2 CCCCCO CNP0244882.0 [0,0,1,0,0,0|2,0,0]=3 77 B5R0.2 CCCCCS CNP0260876.0 [0,0,1,0,0,0|2,0,0]=3 78 B5R0.2 CCCCNC CNP0277639.0 [0,0,1,0,0,0|1,0,0]=2 79 B5R0.2 CCCCOC CNP0609033.0 [0,0,1,0,0,0|2,0,0]=3 80 B5R0.2 CCCCSC CNP0562965.0 [0,0,1,0,0,0|2,0,0]=3 81 B5R0.2 CCCC[S+]=O CNP0521772.0 [0,0,1,0,0,0|3,0,0]=4 82 B5R0.2 CCCSCC CNP0316215.0 [0,0,1,0,0,0|2,0,0]=3 83 B5R0.2 CCCSSC CNP0296815.0 [0,0,1,0,0,0|3,0,0]=4 84 B5R0.2 CCNCCN CNP0281269.0 [0,0,1,0,0,0|0,0,0]=1 85 B5R0.2 CCNCCO CNP0396370.0 [0,0,1,0,0,0|1,0,0]=2 86 B5R0.2 CCOCC#N CNP0184632.0 [0,0,1,0,0,0|1,0,2]=4 87 B5R0.2 CCOCCO CNP0319988.0 [0,0,1,0,0,0|2,0,0]=3 88 B5R0.2 CCSCCN CNP0506731.0 [0,0,1,0,0,0|1,0,0]=2 89 B5R0.2 CCSSCC CNP0416624.0 [0,0,1,0,0,0|3,0,0]=4 90 B5R0.2 CNCCNC CNP0480039.0 [0,0,1,0,0,0|0,0,0]=1 91 B5R0.2 COCCOC CNP0144142.0 [0,0,1,0,0,0|2,0,0]=3 92 B5R0.2 CSCCC=O CNP0136743.0 [0,0,1,0,0,0|3,0,0]=4 93 B5R0.2 CSCCCN CNP0348726.0 [0,0,1,0,0,0|2,0,0]=3 94 B5R0.2 CSCCCO CNP0359993.0 [0,0,1,0,0,0|3,0,0]=4 95 B5R0.2 CSCSSC CNP0313036.0 [0,0,1,0,0,0|3,0,0]=4 96 B5R0.2 NCCCC=O CNP0359033.0 [0,0,1,0,0,0|2,0,1]=4 97 B5R0.2 NCCCCN CNP0116270.0 [0,0,1,0,0,0|2,0,0]=3 98 B5R0.2 NCCCCO CNP0514594.0 [0,0,1,0,0,0|2,0,0]=3 99 B5R0.2 OCCCCBr CNP0083982.0 [0,0,1,0,0,0|3,0,0]=4 100 B5R0.2 OCCCCCl CNP0079807.0 [0,0,1,0,0,0|3,0,0]=4 101 B5R0.2 OCCCCO CNP0080008.0 [0,0,1,0,0,0|3,0,0]=4 102 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [0,0,1,0,0,0|1,0,2]=4 103 B7R2.13 C1CC2CC2C1 CNP0612213.0 [0,0,0,1,0,0|2,0,0]=3 104 B5R1.1 C1=CCCC1 CNP0534738.0 [0,0,0,0,1,0|1,0,1]=3 105 B5R1.1 C1=CCOC1 CNP0579994.0 [0,0,0,0,1,0|1,0,2]=4 106 B5R1.1 C1=CNCC1 CNP0527065.0 [0,0,0,0,1,0|0,0,2]=3 107 B5R1.1 C1=COCC1 CNP0540644.0 [0,0,0,0,1,0|1,0,2]=4 108 B5R1.1 C1=CSCC1 CNP0496655.0 [0,0,0,0,1,0|1,0,2]=4 109 B5R1.1 C1=NCCC1 CNP0581055.0 [0,0,0,0,1,0|0,0,2]=3 110 B5R1.1 C1=PCCC1 CNP0609027.0 [0,0,0,0,1,0|0,1,1]=3 111 B5R1.1 C1CCCC1 CNP0566364.0 [0,0,0,0,1,0|1,0,0]=2 112 B5R1.1 C1CCNC1 CNP0572990.0 [0,0,0,0,1,0|0,0,0]=1 113 B5R1.1 C1CCOC1 CNP0507941.0 [0,0,0,0,1,0|1,0,0]=2 114 B5R1.1 C1CCPC1 CNP0598418.0 [0,0,0,0,1,0|0,1,0]=2 115 B5R1.1 C1CCSC1 CNP0569262.0 [0,0,0,0,1,0|1,0,0]=2 116 B5R1.1 C1COCO1 CNP0568859.0 [0,0,0,0,1,0|2,0,0]=3 117 B5R1.1 C1CSCN1 CNP0561874.0 [0,0,0,0,1,0|1,0,0]=2 118 B5R1.1 C1CSSC1 CNP0501166.0 [0,0,0,0,1,0|2,0,0]=3 119 B5R1.1 C1SCSS1 CNP0507701.0 [0,0,0,0,1,0|3,0,0]=4 120 B7R1.24 C1CCCCCC1 CNP0223227.0 [0,0,0,0,0,1|2,0,0]=3 121 B7R1.24 C1COCOCO1 CNP0076298.0 [0,0,0,0,0,1|2,0,0]=3 122 B7R1.24 C1CSSSCS1 CNP0233647.0 [0,0,0,0,0,1|3,0,0]=4 123 B7R1.24 C1SCSSCS1 CNP0225166.0 [0,0,0,0,0,1|3,0,0]=4 124 B4R0.2 C#CCCC CNP0510243.0 [1,0,1,0,0,0|1,0,1]=4 125 B4R0.2 C=CCCC CNP0529271.0 [1,0,1,0,0,0|1,0,1]=4 126 B4R0.2 C=CCCN CNP0493733.0 [1,0,1,0,0,0|0,0,2]=4 127 B4R0.2 CC#CCC CNP0516358.0 [1,0,1,0,0,0|1,0,1]=4 128 B4R0.2 CC=CCC CNP0524560.0 [1,0,1,0,0,0|1,0,1]=4 129 B4R0.2 CCCC=O CNP0518034.0 [1,0,1,0,0,0|1,0,1]=4 130 B4R0.2 CCCCC CNP0486380.0 [1,0,1,0,0,0|1,0,0]=3 131 B4R0.2 CCCCI CNP0558480.0 [1,0,1,0,0,0|1,0,0]=3 132 B4R0.2 CCCCN CNP0597509.0 [1,0,1,0,0,0|0,0,0]=2 133 B4R0.2 CCCCO CNP0505612.0 [1,0,1,0,0,0|1,0,0]=3 134 B4R0.2 CCCCS CNP0598878.0 [1,0,1,0,0,0|1,0,0]=3 135 B4R0.2 CCCNC CNP0599313.0 [1,0,1,0,0,0|0,0,0]=2 136 B4R0.2 CCCOC CNP0609062.0 [1,0,1,0,0,0|1,0,0]=3 137 B4R0.2 CCCSC CNP0481317.0 [1,0,1,0,0,0|1,0,0]=3 138 B4R0.2 CCCSO CNP0594110.0 [1,0,1,0,0,0|2,0,0]=4 139 B4R0.2 CCNCC CNP0491960.0 [1,0,1,0,0,0|0,0,0]=2 140 B4R0.2 CCOCC CNP0572765.0 [1,0,1,0,0,0|1,0,0]=3 141 B4R0.2 CCSCC CNP0518873.0 [1,0,1,0,0,0|1,0,0]=3 142 B4R0.2 CCSSC CNP0571147.0 [1,0,1,0,0,0|2,0,0]=4 143 B4R0.2 CNCCN CNP0496542.0 [1,0,1,0,0,0|0,0,0]=2 144 B4R0.2 CNCCO CNP0513801.0 [1,0,1,0,0,0|1,0,0]=3 145 B4R0.2 COCCI CNP0495552.0 [1,0,1,0,0,0|2,0,0]=4 146 B4R0.2 COCCO CNP0561250.0 [1,0,1,0,0,0|2,0,0]=4 147 B4R0.2 COCC[Si] CNP0501162.0 [1,0,1,0,0,0|1,1,0]=4 148 B4R0.2 CSCCO CNP0574269.0 [1,0,1,0,0,0|2,0,0]=4 149 B4R0.2 CSCSC CNP0591427.0 [1,0,1,0,0,0|2,0,0]=4 150 B4R0.2 N#CCCN CNP0502764.0 [1,0,1,0,0,0|1,0,1]=4 151 B4R0.2 NCCC=O CNP0502520.0 [1,0,1,0,0,0|1,0,1]=4 152 B4R0.2 NCCCN CNP0566837.0 [1,0,1,0,0,0|1,0,0]=3 153 B4R0.2 NCCCO CNP0538228.0 [1,0,1,0,0,0|1,0,0]=3 154 B4R0.2 NCCCS CNP0560812.0 [1,0,1,0,0,0|1,0,0]=3 155 B4R0.2 OCCCBr CNP0506989.0 [1,0,1,0,0,0|2,0,0]=4 156 B4R0.2 OCCCO CNP0503416.0 [1,0,1,0,0,0|2,0,0]=4 157 B4R0.2 OCCCS CNP0586497.0 [1,0,1,0,0,0|2,0,0]=4 158 B4R0.2 SCCCS CNP0528691.0 [1,0,1,0,0,0|2,0,0]=4 159 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,1,0,0,0|0,0,2]=4 160 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,1,1,0,0,0|2,0,0]=4 161 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,1,0,0,0|2,0,0]=4 162 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,1,1,0,0,0|2,0,0]=4 163 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,1,0,0,0|2,0,0]=4 164 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,1,1,0,0,0|2,0,0]=4 165 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,1,0,0,0|2,0,0]=4 166 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,1,1,0,0,0|2,0,0]=4 167 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,1,0,0,0|2,0,0]=4 168 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,1,1,0,0,0|1,0,0]=3 169 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,1,0,0,0|2,0,0]=4 170 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,1,1,0,0,0|1,0,1]=4 171 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,1,0,0,0|2,0,0]=4 172 B6R0.1 CCSC(S)CC CNP0488688.0 [0,1,1,0,0,0|2,0,0]=4 173 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,1,0,0,0|2,0,0]=4 174 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,1,0,0,0|2,0,0]=4 175 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,1,1,0,0,0|1,0,1]=4 176 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,1,1,0,0,0|2,0,0]=4 177 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,1,1,0,0,0|2,0,0]=4 178 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,1,1,0,0,0|2,0,0]=4 179 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,1,1,0,0,0|1,0,1]=4 180 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,1,1,0,0,0|0,0,1]=3 181 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,1,1,0,0,0|1,0,1]=4 182 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,1,1,0,0,0|1,0,1]=4 183 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,1,1,0,0,0|1,0,1]=4 184 B6R0.4 CC(C)CCCO CNP0344466.0 [0,1,1,0,0,0|2,0,0]=4 185 B6R0.4 CC(C)NCCN CNP0082470.0 [0,1,1,0,0,0|0,0,0]=2 186 B6R0.4 CC(C)NCCO CNP0141461.0 [0,1,1,0,0,0|1,0,0]=3 187 B6R0.4 CC(C)OCCO CNP0079907.0 [0,1,1,0,0,0|2,0,0]=4 188 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,1,1,0,0,0|2,0,0]=4 189 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,1,1,0,0,0|1,0,1]=4 190 B6R0.4 CCCCC(C)C CNP0312749.0 [0,1,1,0,0,0|2,0,0]=4 191 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,1,1,0,0,0|2,0,0]=4 192 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,1,1,0,0,0|2,0,0]=4 193 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,1,1,0,0,0|1,0,1]=4 194 B6R0.4 CCCSC(C)C CNP0228244.0 [0,1,1,0,0,0|2,0,0]=4 195 B6R0.4 CCCSC(C)S CNP0609747.0 [0,1,1,0,0,0|2,0,0]=4 196 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,1,1,0,0,0|1,0,1]=4 197 B6R0.4 CCNCC(C)C CNP0165310.0 [0,1,1,0,0,0|1,0,0]=3 198 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,1,1,0,0,0|1,0,1]=4 199 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,1,1,0,0,0|2,0,0]=4 200 B6R0.4 CCSCC(C)C CNP0208462.0 [0,1,1,0,0,0|2,0,0]=4 201 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,1,1,0,0,0|2,0,0]=4 202 B6R0.4 CNCCC(C)C CNP0254439.0 [0,1,1,0,0,0|1,0,0]=3 203 B6R0.4 COCCC(C)C CNP0316382.0 [0,1,1,0,0,0|2,0,0]=4 204 B6R0.4 COCCN(C)C CNP0429553.0 [0,1,1,0,0,0|1,0,0]=3 205 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,1,1,0,0,0|2,0,0]=4 206 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,1,1,0,0,0|2,0,0]=4 207 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,1,1,0,0,0|2,0,0]=4 208 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,1,1,0,0,0|2,0,0]=4 209 B6R0.4 NCCN[N+](=O)[O-] CNP0355337.0 [0,1,1,0,0,0|2,0,0]=4 210 B6R0.6 C=CCCCCC CNP0226691.0 [0,1,1,0,0,0|2,0,0]=4 211 B6R0.6 CC=CCCCC CNP0158475.0 [0,1,1,0,0,0|2,0,0]=4 212 B6R0.6 CCC#CCCO CNP0170517.0 [0,1,1,0,0,0|2,0,0]=4 213 B6R0.6 CCC=CCCC CNP0391454.0 [0,1,1,0,0,0|2,0,0]=4 214 B6R0.6 CCC=CCCO CNP0255718.0 [0,1,1,0,0,0|2,0,0]=4 215 B6R0.6 CCCCCC#N CNP0412353.0 [0,1,1,0,0,0|1,0,1]=4 216 B6R0.6 CCCCCC=O CNP0304790.0 [0,1,1,0,0,0|2,0,0]=4 217 B6R0.6 CCCCCCC CNP0290800.0 [0,1,1,0,0,0|2,0,0]=4 218 B6R0.6 CCCCCCN CNP0213933.0 [0,1,1,0,0,0|1,0,0]=3 219 B6R0.6 CCCCCCO CNP0317600.0 [0,1,1,0,0,0|2,0,0]=4 220 B6R0.6 CCCCCCS CNP0167948.0 [0,1,1,0,0,0|2,0,0]=4 221 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,1,1,0,0,0|2,0,0]=4 222 B6R0.6 CCCCCNC CNP0276164.0 [0,1,1,0,0,0|1,0,0]=3 223 B6R0.6 CCCCCOC CNP0358174.0 [0,1,1,0,0,0|2,0,0]=4 224 B6R0.6 CCCCCSC CNP0293012.0 [0,1,1,0,0,0|2,0,0]=4 225 B6R0.6 CCCCCSS CNP0228282.0 [0,1,1,0,0,0|2,0,0]=4 226 B6R0.6 CCCCNC=O CNP0082472.0 [0,1,1,0,0,0|1,0,1]=4 227 B6R0.6 CCCCSSC CNP0532819.0 [0,1,1,0,0,0|2,0,0]=4 228 B6R0.6 CCCNCCC CNP0129820.0 [0,1,1,0,0,0|1,0,0]=3 229 B6R0.6 CCCOCCO CNP0079853.0 [0,1,1,0,0,0|2,0,0]=4 230 B6R0.6 CCCSCCC CNP0173387.0 [0,1,1,0,0,0|2,0,0]=4 231 B6R0.6 CCCSSCC CNP0322971.0 [0,1,1,0,0,0|2,0,0]=4 232 B6R0.6 CCOCCCO CNP0304052.0 [0,1,1,0,0,0|2,0,0]=4 233 B6R0.6 CCOCCCS CNP0267296.0 [0,1,1,0,0,0|2,0,0]=4 234 B6R0.6 CCSCCCO CNP0355297.0 [0,1,1,0,0,0|2,0,0]=4 235 B6R0.6 CNCCCCN CNP0157274.0 [0,1,1,0,0,0|1,0,0]=3 236 B6R0.6 COCCCCO CNP0570905.0 [0,1,1,0,0,0|2,0,0]=4 237 B6R0.6 CSCCCCO CNP0002400.0 [0,1,1,0,0,0|2,0,0]=4 238 B6R0.6 ClCCOCCCl CNP0082891.0 [0,1,1,0,0,0|2,0,0]=4 239 B6R0.6 NCCCCC=O CNP0083786.0 [0,1,1,0,0,0|1,0,1]=4 240 B6R0.6 NCCCCCN CNP0184259.0 [0,1,1,0,0,0|1,0,0]=3 241 B6R0.6 NCCCCCO CNP0032450.0 [0,1,1,0,0,0|1,0,0]=3 242 B6R0.6 NCCOCCN CNP0447264.0 [0,1,1,0,0,0|1,0,0]=3 243 B6R0.6 OCCCCCO CNP0201249.0 [0,1,1,0,0,0|2,0,0]=4 244 B6R0.6 OCCNCCO CNP0247543.0 [0,1,1,0,0,0|1,0,0]=3 245 B6R0.6 OCCOCCO CNP0333860.0 [0,1,1,0,0,0|2,0,0]=4 246 B6R0.6 OCCSCCO CNP0335773.0 [0,1,1,0,0,0|2,0,0]=4 247 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,1,0,0,1,0|1,0,0]=3 248 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,1,0,0,1,0|1,0,1]=4 249 B6R1.2 CC1CCCC1 CNP0194612.0 [0,1,0,0,1,0|1,0,0]=3 250 B6R1.2 CC1CCCO1 CNP0502439.0 [0,1,0,0,1,0|1,0,0]=3 251 B6R1.2 CC1OCCO1 CNP0611683.0 [0,1,0,0,1,0|2,0,0]=4 252 B6R1.2 CC1SCCS1 CNP0002932.0 [0,1,0,0,1,0|2,0,0]=4 253 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,1,0,0,1,0|0,0,2]=4 254 B6R1.2 CN1CCCC1 CNP0395436.0 [0,1,0,0,1,0|0,0,0]=2 255 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,1,0,0,1,0|0,0,2]=4 256 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,1,0,0,1,0|0,0,0]=2 257 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,1,0,0,1,0|1,0,0]=3 258 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,1,0,0,1,0|1,0,0]=3 259 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,1,0,0,1,0|0,0,2]=4 260 B6R1.2 NN1CCCC1 CNP0577233.0 [0,1,0,0,1,0|0,0,0]=2 261 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,1,0,0,1,0|1,0,0]=3 262 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,1,0,0,1,0|0,0,1]=3 263 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,1,0,0,1,0|1,0,1]=4 264 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,1,0,0,1,0|1,0,1]=4 265 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,1,0,0,1,0|1,0,1]=4 266 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,1,0,0,1,0|1,0,1]=4 267 B6R1.2 O=C1CCON1 CNP0325381.0 [0,1,0,0,1,0|1,0,1]=4 268 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,1,0,0,1,0|1,0,1]=4 269 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,1,0,0,1,0|1,0,1]=4 270 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,1,0,0,1,0|0,0,2]=4 271 B6R1.2 OC1CCCC1 CNP0085994.0 [0,1,0,0,1,0|1,0,0]=3 272 B6R1.2 OC1CSSC1 CNP0317557.0 [0,1,0,0,1,0|2,0,0]=4 273 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,1,0,0,1,0|1,0,0]=3 274 B6R1.2 S=C1NCCN1 CNP0310090.0 [0,1,0,0,1,0|0,0,1]=3 275 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,1,0,0,1,0|1,0,1]=4 276 B6R1.2 SC1CCCC1 CNP0280825.0 [0,1,0,0,1,0|1,0,0]=3 277 B6R1.2 SC1CCCS1 CNP0002503.0 [0,1,0,0,1,0|1,0,0]=3 278 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,1,0,0,1,0|0,0,2]=4 279 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,1,0,0,0,1|2,0,0]=4 280 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,1,0,0,0,1|1,0,1]=4 281 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,1,0,0,0,1|1,0,1]=4 282 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,1,0,0,0,1|2,0,0]=4 283 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,1,0,0,0,1|1,0,0]=3 284 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,1,0,0,0,1|2,0,0]=4 285 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,1,0,0,0,1|1,0,1]=4 286 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,1,0,0,0,1|1,0,1]=4 287 B8R1.22 O[C@@H]1CNCCOC1 CNP0237299.1 [0,1,0,0,0,1|1,0,0]=3 288 B8R1.2 CCC1CCCCC1 CNP0300322.0 [0,2,0,0,0,0|2,0,0]=4 289 B8R1.2 CCN1CCOCC1 CNP0382188.0 [0,2,0,0,0,0|1,0,0]=3 290 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,2,0,0,0,0|2,0,0]=4 291 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,2,0,0,0,0|2,0,0]=4 292 B8R1.2 CNC1CCCCC1 CNP0474937.0 [0,2,0,0,0,0|2,0,0]=4 293 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,2,0,0,0,0|2,0,0]=4 294 B8R1.2 NCC1CCCCC1 CNP0581484.0 [0,2,0,0,0,0|2,0,0]=4 295 B8R1.2 NCC1CCOCC1 CNP0398955.0 [0,2,0,0,0,0|2,0,0]=4 296 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,2,0,0,0,0|2,0,0]=4 297 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,2,0,0,0,0|1,0,0]=3 298 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [0,2,0,0,0,0|1,0,0]=3 299 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [0,2,0,0,0,0|1,0,0]=3 300 B8R1.2 O=NN1CCOCC1 CNP0158830.0 [0,2,0,0,0,0|1,0,0]=3 301 B8R1.2 OCC1CCCCN1 CNP0335046.0 [0,2,0,0,0,0|1,0,0]=3 302 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [0,2,0,0,0,0|2,0,0]=4 303 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,2,0,0,0,0|2,0,0]=4 304 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [0,2,0,0,0,0|2,0,0]=4 305 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,2,0,0,0,0|2,0,0]=4 306 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [0,2,0,0,0,0|2,0,0]=4 307 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,2,0,0,0,0|2,0,0]=4 308 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [0,2,0,0,0,0|1,0,0]=3 309 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,2,0,0,0,0|1,0,0]=3 310 B8R1.3 CN1CCN(CC1)C CNP0276913.0 [0,2,0,0,0,0|0,0,0]=2 311 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,2,0,0,0,0|2,0,0]=4 312 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [0,2,0,0,0,0|2,0,0]=4 313 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,2,0,0,0,0|2,0,0]=4 314 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [0,2,0,0,0,0|2,0,0]=4 315 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,2,0,0,0,0|2,0,0]=4 316 B8R1.3 O=C1CNC(=O)CN1 CNP0395351.0 [0,2,0,0,0,0|0,0,2]=4 317 B8R1.3 OC1COC(CO1)O CNP0129364.0 [0,2,0,0,0,0|2,0,0]=4 318 B8R1.3 OC1CSC(CS1)O CNP0309516.0 [0,2,0,0,0,0|2,0,0]=4 319 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [0,2,0,0,0,0|1,0,0]=3 320 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,2,0,0,0,0|2,0,0]=4 321 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,2,0,0,0,0|2,0,0]=4 322 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,2,0,0,0,0|2,0,0]=4 323 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [0,2,0,0,0,0|1,0,0]=3 324 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,2,0,0,0,0|2,0,0]=4 325 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,2,0,0,0,0|2,0,0]=4 326 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [0,2,0,0,0,0|1,0,0]=3 327 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,2,0,0,0,0|2,0,0]=4 328 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,2,0,0,0,0|2,0,0]=4 329 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,2,0,0,0,0|2,0,0]=4 330 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,2,0,0,0,0|2,0,0]=4 331 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,2,0,0,0,0|2,0,0]=4 332 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,2,0,0,0,0|2,0,0]=4 333 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,2,0,0,0,0|2,0,0]=4 334 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,2,0,0,0,0|2,0,0]=4 335 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [0,2,0,0,0,0|2,0,0]=4 336 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [0,2,0,0,0,0|2,0,0]=4 337 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,2,0,0,0,0|1,0,1]=4 338 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [0,2,0,0,0,0|2,0,0]=4 339 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [0,2,0,0,0,0|2,0,0]=4 340 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,2,0,0,0,0|2,0,0]=4 341 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,2,0,0,0,0|0,0,2]=4 342 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [0,2,0,0,0,0|2,0,0]=4 343 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [0,2,0,0,0,0|2,0,0]=4 344 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [0,2,0,0,0,0|2,0,0]=4 345 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [0,2,0,0,0,0|2,0,0]=4 346 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [0,2,0,0,0,0|2,0,0]=4 347 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [0,2,0,0,0,0|2,0,0]=4 348 B8R1.72 C[N+]1(CCCCC1)[O-] CNP0052569.0 [0,2,0,0,0,0|1,0,1]=4 349 B6R1.3 CCCC1CC1 CNP0506060.0 [0,0,1,1,0,0|2,0,0]=4 350 B6R1.3 NCCN1CC1 CNP0522628.0 [0,0,1,1,0,0|0,0,0]=2 351 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,1,1,0,0|2,0,0]=4 352 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,1,1,0,0|2,0,0]=4 353 B8R2.22 C1=C[C@@H]2[C@H]1CCC2 CNP0231312.1 [0,0,0,1,0,1|2,0,0]=4 354 B8R2.25 C1CCC2OC2C1 CNP0609031.0 [0,0,0,1,0,1|2,0,0]=4 355 B8R2.25 C1CC[C@@H]2C[C@H]2C1 CNP0258217.1 [0,0,0,1,0,1|2,0,0]=4 356 B8R2.11 C=C1C2C1CCC2 CNP0538845.0 [0,1,0,1,0,0|2,0,0]=4 357 B8R2.34 C1CC2OCC1O2 CNP0611976.0 [0,1,0,1,0,0|2,0,0]=4 358 B4R1.1 C1CCC1 CNP0580344.0 [0,0,0,0,2,0|0,0,0]=2 359 B4R1.1 C1CSC1 CNP0598686.0 [0,0,0,0,2,0|1,0,0]=3 360 B8R1.49 C1#CCCC=CCC1 CNP0593767.0 [0,0,0,0,0,2|2,0,0]=4 361 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,0,0,0,0,2|2,0,0]=4