0 B4R0.2 C#CC=CC CNP0541501.0 [0,0,0,0,0,0|1,0,3]=4 1 B4R0.2 C#CCC=O CNP0596193.0 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.2 C#CCCC CNP0510243.0 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.2 C#CCCO CNP0577358.0 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.2 C=C=CCC CNP0484675.0 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.2 C=CC=CC CNP0501543.0 [0,0,0,0,0,0|1,0,3]=4 6 B4R0.2 C=CCC#N CNP0498043.0 [0,0,0,0,0,0|0,0,4]=4 7 B4R0.2 C=CCC=C CNP0494589.0 [0,0,0,0,0,0|1,0,3]=4 8 B4R0.2 C=CCCC CNP0529271.0 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.2 C=CCCN CNP0493733.0 [0,0,0,0,0,0|0,0,2]=2 10 B4R0.2 C=CCCO CNP0599473.0 [0,0,0,0,0,0|1,0,2]=3 11 B4R0.2 C=CCSC CNP0572475.0 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.2 C=CCSO CNP0600527.0 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.2 C=CC[Se]C CNP0612039.0 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.2 C=COCC CNP0567970.0 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.2 C=CSCC CNP0581257.0 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.2 C=NCC#N CNP0567708.0 [0,0,0,0,0,0|1,0,3]=4 17 B4R0.2 CC#CCC CNP0516358.0 [0,0,0,0,0,0|1,0,2]=3 18 B4R0.2 CC=CC#N CNP0588304.0 [0,0,0,0,0,0|0,0,4]=4 19 B4R0.2 CC=CC=O CNP0576575.0 [0,0,0,0,0,0|1,0,3]=4 20 B4R0.2 CC=CCC CNP0524560.0 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.2 CC=CCO CNP0498228.0 [0,0,0,0,0,0|1,0,2]=3 22 B4R0.2 CC=CCS CNP0606069.0 [0,0,0,0,0,0|1,0,2]=3 23 B4R0.2 CC=CSC CNP0587371.0 [0,0,0,0,0,0|2,0,2]=4 24 B4R0.2 CC=CSO CNP0521494.0 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.2 CCC#CO CNP0612045.0 [0,0,0,0,0,0|1,0,2]=3 26 B4R0.2 CCC=NO CNP0599998.0 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.2 CCC=S=O CNP0514855.0 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.2 CCCC=O CNP0518034.0 [0,0,0,0,0,0|1,0,1]=2 29 B4R0.2 CCCCC CNP0486380.0 [0,0,0,0,0,0|1,0,0]=1 30 B4R0.2 CCCCI CNP0558480.0 [0,0,0,0,0,0|1,0,0]=1 31 B4R0.2 CCCCN CNP0597509.0 [0,0,0,0,0,0|0,0,0]=0 32 B4R0.2 CCCCO CNP0505612.0 [0,0,0,0,0,0|1,0,0]=1 33 B4R0.2 CCCCS CNP0598878.0 [0,0,0,0,0,0|1,0,0]=1 34 B4R0.2 CCCNC CNP0599313.0 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.2 CCCOC CNP0609062.0 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.2 CCCSC CNP0481317.0 [0,0,0,0,0,0|2,0,0]=2 37 B4R0.2 CCCSO CNP0594110.0 [0,0,0,0,0,0|2,0,0]=2 38 B4R0.2 CCN=C=S CNP0601773.0 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.2 CCNCC CNP0491960.0 [0,0,0,0,0,0|2,0,0]=2 40 B4R0.2 CCOC=O CNP0525155.0 [0,0,0,0,0,0|2,0,1]=3 41 B4R0.2 CCOCC CNP0572765.0 [0,0,0,0,0,0|2,0,0]=2 42 B4R0.2 CCON=O CNP0596964.0 [0,0,0,0,0,0|3,0,0]=3 43 B4R0.2 CCSC#N CNP0540962.0 [0,0,0,0,0,0|1,0,2]=3 44 B4R0.2 CCSCC CNP0518873.0 [0,0,0,0,0,0|2,0,0]=2 45 B4R0.2 CCSSC CNP0571147.0 [0,0,0,0,0,0|3,0,0]=3 46 B4R0.2 CN=CC=S CNP0547393.0 [0,0,0,0,0,0|2,0,2]=4 47 B4R0.2 CNCCN CNP0496542.0 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.2 CNCCO CNP0513801.0 [0,0,0,0,0,0|2,0,0]=2 49 B4R0.2 COCCI CNP0495552.0 [0,0,0,0,0,0|2,0,0]=2 50 B4R0.2 COCCO CNP0561250.0 [0,0,0,0,0,0|2,0,0]=2 51 B4R0.2 COCC[Si] CNP0501162.0 [0,0,0,0,0,0|2,0,0]=2 52 B4R0.2 CSCC=O CNP0555203.0 [0,0,0,0,0,0|2,0,1]=3 53 B4R0.2 CSCCO CNP0574269.0 [0,0,0,0,0,0|2,0,0]=2 54 B4R0.2 CSCSC CNP0591427.0 [0,0,0,0,0,0|3,0,0]=3 55 B4R0.2 CSSSC CNP0486985.0 [0,0,0,0,0,0|4,0,0]=4 56 B4R0.2 CS[Se]SC CNP0608554.0 [0,0,0,0,0,0|4,0,0]=4 57 B4R0.2 ClC=CCCl CNP0530301.0 [0,0,0,0,0,0|2,0,2]=4 58 B4R0.2 N#CCCN CNP0502764.0 [0,0,0,0,0,0|1,0,1]=2 59 B4R0.2 NCCC=O CNP0502520.0 [0,0,0,0,0,0|1,0,1]=2 60 B4R0.2 NCCCN CNP0566837.0 [0,0,0,0,0,0|1,0,0]=1 61 B4R0.2 NCCCO CNP0538228.0 [0,0,0,0,0,0|1,0,0]=1 62 B4R0.2 NCCCS CNP0560812.0 [0,0,0,0,0,0|1,0,0]=1 63 B4R0.2 NOCON CNP0531529.0 [0,0,0,0,0,0|3,0,0]=3 64 B4R0.2 O=CCC=O CNP0495847.0 [0,0,0,0,0,0|2,0,2]=4 65 B4R0.2 O=CCCO CNP0525339.0 [0,0,0,0,0,0|2,0,1]=3 66 B4R0.2 OCC=CCl CNP0578872.0 [0,0,0,0,0,0|2,0,2]=4 67 B4R0.2 OCCCBr CNP0506989.0 [0,0,0,0,0,0|2,0,0]=2 68 B4R0.2 OCCCO CNP0503416.0 [0,0,0,0,0,0|2,0,0]=2 69 B4R0.2 OCCCS CNP0586497.0 [0,0,0,0,0,0|2,0,0]=2 70 B4R0.2 SCCCS CNP0528691.0 [0,0,0,0,0,0|2,0,0]=2 71 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [0,0,0,0,0,0|2,0,0]=2 72 B3R0.1 BrCCBr CNP0591557.0 [1,0,0,0,0,0|2,0,0]=3 73 B3R0.1 BrCCI CNP0495630.0 [1,0,0,0,0,0|2,0,0]=3 74 B3R0.1 C#CCC CNP0509561.0 [1,0,0,0,0,0|0,0,2]=3 75 B3R0.1 C#CCO CNP0488604.0 [1,0,0,0,0,0|1,0,2]=4 76 B3R0.1 C#[N+]CC CNP0559170.0 [1,0,0,0,0,0|1,0,1]=3 77 B3R0.1 C=C=CC CNP0584937.0 [1,0,0,0,0,0|0,0,3]=4 78 B3R0.1 C=CCC CNP0490956.0 [1,0,0,0,0,0|0,0,2]=3 79 B3R0.1 C=CCN CNP0585503.0 [1,0,0,0,0,0|0,0,2]=3 80 B3R0.1 C=CCO CNP0561492.0 [1,0,0,0,0,0|1,0,2]=4 81 B3R0.1 C=CCS CNP0575677.0 [1,0,0,0,0,0|1,0,2]=4 82 B3R0.1 C=COC CNP0611794.0 [1,0,0,0,0,0|1,0,2]=4 83 B3R0.1 CC#CC CNP0556029.0 [1,0,0,0,0,0|0,0,2]=3 84 B3R0.1 CC=CBr CNP0509639.0 [1,0,0,0,0,0|1,0,2]=4 85 B3R0.1 CC=CC CNP0597271.0 [1,0,0,0,0,0|0,0,2]=3 86 B3R0.1 CC=CS CNP0589530.0 [1,0,0,0,0,0|1,0,2]=4 87 B3R0.1 CC=NO CNP0512137.0 [1,0,0,0,0,0|2,0,1]=4 88 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [1,0,0,0,0,0|1,0,2]=4 89 B3R0.1 CCC#N CNP0564998.0 [1,0,0,0,0,0|0,0,2]=3 90 B3R0.1 CCC=O CNP0570013.0 [1,0,0,0,0,0|1,0,1]=3 91 B3R0.1 CCC=S CNP0546828.0 [1,0,0,0,0,0|1,0,1]=3 92 B3R0.1 CCCBr CNP0561445.0 [1,0,0,0,0,0|1,0,0]=2 93 B3R0.1 CCCC CNP0597736.0 [1,0,0,0,0,0|0,0,0]=1 94 B3R0.1 CCCI CNP0596010.0 [1,0,0,0,0,0|1,0,0]=2 95 B3R0.1 CCCN CNP0600530.0 [1,0,0,0,0,0|0,0,0]=1 96 B3R0.1 CCCO CNP0605151.0 [1,0,0,0,0,0|1,0,0]=2 97 B3R0.1 CCCS CNP0572992.0 [1,0,0,0,0,0|1,0,0]=2 98 B3R0.1 CCN=O CNP0552947.0 [1,0,0,0,0,0|2,0,0]=3 99 B3R0.1 CCNC CNP0563252.0 [1,0,0,0,0,0|1,0,0]=2 100 B3R0.1 CCOC CNP0484105.0 [1,0,0,0,0,0|1,0,0]=2 101 B3R0.1 CCOO CNP0591807.0 [1,0,0,0,0,0|2,0,0]=3 102 B3R0.1 CCSC CNP0596541.0 [1,0,0,0,0,0|1,0,0]=2 103 B3R0.1 CCSO CNP0559716.0 [1,0,0,0,0,0|2,0,0]=3 104 B3R0.1 CN=C=O CNP0542197.0 [1,0,0,0,0,0|2,0,1]=4 105 B3R0.1 CN=C=S CNP0601890.0 [1,0,0,0,0,0|2,0,1]=4 106 B3R0.1 CNC=O CNP0565671.0 [1,0,0,0,0,0|2,0,1]=4 107 B3R0.1 CNNC CNP0493834.0 [1,0,0,0,0,0|2,0,0]=3 108 B3R0.1 COC=O CNP0494242.0 [1,0,0,0,0,0|2,0,1]=4 109 B3R0.1 COOC CNP0610139.0 [1,0,0,0,0,0|2,0,0]=3 110 B3R0.1 CSC#N CNP0493602.0 [1,0,0,0,0,0|1,0,2]=4 111 B3R0.1 CSSC CNP0600942.0 [1,0,0,0,0,0|2,0,0]=3 112 B3R0.1 C[Se][Se]C CNP0508246.0 [1,0,0,0,0,0|2,0,0]=3 113 B3R0.1 ClCCBr CNP0493040.0 [1,0,0,0,0,0|2,0,0]=3 114 B3R0.1 ClCCCl CNP0592018.0 [1,0,0,0,0,0|2,0,0]=3 115 B3R0.1 N#CCI CNP0547629.0 [1,0,0,0,0,0|1,0,2]=4 116 B3R0.1 N#CCS CNP0566385.0 [1,0,0,0,0,0|1,0,2]=4 117 B3R0.1 N=CCN CNP0547283.0 [1,0,0,0,0,0|1,0,1]=3 118 B3R0.1 NC=CS CNP0577276.0 [1,0,0,0,0,0|1,0,2]=4 119 B3R0.1 NCC=O CNP0566697.0 [1,0,0,0,0,0|1,0,1]=3 120 B3R0.1 NCCN CNP0531974.0 [1,0,0,0,0,0|1,0,0]=2 121 B3R0.1 NCCO CNP0581653.0 [1,0,0,0,0,0|1,0,0]=2 122 B3R0.1 NCCS CNP0490978.0 [1,0,0,0,0,0|1,0,0]=2 123 B3R0.1 NCC[O] CNP0586934.0 [1,0,0,0,0,0|1,0,0]=2 124 B3R0.1 NNC=O CNP0501881.0 [1,0,0,0,0,0|2,0,1]=4 125 B3R0.1 O=CCBr CNP0516788.0 [1,0,0,0,0,0|2,0,1]=4 126 B3R0.1 O=CCO CNP0600524.0 [1,0,0,0,0,0|2,0,1]=4 127 B3R0.1 O=CCS CNP0591045.0 [1,0,0,0,0,0|2,0,1]=4 128 B3R0.1 OCCCl CNP0532317.0 [1,0,0,0,0,0|2,0,0]=3 129 B3R0.1 OCCI CNP0489668.0 [1,0,0,0,0,0|2,0,0]=3 130 B3R0.1 OCCO CNP0484938.0 [1,0,0,0,0,0|2,0,0]=3 131 B3R0.1 OCCS CNP0576505.0 [1,0,0,0,0,0|2,0,0]=3 132 B3R0.1 SCCS CNP0506336.0 [1,0,0,0,0,0|2,0,0]=3 133 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,1,0,0,0,0|1,0,2]=4 134 B5R0.1 C=C(C)CCC CNP0179329.0 [0,1,0,0,0,0|1,0,1]=3 135 B5R0.1 C=C(C)CCO CNP0285127.0 [0,1,0,0,0,0|1,0,1]=3 136 B5R0.1 C=C(O)CCC CNP0003382.0 [0,1,0,0,0,0|1,0,1]=3 137 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,1,0,0,0,0|1,0,2]=4 138 B5R0.1 C=CCC(=O)N CNP0292806.0 [0,1,0,0,0,0|0,0,3]=4 139 B5R0.1 C=CCC(C)C CNP0293683.0 [0,1,0,0,0,0|1,0,1]=3 140 B5R0.1 C=CCC(C)O CNP0594112.0 [0,1,0,0,0,0|1,0,1]=3 141 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.1 C=COC(C)C CNP0491165.0 [0,1,0,0,0,0|2,0,1]=4 144 B5R0.1 CC(=CCO)C CNP0241702.0 [0,1,0,0,0,0|1,0,2]=4 145 B5R0.1 CC(=CCS)C CNP0262600.0 [0,1,0,0,0,0|1,0,2]=4 146 B5R0.1 CC(=O)CCO CNP0251527.0 [0,1,0,0,0,0|1,0,1]=3 147 B5R0.1 CC(=O)CCS CNP0404753.0 [0,1,0,0,0,0|1,0,1]=3 148 B5R0.1 CC(=O)OCS CNP0547679.0 [0,1,0,0,0,0|2,0,1]=4 149 B5R0.1 CC(C)C=CO CNP0546358.0 [0,1,0,0,0,0|1,0,2]=4 150 B5R0.1 CC(C)C=NO CNP0180575.0 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.1 CC(C)CC#N CNP0003467.0 [0,1,0,0,0,0|0,0,2]=3 152 B5R0.1 CC(C)CC=O CNP0200023.0 [0,1,0,0,0,0|1,0,1]=3 153 B5R0.1 CC(C)CCN CNP0107663.0 [0,1,0,0,0,0|0,0,0]=1 154 B5R0.1 CC(C)CCO CNP0115711.0 [0,1,0,0,0,0|1,0,0]=2 155 B5R0.1 CC(C)CCS CNP0222694.0 [0,1,0,0,0,0|1,0,0]=2 156 B5R0.1 CC(C)CNO CNP0343206.0 [0,1,0,0,0,0|2,0,0]=3 157 B5R0.1 CC(C)N=C=O CNP0495487.0 [0,1,0,0,0,0|2,0,1]=4 158 B5R0.1 CC(C)N=C=S CNP0332549.0 [0,1,0,0,0,0|2,0,1]=4 159 B5R0.1 CC(C)OC=O CNP0079775.0 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.1 CC(C)ON=N CNP0504626.0 [0,1,0,0,0,0|2,0,1]=4 161 B5R0.1 CC(O)CCS CNP0002409.0 [0,1,0,0,0,0|1,0,0]=2 162 B5R0.1 CC(S)CCS CNP0003105.0 [0,1,0,0,0,0|1,0,0]=2 163 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,1,0,0,0,0|0,0,3]=4 164 B5R0.1 CC=CC(=S)N CNP0219494.0 [0,1,0,0,0,0|0,0,3]=4 165 B5R0.1 CC=CC(C)C CNP0513218.0 [0,1,0,0,0,0|1,0,2]=4 166 B5R0.1 CC=CC(C)O CNP0150168.0 [0,1,0,0,0,0|1,0,2]=4 167 B5R0.1 CCC=C(C)C CNP0331653.0 [0,1,0,0,0,0|1,0,2]=4 168 B5R0.1 CCC=C(C)O CNP0225775.0 [0,1,0,0,0,0|1,0,2]=4 169 B5R0.1 CCCC(=O)C CNP0169448.0 [0,1,0,0,0,0|1,0,1]=3 170 B5R0.1 CCCC(=O)N CNP0115101.0 [0,1,0,0,0,0|0,0,1]=2 171 B5R0.1 CCCC(=O)O CNP0259447.0 [0,1,0,0,0,0|1,0,1]=3 172 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,1,0,0,0,0|1,0,1]=3 173 B5R0.1 CCCC(C)C CNP0319065.0 [0,1,0,0,0,0|1,0,0]=2 174 B5R0.1 CCCC(C)S CNP0029638.0 [0,1,0,0,0,0|1,0,0]=2 175 B5R0.1 CCCC(O)O CNP0076336.0 [0,1,0,0,0,0|1,0,0]=2 176 B5R0.1 CCCS(=S)O CNP0558357.0 [0,1,0,0,0,0|2,0,0]=3 177 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,1,0,0,0,0|1,0,0]=2 178 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,1,0,0,0,0|1,0,0]=2 179 B5R0.1 CCNC(=O)C CNP0260078.0 [0,1,0,0,0,0|2,0,1]=4 180 B5R0.1 CCNC(=S)N CNP0415621.0 [0,1,0,0,0,0|1,0,1]=3 181 B5R0.1 CCOC(=O)C CNP0322418.0 [0,1,0,0,0,0|2,0,1]=4 182 B5R0.1 CCOC(=O)N CNP0336700.0 [0,1,0,0,0,0|1,0,1]=3 183 B5R0.1 CCOC(=O)O CNP0166515.0 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.1 CCOC(C)C CNP0604172.0 [0,1,0,0,0,0|2,0,0]=3 185 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,1,0,0,0,0|2,0,1]=4 186 B5R0.1 CCSC(=N)N CNP0528738.0 [0,1,0,0,0,0|1,0,1]=3 187 B5R0.1 CCSC(=O)C CNP0274861.0 [0,1,0,0,0,0|2,0,1]=4 188 B5R0.1 CCSC(C)C CNP0254931.0 [0,1,0,0,0,0|2,0,0]=3 189 B5R0.1 CCSC(C)S CNP0579398.0 [0,1,0,0,0,0|2,0,0]=3 190 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [0,1,0,0,0,0|1,0,1]=3 191 B5R0.1 CN(C)CC#N CNP0084986.0 [0,1,0,0,0,0|1,0,2]=4 192 B5R0.1 CN(C)CCCl CNP0328789.0 [0,1,0,0,0,0|2,0,0]=3 193 B5R0.1 CN(C)CCO CNP0230038.0 [0,1,0,0,0,0|2,0,0]=3 194 B5R0.1 CN=CC(C)C CNP0149349.0 [0,1,0,0,0,0|2,0,1]=4 195 B5R0.1 CNCC(=O)O CNP0307073.0 [0,1,0,0,0,0|2,0,1]=4 196 B5R0.1 CNCC(=O)O CNP0563704.0 [0,1,0,0,0,0|2,0,1]=4 197 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,1,0,0,0,0|2,0,1]=4 198 B5R0.1 CNCC(C)C CNP0273998.0 [0,1,0,0,0,0|2,0,0]=3 199 B5R0.1 COCC(=O)C CNP0581024.0 [0,1,0,0,0,0|2,0,1]=4 200 B5R0.1 COCC(=O)O CNP0343219.0 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.1 COCC(C)C CNP0528468.0 [0,1,0,0,0,0|2,0,0]=3 202 B5R0.1 CSCC(=O)C CNP0002513.0 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.1 CSCC(=O)O CNP0447839.0 [0,1,0,0,0,0|2,0,1]=4 204 B5R0.1 CSCC(C)C CNP0405087.0 [0,1,0,0,0,0|2,0,0]=3 205 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [0,1,0,0,0,0|3,0,0]=4 206 B5R0.1 CSSC(C)C CNP0267830.0 [0,1,0,0,0,0|3,0,0]=4 207 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [0,1,0,0,0,0|0,0,2]=3 208 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,1,0,0,0,0|1,0,1]=3 209 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,1,0,0,0,0|1,0,0]=2 210 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,1,0,0,0,0|1,0,0]=2 211 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [0,1,0,0,0,0|3,0,0]=4 212 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [0,1,0,0,0,0|2,0,1]=4 213 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [0,1,0,0,0,0|2,0,1]=4 214 B5R0.1 N#CCC(=O)N CNP0086390.0 [0,1,0,0,0,0|1,0,2]=4 215 B5R0.1 NCCC(=O)O CNP0226336.0 [0,1,0,0,0,0|1,0,1]=3 216 B5R0.1 NCCP(=O)O CNP0498602.0 [0,1,0,0,0,0|2,0,0]=3 217 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [0,1,0,0,0,0|2,0,0]=3 218 B5R0.1 NCC[S@](=O)O CNP0211926.1 [0,1,0,0,0,0|2,0,0]=3 219 B5R0.1 NCNC(=O)N CNP0046326.0 [0,1,0,0,0,0|2,0,1]=4 220 B5R0.1 NOCC(=O)O CNP0293826.0 [0,1,0,0,0,0|2,0,1]=4 221 B5R0.1 O=C(O)CCO CNP0228379.0 [0,1,0,0,0,0|2,0,1]=4 222 B5R0.1 O=C(O)CCS CNP0097385.0 [0,1,0,0,0,0|2,0,1]=4 223 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,1,0,0,0,0|3,0,0]=4 224 B5R0.2 C=CC=CCC CNP0495438.0 [0,1,0,0,0,0|1,0,2]=4 225 B5R0.2 C=CCC=CC CNP0292090.0 [0,1,0,0,0,0|1,0,2]=4 226 B5R0.2 C=CCCC#N CNP0248596.0 [0,1,0,0,0,0|0,0,3]=4 227 B5R0.2 C=CCCC=C CNP0079781.0 [0,1,0,0,0,0|1,0,2]=4 228 B5R0.2 C=CCCC=O CNP0076959.0 [0,1,0,0,0,0|1,0,2]=4 229 B5R0.2 C=CCCCC CNP0264947.0 [0,1,0,0,0,0|1,0,0]=2 230 B5R0.2 C=CCCCO CNP0003396.0 [0,1,0,0,0,0|1,0,1]=3 231 B5R0.2 C=CCSCC CNP0261096.0 [0,1,0,0,0,0|1,0,1]=3 232 B5R0.2 C=CCSSC CNP0333880.0 [0,1,0,0,0,0|2,0,1]=4 233 B5R0.2 C=CSSCC CNP0003136.0 [0,1,0,0,0,0|2,0,1]=4 234 B5R0.2 CC#CCCO CNP0515871.0 [0,1,0,0,0,0|1,0,1]=3 235 B5R0.2 CC=C=CCO CNP0426440.0 [0,1,0,0,0,0|1,0,2]=4 236 B5R0.2 CC=CCC#N CNP0080085.0 [0,1,0,0,0,0|0,0,3]=4 237 B5R0.2 CC=CCC=O CNP0167409.0 [0,1,0,0,0,0|1,0,2]=4 238 B5R0.2 CC=CCCC CNP0419577.0 [0,1,0,0,0,0|1,0,1]=3 239 B5R0.2 CC=CCCO CNP0253382.0 [0,1,0,0,0,0|1,0,1]=3 240 B5R0.2 CCC#CCO CNP0076027.0 [0,1,0,0,0,0|1,0,1]=3 241 B5R0.2 CCC=CC#N CNP0080058.0 [0,1,0,0,0,0|0,0,3]=4 242 B5R0.2 CCC=CC=O CNP0328747.0 [0,1,0,0,0,0|1,0,2]=4 243 B5R0.2 CCC=CCO CNP0239009.0 [0,1,0,0,0,0|1,0,1]=3 244 B5R0.2 CCC=CSC CNP0068372.0 [0,1,0,0,0,0|1,0,2]=4 245 B5R0.2 CCC=CSO CNP0458289.0 [0,1,0,0,0,0|1,0,2]=4 246 B5R0.2 CCC=NNC CNP0543863.0 [0,1,0,0,0,0|1,0,1]=3 247 B5R0.2 CCCC=CO CNP0247153.0 [0,1,0,0,0,0|1,0,1]=3 248 B5R0.2 CCCC=NO CNP0071145.0 [0,1,0,0,0,0|0,0,2]=3 249 B5R0.2 CCCCC#N CNP0357663.0 [0,1,0,0,0,0|0,0,1]=2 250 B5R0.2 CCCCC=O CNP0361186.0 [0,1,0,0,0,0|1,0,0]=2 251 B5R0.2 CCCCCBr CNP0018690.0 [0,1,0,0,0,0|1,0,0]=2 252 B5R0.2 CCCCCC CNP0269021.0 [0,1,0,0,0,0|1,0,0]=2 253 B5R0.2 CCCCCI CNP0017763.0 [0,1,0,0,0,0|1,0,0]=2 254 B5R0.2 CCCCCN CNP0203183.0 [0,1,0,0,0,0|0,0,0]=1 255 B5R0.2 CCCCCO CNP0244882.0 [0,1,0,0,0,0|1,0,0]=2 256 B5R0.2 CCCCCS CNP0260876.0 [0,1,0,0,0,0|1,0,0]=2 257 B5R0.2 CCCCNC CNP0277639.0 [0,1,0,0,0,0|0,0,0]=1 258 B5R0.2 CCCCOC CNP0609033.0 [0,1,0,0,0,0|1,0,0]=2 259 B5R0.2 CCCCSC CNP0562965.0 [0,1,0,0,0,0|1,0,0]=2 260 B5R0.2 CCCC[S+]=O CNP0521772.0 [0,1,0,0,0,0|1,0,0]=2 261 B5R0.2 CCCN=C=S CNP0077279.0 [0,1,0,0,0,0|1,0,1]=3 262 B5R0.2 CCCOC=O CNP0326097.0 [0,1,0,0,0,0|1,0,1]=3 263 B5R0.2 CCCSC#N CNP0395197.0 [0,1,0,0,0,0|0,0,2]=3 264 B5R0.2 CCCSCC CNP0316215.0 [0,1,0,0,0,0|1,0,0]=2 265 B5R0.2 CCCSSC CNP0296815.0 [0,1,0,0,0,0|2,0,0]=3 266 B5R0.2 CCNCCN CNP0281269.0 [0,1,0,0,0,0|0,0,0]=1 267 B5R0.2 CCNCCO CNP0396370.0 [0,1,0,0,0,0|1,0,0]=2 268 B5R0.2 CCOCC#N CNP0184632.0 [0,1,0,0,0,0|0,0,2]=3 269 B5R0.2 CCOCCO CNP0319988.0 [0,1,0,0,0,0|1,0,0]=2 270 B5R0.2 CCSCCN CNP0506731.0 [0,1,0,0,0,0|0,0,0]=1 271 B5R0.2 CCSSCC CNP0416624.0 [0,1,0,0,0,0|2,0,0]=3 272 B5R0.2 CCSSSC CNP0407481.0 [0,1,0,0,0,0|3,0,0]=4 273 B5R0.2 CNCCNC CNP0480039.0 [0,1,0,0,0,0|1,0,0]=2 274 B5R0.2 COCCOC CNP0144142.0 [0,1,0,0,0,0|2,0,0]=3 275 B5R0.2 CSCCC=O CNP0136743.0 [0,1,0,0,0,0|1,0,1]=3 276 B5R0.2 CSCCCN CNP0348726.0 [0,1,0,0,0,0|0,0,0]=1 277 B5R0.2 CSCCCO CNP0359993.0 [0,1,0,0,0,0|1,0,0]=2 278 B5R0.2 CSCSSC CNP0313036.0 [0,1,0,0,0,0|3,0,0]=4 279 B5R0.2 N#CCCC#N CNP0194793.0 [0,1,0,0,0,0|0,0,3]=4 280 B5R0.2 N#CCCC=O CNP0181263.0 [0,1,0,0,0,0|0,0,3]=4 281 B5R0.2 N#CCCCO CNP0358912.0 [0,1,0,0,0,0|0,0,2]=3 282 B5R0.2 NCCCC=O CNP0359033.0 [0,1,0,0,0,0|0,0,1]=2 283 B5R0.2 NCCCCN CNP0116270.0 [0,1,0,0,0,0|0,0,0]=1 284 B5R0.2 NCCCCO CNP0514594.0 [0,1,0,0,0,0|0,0,0]=1 285 B5R0.2 O=CCCC=O CNP0053830.0 [0,1,0,0,0,0|1,0,2]=4 286 B5R0.2 OCC=CCO CNP0296138.0 [0,1,0,0,0,0|1,0,2]=4 287 B5R0.2 OCCCCBr CNP0083982.0 [0,1,0,0,0,0|1,0,0]=2 288 B5R0.2 OCCCCCl CNP0079807.0 [0,1,0,0,0,0|1,0,0]=2 289 B5R0.2 OCCCCO CNP0080008.0 [0,1,0,0,0,0|1,0,0]=2 290 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [0,1,0,0,0,0|0,0,1]=2 291 B5R0.3 C=C(C#N)CC CNP0541651.0 [0,1,0,0,0,0|0,0,3]=4 292 B5R0.3 C=C(C=O)CC CNP0542605.0 [0,1,0,0,0,0|1,0,2]=4 293 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,1,0,0,0,0|1,0,2]=4 294 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,1,0,0,0,0|1,0,1]=3 295 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,1,0,0,0,0|1,0,2]=4 296 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,1,0,0,0,0|1,0,1]=3 297 B5R0.3 CC(CO)CO CNP0282467.0 [0,1,0,0,0,0|2,0,0]=3 298 B5R0.3 CC=C(C)CC CNP0247687.0 [0,1,0,0,0,0|1,0,2]=4 299 B5R0.3 CC=C(C)CO CNP0120418.0 [0,1,0,0,0,0|1,0,2]=4 300 B5R0.3 CCC(=CS)C CNP0025997.0 [0,1,0,0,0,0|1,0,2]=4 301 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,1,0,0,0,0|1,0,2]=4 302 B5R0.3 CCC(=O)CC CNP0270305.0 [0,1,0,0,0,0|1,0,1]=3 303 B5R0.3 CCC(=O)CO CNP0165007.0 [0,1,0,0,0,0|1,0,1]=3 304 B5R0.3 CCC(=O)NN CNP0281170.0 [0,1,0,0,0,0|1,0,1]=3 305 B5R0.3 CCC(=O)OC CNP0166631.0 [0,1,0,0,0,0|2,0,1]=4 306 B5R0.3 CCC(=O)SC CNP0240172.0 [0,1,0,0,0,0|2,0,1]=4 307 B5R0.3 CCC(C)CC CNP0316485.0 [0,1,0,0,0,0|1,0,0]=2 308 B5R0.3 CCC(C)CS CNP0003009.0 [0,1,0,0,0,0|1,0,0]=2 309 B5R0.3 CCC(N)CC CNP0103985.0 [0,1,0,0,0,0|1,0,0]=2 310 B5R0.3 CCC(N)NC CNP0278870.0 [0,1,0,0,0,0|2,0,0]=3 311 B5R0.3 CCC(O)CC CNP0293075.0 [0,1,0,0,0,0|1,0,0]=2 312 B5R0.3 CCC(O)CCl CNP0366953.0 [0,1,0,0,0,0|1,0,0]=2 313 B5R0.3 CCC(O)CO CNP0534149.0 [0,1,0,0,0,0|1,0,0]=2 314 B5R0.3 CCC(S)CS CNP0197461.0 [0,1,0,0,0,0|1,0,0]=2 315 B5R0.3 CCC(S)SC CNP0609154.0 [0,1,0,0,0,0|2,0,0]=3 316 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,1,0,0,0,0|1,0,1]=3 317 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,1,0,0,0,0|1,0,0]=2 318 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [0,1,0,0,0,0|0,0,2]=3 319 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,1,0,0,0,0|1,0,1]=3 320 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,1,0,0,0,0|0,0,0]=1 321 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,1,0,0,0,0|1,0,0]=2 322 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,1,0,0,0,0|2,0,0]=3 323 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,1,0,0,0,0|2,0,0]=3 324 B5R0.3 CC[S](C)CC CNP0523180.0 [0,1,0,0,0,0|2,0,0]=3 325 B5R0.3 COC(=O)CI CNP0017842.0 [0,1,0,0,0,0|2,0,1]=4 326 B5R0.3 COC(=O)NN CNP0033099.0 [0,1,0,0,0,0|2,0,1]=4 327 B5R0.3 COC(C)CO CNP0485411.0 [0,1,0,0,0,0|2,0,0]=3 328 B5R0.3 COC(C)OC CNP0122626.0 [0,1,0,0,0,0|3,0,0]=4 329 B5R0.3 CSC(C)SC CNP0610569.0 [0,1,0,0,0,0|3,0,0]=4 330 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [0,1,0,0,0,0|2,0,0]=3 331 B5R0.3 NC(CO)CO CNP0535001.0 [0,1,0,0,0,0|2,0,0]=3 332 B5R0.3 NCC(=O)NO CNP0470573.0 [0,1,0,0,0,0|2,0,1]=4 333 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,1,0,0,0,0|2,0,1]=4 334 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,1,0,0,0,0|2,0,1]=4 335 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,1,0,0,0,0|2,0,1]=4 336 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,1,0,0,0,0|2,0,1]=4 337 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,1,0,0,0,0|2,0,1]=4 338 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,1,0,0,0,0|2,0,1]=4 339 B5R0.3 O=C(CO)CO CNP0303926.0 [0,1,0,0,0,0|2,0,1]=4 340 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,1,0,0,0,0|2,0,1]=4 341 B5R0.3 OC(CBr)CBr CNP0017512.0 [0,1,0,0,0,0|2,0,0]=3 342 B5R0.3 OC(CCl)CCl CNP0294183.0 [0,1,0,0,0,0|2,0,0]=3 343 B5R0.3 OC(CI)CI CNP0161531.0 [0,1,0,0,0,0|2,0,0]=3 344 B5R0.3 OC(CP)CP CNP0345632.0 [0,1,0,0,0,0|1,1,0]=3 345 B5R0.3 OCC(O)CCl CNP0334066.0 [0,1,0,0,0,0|2,0,0]=3 346 B5R0.3 OCC(O)CO CNP0259986.0 [0,1,0,0,0,0|2,0,0]=3 347 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,1,0,0,0,0|2,0,0]=3 348 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [0,1,0,0,0,0|2,0,0]=3 349 B5R0.3 OC[C@H](O)CI CNP0103876.1 [0,1,0,0,0,0|2,0,0]=3 350 B5R0.3 OC[C@H](S)CS CNP0341544.2 [0,1,0,0,0,0|2,0,0]=3 351 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [0,1,0,0,0,0|2,0,0]=3 352 B5R0.3 PCC(P)CP CNP0345634.0 [0,1,0,0,0,0|1,1,0]=3 353 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,1,0,0,0,0|2,0,1]=4 354 B5R1.1 C1=CCCC1 CNP0534738.0 [0,0,0,1,0,0|1,0,1]=3 355 B5R1.1 C1=CCOC1 CNP0579994.0 [0,0,0,1,0,0|1,0,2]=4 356 B5R1.1 C1=CNCC1 CNP0527065.0 [0,0,0,1,0,0|0,0,2]=3 357 B5R1.1 C1=COCC1 CNP0540644.0 [0,0,0,1,0,0|1,0,2]=4 358 B5R1.1 C1=CSCC1 CNP0496655.0 [0,0,0,1,0,0|1,0,2]=4 359 B5R1.1 C1=NCCC1 CNP0581055.0 [0,0,0,1,0,0|0,0,2]=3 360 B5R1.1 C1=PCCC1 CNP0609027.0 [0,0,0,1,0,0|0,1,1]=3 361 B5R1.1 C1CCCC1 CNP0566364.0 [0,0,0,1,0,0|1,0,0]=2 362 B5R1.1 C1CCNC1 CNP0572990.0 [0,0,0,1,0,0|0,0,0]=1 363 B5R1.1 C1CCOC1 CNP0507941.0 [0,0,0,1,0,0|1,0,0]=2 364 B5R1.1 C1CCPC1 CNP0598418.0 [0,0,0,1,0,0|0,1,0]=2 365 B5R1.1 C1CCSC1 CNP0569262.0 [0,0,0,1,0,0|1,0,0]=2 366 B5R1.1 C1COCO1 CNP0568859.0 [0,0,0,1,0,0|2,0,0]=3 367 B5R1.1 C1CSCN1 CNP0561874.0 [0,0,0,1,0,0|1,0,0]=2 368 B5R1.1 C1CSSC1 CNP0501166.0 [0,0,0,1,0,0|2,0,0]=3 369 B5R1.1 C1SCSS1 CNP0507701.0 [0,0,0,1,0,0|3,0,0]=4 370 B5R1.2 CC1CCC1 CNP0546383.0 [0,0,0,1,0,0|1,0,0]=2 371 B5R1.2 NC1CCC1 CNP0609061.0 [0,0,0,1,0,0|0,0,0]=1 372 B5R1.2 O=C1CCO1 CNP0555602.0 [0,0,0,1,0,0|2,0,1]=4 373 B5R1.2 OC1CCC1 CNP0562500.0 [0,0,0,1,0,0|1,0,0]=2 374 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [0,0,0,1,0,0|2,0,0]=3 375 B5R1.3 CC=C1CC1 CNP0594561.0 [0,0,0,1,0,0|1,0,2]=4 376 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [0,0,0,1,0,0|2,0,0]=3 377 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [0,0,0,1,0,0|2,0,0]=3 378 B5R1.3 OCC1CC1 CNP0604045.0 [0,0,0,1,0,0|1,0,0]=2 379 B5R1.3 OCC1CO1 CNP0517243.0 [0,0,0,1,0,0|2,0,0]=3 380 B5R1.4 CC1OC1C CNP0609093.0 [0,0,0,1,0,0|2,0,0]=3 381 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [0,0,0,1,0,0|2,0,0]=3 382 B2R0.1 BrCBr CNP0494232.0 [2,0,0,0,0,0|2,0,0]=4 383 B2R0.1 BrCI CNP0594254.0 [2,0,0,0,0,0|2,0,0]=4 384 B2R0.1 C=CC CNP0522895.0 [2,0,0,0,0,0|0,0,2]=4 385 B2R0.1 CC#N CNP0510997.0 [2,0,0,0,0,0|0,0,2]=4 386 B2R0.1 CC=O CNP0566693.0 [2,0,0,0,0,0|1,0,1]=4 387 B2R0.1 CCBr CNP0511569.0 [2,0,0,0,0,0|1,0,0]=3 388 B2R0.1 CCC CNP0529348.0 [2,0,0,0,0,0|0,0,0]=2 389 B2R0.1 CCCl CNP0605324.0 [2,0,0,0,0,0|1,0,0]=3 390 B2R0.1 CCI CNP0562236.0 [2,0,0,0,0,0|1,0,0]=3 391 B2R0.1 CCN CNP0561286.0 [2,0,0,0,0,0|0,0,0]=2 392 B2R0.1 CCO CNP0546367.0 [2,0,0,0,0,0|1,0,0]=3 393 B2R0.1 CCS CNP0491795.0 [2,0,0,0,0,0|1,0,0]=3 394 B2R0.1 CN=N CNP0513298.0 [2,0,0,0,0,0|1,0,1]=4 395 B2R0.1 CNC CNP0491602.0 [2,0,0,0,0,0|1,0,0]=3 396 B2R0.1 CNN CNP0609070.0 [2,0,0,0,0,0|1,0,0]=3 397 B2R0.1 COC CNP0580850.0 [2,0,0,0,0,0|1,0,0]=3 398 B2R0.1 CON CNP0566773.0 [2,0,0,0,0,0|1,0,0]=3 399 B2R0.1 CPC CNP0528872.0 [2,0,0,0,0,0|1,0,0]=3 400 B2R0.1 CSC CNP0569922.0 [2,0,0,0,0,0|1,0,0]=3 401 B2R0.1 CSS CNP0611991.0 [2,0,0,0,0,0|2,0,0]=4 402 B2R0.1 C[C]=O CNP0538355.0 [2,0,0,0,0,0|1,0,1]=4 403 B2R0.1 C[C]O CNP0601692.0 [2,0,0,0,0,0|1,0,1]=4 404 B2R0.1 C[Se]C CNP0500399.0 [2,0,0,0,0,0|1,0,0]=3 405 B2R0.1 C[Te]C CNP0483858.0 [2,0,0,0,0,0|1,0,0]=3 406 B2R0.1 ClCBr CNP0528283.0 [2,0,0,0,0,0|2,0,0]=4 407 B2R0.1 ClCCl CNP0529345.0 [2,0,0,0,0,0|2,0,0]=4 408 B2R0.1 ClCI CNP0600514.0 [2,0,0,0,0,0|2,0,0]=4 409 B2R0.1 ICI CNP0526769.0 [2,0,0,0,0,0|2,0,0]=4 410 B2R0.1 N#CN CNP0538292.0 [2,0,0,0,0,0|1,0,1]=4 411 B2R0.1 NC=O CNP0569834.0 [2,0,0,0,0,0|1,0,1]=4 412 B2R0.1 NN=O CNP0610110.0 [2,0,0,0,0,0|2,0,0]=4 413 B2R0.1 OCO CNP0551435.0 [2,0,0,0,0,0|2,0,0]=4 414 B2R0.1 SCS CNP0488241.0 [2,0,0,0,0,0|2,0,0]=4 415 B2R0.1 [C-]#[N+]C CNP0561919.0 [2,0,0,0,0,0|1,0,1]=4 416 B2R0.1 [CH-]=CC CNP0546792.0 [2,0,0,0,0,0|0,0,2]=4 417 B2R0.1 [CH2]CC CNP0535049.0 [2,0,0,0,0,0|0,0,1]=3 418 B4R0.1 C#CC(C)C CNP0586699.0 [1,1,0,0,0,0|0,0,2]=4 419 B4R0.1 C=C(C)CC CNP0605035.0 [1,1,0,0,0,0|0,0,1]=3 420 B4R0.1 C=C(C)CO CNP0505353.0 [1,1,0,0,0,0|1,0,1]=4 421 B4R0.1 C=CC(C)C CNP0589769.0 [1,1,0,0,0,0|0,0,2]=4 422 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,1,0,0,0,0|0,0,2]=4 423 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,1,0,0,0,0|0,0,2]=4 424 B4R0.1 CC(=O)CBr CNP0602861.0 [1,1,0,0,0,0|1,0,1]=4 425 B4R0.1 CC(=O)CI CNP0515381.0 [1,1,0,0,0,0|1,0,1]=4 426 B4R0.1 CC(=O)CN CNP0602829.0 [1,1,0,0,0,0|0,0,1]=3 427 B4R0.1 CC(=O)CO CNP0487266.0 [1,1,0,0,0,0|1,0,1]=4 428 B4R0.1 CC(=O)CS CNP0514893.0 [1,1,0,0,0,0|1,0,1]=4 429 B4R0.1 CC(=O)NN CNP0503904.0 [1,1,0,0,0,0|1,0,1]=4 430 B4R0.1 CC(C)C=O CNP0511471.0 [1,1,0,0,0,0|1,0,1]=4 431 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,1,0,0,0,0|1,0,1]=4 432 B4R0.1 CC(C)CN CNP0490050.0 [1,1,0,0,0,0|0,0,0]=2 433 B4R0.1 CC(C)CO CNP0493868.0 [1,1,0,0,0,0|1,0,0]=3 434 B4R0.1 CC(C)CS CNP0494383.0 [1,1,0,0,0,0|1,0,0]=3 435 B4R0.1 CC(N)C#N CNP0567528.0 [1,1,0,0,0,0|0,0,2]=4 436 B4R0.1 CC(N)C=O CNP0531209.0 [1,1,0,0,0,0|1,0,1]=4 437 B4R0.1 CC(N)CN CNP0579261.0 [1,1,0,0,0,0|0,0,0]=2 438 B4R0.1 CC(S)CS CNP0488983.0 [1,1,0,0,0,0|1,0,0]=3 439 B4R0.1 CC=C(C)C CNP0502707.0 [1,1,0,0,0,0|0,0,2]=4 440 B4R0.1 CCC(=N)S CNP0544659.0 [1,1,0,0,0,0|0,0,2]=4 441 B4R0.1 CCC(=O)Br CNP0583620.0 [1,1,0,0,0,0|1,0,1]=4 442 B4R0.1 CCC(=O)C CNP0486447.0 [1,1,0,0,0,0|0,0,1]=3 443 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,1,0,0,0,0|1,0,1]=4 444 B4R0.1 CCC(=O)I CNP0549008.0 [1,1,0,0,0,0|1,0,1]=4 445 B4R0.1 CCC(=O)N CNP0512752.0 [1,1,0,0,0,0|0,0,1]=3 446 B4R0.1 CCC(=O)O CNP0572679.0 [1,1,0,0,0,0|1,0,1]=4 447 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,1,0,0,0,0|1,0,1]=4 448 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,1,0,0,0,0|1,0,1]=4 449 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,1,0,0,0,0|1,0,1]=4 450 B4R0.1 CCC(C)C CNP0492867.0 [1,1,0,0,0,0|0,0,0]=2 451 B4R0.1 CCC(C)N CNP0520467.0 [1,1,0,0,0,0|0,0,0]=2 452 B4R0.1 CCC(O)O CNP0533578.0 [1,1,0,0,0,0|1,0,0]=3 453 B4R0.1 CCC(O)S CNP0612126.0 [1,1,0,0,0,0|1,0,0]=3 454 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,1,0,0,0,0|0,0,0]=2 455 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,1,0,0,0,0|0,0,0]=2 456 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,1,0,0,0,0|0,0,0]=2 457 B4R0.1 CN=C(N)N CNP0588415.0 [1,1,0,0,0,0|1,0,1]=4 458 B4R0.1 CNC(=N)N CNP0590894.0 [1,1,0,0,0,0|1,0,1]=4 459 B4R0.1 CNC(=O)C CNP0491397.0 [1,1,0,0,0,0|1,0,1]=4 460 B4R0.1 CNC(=O)N CNP0576116.0 [1,1,0,0,0,0|1,0,1]=4 461 B4R0.1 CNC(=S)N CNP0572685.0 [1,1,0,0,0,0|1,0,1]=4 462 B4R0.1 CNC(C)C CNP0489071.0 [1,1,0,0,0,0|1,0,0]=3 463 B4R0.1 COC(=O)C CNP0578880.0 [1,1,0,0,0,0|1,0,1]=4 464 B4R0.1 COC(=O)N CNP0575874.0 [1,1,0,0,0,0|1,0,1]=4 465 B4R0.1 CSC(=N)N CNP0572889.0 [1,1,0,0,0,0|1,0,1]=4 466 B4R0.1 CSC(=O)C CNP0491622.0 [1,1,0,0,0,0|1,0,1]=4 467 B4R0.1 CSC(C)C CNP0486491.0 [1,1,0,0,0,0|1,0,0]=3 468 B4R0.1 CSC(C)S CNP0497634.0 [1,1,0,0,0,0|1,0,0]=3 469 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,1,0,0,0,0|2,0,0]=4 470 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,1,0,0,0,0|2,0,0]=4 471 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,1,0,0,0,0|1,0,0]=3 472 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,1,0,0,0,0|1,0,0]=3 473 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [1,1,0,0,0,0|0,0,2]=4 474 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,1,0,0,0,0|1,0,1]=4 475 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,1,0,0,0,0|1,0,0]=3 476 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,1,0,0,0,0|1,0,0]=3 477 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,1,0,0,0,0|1,0,1]=4 478 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,1,0,0,0,0|1,0,0]=3 479 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,1,0,0,0,0|0,0,0]=2 480 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,1,0,0,0,0|1,0,0]=3 481 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [1,1,0,0,0,0|2,0,0]=4 482 B4R0.1 NC(=O)CCl CNP0572781.0 [1,1,0,0,0,0|1,0,1]=4 483 B4R0.1 NC(=O)CI CNP0573172.0 [1,1,0,0,0,0|1,0,1]=4 484 B4R0.1 NC(=O)CO CNP0610142.0 [1,1,0,0,0,0|1,0,1]=4 485 B4R0.1 NCC(=O)N CNP0542212.0 [1,1,0,0,0,0|1,0,1]=4 486 B4R0.1 NCC(=O)O CNP0563879.0 [1,1,0,0,0,0|1,0,1]=4 487 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,1,0,0,0,0|1,0,1]=4 488 B4R0.1 OCC(Cl)Cl CNP0479097.0 [1,1,0,0,0,0|2,0,0]=4 489 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [1,1,0,0,0,0|2,0,0]=4 490 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,2,0,0,0,0|1,0,0]=3 491 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,2,0,0,0,0|1,0,0]=3 492 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,2,0,0,0,0|1,0,1]=4 493 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,2,0,0,0,0|1,0,1]=4 494 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,2,0,0,0,0|1,0,1]=4 495 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,2,0,0,0,0|1,0,1]=4 496 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,2,0,0,0,0|1,0,1]=4 497 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,2,0,0,0,0|1,0,0]=3 498 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,2,0,0,0,0|1,0,1]=4 499 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,2,0,0,0,0|1,0,0]=3 500 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,2,0,0,0,0|0,0,2]=4 501 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,2,0,0,0,0|1,0,0]=3 502 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,2,0,0,0,0|1,0,1]=4 503 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,2,0,0,0,0|1,0,1]=4 504 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,2,0,0,0,0|1,0,1]=4 505 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,2,0,0,0,0|1,0,1]=4 506 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,2,0,0,0,0|0,0,2]=4 507 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,2,0,0,0,0|0,0,2]=4 508 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,2,0,0,0,0|1,0,1]=4 509 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,2,0,0,0,0|1,0,0]=3 510 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,2,0,0,0,0|1,0,0]=3 511 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,2,0,0,0,0|1,0,1]=4 512 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,2,0,0,0,0|1,0,1]=4 513 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,2,0,0,0,0|0,0,1]=3 514 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,2,0,0,0,0|1,0,0]=3 515 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,2,0,0,0,0|1,0,0]=3 516 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,2,0,0,0,0|1,0,0]=3 517 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,2,0,0,0,0|1,0,0]=3 518 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,2,0,0,0,0|1,0,0]=3 519 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,2,0,0,0,0|1,0,0]=3 520 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,2,0,0,0,0|1,0,0]=3 521 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,2,0,0,0,0|0,0,0]=2 522 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,2,0,0,0,0|1,0,0]=3 523 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,2,0,0,0,0|2,0,0]=4 524 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,2,0,0,0,0|1,0,1]=4 525 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,2,0,0,0,0|1,0,1]=4 526 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,2,0,0,0,0|1,0,1]=4 527 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,2,0,0,0,0|1,0,1]=4 528 B6R0.1 CCOC(C)CC CNP0086282.0 [0,2,0,0,0,0|1,0,0]=3 529 B6R0.1 CCOC(C)OC CNP0612171.0 [0,2,0,0,0,0|2,0,0]=4 530 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,2,0,0,0,0|2,0,0]=4 531 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,2,0,0,0,0|1,0,1]=4 532 B6R0.1 CCSC(C)SC CNP0611888.0 [0,2,0,0,0,0|2,0,0]=4 533 B6R0.1 CCSC(S)CC CNP0488688.0 [0,2,0,0,0,0|1,0,0]=3 534 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,2,0,0,0,0|1,0,0]=3 535 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,2,0,0,0,0|1,0,1]=4 536 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,2,0,0,0,0|2,0,0]=4 537 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,2,0,0,0,0|1,0,0]=3 538 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,2,0,0,0,0|1,0,1]=4 539 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,2,0,0,0,0|1,0,1]=4 540 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,2,0,0,0,0|1,0,0]=3 541 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,2,0,0,0,0|1,0,0]=3 542 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,2,0,0,0,0|1,0,1]=4 543 B6R0.1 NC(C=O)CC=O CNP0515395.0 [0,2,0,0,0,0|1,0,1]=4 544 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,2,0,0,0,0|0,0,0]=2 545 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,2,0,0,0,0|0,0,0]=2 546 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,2,0,0,0,0|1,0,0]=3 547 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,2,0,0,0,0|2,0,0]=4 548 B6R0.1 OC[C@@H](O)CSO CNP0536094.1 [0,2,0,0,0,0|2,0,0]=4 549 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,2,0,0,0,0|0,0,2]=4 550 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,2,0,0,0,0|1,0,1]=4 551 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,2,0,0,0,0|1,0,1]=4 552 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,2,0,0,0,0|1,0,1]=4 553 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,2,0,0,0,0|0,0,1]=3 554 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,2,0,0,0,0|1,0,0]=3 555 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,2,0,0,0,0|1,0,0]=3 556 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,2,0,0,0,0|0,0,0]=2 557 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,2,0,0,0,0|2,0,0]=4 558 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,2,0,0,0,0|2,0,0]=4 559 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,2,0,0,0,0|1,0,1]=4 560 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [0,2,0,0,0,0|1,0,1]=4 561 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,2,0,0,0,0|2,0,0]=4 562 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,2,0,0,0,0|1,0,1]=4 563 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,2,0,0,0,0|2,0,0]=4 564 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,2,0,0,0,0|0,0,1]=3 565 B6R0.2 CC(S)SC(C)S CNP0174729.0 [0,2,0,0,0,0|2,0,0]=4 566 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,2,0,0,0,0|1,0,1]=4 567 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,2,0,0,0,0|1,0,1]=4 568 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,2,0,0,0,0|1,0,1]=4 569 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,2,0,0,0,0|1,0,0]=3 570 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,2,0,0,0,0|1,0,1]=4 571 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,2,0,0,0,0|1,0,1]=4 572 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,2,0,0,0,0|1,0,1]=4 573 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,2,0,0,0,0|1,0,1]=4 574 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,2,0,0,0,0|1,0,1]=4 575 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,2,0,0,0,0|1,0,0]=3 576 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,2,0,0,0,0|1,0,1]=4 577 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,2,0,0,0,0|1,0,1]=4 578 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,2,0,0,0,0|1,0,1]=4 579 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,2,0,0,0,0|1,0,0]=3 580 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,2,0,0,0,0|0,0,2]=4 581 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,2,0,0,0,0|1,0,0]=3 582 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,2,0,0,0,0|1,0,0]=3 583 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,2,0,0,0,0|1,0,1]=4 584 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,2,0,0,0,0|1,0,1]=4 585 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,2,0,0,0,0|1,0,1]=4 586 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,2,0,0,0,0|0,0,1]=3 587 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,2,0,0,0,0|1,0,1]=4 588 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,2,0,0,0,0|1,0,1]=4 589 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,2,0,0,0,0|1,0,0]=3 590 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,2,0,0,0,0|1,0,0]=3 591 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,2,0,0,0,0|1,0,1]=4 592 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,2,0,0,0,0|1,0,0]=3 593 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,2,0,0,0,0|1,0,1]=4 594 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,2,0,0,0,0|1,0,1]=4 595 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,2,0,0,0,0|0,0,1]=3 596 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,2,0,0,0,0|1,0,1]=4 597 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,2,0,0,0,0|1,0,0]=3 598 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,2,0,0,0,0|1,0,0]=3 599 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,2,0,0,0,0|1,0,1]=4 600 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,2,0,0,0,0|1,0,1]=4 601 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,2,0,0,0,0|1,0,1]=4 602 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,2,0,0,0,0|1,0,1]=4 603 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,2,0,0,0,0|1,0,1]=4 604 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,2,0,0,0,0|0,0,1]=3 605 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,2,0,0,0,0|1,0,1]=4 606 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,2,0,0,0,0|1,0,0]=3 607 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,2,0,0,0,0|1,0,0]=3 608 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,2,0,0,0,0|1,0,1]=4 609 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,2,0,0,0,0|1,0,1]=4 610 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,2,0,0,0,0|1,0,1]=4 611 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,2,0,0,0,0|1,0,1]=4 612 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,2,0,0,0,0|1,0,1]=4 613 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,2,0,0,0,0|2,0,0]=4 614 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,2,0,0,0,0|1,0,1]=4 615 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,2,0,0,0,0|1,0,0]=3 616 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,2,0,0,0,0|1,0,0]=3 617 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,2,0,0,0,0|1,0,1]=4 618 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,2,0,0,0,0|1,0,0]=3 619 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,2,0,0,0,0|1,0,0]=3 620 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [0,2,0,0,0,0|2,0,0]=4 621 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,2,0,0,0,0|1,0,1]=4 622 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,2,0,0,0,0|1,0,0]=3 623 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,2,0,0,0,0|1,0,1]=4 624 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,2,0,0,0,0|1,0,1]=4 625 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,2,0,0,0,0|1,0,1]=4 626 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,2,0,0,0,0|1,0,1]=4 627 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,2,0,0,0,0|1,0,1]=4 628 B6R0.3 OC(CCl)C(Cl)Cl CNP0323730.0 [0,2,0,0,0,0|2,0,0]=4 629 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,2,0,0,0,0|1,0,1]=4 630 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,2,0,0,0,0|1,0,1]=4 631 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,2,0,0,0,0|0,0,2]=4 632 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,2,0,0,0,0|1,0,0]=3 633 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,2,0,0,0,0|1,0,1]=4 634 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,2,0,0,0,0|0,0,1]=3 635 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,2,0,0,0,0|1,0,1]=4 636 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,2,0,0,0,0|1,0,1]=4 637 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,2,0,0,0,0|0,0,1]=3 638 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,2,0,0,0,0|1,0,1]=4 639 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,2,0,0,0,0|1,0,1]=4 640 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,2,0,0,0,0|1,0,1]=4 641 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,2,0,0,0,0|0,0,1]=3 642 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,2,0,0,0,0|1,0,1]=4 643 B6R0.4 CC(C)CC#CO CNP0482838.0 [0,2,0,0,0,0|1,0,1]=4 644 B6R0.4 CC(C)CC=NO CNP0235743.0 [0,2,0,0,0,0|0,0,2]=4 645 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,2,0,0,0,0|0,0,1]=3 646 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,2,0,0,0,0|1,0,0]=3 647 B6R0.4 CC(C)CCCO CNP0344466.0 [0,2,0,0,0,0|1,0,0]=3 648 B6R0.4 CC(C)CN=C=S CNP0414473.0 [0,2,0,0,0,0|1,0,1]=4 649 B6R0.4 CC(C)CNC=O CNP0473867.0 [0,2,0,0,0,0|1,0,1]=4 650 B6R0.4 CC(C)COC=O CNP0232692.0 [0,2,0,0,0,0|1,0,1]=4 651 B6R0.4 CC(C)CON=O CNP0224607.0 [0,2,0,0,0,0|1,0,1]=4 652 B6R0.4 CC(C)CSC#N CNP0268195.0 [0,2,0,0,0,0|0,0,2]=4 653 B6R0.4 CC(C)NCCN CNP0082470.0 [0,2,0,0,0,0|0,0,0]=2 654 B6R0.4 CC(C)NCCO CNP0141461.0 [0,2,0,0,0,0|1,0,0]=3 655 B6R0.4 CC(C)OCCO CNP0079907.0 [0,2,0,0,0,0|1,0,0]=3 656 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,2,0,0,0,0|1,0,1]=4 657 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,2,0,0,0,0|1,0,1]=4 658 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,2,0,0,0,0|1,0,1]=4 659 B6R0.4 CCCCB(O)O CNP0482760.0 [0,2,0,0,0,0|1,0,0]=3 660 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,2,0,0,0,0|1,0,0]=3 661 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,2,0,0,0,0|0,0,0]=2 662 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,2,0,0,0,0|1,0,0]=3 663 B6R0.4 CCCCC(C)C CNP0312749.0 [0,2,0,0,0,0|1,0,0]=3 664 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,2,0,0,0,0|1,0,0]=3 665 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,2,0,0,0,0|1,0,0]=3 666 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,2,0,0,0,0|1,0,0]=3 667 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,2,0,0,0,0|1,0,1]=4 668 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,2,0,0,0,0|1,0,1]=4 669 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,2,0,0,0,0|1,0,1]=4 670 B6R0.4 CCCSC(C)C CNP0228244.0 [0,2,0,0,0,0|1,0,0]=3 671 B6R0.4 CCCSC(C)S CNP0609747.0 [0,2,0,0,0,0|1,0,0]=3 672 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [0,2,0,0,0,0|2,0,0]=4 673 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,2,0,0,0,0|1,0,1]=4 674 B6R0.4 CCNCC(C)C CNP0165310.0 [0,2,0,0,0,0|1,0,0]=3 675 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,2,0,0,0,0|0,0,1]=3 676 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,2,0,0,0,0|1,0,1]=4 677 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,2,0,0,0,0|1,0,0]=3 678 B6R0.4 CCSCC(C)C CNP0208462.0 [0,2,0,0,0,0|1,0,0]=3 679 B6R0.4 CCSSC(C)C CNP0003135.0 [0,2,0,0,0,0|2,0,0]=4 680 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,2,0,0,0,0|1,0,1]=4 681 B6R0.4 CNCCC(C)C CNP0254439.0 [0,2,0,0,0,0|0,0,0]=2 682 B6R0.4 COCCC(C)C CNP0316382.0 [0,2,0,0,0,0|1,0,0]=3 683 B6R0.4 COCCN(C)C CNP0429553.0 [0,2,0,0,0,0|1,0,0]=3 684 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,2,0,0,0,0|1,0,1]=4 685 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,2,0,0,0,0|0,0,1]=3 686 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,2,0,0,0,0|1,0,1]=4 687 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,2,0,0,0,0|1,0,0]=3 688 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,2,0,0,0,0|1,0,1]=4 689 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,2,0,0,0,0|1,0,1]=4 690 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,2,0,0,0,0|0,0,0]=2 691 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,2,0,0,0,0|0,0,0]=2 692 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,2,0,0,0,0|0,0,1]=3 693 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,2,0,0,0,0|0,0,1]=3 694 B6R0.4 NCCN[N+](=O)[O-] CNP0355337.0 [0,2,0,0,0,0|2,0,0]=4 695 B6R0.4 NCCOB(O)O CNP0548675.0 [0,2,0,0,0,0|2,0,0]=4 696 B6R0.4 NCCOP(O)O CNP0382987.0 [0,2,0,0,0,0|2,0,0]=4 697 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,2,0,0,0,0|1,0,1]=4 698 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,2,0,0,0,0|1,0,1]=4 699 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,2,0,0,0,0|1,0,1]=4 700 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [0,2,0,0,0,0|2,0,0]=4 701 B6R0.5 CC(C)(S)CCO CNP0215542.0 [0,2,0,0,0,0|1,0,0]=3 702 B6R0.5 CCCC(C)(C)C CNP0308764.0 [0,2,0,0,0,0|1,0,0]=3 703 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,2,0,0,0,0|1,0,0]=3 704 B6R0.5 CCCC(O)(O)O CNP0084720.0 [0,2,0,0,0,0|1,0,0]=3 705 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [0,2,0,0,0,0|2,0,0]=4 706 B6R0.5 CCOC(C)(C)C CNP0285210.0 [0,2,0,0,0,0|2,0,0]=4 707 B6R0.5 CCSC(C)(C)C CNP0186557.0 [0,2,0,0,0,0|2,0,0]=4 708 B6R0.5 C[As+](C)(C)CCO CNP0083842.0 [0,2,0,0,0,0|2,0,0]=4 709 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [0,2,0,0,0,0|2,0,0]=4 710 B6R0.5 C[N+](C)(C)CCO CNP0161849.0 [0,2,0,0,0,0|2,0,0]=4 711 B6R0.5 C[N+](C)(C)CCO CNP0522731.0 [0,2,0,0,0,0|2,0,0]=4 712 B6R0.5 C[N+](C)(C)CCS CNP0555759.0 [0,2,0,0,0,0|2,0,0]=4 713 B6R0.5 C[N+](C)([11CH3])CCO CNP0547808.0 [0,2,0,0,0,0|2,0,0]=4 714 B6R0.5 C[N+](C)([11CH3])CCO CNP0580308.0 [0,2,0,0,0,0|2,0,0]=4 715 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [0,2,0,0,0,0|2,0,0]=4 716 B6R0.5 NCCP(=O)(O)O CNP0284279.0 [0,2,0,0,0,0|2,0,0]=4 717 B6R0.5 NCCS(=O)(=O)N CNP0110913.0 [0,2,0,0,0,0|2,0,0]=4 718 B6R0.5 NCCS(=O)(=O)O CNP0178735.0 [0,2,0,0,0,0|2,0,0]=4 719 B6R0.5 NCC[S@](=O)(=S)O CNP0018006.1 [0,2,0,0,0,0|2,0,0]=4 720 B6R0.6 C#CCCCCO CNP0289179.0 [0,2,0,0,0,0|1,0,0]=3 721 B6R0.6 C=CC=CCCC CNP0526826.0 [0,2,0,0,0,0|1,0,1]=4 722 B6R0.6 C=CCCC=CC CNP0426808.0 [0,2,0,0,0,0|1,0,1]=4 723 B6R0.6 C=CCCCC#N CNP0287374.0 [0,2,0,0,0,0|0,0,2]=4 724 B6R0.6 C=CCCCC=C CNP0115869.0 [0,2,0,0,0,0|1,0,1]=4 725 B6R0.6 C=CCCCCC CNP0226691.0 [0,2,0,0,0,0|1,0,0]=3 726 B6R0.6 C=CCCCCO CNP0162421.0 [0,2,0,0,0,0|1,0,0]=3 727 B6R0.6 C=CCOCCO CNP0248950.0 [0,2,0,0,0,0|1,0,1]=4 728 B6R0.6 C=CCSCCC CNP0150756.0 [0,2,0,0,0,0|1,0,0]=3 729 B6R0.6 C=COCCCC CNP0077236.0 [0,2,0,0,0,0|1,0,0]=3 730 B6R0.6 CC#CCCCO CNP0320046.0 [0,2,0,0,0,0|1,0,0]=3 731 B6R0.6 CC=CCCC=O CNP0056069.0 [0,2,0,0,0,0|1,0,1]=4 732 B6R0.6 CC=CCCCC CNP0158475.0 [0,2,0,0,0,0|1,0,0]=3 733 B6R0.6 CC=CCCCO CNP0309139.0 [0,2,0,0,0,0|1,0,0]=3 734 B6R0.6 CC=CCSCC CNP0575773.0 [0,2,0,0,0,0|1,0,1]=4 735 B6R0.6 CC=CSCCC CNP0320861.0 [0,2,0,0,0,0|1,0,1]=4 736 B6R0.6 CCC#CCCO CNP0170517.0 [0,2,0,0,0,0|1,0,0]=3 737 B6R0.6 CCC=C=CCC CNP0518397.0 [0,2,0,0,0,0|1,0,1]=4 738 B6R0.6 CCC=CCC#N CNP0106706.0 [0,2,0,0,0,0|0,0,2]=4 739 B6R0.6 CCC=CCC=O CNP0227189.0 [0,2,0,0,0,0|1,0,1]=4 740 B6R0.6 CCC=CCCC CNP0391454.0 [0,2,0,0,0,0|1,0,0]=3 741 B6R0.6 CCC=CCCO CNP0255718.0 [0,2,0,0,0,0|1,0,0]=3 742 B6R0.6 CCCC#CCO CNP0314465.0 [0,2,0,0,0,0|1,0,0]=3 743 B6R0.6 CCCC=CC=O CNP0263913.0 [0,2,0,0,0,0|1,0,1]=4 744 B6R0.6 CCCC=CCO CNP0254124.0 [0,2,0,0,0,0|1,0,0]=3 745 B6R0.6 CCCC=CNO CNP0162409.0 [0,2,0,0,0,0|0,0,1]=3 746 B6R0.6 CCCCC=CO CNP0511187.0 [0,2,0,0,0,0|1,0,0]=3 747 B6R0.6 CCCCC=NO CNP0149695.0 [0,2,0,0,0,0|0,0,1]=3 748 B6R0.6 CCCCCC#N CNP0412353.0 [0,2,0,0,0,0|0,0,1]=3 749 B6R0.6 CCCCCC=O CNP0304790.0 [0,2,0,0,0,0|1,0,0]=3 750 B6R0.6 CCCCCCC CNP0290800.0 [0,2,0,0,0,0|1,0,0]=3 751 B6R0.6 CCCCCCN CNP0213933.0 [0,2,0,0,0,0|0,0,0]=2 752 B6R0.6 CCCCCCO CNP0317600.0 [0,2,0,0,0,0|1,0,0]=3 753 B6R0.6 CCCCCCS CNP0167948.0 [0,2,0,0,0,0|1,0,0]=3 754 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,2,0,0,0,0|1,0,0]=3 755 B6R0.6 CCCCCNC CNP0276164.0 [0,2,0,0,0,0|0,0,0]=2 756 B6R0.6 CCCCCOC CNP0358174.0 [0,2,0,0,0,0|1,0,0]=3 757 B6R0.6 CCCCCSC CNP0293012.0 [0,2,0,0,0,0|1,0,0]=3 758 B6R0.6 CCCCCSS CNP0228282.0 [0,2,0,0,0,0|1,0,0]=3 759 B6R0.6 CCCCN=C=S CNP0328773.0 [0,2,0,0,0,0|0,0,1]=3 760 B6R0.6 CCCCNC=O CNP0082472.0 [0,2,0,0,0,0|0,0,0]=2 761 B6R0.6 CCCCOC=O CNP0282325.0 [0,2,0,0,0,0|1,0,0]=3 762 B6R0.6 CCCCON=O CNP0003508.0 [0,2,0,0,0,0|0,0,1]=3 763 B6R0.6 CCCCSSC CNP0532819.0 [0,2,0,0,0,0|1,0,0]=3 764 B6R0.6 CCCNCCC CNP0129820.0 [0,2,0,0,0,0|1,0,0]=3 765 B6R0.6 CCCOCCO CNP0079853.0 [0,2,0,0,0,0|1,0,0]=3 766 B6R0.6 CCCSCCC CNP0173387.0 [0,2,0,0,0,0|1,0,0]=3 767 B6R0.6 CCCSSCC CNP0322971.0 [0,2,0,0,0,0|1,0,0]=3 768 B6R0.6 CCCSSSC CNP0104471.0 [0,2,0,0,0,0|2,0,0]=4 769 B6R0.6 CCOCCCO CNP0304052.0 [0,2,0,0,0,0|1,0,0]=3 770 B6R0.6 CCOCCCS CNP0267296.0 [0,2,0,0,0,0|1,0,0]=3 771 B6R0.6 CCSCCCO CNP0355297.0 [0,2,0,0,0,0|1,0,0]=3 772 B6R0.6 CCSSCSC CNP0003140.0 [0,2,0,0,0,0|2,0,0]=4 773 B6R0.6 CCSSSCC CNP0196220.0 [0,2,0,0,0,0|2,0,0]=4 774 B6R0.6 CNCCCCN CNP0157274.0 [0,2,0,0,0,0|0,0,0]=2 775 B6R0.6 COCC#CCO CNP0527985.0 [0,2,0,0,0,0|1,0,1]=4 776 B6R0.6 COCCCCO CNP0570905.0 [0,2,0,0,0,0|1,0,0]=3 777 B6R0.6 CSCCCC#N CNP0286857.0 [0,2,0,0,0,0|0,0,1]=3 778 B6R0.6 CSCCCC=O CNP0002814.0 [0,2,0,0,0,0|1,0,0]=3 779 B6R0.6 CSCCCCO CNP0002400.0 [0,2,0,0,0,0|1,0,0]=3 780 B6R0.6 CSCCCN=S CNP0092190.0 [0,2,0,0,0,0|0,0,1]=3 781 B6R0.6 CSCCN=C=S CNP0002691.0 [0,2,0,0,0,0|1,0,1]=4 782 B6R0.6 ClCCOCCCl CNP0082891.0 [0,2,0,0,0,0|1,0,0]=3 783 B6R0.6 N#CCCCC#N CNP0290374.0 [0,2,0,0,0,0|0,0,2]=4 784 B6R0.6 NCCCCC=O CNP0083786.0 [0,2,0,0,0,0|0,0,0]=2 785 B6R0.6 NCCCCCN CNP0184259.0 [0,2,0,0,0,0|0,0,0]=2 786 B6R0.6 NCCCCCO CNP0032450.0 [0,2,0,0,0,0|0,0,0]=2 787 B6R0.6 NCCOCCN CNP0447264.0 [0,2,0,0,0,0|0,0,0]=2 788 B6R0.6 O=CCCCC=O CNP0204417.0 [0,2,0,0,0,0|1,0,1]=4 789 B6R0.6 OCCCCCO CNP0201249.0 [0,2,0,0,0,0|1,0,0]=3 790 B6R0.6 OCCCN=C=S CNP0612043.0 [0,2,0,0,0,0|1,0,1]=4 791 B6R0.6 OCCNCCO CNP0247543.0 [0,2,0,0,0,0|1,0,0]=3 792 B6R0.6 OCCOCCO CNP0333860.0 [0,2,0,0,0,0|1,0,0]=3 793 B6R0.6 OCCSCCO CNP0335773.0 [0,2,0,0,0,0|1,0,0]=3 794 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [0,2,0,0,0,0|1,0,0]=3 795 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [0,2,0,0,0,0|1,0,1]=4 796 B6R0.8 CC(N)(CO)CO CNP0076432.0 [0,2,0,0,0,0|2,0,0]=4 797 B6R0.8 CCC(C)(C)CC CNP0117655.0 [0,2,0,0,0,0|1,0,0]=3 798 B6R0.8 CCC(C)(C)SC CNP0141733.0 [0,2,0,0,0,0|2,0,0]=4 799 B6R0.8 CCC(C)(O)CC CNP0314635.0 [0,2,0,0,0,0|1,0,0]=3 800 B6R0.8 CCC(C)(O)CO CNP0308368.0 [0,2,0,0,0,0|1,0,0]=3 801 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [0,2,0,0,0,0|0,0,2]=4 802 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [0,2,0,0,0,0|0,0,2]=4 803 B6R0.8 CC[Si](Cl)(Cl)CC CNP0296955.0 [0,2,0,0,0,0|1,1,0]=4 804 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,2,0,0,0,0|1,0,1]=4 805 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,2,0,0,0,0|1,0,1]=4 806 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,2,0,0,0,0|1,0,1]=4 807 B6R0.9 CCC(C#N)CC CNP0152089.0 [0,2,0,0,0,0|1,0,0]=3 808 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,2,0,0,0,0|1,0,0]=3 809 B6R0.9 CCC(CC)CC CNP0205695.0 [0,2,0,0,0,0|1,0,0]=3 810 B6R0.9 CCC(CC)SC CNP0410895.0 [0,2,0,0,0,0|1,0,0]=3 811 B6R0.9 CCC(OC)OC CNP0171881.0 [0,2,0,0,0,0|2,0,0]=4 812 B6R0.9 CCN(CC)CC CNP0209343.0 [0,2,0,0,0,0|2,0,0]=4 813 B6R0.9 CCN(CC)N=O CNP0419123.0 [0,2,0,0,0,0|2,0,0]=4 814 B6R0.9 CCP(CC)CC CNP0368013.0 [0,2,0,0,0,0|2,0,0]=4 815 B6R0.9 COC(CO)CO CNP0242404.0 [0,2,0,0,0,0|2,0,0]=4 816 B4R1.1 C1CCC1 CNP0580344.0 [1,0,0,1,0,0|0,0,0]=2 817 B4R1.1 C1CSC1 CNP0598686.0 [1,0,0,1,0,0|1,0,0]=3 818 B4R1.2 CC1=CC1 CNP0610335.0 [1,0,0,1,0,0|0,0,2]=4 819 B4R1.2 CC1CC1 CNP0597751.0 [1,0,0,1,0,0|0,0,0]=2 820 B4R1.2 CC1CN1 CNP0565195.0 [1,0,0,1,0,0|0,0,0]=2 821 B4R1.2 CC1CO1 CNP0586888.0 [1,0,0,1,0,0|1,0,0]=3 822 B4R1.2 CC1CS1 CNP0482664.0 [1,0,0,1,0,0|1,0,0]=3 823 B4R1.2 C[C@H]1CS1 CNP0482664.1 [1,0,0,1,0,0|1,0,0]=3 824 B4R1.2 NC1CC1 CNP0519928.0 [1,0,0,1,0,0|0,0,0]=2 825 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,1,0,1,0,0|1,0,0]=3 826 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,1,0,1,0,0|1,0,0]=3 827 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,1,0,1,0,0|1,0,1]=4 828 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,1,0,1,0,0|1,0,1]=4 829 B6R1.2 CC1=COCC1 CNP0002470.0 [0,1,0,1,0,0|1,0,1]=4 830 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,1,0,1,0,0|0,0,2]=4 831 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,1,0,1,0,0|0,0,2]=4 832 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,1,0,1,0,0|0,0,2]=4 833 B6R1.2 CC1C=COC1 CNP0165220.0 [0,1,0,1,0,0|1,0,1]=4 834 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,1,0,1,0,0|1,0,1]=4 835 B6R1.2 CC1CCCC1 CNP0194612.0 [0,1,0,1,0,0|1,0,0]=3 836 B6R1.2 CC1CCCO1 CNP0502439.0 [0,1,0,1,0,0|1,0,0]=3 837 B6R1.2 CC1OCCO1 CNP0611683.0 [0,1,0,1,0,0|1,0,0]=3 838 B6R1.2 CC1SCCS1 CNP0002932.0 [0,1,0,1,0,0|1,0,0]=3 839 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,1,0,1,0,0|0,0,2]=4 840 B6R1.2 CN1CCCC1 CNP0395436.0 [0,1,0,1,0,0|0,0,0]=2 841 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,1,0,1,0,0|0,0,2]=4 842 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,1,0,1,0,0|0,0,0]=2 843 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,1,0,1,0,0|1,0,0]=3 844 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,1,0,1,0,0|0,0,0]=2 845 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,1,0,1,0,0|1,0,0]=3 846 B6R1.2 NC1=NCCS1 CNP0490176.0 [0,1,0,1,0,0|1,0,1]=4 847 B6R1.2 NN1CCCC1 CNP0577233.0 [0,1,0,1,0,0|0,0,0]=2 848 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,1,0,1,0,0|1,0,0]=3 849 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,1,0,1,0,0|0,0,1]=3 850 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,1,0,1,0,0|1,0,1]=4 851 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,1,0,1,0,0|1,0,1]=4 852 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,1,0,1,0,0|1,0,1]=4 853 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,1,0,1,0,0|1,0,1]=4 854 B6R1.2 O=C1CCON1 CNP0325381.0 [0,1,0,1,0,0|1,0,1]=4 855 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,1,0,1,0,0|1,0,1]=4 856 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,1,0,1,0,0|1,0,1]=4 857 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,1,0,1,0,0|0,0,2]=4 858 B6R1.2 OC1CCCC1 CNP0085994.0 [0,1,0,1,0,0|1,0,0]=3 859 B6R1.2 OC1CSSC1 CNP0317557.0 [0,1,0,1,0,0|2,0,0]=4 860 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,1,0,1,0,0|1,0,0]=3 861 B6R1.2 S=C1NCCN1 CNP0310090.0 [0,1,0,1,0,0|1,0,1]=4 862 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,1,0,1,0,0|1,0,1]=4 863 B6R1.2 SC1CCCC1 CNP0280825.0 [0,1,0,1,0,0|1,0,0]=3 864 B6R1.2 SC1CCCS1 CNP0002503.0 [0,1,0,1,0,0|1,0,0]=3 865 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,1,0,1,0,0|0,0,2]=4 866 B6R1.3 CCCC1CC1 CNP0506060.0 [0,1,0,1,0,0|1,0,0]=3 867 B6R1.3 N#CC[C@@H]1CS1 CNP0134968.2 [0,1,0,1,0,0|0,0,2]=4 868 B6R1.3 N#CC[C@H]1CS1 CNP0134968.1 [0,1,0,1,0,0|0,0,2]=4 869 B6R1.3 NCCN1CC1 CNP0522628.0 [0,1,0,1,0,0|0,0,0]=2 870 B6R1.3 S=C=NC1CC1 CNP0158262.0 [0,1,0,1,0,0|1,0,1]=4 871 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,1,0,1,0,0|1,0,1]=4 872 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,1,0,1,0,0|1,0,0]=3 873 B6R1.8 O=C1CC1CO CNP0073765.0 [0,1,0,1,0,0|1,0,1]=4 874 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,1,0,1,0,0|1,0,0]=3 875 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,1,0,1,0,0|1,0,0]=3 876 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,1,0,1,0,0|1,0,0]=3 877 B6R1.1 C1=CCCCC1 CNP0275665.0 [0,1,0,1,0,0|1,0,0]=3 878 B6R1.1 C1=CCNCC1 CNP0086452.0 [0,1,0,1,0,0|0,0,1]=3 879 B6R1.1 C1=CNCCC1 CNP0200592.0 [0,1,0,1,0,0|0,0,1]=3 880 B6R1.1 C1=COCCC1 CNP0583467.0 [0,1,0,1,0,0|1,0,1]=4 881 B6R1.1 C1=NCCCC1 CNP0139263.0 [0,1,0,1,0,0|0,0,1]=3 882 B6R1.1 C1CCCCC1 CNP0220772.0 [0,1,0,1,0,0|1,0,0]=3 883 B6R1.1 C1CCNCC1 CNP0153358.0 [0,1,0,1,0,0|0,0,0]=2 884 B6R1.1 C1CCOCC1 CNP0484551.0 [0,1,0,1,0,0|1,0,0]=3 885 B6R1.1 C1CNCCN1 CNP0389558.0 [0,1,0,1,0,0|0,0,0]=2 886 B6R1.1 C1CNCCN1 CNP0554301.0 [0,1,0,1,0,0|0,0,0]=2 887 B6R1.1 C1COCCN1 CNP0167865.0 [0,1,0,1,0,0|0,0,0]=2 888 B6R1.1 C1COCCO1 CNP0353166.0 [0,1,0,1,0,0|1,0,0]=3 889 B6R1.1 C1COCSC1 CNP0517977.0 [0,1,0,1,0,0|1,0,0]=3 890 B6R1.1 C1CSCCS1 CNP0316640.0 [0,1,0,1,0,0|1,0,0]=3 891 B6R1.1 C1CSCSC1 CNP0221424.0 [0,1,0,1,0,0|1,0,0]=3 892 B6R1.1 C1CSSCS1 CNP0173795.0 [0,1,0,1,0,0|2,0,0]=4 893 B6R1.1 C1CSSSC1 CNP0124260.0 [0,1,0,1,0,0|2,0,0]=4 894 B6R1.1 C1SCSCS1 CNP0146146.0 [0,1,0,1,0,0|2,0,0]=4 895 B6R1.1 C1[SiH2]C[SiH2]C[SiH2]1 CNP0127858.0 [0,1,0,1,0,0|1,1,0]=4 896 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [0,1,0,1,0,0|1,0,1]=4 897 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,1,0,1,0,0|1,0,0]=3 898 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,1,0,1,0,0|1,0,0]=3 899 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,1,0,1,0,0|1,0,1]=4