0 B7R0.4 C=C(C)CCN=C=S CNP0114096.0 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,0,0,0,0,0|1,1,1]=3 3 B7R0.4 CC(C)CCN=C=S CNP0085995.0 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,0,0,0,0,0|0,1,2]=3 5 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,0,0,0,0,0|1,1,1]=3 6 B7R0.4 CC(C)CCON=O CNP0341686.0 [0,0,0,0,0,0|2,1,0]=3 7 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,0,0,0,0,0|2,1,1]=4 8 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.4 C[S@+]([O-])CCN=C=S CNP0519953.1 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.4 C[S@H+]([O-])CCN=C=S CNP0547204.1 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 C=CCSC(C)C CNP0309084.0 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CC(C)CC#CO CNP0482838.0 [1,0,0,0,0,0|0,1,2]=4 25 B6R0.4 CC(C)CC=NO CNP0235743.0 [1,0,0,0,0,0|0,1,1]=3 26 B6R0.4 CC(C)CCC#N CNP0386277.0 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,0,0,0,0,0|0,1,1]=3 28 B6R0.4 CC(C)CCCO CNP0344466.0 [1,0,0,0,0,0|0,1,1]=3 29 B6R0.4 CC(C)CN=C=S CNP0414473.0 [1,0,0,0,0,0|0,0,0]=1 30 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,0,0,0,0,0|0,1,2]=4 31 B6R0.4 CC(C)COC=O CNP0232692.0 [1,0,0,0,0,0|1,1,1]=4 32 B6R0.4 CC(C)CON=O CNP0224607.0 [1,0,0,0,0,0|1,1,0]=3 33 B6R0.4 CC(C)CSC#N CNP0268195.0 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 CC(C)NCCN CNP0082470.0 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 CC(C)NCCO CNP0141461.0 [1,0,0,0,0,0|1,1,1]=4 36 B6R0.4 CC(C)OCCO CNP0079907.0 [1,0,0,0,0,0|1,1,1]=4 37 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.4 CCCCC(C)C CNP0312749.0 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.4 CCCSC(C)C CNP0228244.0 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.4 CCNCC(C)C CNP0165310.0 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.4 CCSCC(C)C CNP0208462.0 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 CNCCC(C)C CNP0254439.0 [1,0,0,0,0,0|0,0,2]=3 45 B6R0.4 COCCC(C)C CNP0316382.0 [1,0,0,0,0,0|1,0,1]=3 46 B6R0.4 COCCN(C)C CNP0429553.0 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,0,0,0,0,0|1,1,1]=4 49 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.6 C=CCCN=C=S CNP0107519.0 [1,0,0,0,0,0|0,0,2]=3 51 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.6 CCC=CN=C=S CNP0076586.0 [1,0,0,0,0,0|0,0,2]=3 54 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|1,1,1]=4 55 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|2,1,0]=4 56 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|1,1,1]=4 58 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|1,1,1]=4 61 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|1,1,1]=4 63 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.6 CCCCCSS CNP0228282.0 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.6 CCCCN=C=S CNP0328773.0 [1,0,0,0,0,0|0,0,0]=1 68 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,0,0,0,0|0,1,2]=4 69 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|1,1,1]=4 70 B6R0.6 CCCCON=O CNP0003508.0 [1,0,0,0,0,0|2,1,0]=4 71 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.6 CSCCCN=S CNP0092190.0 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.6 CSCCN=C=S CNP0002691.0 [1,0,0,0,0,0|1,0,0]=2 74 B6R0.6 OCCCN=C=S CNP0612043.0 [1,0,0,0,0,0|1,0,0]=2 75 B8R0.5 C/C=C/[C@@H](O)CC(C)C CNP0115092.2 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.5 C/C=C\[C@H](O)CC(C)C CNP0115092.1 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.5 CC(C)C[C@@H](O)/C=N\O CNP0215536.1 [0,1,0,0,0,0|2,1,0]=4 78 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,1,0,0,0,0|1,1,1]=4 81 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,1,0,0,0,0|1,1,1]=4 82 B8R0.7 CC(=N)CCCN=C=S CNP0589119.0 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,1,0,0,0,0|1,1,1]=4 84 B8R0.7 CC(C)CCCCCO CNP0090200.0 [0,1,0,0,0,0|1,1,1]=4 85 B8R0.7 CC(C)CCCN=C=S CNP0076170.0 [0,1,0,0,0,0|0,0,0]=1 86 B8R0.7 CC(C)OCCCCO CNP0461229.0 [0,1,0,0,0,0|1,1,1]=4 87 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.7 C[S@+]([O-])CCCN=C=S CNP0567636.1 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.7 C[S@@+]([O-])CCCN=C=S CNP0567636.2 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.7 C[S@@H+]([O-])CCCN=C=S CNP0578831.1 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [0,1,0,0,0,0|2,1,0]=4 94 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,0,0,0,0|3,0,0]=4 98 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,0,0,0,0|3,0,0]=4 99 B8R0.21 CC(C)(S)CCOC=O CNP0002927.0 [0,1,0,0,0,0|1,1,1]=4 100 B8R0.21 CCCCCC(C)(C)S CNP0505610.0 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,1,0,0,0,0|1,1,1]=4 102 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,1,0,0,0,0|0,1,2]=4 103 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,1,0,0,0,0|1,1,1]=4 104 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,1,0,0,0,0|1,0,1]=3 105 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,1,0,0,0,0|1,1,1]=4 106 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,1,0,0,0,0|1,1,1]=4 107 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [0,1,0,0,0,0|1,1,1]=4 112 B8R0.28 CC(C)CCN[S+](C)[O-] CNP0585903.0 [0,1,0,0,0,0|1,1,1]=4 113 B8R0.28 C[C@H](O)CCNC(=S)N CNP0153742.1 [0,1,0,0,0,0|1,0,2]=4 114 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,0|1,1,1]=4 117 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,1,0,0|1,1,1]=4 118 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,0,0,1,0,0|1,1,1]=4 120 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,0,0,1,0,0|1,1,1]=4 122 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,1,0,0|1,1,1]=4 123 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,0,0,1,0,0|1,1,1]=4 124 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,0,0,1,0,0|1,1,1]=4 125 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,0,1,0,0|1,0,2]=4 126 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,0,0,1,0,0|1,1,1]=4 128 B8R1.19 CC1(CCC[C@@H]1O)C CNP0549501.1 [0,0,0,1,0,0|1,1,1]=4 129 B8R1.19 CC1(CCC[C@H]1O)C CNP0549501.2 [0,0,0,1,0,0|1,1,1]=4 130 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.36 CCCCCC1CC1 CNP0610547.0 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [0,0,0,1,0,0|2,0,1]=4 134 B5R0.1 C=CCC(C)C CNP0293683.0 [2,0,0,0,0,0|0,0,2]=4 135 B5R0.1 CC(C)C=NO CNP0180575.0 [2,0,0,0,0,0|0,1,1]=4 136 B5R0.1 CC(C)CC#N CNP0003467.0 [2,0,0,0,0,0|0,0,2]=4 137 B5R0.1 CC(C)CC=O CNP0200023.0 [2,0,0,0,0,0|0,1,1]=4 138 B5R0.1 CC(C)CCN CNP0107663.0 [2,0,0,0,0,0|0,0,1]=3 139 B5R0.1 CC(C)CCO CNP0115711.0 [2,0,0,0,0,0|0,1,0]=3 140 B5R0.1 CC(C)CCS CNP0222694.0 [2,0,0,0,0,0|0,0,1]=3 141 B5R0.1 CC(C)CNO CNP0343206.0 [2,0,0,0,0,0|0,1,1]=4 142 B5R0.1 CC(C)N=C=O CNP0495487.0 [2,0,0,0,0,0|0,1,0]=3 143 B5R0.1 CC(C)N=C=S CNP0332549.0 [2,0,0,0,0,0|0,0,0]=2 144 B5R0.1 CC(C)ON=N CNP0504626.0 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.1 CC(O)CCS CNP0002409.0 [2,0,0,0,0,0|1,0,1]=4 146 B5R0.1 CC(S)CCS CNP0003105.0 [2,0,0,0,0,0|1,0,1]=4 147 B5R0.1 CCCC(C)C CNP0319065.0 [2,0,0,0,0,0|0,0,1]=3 148 B5R0.1 CCCC(C)S CNP0029638.0 [2,0,0,0,0,0|1,0,1]=4 149 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|1,0,1]=4 151 B5R0.1 CCOC(C)C CNP0604172.0 [2,0,0,0,0,0|1,0,1]=4 152 B5R0.1 CCSC(C)C CNP0254931.0 [2,0,0,0,0,0|1,0,1]=4 153 B5R0.1 CN(C)CCCl CNP0328789.0 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.1 CN(C)CCO CNP0230038.0 [2,0,0,0,0,0|1,1,0]=4 155 B5R0.1 CN=CC(C)C CNP0149349.0 [2,0,0,0,0,0|0,0,2]=4 156 B5R0.1 CNCC(C)C CNP0273998.0 [2,0,0,0,0,0|0,0,2]=4 157 B5R0.1 COCC(C)C CNP0528468.0 [2,0,0,0,0,0|1,0,1]=4 158 B5R0.1 CSCC(C)C CNP0405087.0 [2,0,0,0,0,0|1,0,1]=4 159 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [2,0,0,0,0,0|1,1,0]=4 160 B5R0.1 C[C@H](O)CCO CNP0110972.1 [2,0,0,0,0,0|1,1,0]=4 161 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|1,0,1]=4 162 B5R0.2 C=CCN=C=S CNP0329428.0 [2,0,0,0,0,0|0,0,2]=4 163 B5R0.2 C=CC[N+]=C=S CNP0590911.0 [2,0,0,0,0,0|0,0,2]=4 164 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|0,1,1]=4 165 B5R0.2 CCCCC#N CNP0357663.0 [2,0,0,0,0,0|1,0,1]=4 166 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,1,1]=4 167 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,1]=4 168 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|1,0,1]=4 169 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,1]=4 170 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,1]=4 171 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,1,1]=4 172 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|0,0,2]=4 173 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|0,0,2]=4 174 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|1,0,1]=4 175 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|1,0,1]=4 176 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|1,1,0]=4 177 B5R0.2 CCCN=C=S CNP0077279.0 [2,0,0,0,0,0|0,0,0]=2 178 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [2,0,0,0,0,0|0,0,2]=4 179 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [1,1,0,0,0,0|0,1,1]=4 181 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [1,1,0,0,0,0|0,1,1]=4 182 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [1,1,0,0,0,0|0,1,1]=4 183 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [1,1,0,0,0,0|0,1,1]=4 184 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [1,1,0,0,0,0|0,1,1]=4 185 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [1,1,0,0,0,0|0,1,1]=4 186 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [1,1,0,0,0,0|0,1,1]=4 187 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,1,0,0,0,0|0,1,1]=4 188 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [1,1,0,0,0,0|0,1,1]=4 189 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.3 C=CC(C)CN=C=S CNP0075379.0 [1,1,0,0,0,0|0,0,1]=3 191 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,1,0,0,0,0|0,1,1]=4 192 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,1,0,0,0,0|1,0,1]=4 194 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [1,1,0,0,0,0|0,0,0]=2 197 B7R0.3 CSC(C)CCC#N CNP0577108.0 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [1,1,0,0,0,0|0,1,1]=4 200 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,1,0,0,0,0|0,1,1]=4 202 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,1,0,0,0,0|0,1,1]=4 203 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,1,0,0,0,0|0,1,1]=4 204 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,1,0,0,0,0|0,1,1]=4 205 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.8 COCCC(C)(C)S CNP0210797.0 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.1 C=CCCCN=C=S CNP0144953.0 [1,1,0,0,0,0|0,0,1]=3 209 B7R0.1 CCCCCN=C=S CNP0391667.0 [1,1,0,0,0,0|0,0,0]=2 210 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,1,0,0,0,0|0,0,1]=3 211 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,1,0,0,0,0|0,0,1]=3 212 B7R0.1 CSCCCN=C=S CNP0228923.0 [1,1,0,0,0,0|0,0,0]=2 213 B7R0.1 OCCCCN=C=S CNP0611896.0 [1,1,0,0,0,0|0,0,0]=2 214 B7R0.1 S=C=NCCCCS CNP0504519.0 [1,1,0,0,0,0|0,0,0]=2 215 B9R0.46 COC(=O)CCCN=C=S CNP0075378.0 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.2 CS(O)C=CCCN=C=S CNP0333316.0 [0,2,0,0,0,0|2,0,0]=4 217 B9R0.2 CS(O)CCCCN=C=S CNP0368937.0 [0,2,0,0,0,0|2,0,0]=4 218 B9R0.2 C[S@+]([O-])/C=C/CCN=C=S CNP0543780.1 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.2 C[S@+]([O-])CCCCN=C=S CNP0525299.1 [0,2,0,0,0,0|2,0,0]=4 220 B9R0.2 C[S@@+]([O-])CCCCN=C=S CNP0525299.2 [0,2,0,0,0,0|2,0,0]=4 221 B9R0.2 C[S@H+]([O-])/C=C/CCN=C=S CNP0511080.1 [0,2,0,0,0,0|2,0,0]=4 222 B9R0.2 C[S@H+]([O-])CCCCN=C=S CNP0541859.1 [0,2,0,0,0,0|2,0,0]=4 223 B9R0.38 CS(=O)(=O)CCCN=C=S CNP0382418.0 [0,2,0,0,0,0|2,0,0]=4 224 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|0,1,1]=4 225 B7R1.2 CC1CCC(C1)O CNP0608388.0 [1,0,0,1,0,0|0,1,1]=4 226 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.3 CC1CCNCC1 CNP0080033.0 [1,0,0,1,0,0|0,0,2]=4 229 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.14 CC1(CCCC1)C CNP0125073.0 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.14 CC1(CCSS1)C CNP0245767.0 [1,0,0,1,0,0|1,0,1]=4