0 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,0,0,0|2,0,1]=3 1 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,0,0,0,0,0|1,0,3]=4 3 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,0,0,0|1,1,1]=3 5 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,0,0,0,0,0|2,1,1]=4 7 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,0,0,0,0,0|4,0,0]=4 9 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,0,0,0,0,0|2,1,0]=3 11 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 CC1=NN=CO1 CNP0610339.0 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,0,0,0|1,0,1]=2 15 B6R1.2 CC1OCCO1 CNP0611683.0 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 CC1SCCS1 CNP0002932.0 [0,0,0,0,0,0|2,1,1]=4 17 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,0,0,0|2,0,1]=3 19 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,0,0,0|3,0,1]=4 20 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,0,0,0,0,0|2,1,1]=4 21 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 NC1=NCCS1 CNP0490176.0 [0,0,0,0,0,0|2,1,0]=3 23 B6R1.2 NN1CCCC1 CNP0577233.0 [0,0,0,0,0,0|3,0,0]=3 24 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,0,0,0|1,0,1]=2 25 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,0,0,0|0,0,2]=2 26 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [0,0,0,0,0,0|2,0,2]=4 27 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,0,0,0,0,0|1,0,2]=3 28 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,0,0,0,0,0|1,0,2]=3 29 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,0,0,0,0,0|0,0,2]=2 30 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,0,0,0|1,0,0]=1 31 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,0,0,0,0,0|1,0,0]=1 32 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,0,0,0|0,0,0]=0 33 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,0,0,0|0,1,0]=1 34 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,0,0,0,0,0|2,0,0]=2 35 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,0,0,0|2,0,0]=2 36 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,0,0,0|2,0,0]=2 37 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,0,0,0|2,0,0]=2 38 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,0,0,0,0,0|2,0,1]=3 39 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,0,0,0|1,0,0]=1 40 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,0,0,0,0,0|1,0,2]=3 41 B6R1.2 OB1OCCO1 CNP0510130.0 [0,0,0,0,0,0|2,0,1]=3 42 B6R1.2 OC1=CC=CO1 CNP0600093.0 [0,0,0,0,0,0|0,0,4]=4 43 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,0,0,0,0,0|1,0,1]=2 44 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,0,0,0|2,0,1]=3 45 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,0,0,0|1,0,2]=3 46 B6R1.2 S=C1NCCN1 CNP0310090.0 [0,0,0,0,0,0|2,1,0]=3 47 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,0,0,0,0,0|1,1,0]=2 48 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,0,0,0,0,0|1,1,0]=2 49 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,0,0,0|1,1,1]=3 50 B6R1.2 SC1CCCS1 CNP0002503.0 [0,0,0,0,0,0|0,2,1]=3 51 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,0,0,0,0,0|2,0,1]=3 52 B6R1.2 [O-][S@+]1CSCS1 CNP0581645.1 [0,0,0,0,0,0|2,1,1]=4 53 B6R1.2 [O-][S@@+]1CSCS1 CNP0581645.2 [0,0,0,0,0,0|2,1,1]=4 54 B6R1.2 [O-][S@H+]1CSCS1 CNP0533797.1 [0,0,0,0,0,0|2,1,1]=4 55 B5R1.1 C1=CCC=C1 CNP0588646.0 [1,0,0,0,0,0|1,0,2]=4 56 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,0,0,0|1,0,0]=2 57 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,0,0,0|2,0,0]=3 58 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,0,0,0|1,0,1]=3 59 B5R1.1 C1=COC=C1 CNP0601420.0 [1,0,0,0,0,0|0,0,3]=4 60 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,0,0,0|0,0,1]=2 61 B5R1.1 C1=CON=C1 CNP0611744.0 [1,0,0,0,0,0|1,0,2]=4 62 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,0,0,0|0,1,1]=3 63 B5R1.1 C1=CSCS1 CNP0479150.0 [1,0,0,0,0,0|1,1,1]=4 64 B5R1.1 C1=CSSC1 CNP0490976.0 [1,0,0,0,0,0|1,1,1]=4 65 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,0,0,0|1,0,0]=2 66 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,0,0,0|1,0,0]=2 67 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,0,0,0|1,0,1]=3 68 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,0,0,0|1,0,1]=3 69 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,0,0,0|0,0,1]=2 70 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,0,0,0|1,0,1]=3 71 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,0,0,0|0,1,1]=3 72 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,0,0,0|1,0,1]=3 73 B5R1.1 C1CSCN1 CNP0561874.0 [1,0,0,0,0,0|1,1,1]=4 74 B5R1.1 C1CSSC1 CNP0501166.0 [1,0,0,0,0,0|1,1,0]=3 75 B5R1.1 C1SCSS1 CNP0507701.0 [1,0,0,0,0,0|2,1,0]=4 76 B7R1.1 C=CC1OCCO1 CNP0206238.0 [0,1,0,0,0,0|2,0,1]=4 77 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,1,0,0,0,0|2,0,1]=4 79 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,1,0,0,0,0|2,0,1]=4 80 B7R1.1 COC1OCCO1 CNP0076084.0 [0,1,0,0,0,0|1,0,2]=4 81 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,1,0,0,0,0|2,0,1]=4 82 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,1,0,0,0,0|0,0,3]=4 83 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,1,0,0,0,0|2,0,0]=3 84 B7R1.1 O=NN1CCCC1 CNP0169288.0 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.1 O=NN1CCSC1 CNP0462467.0 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,1,0,0,0,0|1,0,2]=4 87 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,1,0,0,0,0|0,0,2]=3 88 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,1,0,0,0,0|1,0,2]=4 89 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,1,0,0,0,0|0,0,2]=3 90 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,1,0,0,0,0|0,0,3]=4 91 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,0,0,0|1,0,1]=3 92 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,1,0,0,0,0|1,0,2]=4 93 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,1,0,0,0,0|0,0,2]=3 94 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,1,0,0,0,0|1,1,1]=4 95 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,1,0,0,0,0|1,1,1]=4 96 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,1,0,0,0,0|0,0,2]=3 97 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,1,0,0,0,0|3,0,0]=4 101 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,0,0,0|1,0,1]=3 102 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,1,0,0,0,0|0,0,2]=3 103 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,1,0,0,0,0|2,1,0]=4 104 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,0,0,0|1,0,0]=2 105 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,0,0,0|0,1,0]=2 106 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,0,0,0|1,0,2]=4 107 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,1,0,0,0,0|1,1,1]=4 108 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,1,0,0,0,0|1,0,0]=2 109 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,1,0,0,0,0|1,0,0]=2 110 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,0,0,0|0,0,0]=1 111 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,1,0,0,0,0|2,0,1]=4 112 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,1,0,0,0,0|1,0,1]=3 113 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,0,0,0|0,0,0]=1 114 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,0,0,0|0,0,0]=1 115 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,0,0,0|0,0,0]=1 116 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,1,0,0,0,0|1,1,0]=3 117 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,1,0,0,0,0|2,0,1]=4 118 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,1,0,0,0,0|0,0,2]=3 119 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,1,0,0,0,0|1,0,2]=4 120 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,1,0,0,0,0|0,0,3]=4 121 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,1,0,0,0,0|1,0,1]=3 122 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,1,0,0,0,0|1,0,2]=4 123 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,1,0,0,0,0|1,0,1]=3 124 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,1,0,0,0,0|1,0,1]=3 125 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,1,0,0,0,0|1,0,1]=3 126 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,1,0,0,0,0|0,0,1]=2 127 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,0,0,0|1,0,0]=2 128 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,0,0,0|1,0,0]=2 129 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,1,0,0,0,0|2,0,1]=4 130 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,1,0,0,0,0|1,1,1]=4 131 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,1,0,0,0,0|2,0,1]=4 132 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,0,0,0|1,0,0]=2 133 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,0,0,0|0,0,0]=1 134 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,0,0,0|1,0,0]=2 135 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,0,0,0|0,0,0]=1 136 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,1,0,0,0,0|1,0,1]=3 137 B7R1.2 [O-][S@+]1C[C@@H](CS1)O CNP0533380.4 [0,1,0,0,0,0|1,1,1]=4 138 B7R1.2 [O-][S@+]1C[C@H](CS1)O CNP0533380.3 [0,1,0,0,0,0|1,1,1]=4 139 B7R1.2 [O-][S@@+]1C[C@@H](CS1)O CNP0533380.1 [0,1,0,0,0,0|1,1,1]=4 140 B7R1.2 [O-][S@@+]1C[C@H](CS1)O CNP0533380.2 [0,1,0,0,0,0|1,1,1]=4 141 B7R1.2 [O-][S@H+]1C[C@@H](CS1)O CNP0479005.2 [0,1,0,0,0,0|1,1,1]=4 142 B7R1.2 [O-][S@H+]1C[C@H](CS1)O CNP0479005.1 [0,1,0,0,0,0|1,1,1]=4 143 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,1,0,0,0,0|0,0,1]=2 144 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,0,0,0|2,0,0]=3 146 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,0,0,0|1,0,1]=3 147 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,1,0,0,0,0|1,1,1]=4 148 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,0,0,0|1,0,1]=3 149 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,0,0,0|0,0,2]=3 150 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,1,0,0,0,0|2,0,1]=4 151 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,0,0,0|2,0,0]=3 152 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,0,0,0|1,0,1]=3 153 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,0,0,0|1,0,1]=3 154 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.4 CC1SCCC1O CNP0179885.0 [0,1,0,0,0,0|1,1,1]=4 156 B7R1.4 CC1SCCC1S CNP0002610.0 [0,1,0,0,0,0|1,1,1]=4 157 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,1,0,0,0,0|1,0,2]=4 158 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,0,0,0|1,0,0]=2 159 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,1,0,0,0,0|1,1,0]=3 160 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,0,0,0|1,0,0]=2 161 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,1,0,0,0,0|2,0,1]=4 162 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,1,0,0,0,0|2,0,1]=4 163 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,0,0,0|1,0,2]=4 164 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,0,0,0|0,0,0]=1 165 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,0,0,0|2,0,0]=3 166 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,0,0,0|1,0,0]=2 167 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,1,0,0,0,0|2,0,1]=4 168 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,0,0,0|0,0,0]=1 169 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,0,0,0|2,0,0]=3 170 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,0,0,0|0,0,0]=1 171 B7R1.4 N[C@@H]1CON=C1O CNP0535940.1 [0,1,0,0,0,0|2,0,1]=4 172 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,1,0,0,0,0|2,0,0]=3 173 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,0,0,0|0,0,0]=1 174 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,0,0,0|0,1,0]=2 175 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,1,0,0,0,0|2,0,0]=3 176 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,1,0,0,0,0|1,0,2]=4 177 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,0,0,0|1,0,1]=3 178 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,1,0,0,0,0|1,0,0]=2 179 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,0,0,0|2,0,0]=3 180 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,0,0,0|1,0,0]=2 181 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,0,0,0|0,0,2]=3 182 B7R1.4 OC1CCCC1O CNP0519159.0 [0,1,0,0,0,0|1,0,2]=4 183 B7R1.4 SC1CCCC1S CNP0098071.0 [0,1,0,0,0,0|1,1,1]=4 184 B7R1.14 CC1(CCCC1)C CNP0125073.0 [0,1,0,0,0,0|2,0,1]=4 185 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,0,0,0|1,0,2]=4 186 B7R1.14 CC1(CCCS1)S CNP0002611.0 [0,1,0,0,0,0|0,2,1]=4 187 B7R1.14 O=S1(=O)CCCC1 CNP0278305.0 [0,1,0,0,0,0|2,0,0]=3 188 B5R0.1 C#CCC(=O)O CNP0049385.0 [0,0,1,0,0,0|0,0,2]=3 189 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,0,1,0,0,0|3,0,0]=4 190 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,0,1,0,0,0|2,0,1]=4 191 B5R0.1 C=C(C)CCC CNP0179329.0 [0,0,1,0,0,0|2,0,0]=3 192 B5R0.1 C=C(C)CCO CNP0285127.0 [0,0,1,0,0,0|3,0,0]=4 193 B5R0.1 C=C(O)CCC CNP0003382.0 [0,0,1,0,0,0|1,0,0]=2 194 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,0,1,0,0,0|1,0,2]=4 195 B5R0.1 C=CCC(=O)N CNP0292806.0 [0,0,1,0,0,0|1,0,2]=4 196 B5R0.1 C=CCC(=O)O CNP0172155.0 [0,0,1,0,0,0|0,0,2]=3 197 B5R0.1 C=COC(=O)C CNP0003526.0 [0,0,1,0,0,0|0,0,2]=3 198 B5R0.1 CC(=CCO)C CNP0241702.0 [0,0,1,0,0,0|3,0,0]=4 199 B5R0.1 CC(=CCS)C CNP0262600.0 [0,0,1,0,0,0|3,0,0]=4 200 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,0,1,0,0,0|3,0,0]=4 201 B5R0.1 CC(=O)CCO CNP0251527.0 [0,0,1,0,0,0|2,0,0]=3 202 B5R0.1 CC(=O)CCS CNP0404753.0 [0,0,1,0,0,0|2,0,0]=3 203 B5R0.1 CC(=O)OCS CNP0547679.0 [0,0,1,0,0,0|1,0,0]=2 204 B5R0.1 CC(O)CCS CNP0002409.0 [0,0,1,0,0,0|2,0,1]=4 205 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,0,1,0,0,0|1,0,1]=3 206 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [0,0,1,0,0,0|1,0,2]=4 207 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,0,1,0,0,0|1,0,2]=4 208 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,0,1,0,0,0|0,0,2]=3 209 B5R0.1 CC=CC(=O)S CNP0128183.0 [0,0,1,0,0,0|0,1,2]=4 210 B5R0.1 CCC=C(C)C CNP0331653.0 [0,0,1,0,0,0|2,0,0]=3 211 B5R0.1 CCC=C(C)O CNP0225775.0 [0,0,1,0,0,0|1,0,1]=3 212 B5R0.1 CCCC(=O)C CNP0169448.0 [0,0,1,0,0,0|1,0,0]=2 213 B5R0.1 CCCC(=O)N CNP0115101.0 [0,0,1,0,0,0|1,0,0]=2 214 B5R0.1 CCCC(=O)O CNP0259447.0 [0,0,1,0,0,0|0,0,0]=1 215 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,0,1,0,0,0|0,0,1]=2 216 B5R0.1 CCCC(C)C CNP0319065.0 [0,0,1,0,0,0|2,0,1]=4 217 B5R0.1 CCCC(C)S CNP0029638.0 [0,0,1,0,0,0|1,1,1]=4 218 B5R0.1 CCCC(O)O CNP0076336.0 [0,0,1,0,0,0|0,0,2]=3 219 B5R0.1 CCCS(=S)O CNP0558357.0 [0,0,1,0,0,0|1,1,0]=3 220 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,0,1,0,0,0|1,0,1]=3 221 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,0,1,0,0,0|1,0,1]=3 222 B5R0.1 CCNC(=O)C CNP0260078.0 [0,0,1,0,0,0|1,0,0]=2 223 B5R0.1 CCNC(=S)N CNP0415621.0 [0,0,1,0,0,0|2,1,0]=4 224 B5R0.1 CCOC(=O)C CNP0322418.0 [0,0,1,0,0,0|0,0,0]=1 225 B5R0.1 CCOC(=O)N CNP0336700.0 [0,0,1,0,0,0|1,0,0]=2 226 B5R0.1 CCOC(=O)O CNP0166515.0 [0,0,1,0,0,0|1,0,0]=2 227 B5R0.1 CCOC(C)C CNP0604172.0 [0,0,1,0,0,0|1,0,1]=3 228 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,0,1,0,0,0|0,0,0]=1 229 B5R0.1 CCSC(=N)N CNP0528738.0 [0,0,1,0,0,0|2,1,0]=4 230 B5R0.1 CCSC(=O)C CNP0274861.0 [0,0,1,0,0,0|0,1,0]=2 231 B5R0.1 CCSC(C)C CNP0254931.0 [0,0,1,0,0,0|1,1,1]=4 232 B5R0.1 CCSC(C)S CNP0579398.0 [0,0,1,0,0,0|0,2,1]=4 233 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [0,0,1,0,0,0|2,1,0]=4 234 B5R0.1 CNCC(=O)O CNP0307073.0 [0,0,1,0,0,0|1,0,0]=2 235 B5R0.1 CNCC(=O)O CNP0563704.0 [0,0,1,0,0,0|1,0,0]=2 236 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,0,1,0,0,0|1,0,1]=3 237 B5R0.1 COCC(=O)C CNP0581024.0 [0,0,1,0,0,0|2,0,0]=3 238 B5R0.1 COCC(=O)O CNP0343219.0 [0,0,1,0,0,0|1,0,0]=2 239 B5R0.1 CSCC(=O)C CNP0002513.0 [0,0,1,0,0,0|2,0,0]=3 240 B5R0.1 CSCC(=O)O CNP0447839.0 [0,0,1,0,0,0|1,0,0]=2 241 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,0,1,0,0,0|2,0,1]=4 242 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,0,1,0,0,0|2,0,1]=4 243 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [0,0,1,0,0,0|1,0,0]=2 244 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [0,0,1,0,0,0|1,0,0]=2 245 B5R0.1 N#CCC(=O)N CNP0086390.0 [0,0,1,0,0,0|2,0,1]=4 246 B5R0.1 N#CCC(=O)O CNP0269115.0 [0,0,1,0,0,0|1,0,1]=3 247 B5R0.1 NCCC(=O)O CNP0226336.0 [0,0,1,0,0,0|1,0,0]=2 248 B5R0.1 NCCP(=O)O CNP0498602.0 [0,0,1,0,0,0|2,0,0]=3 249 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [0,0,1,0,0,0|2,0,0]=3 250 B5R0.1 NCC[S@](=O)O CNP0211926.1 [0,0,1,0,0,0|2,0,0]=3 251 B5R0.1 NCNC(=O)N CNP0046326.0 [0,0,1,0,0,0|3,0,0]=4 252 B5R0.1 NOCC(=O)O CNP0293826.0 [0,0,1,0,0,0|2,0,0]=3 253 B5R0.1 O=C(O)C=CBr CNP0310992.0 [0,0,1,0,0,0|1,0,2]=4 254 B5R0.1 O=C(O)C=CCl CNP0293481.0 [0,0,1,0,0,0|1,0,2]=4 255 B5R0.1 O=C(O)C=CI CNP0239582.0 [0,0,1,0,0,0|1,0,2]=4 256 B5R0.1 O=C(O)C=NO CNP0286362.0 [0,0,1,0,0,0|2,0,1]=4 257 B5R0.1 O=C(O)CCO CNP0228379.0 [0,0,1,0,0,0|1,0,0]=2 258 B5R0.1 O=C(O)CCS CNP0097385.0 [0,0,1,0,0,0|1,0,0]=2 259 B5R0.1 O=C(O)CNO CNP0316873.0 [0,0,1,0,0,0|2,0,0]=3 260 B5R0.1 O=CCC(=O)O CNP0149091.0 [0,0,1,0,0,0|1,0,1]=3 261 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,0,1,0,0,0|2,0,1]=4 262 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [0,0,1,0,0,0|1,0,1]=3 263 B5R0.2 C=C=CCC=O CNP0509236.0 [0,0,1,0,0,0|1,0,2]=4 264 B5R0.2 C=CC=CCC CNP0495438.0 [0,0,1,0,0,0|2,0,1]=4 265 B5R0.2 C=CCCC#N CNP0248596.0 [0,0,1,0,0,0|2,0,1]=4 266 B5R0.2 C=CCCC=C CNP0079781.0 [0,0,1,0,0,0|2,0,1]=4 267 B5R0.2 C=CCCC=O CNP0076959.0 [0,0,1,0,0,0|1,0,1]=3 268 B5R0.2 C=CCCCC CNP0264947.0 [0,0,1,0,0,0|2,0,0]=3 269 B5R0.2 C=CCCCO CNP0003396.0 [0,0,1,0,0,0|1,0,0]=2 270 B5R0.2 C=CCOC=C CNP0367857.0 [0,0,1,0,0,0|1,0,2]=4 271 B5R0.2 C=CCOC=O CNP0541341.0 [0,0,1,0,0,0|0,0,2]=3 272 B5R0.2 C=CCSCC CNP0261096.0 [0,0,1,0,0,0|3,0,0]=4 273 B5R0.2 C=CSSCC CNP0003136.0 [0,0,1,0,0,0|2,1,0]=4 274 B5R0.2 CC#CCCO CNP0515871.0 [0,0,1,0,0,0|1,0,2]=4 275 B5R0.2 CC=C=CCO CNP0426440.0 [0,0,1,0,0,0|1,0,2]=4 276 B5R0.2 CC=CCC=O CNP0167409.0 [0,0,1,0,0,0|1,0,2]=4 277 B5R0.2 CC=CCCC CNP0419577.0 [0,0,1,0,0,0|2,0,0]=3 278 B5R0.2 CC=CCCO CNP0253382.0 [0,0,1,0,0,0|1,0,1]=3 279 B5R0.2 CCC=CC=O CNP0328747.0 [0,0,1,0,0,0|1,0,1]=3 280 B5R0.2 CCCC=CO CNP0247153.0 [0,0,1,0,0,0|1,0,1]=3 281 B5R0.2 CCCC=NO CNP0071145.0 [0,0,1,0,0,0|2,0,1]=4 282 B5R0.2 CCCCC#N CNP0357663.0 [0,0,1,0,0,0|2,0,1]=4 283 B5R0.2 CCCCC=O CNP0361186.0 [0,0,1,0,0,0|1,0,0]=2 284 B5R0.2 CCCCCBr CNP0018690.0 [0,0,1,0,0,0|2,0,1]=4 285 B5R0.2 CCCCCC CNP0269021.0 [0,0,1,0,0,0|2,0,1]=4 286 B5R0.2 CCCCCI CNP0017763.0 [0,0,1,0,0,0|2,0,1]=4 287 B5R0.2 CCCCCN CNP0203183.0 [0,0,1,0,0,0|2,0,1]=4 288 B5R0.2 CCCCCO CNP0244882.0 [0,0,1,0,0,0|1,0,1]=3 289 B5R0.2 CCCCCS CNP0260876.0 [0,0,1,0,0,0|1,1,1]=4 290 B5R0.2 CCCCNC CNP0277639.0 [0,0,1,0,0,0|3,0,0]=4 291 B5R0.2 CCCCOC CNP0609033.0 [0,0,1,0,0,0|3,0,0]=4 292 B5R0.2 CCCCSC CNP0562965.0 [0,0,1,0,0,0|3,0,0]=4 293 B5R0.2 CCCC[S+]=O CNP0521772.0 [0,0,1,0,0,0|2,0,0]=3 294 B5R0.2 CCCN=C=S CNP0077279.0 [0,0,1,0,0,0|1,1,1]=4 295 B5R0.2 CCCOC=O CNP0326097.0 [0,0,1,0,0,0|0,0,0]=1 296 B5R0.2 CCCSC#N CNP0395197.0 [0,0,1,0,0,0|1,1,1]=4 297 B5R0.2 CCCSCC CNP0316215.0 [0,0,1,0,0,0|1,1,1]=4 298 B5R0.2 CCCSSC CNP0296815.0 [0,0,1,0,0,0|2,1,0]=4 299 B5R0.2 CCNCCO CNP0396370.0 [0,0,1,0,0,0|2,0,1]=4 300 B5R0.2 CCOCCO CNP0319988.0 [0,0,1,0,0,0|2,0,1]=4 301 B5R0.2 CSCCC=O CNP0136743.0 [0,0,1,0,0,0|2,0,0]=3 302 B5R0.2 CSCCCN CNP0348726.0 [0,0,1,0,0,0|3,0,0]=4 303 B5R0.2 CSCCCO CNP0359993.0 [0,0,1,0,0,0|2,0,0]=3 304 B5R0.2 N#CCCC=O CNP0181263.0 [0,0,1,0,0,0|1,0,1]=3 305 B5R0.2 N#CCCCO CNP0358912.0 [0,0,1,0,0,0|1,0,1]=3 306 B5R0.2 NCCCC=O CNP0359033.0 [0,0,1,0,0,0|1,0,0]=2 307 B5R0.2 NCCCCN CNP0116270.0 [0,0,1,0,0,0|2,0,1]=4 308 B5R0.2 NCCCCO CNP0514594.0 [0,0,1,0,0,0|1,0,1]=3 309 B5R0.2 O=CC=CCO CNP0112016.0 [0,0,1,0,0,0|0,0,2]=3 310 B5R0.2 O=CCCC=O CNP0053830.0 [0,0,1,0,0,0|0,0,2]=3 311 B5R0.2 OCCCCBr CNP0083982.0 [0,0,1,0,0,0|1,0,1]=3 312 B5R0.2 OCCCCCl CNP0079807.0 [0,0,1,0,0,0|1,0,1]=3 313 B5R0.2 OCCCCO CNP0080008.0 [0,0,1,0,0,0|0,0,2]=3 314 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [0,0,1,0,0,0|3,0,0]=4 315 B5R0.3 C#CC(=O)OC CNP0572702.0 [0,0,1,0,0,0|0,0,2]=3 316 B5R0.3 C=C(C#N)CC CNP0541651.0 [0,0,1,0,0,0|3,0,0]=4 317 B5R0.3 C=C(C=O)CC CNP0542605.0 [0,0,1,0,0,0|3,0,0]=4 318 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,0,1,0,0,0|1,0,1]=3 319 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,0,1,0,0,0|0,0,2]=3 320 B5R0.3 CC=C(C)CC CNP0247687.0 [0,0,1,0,0,0|2,0,0]=3 321 B5R0.3 CC=C(C)CO CNP0120418.0 [0,0,1,0,0,0|3,0,0]=4 322 B5R0.3 CCC(=CS)C CNP0025997.0 [0,0,1,0,0,0|3,0,0]=4 323 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,0,1,0,0,0|2,0,0]=3 324 B5R0.3 CCC(=O)CC CNP0270305.0 [0,0,1,0,0,0|1,0,0]=2 325 B5R0.3 CCC(=O)CO CNP0165007.0 [0,0,1,0,0,0|2,0,0]=3 326 B5R0.3 CCC(=O)NN CNP0281170.0 [0,0,1,0,0,0|2,0,0]=3 327 B5R0.3 CCC(=O)OC CNP0166631.0 [0,0,1,0,0,0|0,0,0]=1 328 B5R0.3 CCC(=O)SC CNP0240172.0 [0,0,1,0,0,0|0,1,0]=2 329 B5R0.3 CCC(C)CC CNP0316485.0 [0,0,1,0,0,0|2,0,1]=4 330 B5R0.3 CCC(N)CC CNP0103985.0 [0,0,1,0,0,0|2,0,1]=4 331 B5R0.3 CCC(N)NC CNP0278870.0 [0,0,1,0,0,0|2,0,1]=4 332 B5R0.3 CCC(O)CC CNP0293075.0 [0,0,1,0,0,0|1,0,2]=4 333 B5R0.3 CCC(S)SC CNP0609154.0 [0,0,1,0,0,0|0,2,1]=4 334 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,0,1,0,0,0|2,0,1]=4 335 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,0,1,0,0,0|3,0,0]=4 336 B5R0.3 CC[S](C)CC CNP0523180.0 [0,0,1,0,0,0|3,0,0]=4 337 B5R0.3 CNC(=N)NC CNP0404528.0 [0,0,1,0,0,0|3,0,0]=4 338 B5R0.3 CNC(=O)NC CNP0028412.0 [0,0,1,0,0,0|2,0,0]=3 339 B5R0.3 CNC(=O)OC CNP0483114.0 [0,0,1,0,0,0|1,0,0]=2 340 B5R0.3 COC(=O)CI CNP0017842.0 [0,0,1,0,0,0|1,0,0]=2 341 B5R0.3 COC(=O)NN CNP0033099.0 [0,0,1,0,0,0|2,0,0]=3 342 B5R0.3 COC(C)CO CNP0485411.0 [0,0,1,0,0,0|2,0,1]=4 343 B5R0.3 COC(C)OC CNP0122626.0 [0,0,1,0,0,0|2,0,1]=4 344 B5R0.3 NCC(=O)NO CNP0470573.0 [0,0,1,0,0,0|3,0,0]=4 345 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,0,1,0,0,0|3,0,0]=4 346 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,0,1,0,0,0|3,0,0]=4 347 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,0,1,0,0,0|3,0,0]=4 348 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,0,1,0,0,0|3,0,0]=4 349 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,0,1,0,0,0|3,0,0]=4 350 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,0,1,0,0,0|3,0,0]=4 351 B5R0.3 O=C(CO)CO CNP0303926.0 [0,0,1,0,0,0|3,0,0]=4 352 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,0,1,0,0,0|3,0,0]=4 353 B7R2.13 C1CC2CC2C1 CNP0612213.0 [0,0,0,1,0,0|2,0,1]=4 354 B5R1.2 CC1CCC1 CNP0546383.0 [0,0,0,0,1,0|1,0,1]=3 355 B5R1.2 NC1CCC1 CNP0609061.0 [0,0,0,0,1,0|1,0,1]=3 356 B5R1.2 O=C1CCO1 CNP0555602.0 [0,0,0,0,1,0|0,0,0]=1 357 B5R1.2 OC1CCC1 CNP0562500.0 [0,0,0,0,1,0|0,0,2]=3 358 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [0,0,0,0,1,0|1,0,1]=3 359 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,0,0,0,0,1|2,0,1]=4 360 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,0,0,1|2,0,0]=3 361 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,0,0,1|2,0,1]=4 362 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,0,0,0,1|2,0,1]=4 363 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,0,0,1|2,0,0]=3 364 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,0,0,1|2,0,1]=4 365 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,0,0,1|1,0,1]=3 366 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,0,0,0,0,1|2,0,1]=4 367 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,0,0,0,1|1,0,1]=3 368 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,0,0,0,0,1|3,0,0]=4 369 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,0,0,0,0,1|3,0,0]=4 370 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,0,0,1|2,0,1]=4 371 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,0,0,0,0,1|1,0,1]=3 372 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,0,0,1|2,0,1]=4 373 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,0,0,0,0,1|2,0,1]=4 374 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,0,0,0,0,1|1,0,2]=4 375 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,0,0,0,0,1|0,0,3]=4 376 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,0,0,1|1,0,0]=2 377 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,0,0,1|1,0,1]=3 378 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,0,0,1|1,0,1]=3 379 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,0,0,0,1|0,0,1]=2 380 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,0,0,1|1,0,0]=2 381 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,0,0,1|1,0,0]=2 382 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,0,0,1|1,0,0]=2 383 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,0,0,1|0,0,0]=1 384 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,0,0,1|1,0,0]=2 385 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,0,0,0,1|1,0,0]=2 386 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,0,0,0,0,1|1,0,2]=4 387 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,0,0,1|1,0,1]=3 388 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,0,0,0,0,1|1,0,2]=4 389 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,0,0,1|1,0,1]=3 390 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,0,0,1|1,0,2]=4 391 B7R1.3 OC1COCOC1 CNP0567932.0 [0,0,0,0,0,1|1,0,2]=4 392 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,0,0,0,1|1,0,2]=4 393 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,0,0,0,1|1,0,2]=4 394 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,0,0,0,0,1|0,1,0]=2 395 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [0,0,0,0,0,1|1,1,1]=4 396 B4R0.1 C#CC(=O)O CNP0579203.0 [1,0,1,0,0,0|0,0,2]=4 397 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,1,0,0,0|1,0,0]=3 398 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,1,0,0,0|2,0,0]=4 399 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,1,0,0,0|0,0,2]=4 400 B4R0.1 C=CC(=O)O CNP0590547.0 [1,0,1,0,0,0|0,0,2]=4 401 B4R0.1 CC(=O)C#N CNP0551952.0 [1,0,1,0,0,0|1,0,1]=4 402 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,1,0,0,0|1,0,1]=4 403 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,1,0,0,0|1,0,0]=3 404 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,1,0,0,0|1,0,0]=3 405 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,1,0,0,0|1,0,0]=3 406 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,1,0,0,0|1,0,0]=3 407 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,1,0,0,0|1,0,0]=3 408 B4R0.1 CC(=O)N=N CNP0591627.0 [1,0,1,0,0,0|2,0,0]=4 409 B4R0.1 CC(=O)NN CNP0503904.0 [1,0,1,0,0,0|2,0,0]=4 410 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,1,0,0,0|2,0,0]=4 411 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,1,0,0,0|1,0,0]=3 412 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [1,0,1,0,0,0|1,0,0]=3 413 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,1,0,0,0|1,0,1]=4 414 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,1,0,0,0|1,1,0]=4 415 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,1,0,0,0|1,0,0]=3 416 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,1,0,0,0|0,0,0]=2 417 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,1,0,0,0|1,0,0]=3 418 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,1,0,0,0|1,0,0]=3 419 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,1,0,0,0|1,0,0]=3 420 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,1,0,0,0|0,0,0]=2 421 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,1,0,0,0|0,0,1]=3 422 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,1,0,0,0|0,0,1]=3 423 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,1,0,0,0|0,0,1]=3 424 B4R0.1 CCC(C)C CNP0492867.0 [1,0,1,0,0,0|1,0,1]=4 425 B4R0.1 CCC(C)N CNP0520467.0 [1,0,1,0,0,0|1,0,1]=4 426 B4R0.1 CCC(O)O CNP0533578.0 [1,0,1,0,0,0|0,0,2]=4 427 B4R0.1 CCC(O)S CNP0612126.0 [1,0,1,0,0,0|0,1,1]=4 428 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,1,0,0,0|0,0,2]=4 429 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,1,0,0,0|0,1,1]=4 430 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,1,0,0,0|0,0,2]=4 431 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,1,0,0,0|1,0,0]=3 432 B4R0.1 CNC(=O)N CNP0576116.0 [1,0,1,0,0,0|2,0,0]=4 433 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,1,0,0,0|1,0,0]=3 434 B4R0.1 COC(=O)C CNP0578880.0 [1,0,1,0,0,0|0,0,0]=2 435 B4R0.1 COC(=O)N CNP0575874.0 [1,0,1,0,0,0|1,0,0]=3 436 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,1,0,0,0|0,1,0]=3 437 B4R0.1 N=CC(=O)O CNP0521453.0 [1,0,1,0,0,0|1,0,1]=4 438 B4R0.1 NC(=O)CCl CNP0572781.0 [1,0,1,0,0,0|2,0,0]=4 439 B4R0.1 NC(=O)CI CNP0573172.0 [1,0,1,0,0,0|2,0,0]=4 440 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,1,0,0,0|2,0,0]=4 441 B4R0.1 NCC(=O)N CNP0542212.0 [1,0,1,0,0,0|2,0,0]=4 442 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,1,0,0,0|1,0,0]=3 443 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,0,1,0,0,0|1,0,1]=4 444 B4R0.1 O=C(Cl)CCl CNP0491057.0 [1,0,1,0,0,0|2,0,0]=4 445 B4R0.1 O=C(Cl)CI CNP0533753.0 [1,0,1,0,0,0|2,0,0]=4 446 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,1,0,0,0|1,0,0]=3 447 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,1,0,0,0|1,0,0]=3 448 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,1,0,0,0|1,0,0]=3 449 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,1,0,0,0|1,0,0]=3 450 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,1,0,0,0|1,0,0]=3 451 B4R0.1 O=CC(=O)O CNP0571230.0 [1,0,1,0,0,0|1,0,1]=4 452 B4R0.2 C#CCC=O CNP0596193.0 [1,0,1,0,0,0|0,0,2]=4 453 B4R0.2 C#CCCC CNP0510243.0 [1,0,1,0,0,0|1,0,1]=4 454 B4R0.2 C#CCCO CNP0577358.0 [1,0,1,0,0,0|0,0,2]=4 455 B4R0.2 C=C=CCC CNP0484675.0 [1,0,1,0,0,0|1,0,1]=4 456 B4R0.2 C=CCCC CNP0529271.0 [1,0,1,0,0,0|1,0,0]=3 457 B4R0.2 C=CCCN CNP0493733.0 [1,0,1,0,0,0|1,0,1]=4 458 B4R0.2 C=CCCO CNP0599473.0 [1,0,1,0,0,0|0,0,1]=3 459 B4R0.2 C=CCSC CNP0572475.0 [1,0,1,0,0,0|2,0,0]=4 460 B4R0.2 C=CCSO CNP0600527.0 [1,0,1,0,0,0|1,0,1]=4 461 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,1,0,0,0|2,0,0]=4 462 B4R0.2 C=COCC CNP0567970.0 [1,0,1,0,0,0|0,0,1]=3 463 B4R0.2 C=CSCC CNP0581257.0 [1,0,1,0,0,0|0,1,1]=4 464 B4R0.2 CC#CCC CNP0516358.0 [1,0,1,0,0,0|1,0,1]=4 465 B4R0.2 CC=CC=O CNP0576575.0 [1,0,1,0,0,0|0,0,2]=4 466 B4R0.2 CC=CCC CNP0524560.0 [1,0,1,0,0,0|1,0,0]=3 467 B4R0.2 CC=CCO CNP0498228.0 [1,0,1,0,0,0|1,0,1]=4 468 B4R0.2 CC=CCS CNP0606069.0 [1,0,1,0,0,0|2,0,0]=4 469 B4R0.2 CC=CSC CNP0587371.0 [1,0,1,0,0,0|0,1,1]=4 470 B4R0.2 CCC#CO CNP0612045.0 [1,0,1,0,0,0|0,0,2]=4 471 B4R0.2 CCC=NO CNP0599998.0 [1,0,1,0,0,0|1,0,1]=4 472 B4R0.2 CCC=S=O CNP0514855.0 [1,0,1,0,0,0|0,1,1]=4 473 B4R0.2 CCCC=O CNP0518034.0 [1,0,1,0,0,0|0,0,0]=2 474 B4R0.2 CCCCC CNP0486380.0 [1,0,1,0,0,0|1,0,1]=4 475 B4R0.2 CCCCI CNP0558480.0 [1,0,1,0,0,0|1,0,1]=4 476 B4R0.2 CCCCN CNP0597509.0 [1,0,1,0,0,0|1,0,1]=4 477 B4R0.2 CCCCO CNP0505612.0 [1,0,1,0,0,0|0,0,1]=3 478 B4R0.2 CCCCS CNP0598878.0 [1,0,1,0,0,0|0,1,1]=4 479 B4R0.2 CCCNC CNP0599313.0 [1,0,1,0,0,0|1,0,1]=4 480 B4R0.2 CCCOC CNP0609062.0 [1,0,1,0,0,0|0,0,1]=3 481 B4R0.2 CCCSC CNP0481317.0 [1,0,1,0,0,0|0,1,1]=4 482 B4R0.2 CCCSO CNP0594110.0 [1,0,1,0,0,0|1,0,0]=3 483 B4R0.2 CCNCC CNP0491960.0 [1,0,1,0,0,0|1,0,1]=4 484 B4R0.2 CCOC=O CNP0525155.0 [1,0,1,0,0,0|0,0,0]=2 485 B4R0.2 CCOCC CNP0572765.0 [1,0,1,0,0,0|0,0,1]=3 486 B4R0.2 CCON=O CNP0596964.0 [1,0,1,0,0,0|1,0,0]=3 487 B4R0.2 CCSCC CNP0518873.0 [1,0,1,0,0,0|0,1,1]=4 488 B4R0.2 CCSSC CNP0571147.0 [1,0,1,0,0,0|1,1,0]=4 489 B4R0.2 CNCCO CNP0513801.0 [1,0,1,0,0,0|1,0,1]=4 490 B4R0.2 COCCI CNP0495552.0 [1,0,1,0,0,0|1,0,1]=4 491 B4R0.2 COCCO CNP0561250.0 [1,0,1,0,0,0|1,0,1]=4 492 B4R0.2 COCC[Si] CNP0501162.0 [1,0,1,0,0,0|0,1,1]=4 493 B4R0.2 CSCC=O CNP0555203.0 [1,0,1,0,0,0|1,0,0]=3 494 B4R0.2 CSCCO CNP0574269.0 [1,0,1,0,0,0|1,0,1]=4 495 B4R0.2 NCCC=O CNP0502520.0 [1,0,1,0,0,0|1,0,0]=3 496 B4R0.2 NCCCN CNP0566837.0 [1,0,1,0,0,0|2,0,0]=4 497 B4R0.2 NCCCO CNP0538228.0 [1,0,1,0,0,0|1,0,0]=3 498 B4R0.2 NCCCS CNP0560812.0 [1,0,1,0,0,0|1,1,0]=4 499 B4R0.2 O=CCC=O CNP0495847.0 [1,0,1,0,0,0|0,0,2]=4 500 B4R0.2 O=CCCO CNP0525339.0 [1,0,1,0,0,0|0,0,0]=2 501 B4R0.2 OCC=CCl CNP0578872.0 [1,0,1,0,0,0|1,0,1]=4 502 B4R0.2 OCCCBr CNP0506989.0 [1,0,1,0,0,0|1,0,0]=3 503 B4R0.2 OCCCO CNP0503416.0 [1,0,1,0,0,0|0,0,1]=3 504 B4R0.2 OCCCS CNP0586497.0 [1,0,1,0,0,0|0,1,0]=3 505 B4R0.2 SCCCS CNP0528691.0 [1,0,1,0,0,0|0,2,0]=4 506 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,1,0,0,0|1,0,1]=4 507 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,1,1,0,0,0|1,0,1]=4 508 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,1,1,0,0,0|1,0,1]=4 509 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,1,1,0,0,0|2,0,0]=4 510 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,1,1,0,0,0|2,0,0]=4 511 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,1,1,0,0,0|1,0,0]=3 512 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,1,1,0,0,0|0,0,1]=3 513 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,1,1,0,0,0|1,0,1]=4 514 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,1,1,0,0,0|1,0,1]=4 515 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,1,1,0,0,0|0,0,2]=4 516 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,1,1,0,0,0|2,0,0]=4 517 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,1,1,0,0,0|1,0,0]=3 518 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,1,0,0,0|1,0,1]=4 519 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,1,0,0,0|1,0,0]=3 520 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,1,1,0,0,0|1,0,0]=3 521 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,1,1,0,0,0|0,0,1]=3 522 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,1,0,0,0|1,0,0]=3 523 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,1,0,0,0|0,0,0]=2 524 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,1,0,0,0|0,0,0]=2 525 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,1,1,0,0,0|0,1,0]=3 526 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,1,0,0,0|1,0,1]=4 527 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,1,0,0,0|1,0,1]=4 528 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,1,0,0,0|1,0,1]=4 529 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,1,0,0,0|1,0,1]=4 530 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,1,0,0,0|1,0,1]=4 531 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,1,1,0,0,0|1,0,0]=3 532 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,1,1,0,0,0|1,0,0]=3 533 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,1,1,0,0,0|0,0,1]=3 534 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,1,1,0,0,0|0,0,0]=2 535 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,1,1,0,0,0|0,0,0]=2 536 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,1,1,0,0,0|0,0,0]=2 537 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,1,0,0,0|1,0,1]=4 538 B6R0.1 CCOC(C)OC CNP0612171.0 [0,1,1,0,0,0|0,0,2]=4 539 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,1,1,0,0,0|0,0,2]=4 540 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,1,1,0,0,0|0,1,0]=3 541 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,1,1,0,0,0|1,0,0]=3 542 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,1,1,0,0,0|1,0,1]=4 543 B6R0.1 COC(=O)CSC CNP0189712.0 [0,1,1,0,0,0|1,0,0]=3 544 B6R0.1 COCC(=O)OC CNP0202591.0 [0,1,1,0,0,0|1,0,0]=3 545 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,1,1,0,0,0|1,0,1]=4 546 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,1,1,0,0,0|1,0,1]=4 547 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,1,1,0,0,0|0,0,2]=4 548 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,1,1,0,0,0|0,0,2]=4 549 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,1,1,0,0,0|0,0,2]=4 550 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,1,1,0,0,0|0,0,2]=4 551 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,1,1,0,0,0|2,0,0]=4 552 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,1,1,0,0,0|1,0,1]=4 553 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,1,1,0,0,0|1,0,1]=4 554 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,1,1,0,0,0|1,0,1]=4 555 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,1,1,0,0,0|1,0,1]=4 556 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,1,1,0,0,0|1,0,1]=4 557 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,1,1,0,0,0|1,0,1]=4 558 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,1,1,0,0,0|0,0,1]=3 559 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,1,1,0,0,0|1,0,0]=3 560 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,1,1,0,0,0|1,0,0]=3 561 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,1,1,0,0,0|1,0,0]=3 562 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,1,1,0,0,0|1,0,1]=4 563 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,1,1,0,0,0|0,0,1]=3 564 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,1,1,0,0,0|0,0,0]=2 565 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,1,1,0,0,0|0,1,1]=4 566 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,1,1,0,0,0|0,1,1]=4 567 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,1,1,0,0,0|0,1,0]=3 568 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,1,1,0,0,0|1,0,0]=3 569 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,1,1,0,0,0|1,0,1]=4 570 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,1,1,0,0,0|2,0,0]=4 571 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,1,1,0,0,0|1,0,0]=3 572 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,1,1,0,0,0|2,0,0]=4 573 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,1,1,0,0,0|2,0,0]=4 574 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,1,1,0,0,0|1,0,0]=3 575 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,1,1,0,0,0|0,0,0]=2 576 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,1,1,0,0,0|0,0,0]=2 577 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,1,1,0,0,0|1,0,1]=4 578 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,1,1,0,0,0|0,0,0]=2 579 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,1,1,0,0,0|0,0,0]=2 580 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,1,1,0,0,0|0,0,0]=2 581 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,1,1,0,0,0|0,0,1]=3 582 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,1,1,0,0,0|1,0,0]=3 583 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,1,1,0,0,0|1,0,1]=4 584 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,1,1,0,0,0|1,0,1]=4 585 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,1,1,0,0,0|1,0,1]=4 586 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [0,1,1,0,0,0|0,0,2]=4 587 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,1,0,0,0|2,0,0]=4 588 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,1,1,0,0,0|0,0,1]=3 589 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,1,1,0,0,0|1,0,1]=4 590 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,1,1,0,0,0|1,0,1]=4 591 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,1,1,0,0,0|0,0,2]=4 592 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,1,1,0,0,0|0,0,2]=4 593 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,1,1,0,0,0|1,0,1]=4 594 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,1,1,0,0,0|0,0,2]=4 595 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,1,1,0,0,0|0,0,2]=4 596 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,1,1,0,0,0|2,0,0]=4 597 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,1,1,0,0,0|1,0,0]=3 598 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,1,1,0,0,0|0,0,1]=3 599 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,1,0,0,0|1,0,0]=3 600 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,1,1,0,0,0|1,0,1]=4 601 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,1,0,0,0|1,0,0]=3 602 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,1,0,0,0|1,0,0]=3 603 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,1,1,0,0,0|1,0,0]=3 604 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,1,1,0,0,0|1,0,0]=3 605 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,1,1,0,0,0|0,0,0]=2 606 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,1,1,0,0,0|0,0,2]=4 607 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,1,1,0,0,0|1,0,1]=4 608 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,1,1,0,0,0|0,0,0]=2 609 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,1,0,0,0|1,0,0]=3 610 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,1,1,0,0,0|0,0,0]=2 611 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,1,0,0,0|1,0,0]=3 612 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,1,1,0,0,0|1,0,0]=3 613 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,1,1,0,0,0|1,0,0]=3 614 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,1,1,0,0,0|0,0,0]=2 615 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,1,1,0,0,0|1,0,1]=4 616 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,1,1,0,0,0|0,0,0]=2 617 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,1,1,0,0,0|0,0,0]=2 618 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,1,1,0,0,0|1,0,1]=4 619 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,1,1,0,0,0|1,0,0]=3 620 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,1,1,0,0,0|1,0,0]=3 621 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,1,1,0,0,0|2,0,0]=4 622 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,1,1,0,0,0|1,0,1]=4 623 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,1,1,0,0,0|2,0,0]=4 624 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,1,1,0,0,0|2,0,0]=4 625 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,1,1,0,0,0|1,0,1]=4 626 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,1,1,0,0,0|1,0,0]=3 627 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,1,0,0,0|1,0,0]=3 628 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,1,1,0,0,0|1,0,0]=3 629 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,1,0,0,0|1,0,0]=3 630 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,1,1,0,0,0|2,0,0]=4 631 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,1,1,0,0,0|2,0,0]=4 632 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,1,1,0,0,0|2,0,0]=4 633 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,1,1,0,0,0|1,0,0]=3 634 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,1,1,0,0,0|1,0,0]=3 635 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,1,1,0,0,0|1,0,0]=3 636 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,1,1,0,0,0|1,0,1]=4 637 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,1,1,0,0,0|1,0,0]=3 638 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,1,1,0,0,0|1,0,0]=3 639 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,1,1,0,0,0|1,0,0]=3 640 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,1,1,0,0,0|1,0,0]=3 641 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,1,1,0,0,0|1,0,0]=3 642 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,1,1,0,0,0|1,0,0]=3 643 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,1,1,0,0,0|1,0,0]=3 644 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,1,1,0,0,0|1,0,0]=3 645 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,1,1,0,0,0|1,0,0]=3 646 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,1,1,0,0,0|1,0,1]=4 647 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,1,1,0,0,0|1,0,1]=4 648 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,1,1,0,0,0|1,0,0]=3 649 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,1,1,0,0,0|1,0,0]=3 650 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,1,1,0,0,0|1,0,0]=3 651 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,1,1,0,0,0|1,0,0]=3 652 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,1,1,0,0,0|1,0,0]=3 653 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,1,1,0,0,0|1,0,1]=4 654 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,1,1,0,0,0|1,0,1]=4 655 B6R0.4 C#CNCC(=O)O CNP0073758.0 [0,1,1,0,0,0|0,0,2]=4 656 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,1,1,0,0,0|2,0,0]=4 657 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,1,1,0,0,0|1,0,1]=4 658 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,1,1,0,0,0|1,0,1]=4 659 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,1,1,0,0,0|0,0,1]=3 660 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,1,1,0,0,0|0,0,1]=3 661 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,1,1,0,0,0|0,1,1]=4 662 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,1,1,0,0,0|2,0,0]=4 663 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,1,1,0,0,0|2,0,0]=4 664 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,1,1,0,0,0|1,0,1]=4 665 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,1,1,0,0,0|1,0,0]=3 666 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,1,1,0,0,0|1,0,0]=3 667 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,1,1,0,0,0|1,0,0]=3 668 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,1,1,0,0,0|0,0,0]=2 669 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,1,1,0,0,0|0,0,0]=2 670 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,1,1,0,0,0|0,0,0]=2 671 B6R0.4 CC(C)OCCO CNP0079907.0 [0,1,1,0,0,0|1,0,1]=4 672 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,1,1,0,0,0|0,0,1]=3 673 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,1,1,0,0,0|1,0,0]=3 674 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,1,1,0,0,0|0,0,1]=3 675 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,1,1,0,0,0|1,0,0]=3 676 B6R0.4 CCCCB(O)O CNP0482760.0 [0,1,1,0,0,0|1,0,1]=4 677 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,1,1,0,0,0|1,0,0]=3 678 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,1,1,0,0,0|1,0,0]=3 679 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,1,1,0,0,0|0,0,0]=2 680 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,1,1,0,0,0|0,0,0]=2 681 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,1,1,0,0,0|1,0,1]=4 682 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,1,1,0,0,0|1,0,1]=4 683 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,1,1,0,0,0|1,0,0]=3 684 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,1,1,0,0,0|0,0,0]=2 685 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,1,1,0,0,0|0,1,0]=3 686 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,1,1,0,0,0|0,0,0]=2 687 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,1,1,0,0,0|1,0,0]=3 688 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,1,1,0,0,0|0,0,0]=2 689 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,1,1,0,0,0|0,0,2]=4 690 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,1,1,0,0,0|0,0,0]=2 691 B6R0.4 COCC=C(C)C CNP0493784.0 [0,1,1,0,0,0|2,0,0]=4 692 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,1,1,0,0,0|0,0,2]=4 693 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,1,1,0,0,0|1,0,0]=3 694 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,1,1,0,0,0|1,0,0]=3 695 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,1,1,0,0,0|0,0,0]=2 696 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,1,1,0,0,0|1,0,1]=4 697 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,1,1,0,0,0|0,1,0]=3 698 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,1,1,0,0,0|0,0,1]=3 699 B6R0.4 N=CNCC(=O)O CNP0218776.0 [0,1,1,0,0,0|1,0,1]=4 700 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,1,1,0,0,0|1,0,0]=3 701 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,1,1,0,0,0|0,0,2]=4 702 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,1,1,0,0,0|0,0,0]=2 703 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,1,1,0,0,0|0,0,2]=4 704 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,1,1,0,0,0|0,0,0]=2 705 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,1,1,0,0,0|0,0,1]=3 706 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,1,1,0,0,0|0,0,1]=3 707 B6R0.4 O=CNCC(=O)O CNP0082901.0 [0,1,1,0,0,0|1,0,1]=4 708 B6R0.4 O=S(=O)OCCO CNP0082071.0 [0,1,1,0,0,0|2,0,0]=4 709 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,1,1,0,0,0|1,0,1]=4 710 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,1,1,0,0,0|1,0,1]=4 711 B6R0.5 CCCC(O)(O)O CNP0084720.0 [0,1,1,0,0,0|0,0,2]=4 712 B6R0.5 CCOC(C)(C)C CNP0285210.0 [0,1,1,0,0,0|1,0,1]=4 713 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [0,1,1,0,0,0|2,0,0]=4 714 B6R0.5 CCOS(=O)(=O)C CNP0401842.0 [0,1,1,0,0,0|1,0,0]=3 715 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [0,1,1,0,0,0|2,0,0]=4 716 B6R0.5 NCCP(=O)(O)O CNP0284279.0 [0,1,1,0,0,0|2,0,0]=4 717 B6R0.5 NCCS(=O)(=O)O CNP0178735.0 [0,1,1,0,0,0|2,0,0]=4 718 B6R0.5 NCC[S@](=O)(=S)O CNP0018006.1 [0,1,1,0,0,0|2,0,0]=4 719 B6R0.5 O=P(O)(O)CCBr CNP0439057.0 [0,1,1,0,0,0|2,0,0]=4 720 B6R0.5 O=P(O)(O)CCCl CNP0610068.0 [0,1,1,0,0,0|2,0,0]=4 721 B6R0.5 O=P(O)(O)CCO CNP0207938.0 [0,1,1,0,0,0|2,0,0]=4 722 B6R0.5 O=S(=O)(O)CCO CNP0267265.0 [0,1,1,0,0,0|2,0,0]=4 723 B6R0.5 O=S(=O)(O)CCS CNP0132548.0 [0,1,1,0,0,0|2,0,0]=4 724 B6R0.6 C#CCCCCO CNP0289179.0 [0,1,1,0,0,0|1,0,1]=4 725 B6R0.6 C=CC=CCCC CNP0526826.0 [0,1,1,0,0,0|2,0,0]=4 726 B6R0.6 C=CCCCC#N CNP0287374.0 [0,1,1,0,0,0|2,0,0]=4 727 B6R0.6 C=CCCCC=C CNP0115869.0 [0,1,1,0,0,0|2,0,0]=4 728 B6R0.6 C=CCCCCC CNP0226691.0 [0,1,1,0,0,0|2,0,0]=4 729 B6R0.6 C=CCCCCO CNP0162421.0 [0,1,1,0,0,0|1,0,0]=3 730 B6R0.6 C=CCOCCO CNP0248950.0 [0,1,1,0,0,0|1,0,0]=3 731 B6R0.6 C=CCSCCC CNP0150756.0 [0,1,1,0,0,0|1,1,0]=4 732 B6R0.6 C=COCCCC CNP0077236.0 [0,1,1,0,0,0|1,0,0]=3 733 B6R0.6 CC#CCCCO CNP0320046.0 [0,1,1,0,0,0|1,0,1]=4 734 B6R0.6 CC=CCCC=O CNP0056069.0 [0,1,1,0,0,0|1,0,1]=4 735 B6R0.6 CC=CCCCC CNP0158475.0 [0,1,1,0,0,0|2,0,0]=4 736 B6R0.6 CC=CCCCO CNP0309139.0 [0,1,1,0,0,0|1,0,0]=3 737 B6R0.6 CC=CCSCC CNP0575773.0 [0,1,1,0,0,0|2,0,0]=4 738 B6R0.6 CC=CSCCC CNP0320861.0 [0,1,1,0,0,0|1,1,0]=4 739 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,1,1,0,0,0|1,0,1]=4 740 B6R0.6 CCC=CCC=O CNP0227189.0 [0,1,1,0,0,0|1,0,1]=4 741 B6R0.6 CCC=CCCC CNP0391454.0 [0,1,1,0,0,0|2,0,0]=4 742 B6R0.6 CCC=CCCO CNP0255718.0 [0,1,1,0,0,0|1,0,1]=4 743 B6R0.6 CCCC=CC=O CNP0263913.0 [0,1,1,0,0,0|1,0,0]=3 744 B6R0.6 CCCC=CCO CNP0254124.0 [0,1,1,0,0,0|1,0,1]=4 745 B6R0.6 CCCC=CNO CNP0162409.0 [0,1,1,0,0,0|1,0,1]=4 746 B6R0.6 CCCCC=CO CNP0511187.0 [0,1,1,0,0,0|1,0,1]=4 747 B6R0.6 CCCCC=NO CNP0149695.0 [0,1,1,0,0,0|1,0,1]=4 748 B6R0.6 CCCCCC=O CNP0304790.0 [0,1,1,0,0,0|1,0,0]=3 749 B6R0.6 CCCCCCO CNP0317600.0 [0,1,1,0,0,0|1,0,1]=4 750 B6R0.6 CCCCCOC CNP0358174.0 [0,1,1,0,0,0|1,0,1]=4 751 B6R0.6 CCCCNC=O CNP0082472.0 [0,1,1,0,0,0|1,0,0]=3 752 B6R0.6 CCCCOC=O CNP0282325.0 [0,1,1,0,0,0|0,0,0]=2 753 B6R0.6 CCCCON=O CNP0003508.0 [0,1,1,0,0,0|1,0,0]=3 754 B6R0.6 CCCOCCO CNP0079853.0 [0,1,1,0,0,0|0,0,2]=4 755 B6R0.6 CCOCCCO CNP0304052.0 [0,1,1,0,0,0|1,0,1]=4 756 B6R0.6 CCOCCCS CNP0267296.0 [0,1,1,0,0,0|1,0,1]=4 757 B6R0.6 CCSCCCO CNP0355297.0 [0,1,1,0,0,0|1,0,1]=4 758 B6R0.6 COCCCCO CNP0570905.0 [0,1,1,0,0,0|0,0,2]=4 759 B6R0.6 CSCCCC=O CNP0002814.0 [0,1,1,0,0,0|0,1,0]=3 760 B6R0.6 CSCCCCO CNP0002400.0 [0,1,1,0,0,0|0,1,1]=4 761 B6R0.6 NCCCCC=O CNP0083786.0 [0,1,1,0,0,0|1,0,0]=3 762 B6R0.6 NCCCCCO CNP0032450.0 [0,1,1,0,0,0|1,0,1]=4 763 B6R0.6 O=CCCCC=O CNP0204417.0 [0,1,1,0,0,0|0,0,1]=3 764 B6R0.6 OCCCCCO CNP0201249.0 [0,1,1,0,0,0|0,0,2]=4 765 B6R0.6 OCCCN=C=S CNP0612043.0 [0,1,1,0,0,0|0,1,1]=4 766 B6R0.6 OCCNCCO CNP0247543.0 [0,1,1,0,0,0|0,0,2]=4 767 B6R0.6 OCCOCCO CNP0333860.0 [0,1,1,0,0,0|0,0,2]=4 768 B6R0.6 OCCSCCO CNP0335773.0 [0,1,1,0,0,0|0,0,2]=4 769 B6R0.8 COP(=O)(N)SC CNP0341467.0 [0,1,1,0,0,0|2,0,0]=4 770 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,1,1,0,0,0|1,0,1]=4 771 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,1,1,0,0,0|1,0,0]=3 772 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,1,1,0,0,0|2,0,0]=4 773 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,1,1,0,0,0|1,0,1]=4 774 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,1,1,0,0,0|1,0,1]=4 775 B6R0.9 CCC(OC)OC CNP0171881.0 [0,1,1,0,0,0|0,0,2]=4 776 B6R0.9 CCN(CC)N=O CNP0419123.0 [0,1,1,0,0,0|2,0,0]=4 777 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,1,0,0,1,0|0,0,0]=2 778 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,1,0,0,1,0|0,0,0]=2 779 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,1,0,0,1,0|0,0,0]=2 780 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,1,0,0,1,0|1,0,1]=4 781 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,1,0,0,0,1|2,0,0]=4 782 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,0,0,1|2,0,0]=4 783 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,1,0,0,0,1|1,0,1]=4 784 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,1,0,0,0,1|1,0,1]=4 785 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,0,0,1|1,0,1]=4 786 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,1,0,0,0,1|2,0,0]=4 787 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,1,0,0,0,1|1,0,1]=4 788 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,0,0,1|1,0,0]=3 789 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,1,0,0,0,1|1,0,1]=4 790 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,1,0,0,0,1|2,0,0]=4 791 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [0,1,0,0,0,1|2,0,0]=4 792 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [0,1,0,0,0,1|2,0,0]=4 793 B8R1.2 O=NN1CCOCC1 CNP0158830.0 [0,1,0,0,0,1|2,0,0]=4 794 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,0,0,1|1,0,1]=4 795 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [0,1,0,0,0,1|0,0,2]=4 796 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,1,0,0,0,1|0,0,2]=4 797 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [0,1,0,0,0,1|0,0,2]=4 798 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,1,0,0,0,1|1,0,1]=4 799 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,0,0,1|1,0,1]=4 800 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,0,0,1|1,0,0]=3 801 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,0,0,1|0,0,0]=2 802 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,1,0,0,0,1|1,0,0]=3 803 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,1,0,0,0,1|1,0,1]=4 804 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,1,0,0,0,1|0,0,2]=4 805 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,1,0,0,0,1|1,0,1]=4 806 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,1,0,0,0,1|1,0,1]=4 807 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,1,0,0,0,1|1,0,0]=3 808 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,1,0,0,0,1|0,0,0]=2 809 B8R1.3 O=C1CNC(=O)CN1 CNP0395351.0 [0,1,0,0,0,1|1,0,1]=4 810 B8R1.3 OC1COC(CO1)O CNP0129364.0 [0,1,0,0,0,1|0,0,2]=4 811 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,0,0,1|1,0,0]=3 812 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,0,0,1|1,0,1]=4 813 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,0,0,1|0,0,1]=3 814 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,0,0,1|2,0,0]=4 815 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,0,0,1|1,0,1]=4 816 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,0,0,1|2,0,0]=4 817 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,0,0,1|1,0,0]=3 818 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,0,0,1|2,0,0]=4 819 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,0,0,1|1,0,0]=3 820 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,0,0,1|0,0,0]=2 821 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [0,1,0,0,0,1|0,0,2]=4 822 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,0,0,1|0,0,1]=3 823 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,0,0,1|1,0,0]=3 824 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,0,0,1|0,0,0]=2 825 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,0,0,1|0,0,1]=3 826 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,0,0,1|1,0,0]=3 827 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,0,0,1|0,0,0]=2 828 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,1,0,0,0,1|0,1,0]=3 829 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,1,0,0,0,1|1,0,1]=4 830 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,0,0,1|1,0,0]=3 831 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,1,0,0,0,1|0,0,1]=3 832 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,0,0,1|0,0,0]=2 833 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,1,0,0,0,1|1,0,1]=4 834 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,0,0,1|2,0,0]=4 835 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,0,0,1|2,0,0]=4 836 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,0,0,1|2,0,0]=4 837 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,0,0,1|1,0,0]=3 838 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,0,0,1|0,0,0]=2 839 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,0,0,1|1,0,0]=3 840 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,0,0,1|1,0,0]=3 841 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,0,0,1|1,0,0]=3 842 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,0,0,1|1,0,0]=3 843 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,0,0,1|1,0,0]=3 844 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,1,0,0,0,1|1,0,1]=4 845 B8R1.72 O=S1(=O)CCCSC1 CNP0151119.0 [0,1,0,0,0,1|1,1,0]=4 846 B8R1.1 C=C[C@@H]1CN=C(O1)S CNP0575613.1 [0,2,0,0,0,0|1,1,0]=4 847 B8R1.1 C=C[C@@H]1CNC(=S)O1 CNP0252373.1 [0,2,0,0,0,0|1,1,0]=4 848 B8R1.1 C=C[C@H]1CN=C(O1)S CNP0575613.2 [0,2,0,0,0,0|1,1,0]=4 849 B8R1.1 C=C[C@H]1CNC(=S)O1 CNP0252373.2 [0,2,0,0,0,0|1,1,0]=4 850 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [0,2,0,0,0,0|0,0,2]=4 851 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,2,0,0,0,0|1,0,1]=4 852 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,2,0,0,0,0|0,0,2]=4 853 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [0,2,0,0,0,0|1,0,1]=4 854 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,2,0,0,0,0|0,0,2]=4 855 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,2,0,0,0,0|0,0,0]=2 856 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,2,0,0,0,0|1,1,0]=4 857 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,2,0,0,0,0|0,0,0]=2 858 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,2,0,0,0,0|0,0,0]=2 859 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,2,0,0,0,0|1,1,0]=4 860 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,2,0,0,0,0|0,0,2]=4 861 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,2,0,0,0,0|1,0,1]=4 862 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [0,2,0,0,0,0|1,0,1]=4 863 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,2,0,0,0,0|1,0,0]=3 864 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,2,0,0,0,0|0,0,0]=2 865 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,2,0,0,0,0|0,0,0]=2 866 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,2,0,0,0,0|0,0,2]=4 867 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,2,0,0,0,0|0,0,2]=4 868 B8R1.1 O=C1CCC(=N1)NO CNP0611972.0 [0,2,0,0,0,0|1,0,1]=4 869 B8R1.1 O=C1CCC(=NO)N1 CNP0248751.0 [0,2,0,0,0,0|1,0,1]=4 870 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,2,0,0,0,0|1,0,0]=3 871 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,2,0,0,0,0|1,0,0]=3 872 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,2,0,0,0,0|0,0,0]=2 873 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,2,0,0,0,0|0,0,0]=2 874 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,2,0,0,0,0|0,0,0]=2 875 B8R1.1 O=CC1CC(CN1)O CNP0566799.0 [0,2,0,0,0,0|1,0,1]=4 876 B8R1.1 O=C[C@@H]1CCC(=N1)O CNP0538916.1 [0,2,0,0,0,0|1,0,1]=4 877 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,2,0,0,0,0|1,0,0]=3 878 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [0,2,0,0,0,0|1,1,0]=4 879 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,2,0,0,0,0|1,0,1]=4 880 B8R1.7 ClC(Cl)C1CCCO1 CNP0605989.0 [0,2,0,0,0,0|1,0,1]=4 881 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,2,0,0,0,0|2,0,0]=4 882 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,2,0,0,0,0|1,0,1]=4 883 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,2,0,0,0,0|1,0,0]=3 884 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,2,0,0,0,0|1,0,1]=4 885 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,2,0,0,0,0|0,1,1]=4 886 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,2,0,0,0,0|1,0,1]=4 887 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,2,0,0,0,0|1,0,1]=4 888 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,2,0,0,0,0|0,0,1]=3 889 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,2,0,0,0,0|2,0,0]=4 890 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,2,0,0,0,0|1,0,1]=4 891 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,2,0,0,0,0|2,0,0]=4 892 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,2,0,0,0,0|1,0,1]=4 893 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,2,0,0,0,0|1,0,0]=3 894 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,2,0,0,0,0|2,0,0]=4 895 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,2,0,0,0,0|1,0,1]=4 896 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,2,0,0,0,0|1,0,1]=4 897 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,2,0,0,0,0|1,0,0]=3 898 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,2,0,0,0,0|0,0,2]=4 899 B8R1.11 N#CC1=C(CCC1)N CNP0263562.0 [0,2,0,0,0,0|2,0,0]=4 900 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,2,0,0,0,0|1,0,0]=3 901 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,2,0,0,0,0|0,0,2]=4 902 B8R1.52 OC[C@]1(CCCO1)O CNP0357577.1 [0,2,0,0,0,0|0,0,2]=4 903 B8R1.18 C=C1CC(=O)OC1=O CNP0331229.0 [0,2,0,0,0,0|0,0,2]=4 904 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,2,0,0,0,0|1,0,1]=4 905 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,2,0,0,0,0|0,0,2]=4 906 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,2,0,0,0,0|0,0,2]=4 907 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,2,0,0,0,0|0,0,2]=4 908 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [0,2,0,0,0,0|0,0,2]=4 909 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,2,0,0,0,0|0,0,1]=3 910 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,2,0,0,0,0|0,0,0]=2 911 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,2,0,0,0,0|2,0,0]=4 912 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,2,0,0,0,0|1,0,0]=3 913 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,2,0,0,0,0|1,0,1]=4 914 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,2,0,0,0,0|0,0,0]=2 915 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,2,0,0,0,0|0,0,0]=2 916 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,2,0,0,0,0|0,0,0]=2 917 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,2,0,0,0,0|0,0,0]=2 918 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,2,0,0,0,0|0,0,2]=4 919 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,2,0,0,0,0|0,0,0]=2 920 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,2,0,0,0,0|0,0,2]=4 921 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,2,0,0,0,0|0,0,1]=3 922 B8R1.18 N[C@H]1CC(=NC1=O)O CNP0547407.1 [0,2,0,0,0,0|1,0,1]=4 923 B8R1.18 O=C1OC(C=C1O)O CNP0205147.0 [0,2,0,0,0,0|0,0,2]=4 924 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,2,0,0,0,0|0,0,1]=3 925 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,2,0,0,0,0|0,0,1]=3 926 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,2,0,0,0,0|1,0,1]=4 927 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,2,0,0,0,0|1,0,1]=4 928 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,2,0,0,0,0|2,0,0]=4 929 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,2,0,0,0,0|1,0,1]=4 930 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,2,0,0,0,0|1,0,1]=4 931 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,2,0,0,0,0|1,0,1]=4 932 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,2,0,0,0,0|1,0,0]=3 933 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,2,0,0,0,0|2,0,0]=4 934 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,2,0,0,0,0|1,0,0]=3 935 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,2,0,0,0,0|0,0,0]=2 936 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,2,0,0,0,0|0,0,0]=2 937 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,2,0,0,0,0|0,0,0]=2 938 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,2,0,0,0,0|0,1,0]=3 939 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,2,0,0,0,0|0,0,0]=2 940 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,2,0,0,0,0|1,0,1]=4 941 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,2,0,0,0,0|1,0,0]=3 942 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,2,0,0,0,0|1,0,1]=4 943 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,2,0,0,0,0|1,0,1]=4 944 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,2,0,0,0,0|0,0,2]=4 945 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,2,0,0,0,0|0,0,0]=2 946 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,2,0,0,0,0|0,0,0]=2 947 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,2,0,0,0,0|0,0,0]=2 948 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,2,0,0,0,0|0,0,0]=2 949 B8R1.50 OC1OC[C@H]([C@H]1O)O CNP0415790.1 [0,2,0,0,0,0|0,0,2]=4 950 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,2,0,0,0,0|1,0,1]=4 951 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [0,2,0,0,0,0|0,0,2]=4 952 B8R1.51 CC1(CN=C(O1)S)C CNP0527716.0 [0,2,0,0,0,0|1,1,0]=4 953 B8R1.51 CC1(CNC(=S)O1)C CNP0263248.0 [0,2,0,0,0,0|1,1,0]=4 954 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,2,0,0,0,0|0,0,0]=2 955 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [0,2,0,0,0,0|2,0,0]=4 956 B8R1.51 O=S1(=O)CCC(C1)Br CNP0280858.0 [0,2,0,0,0,0|2,0,0]=4 957 B8R1.51 O=S1(=O)C[C@@H](CS1)O CNP0319965.1 [0,2,0,0,0,0|1,1,0]=4 958 B8R1.51 O=S1(=O)C[C@H](CS1)O CNP0319965.2 [0,2,0,0,0,0|1,1,0]=4 959 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,2,0,0,0,0|1,0,0]=3 960 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,2,0,0,0,0|2,0,0]=4 961 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,2,0,0,0,0|2,0,0]=4 962 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,1,1,0,0|2,0,0]=4 963 B6R1.1 C1=CCCCC1 CNP0275665.0 [0,0,1,1,0,0|2,0,0]=4 964 B6R1.1 C1=CNCCC1 CNP0200592.0 [0,0,1,1,0,0|2,0,0]=4 965 B6R1.1 C1=COCCC1 CNP0583467.0 [0,0,1,1,0,0|1,0,0]=3 966 B6R1.1 C1=NCCCC1 CNP0139263.0 [0,0,1,1,0,0|2,0,0]=4 967 B6R1.1 C1CCOCC1 CNP0484551.0 [0,0,1,1,0,0|1,0,1]=4 968 B6R1.1 C1COCSC1 CNP0517977.0 [0,0,1,1,0,0|0,1,1]=4 969 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [0,0,1,1,0,0|2,0,0]=4 970 B6R2.4 O1O[C@@H]2[C@H]1O2 CNP0528839.1 [1,0,0,1,0,0|2,0,0]=4 971 B8R2.11 C=C1C2C1CCC2 CNP0538845.0 [0,0,0,1,0,1|2,0,0]=4 972 B8R2.34 C1CC2OCC1O2 CNP0611976.0 [0,0,0,1,0,1|0,0,2]=4 973 B4R1.1 C1=COC1 CNP0610072.0 [1,0,0,0,1,0|0,0,1]=3 974 B4R1.1 C1CCC1 CNP0580344.0 [1,0,0,0,1,0|0,0,1]=3 975 B4R1.1 C1CSC1 CNP0598686.0 [1,0,0,0,1,0|0,1,0]=3 976 B4R1.2 CC1=CC1 CNP0610335.0 [0,0,0,0,2,0|1,0,1]=4 977 B4R1.2 CC1CC1 CNP0597751.0 [0,0,0,0,2,0|1,0,1]=4 978 B4R1.2 CC1CO1 CNP0586888.0 [0,0,0,0,2,0|1,0,1]=4 979 B4R1.2 NC1CC1 CNP0519928.0 [0,0,0,0,2,0|1,0,1]=4 980 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,0,0,2|2,0,0]=4 981 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,0,0,2|2,0,0]=4 982 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,0,0,2|1,0,0]=3 983 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,0,0,2|1,0,0]=3 984 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,0,0,2|1,0,0]=3 985 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,0,0,2|0,0,0]=2 986 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,0,0,2|1,0,0]=3 987 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,0,0,2|1,0,1]=4 988 B8R1.22 O[C@@H]1CNCCOC1 CNP0237299.1 [0,0,0,0,0,2|0,0,2]=4