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=CCCC1 CNP0610106.0 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,0,0,0|1,1,1]=3 5 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,0,0,0|1,1,1]=3 7 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,0,0,0,0,0|1,0,3]=4 8 B6R1.2 CC1=CSC=N1 CNP0121199.0 [0,0,0,0,0,0|2,0,2]=4 9 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,0,0,0|2,0,0]=2 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|3,0,1]=4 15 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,0,0,0|3,0,1]=4 18 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,0,0,0|1,0,1]=2 19 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,0,0,0|3,0,1]=4 20 B6R1.2 NC1=NCCS1 CNP0490176.0 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 NN1CCCC1 CNP0577233.0 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,0,0,0|1,0,1]=2 23 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,0,0,0|2,0,1]=3 24 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [0,0,0,0,0,0|2,0,2]=4 25 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,0,0,0,0,0|2,0,2]=4 26 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,0,0,0,0,0|1,1,2]=4 27 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,0,0,0,0,0|2,0,1]=3 28 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,0,0,0|1,0,0]=1 29 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,0,0,0,0,0|2,0,0]=2 30 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,0,0,0|2,0,0]=2 31 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,0,0,0|2,0,0]=2 32 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,0,0,0,0,0|2,0,0]=2 33 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,0,0,0|0,1,0]=1 34 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,0,0,0|1,1,0]=2 35 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,0,0,0|0,0,0]=0 36 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,0,0,0,0,0|2,0,1]=3 37 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,0,0,0|3,0,0]=3 38 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,0,0,0,0,0|3,0,1]=4 39 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,0,0,0,0,0|2,0,1]=3 40 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,0,0,0|1,1,1]=3 41 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,0,0,0|1,0,2]=3 42 B6R1.2 OC1CSSC1 CNP0317557.0 [0,0,0,0,0,0|1,0,2]=3 43 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,0,0,0,0,0|1,1,2]=4 44 B6R1.2 S=C1C=CSS1 CNP0140042.0 [0,0,0,0,0,0|1,1,2]=4 45 B6R1.2 S=C1NCCN1 CNP0310090.0 [0,0,0,0,0,0|3,1,0]=4 46 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,0,0,0,0,0|3,1,0]=4 47 B6R1.2 SC1=CSC=C1 CNP0208450.0 [0,0,0,0,0,0|0,1,3]=4 48 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,0,0,0,0,0|3,1,0]=4 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|2,1,1]=4 51 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,0,0,0,0,0|2,0,2]=4 52 B6R1.2 [O-][S+]1CSSC1 CNP0506954.0 [0,0,0,0,0,0|2,0,1]=3 53 B6R1.2 [O-][S@+]1CSCS1 CNP0581645.1 [0,0,0,0,0,0|2,0,1]=3 54 B6R1.2 [O-][S@@+]1CSCS1 CNP0581645.2 [0,0,0,0,0,0|2,0,1]=3 55 B6R1.2 [O-][S@H+]1CSCS1 CNP0533797.1 [0,0,0,0,0,0|2,0,1]=3 56 B6R1.2 [O-][SH+]1CSSC1 CNP0541582.0 [0,0,0,0,0,0|2,0,1]=3 57 B5R1.1 C1=CCC=C1 CNP0588646.0 [1,0,0,0,0,0|1,0,2]=4 58 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,0,0,0|1,0,1]=3 59 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,0,0,0|0,1,1]=3 60 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,0,0,0|1,0,1]=3 61 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,0,0,0|0,1,1]=3 62 B5R1.1 C1=CSC=C1 CNP0604134.0 [1,0,0,0,0,0|0,0,3]=4 63 B5R1.1 C1=CSC=N1 CNP0495876.0 [1,0,0,0,0,0|1,0,2]=4 64 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,0,0,0|0,0,1]=2 65 B5R1.1 C1=CSCS1 CNP0479150.0 [1,0,0,0,0,0|1,0,1]=3 66 B5R1.1 C1=CSSC1 CNP0490976.0 [1,0,0,0,0,0|1,0,1]=3 67 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,0,0,0|2,0,0]=3 68 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,0,0,0|2,0,0]=3 69 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,0,0,0|1,0,1]=3 70 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,0,0,0|1,0,1]=3 71 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,0,0,0|0,1,1]=3 72 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,0,0,0|1,0,1]=3 73 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,0,0,0|0,0,1]=2 74 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,0,0,0|1,1,0]=3 75 B5R1.1 C1CSCN1 CNP0561874.0 [1,0,0,0,0,0|1,0,0]=2 76 B5R1.1 C1CSSC1 CNP0501166.0 [1,0,0,0,0,0|1,0,1]=3 77 B5R1.1 C1SCSS1 CNP0507701.0 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,0,0,0|2,0,1]=4 79 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,1,0,0,0,0|2,0,1]=4 80 B7R1.1 CSC1CSSC1 CNP0357136.0 [0,1,0,0,0,0|1,1,1]=4 81 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,1,0,0,0,0|0,0,3]=4 82 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,1,0,0,0,0|2,0,0]=3 83 B7R1.1 O=NN1CCCC1 CNP0169288.0 [0,1,0,0,0,0|2,0,0]=3 84 B7R1.1 O=NN1CCSC1 CNP0462467.0 [0,1,0,0,0,0|1,0,0]=2 85 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,0,0,0|1,0,1]=3 86 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,1,0,0,0,0|0,1,2]=4 87 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,1,0,0,0,0|2,0,1]=4 88 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,1,0,0,0,0|1,1,1]=4 89 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,1,0,0,0,0|2,0,1]=4 90 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,1,0,0,0,0|2,1,0]=4 91 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,1,0,0,0,0|2,0,0]=3 92 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,0,0,0|1,0,2]=4 93 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,1,0,0,0,0|2,0,1]=4 94 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,1,0,0,0,0|0,1,1]=3 95 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,0,0,0|1,0,0]=2 96 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,0,0,0|2,0,0]=3 97 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,0,0,0|1,0,2]=4 98 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,1,0,0,0,0|2,0,0]=3 99 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,1,0,0,0,0|2,0,1]=4 102 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,0,0,0|2,0,0]=3 103 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,0,0,0|2,0,0]=3 104 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,0,0,0|2,0,0]=3 105 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,1,0,0,0,0|2,0,1]=4 106 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,1,0,0,0,0|2,0,1]=4 107 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,1,0,0,0,0|1,0,2]=4 108 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,1,0,0,0,0|1,0,1]=3 109 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,1,0,0,0,0|2,0,1]=4 110 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,1,0,0,0,0|1,0,0]=2 112 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,1,0,0,0,0|2,0,0]=3 113 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,1,0,0,0,0|2,0,0]=3 114 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,0,0,0|2,0,0]=3 115 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,1,0,0,0,0|2,0,1]=4 117 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,1,0,0,0,0|1,0,1]=3 118 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,1,0,0,0,0|1,0,1]=3 119 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,1,0,0,0,0|2,0,1]=4 124 B7R1.2 [O-][S@+]1C[C@@H](CS1)O CNP0533380.4 [0,1,0,0,0,0|1,0,2]=4 125 B7R1.2 [O-][S@+]1C[C@H](CS1)O CNP0533380.3 [0,1,0,0,0,0|1,0,2]=4 126 B7R1.2 [O-][S@@+]1C[C@@H](CS1)O CNP0533380.1 [0,1,0,0,0,0|1,0,2]=4 127 B7R1.2 [O-][S@@+]1C[C@H](CS1)O CNP0533380.2 [0,1,0,0,0,0|1,0,2]=4 128 B7R1.2 [O-][S@H+]1C[C@@H](CS1)O CNP0479005.2 [0,1,0,0,0,0|1,0,2]=4 129 B7R1.2 [O-][S@H+]1C[C@H](CS1)O CNP0479005.1 [0,1,0,0,0,0|1,0,2]=4 130 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,1,0,0,0,0|1,1,1]=4 131 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,0,0,0|1,1,0]=3 132 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,0,0,0|2,0,1]=4 133 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,0,0,0|0,2,1]=4 134 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,1,0,0,0,0|0,1,1]=3 135 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,0,0,0|1,0,1]=3 136 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,0,0,0|2,0,1]=4 137 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,1,0,0,0,0|2,0,1]=4 138 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,0,0,0|0,1,0]=2 139 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,0,0,0|0,1,2]=4 140 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,0,0,0|0,2,1]=4 141 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,0,0,0|0,0,0]=1 142 B7R1.4 CC1SCCC1O CNP0179885.0 [0,1,0,0,0,0|0,0,2]=3 143 B7R1.4 CC1SCCC1S CNP0002610.0 [0,1,0,0,0,0|0,1,1]=3 144 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,1,0,0,0,0|2,0,1]=4 145 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,0,0,0|2,0,0]=3 146 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,0,0,0|1,0,0]=2 147 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,1,0,0,0,0|2,0,1]=4 148 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,1,0,0,0,0|2,0,1]=4 149 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,0,0,0|1,0,2]=4 150 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,0,0,0|2,0,0]=3 151 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,1,0,0,0,0|2,0,1]=4 152 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,0,0,0|0,1,0]=2 153 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,0,0,0|1,0,0]=2 154 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,1,0,0,0,0|2,0,1]=4 155 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,0,0,0|2,0,0]=3 156 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,0,0,0|0,1,0]=2 157 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.4 N[C@@H]1CON=C1O CNP0535940.1 [0,1,0,0,0,0|1,1,1]=4 159 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,1,0,0,0,0|1,1,0]=3 160 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [0,1,0,0,0,0|0,0,2]=3 161 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [0,1,0,0,0,0|0,0,2]=3 162 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,1,0,0,0,0|1,1,0]=3 165 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,1,0,0,0,0|1,0,2]=4 166 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,0,0,0|1,0,1]=3 167 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,1,0,0,0,0|1,0,1]=3 168 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,0,0,0|0,1,0]=2 169 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,0,0,0|2,0,0]=3 170 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,0,0,0|2,0,1]=4 171 B7R1.4 OC1CCCC1O CNP0519159.0 [0,1,0,0,0,0|1,0,2]=4 172 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [0,1,0,0,0,0|0,1,2]=4 173 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [0,1,0,0,0,0|0,1,2]=4 174 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [0,1,0,0,0,0|0,1,2]=4 175 B7R1.4 SC1CCCC1S CNP0098071.0 [0,1,0,0,0,0|1,1,1]=4 176 B7R1.14 CC1(CCCC1)C CNP0125073.0 [0,1,0,0,0,0|2,0,1]=4 177 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,0,0,0|1,0,2]=4 178 B7R1.14 CC1(CCSS1)C CNP0245767.0 [0,1,0,0,0,0|2,0,1]=4 179 B7R1.14 O=S1(=O)CCCC1 CNP0278305.0 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.1 C#CCC(=O)O CNP0049385.0 [0,0,1,0,0,0|2,0,1]=4 181 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,0,1,0,0,0|1,1,1]=4 182 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,0,1,0,0,0|2,0,1]=4 183 B5R0.1 C=C(C)CCC CNP0179329.0 [0,0,1,0,0,0|2,0,0]=3 184 B5R0.1 C=C(C)CCO CNP0285127.0 [0,0,1,0,0,0|1,1,0]=3 185 B5R0.1 C=C(O)CCC CNP0003382.0 [0,0,1,0,0,0|1,0,2]=4 186 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,0,1,0,0,0|1,0,1]=3 187 B5R0.1 C=CCC(=O)N CNP0292806.0 [0,0,1,0,0,0|2,0,1]=4 188 B5R0.1 C=CCC(=O)O CNP0172155.0 [0,0,1,0,0,0|2,0,1]=4 189 B5R0.1 C=COC(=O)C CNP0003526.0 [0,0,1,0,0,0|2,0,1]=4 190 B5R0.1 CC(=CCO)C CNP0241702.0 [0,0,1,0,0,0|1,1,1]=4 191 B5R0.1 CC(=CCS)C CNP0262600.0 [0,0,1,0,0,0|1,0,1]=3 192 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,0,1,0,0,0|1,1,1]=4 193 B5R0.1 CC(=O)CCO CNP0251527.0 [0,0,1,0,0,0|0,1,0]=2 194 B5R0.1 CC(=O)CCS CNP0404753.0 [0,0,1,0,0,0|0,0,0]=1 195 B5R0.1 CC(=O)OCS CNP0547679.0 [0,0,1,0,0,0|1,0,0]=2 196 B5R0.1 CC(C)CCN CNP0107663.0 [0,0,1,0,0,0|2,0,1]=4 197 B5R0.1 CC(C)CCO CNP0115711.0 [0,0,1,0,0,0|1,1,1]=4 198 B5R0.1 CC(C)CCS CNP0222694.0 [0,0,1,0,0,0|1,0,1]=3 199 B5R0.1 CC(O)CCS CNP0002409.0 [0,0,1,0,0,0|0,0,2]=3 200 B5R0.1 CC(S)CCS CNP0003105.0 [0,0,1,0,0,0|0,1,1]=3 201 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,0,1,0,0,0|1,0,1]=3 202 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [0,0,1,0,0,0|2,0,1]=4 203 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,0,1,0,0,0|2,0,1]=4 204 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,0,1,0,0,0|2,0,1]=4 205 B5R0.1 CC=CC(=O)S CNP0128183.0 [0,0,1,0,0,0|2,0,1]=4 206 B5R0.1 CCC=C(C)C CNP0331653.0 [0,0,1,0,0,0|2,0,1]=4 207 B5R0.1 CCC=C(C)O CNP0225775.0 [0,0,1,0,0,0|1,0,2]=4 208 B5R0.1 CCCC(=O)C CNP0169448.0 [0,0,1,0,0,0|1,0,0]=2 209 B5R0.1 CCCC(=O)N CNP0115101.0 [0,0,1,0,0,0|2,0,0]=3 210 B5R0.1 CCCC(=O)O CNP0259447.0 [0,0,1,0,0,0|2,0,0]=3 211 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,0,1,0,0,0|2,0,0]=3 212 B5R0.1 CCCC(C)C CNP0319065.0 [0,0,1,0,0,0|2,0,1]=4 213 B5R0.1 CCCC(C)S CNP0029638.0 [0,0,1,0,0,0|1,1,1]=4 214 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,0,1,0,0,0|1,0,2]=4 215 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,0,1,0,0,0|1,0,2]=4 216 B5R0.1 CCNC(=O)C CNP0260078.0 [0,0,1,0,0,0|2,0,0]=3 217 B5R0.1 CCOC(=O)C CNP0322418.0 [0,0,1,0,0,0|2,0,0]=3 218 B5R0.1 CCOC(=O)N CNP0336700.0 [0,0,1,0,0,0|3,0,0]=4 219 B5R0.1 CCOC(=O)O CNP0166515.0 [0,0,1,0,0,0|3,0,0]=4 220 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,0,1,0,0,0|2,0,0]=3 221 B5R0.1 CCSC(=O)C CNP0274861.0 [0,0,1,0,0,0|2,0,0]=3 222 B5R0.1 CN(C)CCCl CNP0328789.0 [0,0,1,0,0,0|3,0,0]=4 223 B5R0.1 CN(C)CCO CNP0230038.0 [0,0,1,0,0,0|2,1,0]=4 224 B5R0.1 CNCC(=O)O CNP0307073.0 [0,0,1,0,0,0|2,0,0]=3 225 B5R0.1 CNCC(=O)O CNP0563704.0 [0,0,1,0,0,0|2,0,0]=3 226 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,0,1,0,0,0|2,0,0]=3 227 B5R0.1 CNCC(C)C CNP0273998.0 [0,0,1,0,0,0|2,0,1]=4 228 B5R0.1 COCC(=O)C CNP0581024.0 [0,0,1,0,0,0|0,1,0]=2 229 B5R0.1 COCC(=O)O CNP0343219.0 [0,0,1,0,0,0|1,1,0]=3 230 B5R0.1 COCC(C)C CNP0528468.0 [0,0,1,0,0,0|1,1,1]=4 231 B5R0.1 CSCC(=O)C CNP0002513.0 [0,0,1,0,0,0|0,0,0]=1 232 B5R0.1 CSCC(=O)O CNP0447839.0 [0,0,1,0,0,0|1,0,0]=2 233 B5R0.1 CSCC(C)C CNP0405087.0 [0,0,1,0,0,0|1,0,1]=3 234 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [0,0,1,0,0,0|1,0,1]=3 235 B5R0.1 CSSC(C)C CNP0267830.0 [0,0,1,0,0,0|2,0,1]=4 236 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,0,1,0,0,0|0,1,2]=4 237 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,0,1,0,0,0|0,1,2]=4 238 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [0,0,1,0,0,0|1,1,0]=3 239 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [0,0,1,0,0,0|1,1,0]=3 240 B5R0.1 N#CCC(=O)N CNP0086390.0 [0,0,1,0,0,0|2,0,1]=4 241 B5R0.1 N#CCC(=O)O CNP0269115.0 [0,0,1,0,0,0|2,0,1]=4 242 B5R0.1 NCCC(=O)O CNP0226336.0 [0,0,1,0,0,0|2,0,0]=3 243 B5R0.1 NCCP(=O)O CNP0498602.0 [0,0,1,0,0,0|3,0,0]=4 244 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [0,0,1,0,0,0|3,0,0]=4 245 B5R0.1 NCC[S@](=O)O CNP0211926.1 [0,0,1,0,0,0|3,0,0]=4 246 B5R0.1 NCNC(=O)N CNP0046326.0 [0,0,1,0,0,0|3,0,0]=4 247 B5R0.1 NOCC(=O)O CNP0293826.0 [0,0,1,0,0,0|2,1,0]=4 248 B5R0.1 O=C(O)CCO CNP0228379.0 [0,0,1,0,0,0|1,1,0]=3 249 B5R0.1 O=C(O)CCS CNP0097385.0 [0,0,1,0,0,0|1,0,0]=2 250 B5R0.1 O=C(O)CNO CNP0316873.0 [0,0,1,0,0,0|2,1,0]=4 251 B5R0.1 O=CCC(=O)O CNP0149091.0 [0,0,1,0,0,0|1,1,1]=4 252 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,0,1,0,0,0|2,1,0]=4 253 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [0,0,1,0,0,0|2,0,1]=4 254 B5R0.2 C=C=CCC=O CNP0509236.0 [0,0,1,0,0,0|1,0,2]=4 255 B5R0.2 C=CC=CCC CNP0495438.0 [0,0,1,0,0,0|2,0,1]=4 256 B5R0.2 C=CCC=CC CNP0292090.0 [0,0,1,0,0,0|2,0,1]=4 257 B5R0.2 C=CCCC#N CNP0248596.0 [0,0,1,0,0,0|3,0,0]=4 258 B5R0.2 C=CCCC=C CNP0079781.0 [0,0,1,0,0,0|2,0,1]=4 259 B5R0.2 C=CCCC=O CNP0076959.0 [0,0,1,0,0,0|1,0,1]=3 260 B5R0.2 C=CCCCC CNP0264947.0 [0,0,1,0,0,0|2,0,0]=3 261 B5R0.2 C=CCCCO CNP0003396.0 [0,0,1,0,0,0|3,0,0]=4 262 B5R0.2 C=CCOC=O CNP0541341.0 [0,0,1,0,0,0|2,0,1]=4 263 B5R0.2 C=CCSC#N CNP0391044.0 [0,0,1,0,0,0|2,0,1]=4 264 B5R0.2 C=CCSCC CNP0261096.0 [0,0,1,0,0,0|1,0,0]=2 265 B5R0.2 C=CCSSC CNP0333880.0 [0,0,1,0,0,0|2,0,0]=3 266 B5R0.2 C=CSSCC CNP0003136.0 [0,0,1,0,0,0|2,0,0]=3 267 B5R0.2 CC=CCC=O CNP0167409.0 [0,0,1,0,0,0|1,0,1]=3 268 B5R0.2 CC=CCCC CNP0419577.0 [0,0,1,0,0,0|2,0,1]=4 269 B5R0.2 CC=CSSC CNP0214071.0 [0,0,1,0,0,0|2,0,1]=4 270 B5R0.2 CCC=CC=O CNP0328747.0 [0,0,1,0,0,0|1,0,1]=3 271 B5R0.2 CCCC=CO CNP0247153.0 [0,0,1,0,0,0|1,0,2]=4 272 B5R0.2 CCCCC#N CNP0357663.0 [0,0,1,0,0,0|2,0,1]=4 273 B5R0.2 CCCCC=O CNP0361186.0 [0,0,1,0,0,0|1,0,0]=2 274 B5R0.2 CCCCCBr CNP0018690.0 [0,0,1,0,0,0|2,0,1]=4 275 B5R0.2 CCCCCC CNP0269021.0 [0,0,1,0,0,0|2,0,1]=4 276 B5R0.2 CCCCCI CNP0017763.0 [0,0,1,0,0,0|2,0,1]=4 277 B5R0.2 CCCCCN CNP0203183.0 [0,0,1,0,0,0|2,0,1]=4 278 B5R0.2 CCCCCO CNP0244882.0 [0,0,1,0,0,0|1,0,2]=4 279 B5R0.2 CCCCCS CNP0260876.0 [0,0,1,0,0,0|1,1,1]=4 280 B5R0.2 CCCCNC CNP0277639.0 [0,0,1,0,0,0|2,0,1]=4 281 B5R0.2 CCCCOC CNP0609033.0 [0,0,1,0,0,0|1,1,1]=4 282 B5R0.2 CCCCSC CNP0562965.0 [0,0,1,0,0,0|1,0,1]=3 283 B5R0.2 CCCC[S+]=O CNP0521772.0 [0,0,1,0,0,0|2,0,0]=3 284 B5R0.2 CCCOC=O CNP0326097.0 [0,0,1,0,0,0|2,0,0]=3 285 B5R0.2 CCCSCC CNP0316215.0 [0,0,1,0,0,0|1,0,1]=3 286 B5R0.2 CCCSSC CNP0296815.0 [0,0,1,0,0,0|2,0,1]=4 287 B5R0.2 CCNCCN CNP0281269.0 [0,0,1,0,0,0|2,0,1]=4 288 B5R0.2 CCNCCO CNP0396370.0 [0,0,1,0,0,0|1,0,2]=4 289 B5R0.2 CCOCC#N CNP0184632.0 [0,0,1,0,0,0|1,1,1]=4 290 B5R0.2 CCOCCO CNP0319988.0 [0,0,1,0,0,0|0,1,2]=4 291 B5R0.2 CCSCCN CNP0506731.0 [0,0,1,0,0,0|1,0,1]=3 292 B5R0.2 CCSSCC CNP0416624.0 [0,0,1,0,0,0|2,0,1]=4 293 B5R0.2 CCSSSC CNP0407481.0 [0,0,1,0,0,0|3,0,0]=4 294 B5R0.2 CNCCNC CNP0480039.0 [0,0,1,0,0,0|3,0,0]=4 295 B5R0.2 COCCOC CNP0144142.0 [0,0,1,0,0,0|2,1,0]=4 296 B5R0.2 CSCCC=O CNP0136743.0 [0,0,1,0,0,0|0,0,0]=1 297 B5R0.2 CSCCCN CNP0348726.0 [0,0,1,0,0,0|1,0,1]=3 298 B5R0.2 CSCCCO CNP0359993.0 [0,0,1,0,0,0|0,0,2]=3 299 B5R0.2 CSCSSC CNP0313036.0 [0,0,1,0,0,0|3,0,0]=4 300 B5R0.2 N#CCCC=O CNP0181263.0 [0,0,1,0,0,0|2,0,0]=3 301 B5R0.2 NCCCC=O CNP0359033.0 [0,0,1,0,0,0|2,0,0]=3 302 B5R0.2 O=CC=CCO CNP0112016.0 [0,0,1,0,0,0|2,0,1]=4 303 B5R0.2 O=CCCC=O CNP0053830.0 [0,0,1,0,0,0|2,0,0]=3 304 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [0,0,1,0,0,0|3,0,0]=4 305 B5R0.3 C#CC(=O)OC CNP0572702.0 [0,0,1,0,0,0|2,0,1]=4 306 B5R0.3 C=C(C#N)CC CNP0541651.0 [0,0,1,0,0,0|2,0,1]=4 307 B5R0.3 C=C(C=O)CC CNP0542605.0 [0,0,1,0,0,0|1,1,1]=4 308 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,0,1,0,0,0|1,0,1]=3 309 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,0,1,0,0,0|2,0,1]=4 310 B5R0.3 CC=C(C)CC CNP0247687.0 [0,0,1,0,0,0|2,0,1]=4 311 B5R0.3 CC=C(C)CO CNP0120418.0 [0,0,1,0,0,0|1,1,1]=4 312 B5R0.3 CCC(=CS)C CNP0025997.0 [0,0,1,0,0,0|1,0,1]=3 313 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,0,1,0,0,0|0,1,1]=3 314 B5R0.3 CCC(=O)CC CNP0270305.0 [0,0,1,0,0,0|1,0,0]=2 315 B5R0.3 CCC(=O)CO CNP0165007.0 [0,0,1,0,0,0|0,1,0]=2 316 B5R0.3 CCC(=O)NN CNP0281170.0 [0,0,1,0,0,0|2,0,0]=3 317 B5R0.3 CCC(=O)OC CNP0166631.0 [0,0,1,0,0,0|2,0,0]=3 318 B5R0.3 CCC(=O)SC CNP0240172.0 [0,0,1,0,0,0|2,0,0]=3 319 B5R0.3 CCC(C)CC CNP0316485.0 [0,0,1,0,0,0|2,0,1]=4 320 B5R0.3 CCC(C)CS CNP0003009.0 [0,0,1,0,0,0|1,0,1]=3 321 B5R0.3 CCC(N)CC CNP0103985.0 [0,0,1,0,0,0|2,0,1]=4 322 B5R0.3 CCC(O)CC CNP0293075.0 [0,0,1,0,0,0|1,0,2]=4 323 B5R0.3 CCC(O)CCl CNP0366953.0 [0,0,1,0,0,0|1,0,2]=4 324 B5R0.3 CCC(O)CO CNP0534149.0 [0,0,1,0,0,0|0,1,2]=4 325 B5R0.3 CCC(S)CS CNP0197461.0 [0,0,1,0,0,0|0,1,1]=3 326 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,0,1,0,0,0|1,1,1]=4 327 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,0,1,0,0,0|2,0,1]=4 328 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,0,1,0,0,0|1,1,1]=4 329 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,0,1,0,0,0|3,0,0]=4 330 B5R0.3 CC[S](C)CC CNP0523180.0 [0,0,1,0,0,0|3,0,0]=4 331 B5R0.3 CNC(=O)NC CNP0028412.0 [0,0,1,0,0,0|3,0,0]=4 332 B5R0.3 CNC(=O)OC CNP0483114.0 [0,0,1,0,0,0|3,0,0]=4 333 B5R0.3 COC(=O)CI CNP0017842.0 [0,0,1,0,0,0|2,0,0]=3 334 B5R0.3 COC(=O)NN CNP0033099.0 [0,0,1,0,0,0|3,0,0]=4 335 B5R0.3 NCC(=O)NO CNP0470573.0 [0,0,1,0,0,0|2,1,0]=4 336 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,0,1,0,0,0|2,0,0]=3 337 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,0,1,0,0,0|2,0,0]=3 338 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,0,1,0,0,0|2,0,0]=3 339 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,0,1,0,0,0|2,0,0]=3 340 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,0,1,0,0,0|2,0,0]=3 341 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,0,1,0,0,0|1,1,0]=3 342 B5R0.3 O=C(CO)CO CNP0303926.0 [0,0,1,0,0,0|1,1,0]=3 343 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,0,1,0,0,0|1,0,2]=4 344 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [0,0,1,0,0,0|1,1,1]=4 345 B5R0.3 OC[C@H](S)CS CNP0341544.2 [0,0,1,0,0,0|1,1,1]=4 346 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,0,1,0,0,0|1,1,0]=3 347 B7R2.13 C1CC2CC2C1 CNP0612213.0 [0,0,0,1,0,0|2,0,1]=4 348 B5R1.2 CC1CCC1 CNP0546383.0 [0,0,0,0,1,0|1,0,1]=3 349 B5R1.2 NC1CCC1 CNP0609061.0 [0,0,0,0,1,0|1,0,1]=3 350 B5R1.2 O=C1CCO1 CNP0555602.0 [0,0,0,0,1,0|0,1,0]=2 351 B5R1.2 OC1CCC1 CNP0562500.0 [0,0,0,0,1,0|0,0,2]=3 352 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [0,0,0,0,1,0|1,0,1]=3 353 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,0,0,0,0,1|2,0,1]=4 354 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,0,0,1|2,0,0]=3 355 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,0,0,1|2,0,1]=4 356 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,0,0,0,1|2,0,1]=4 357 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,0,0,1|2,0,0]=3 358 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,0,0,1|2,0,1]=4 359 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,0,0,1|2,0,1]=4 360 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,0,0,0,0,1|2,0,1]=4 361 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,0,0,0,1|1,1,1]=4 362 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,0,0,0,0,1|2,0,1]=4 363 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,0,0,0,0,1|3,0,0]=4 364 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,0,0,0,0,1|2,1,0]=4 365 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,0,0,0,1|2,0,1]=4 366 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,0,0,1|2,0,1]=4 367 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,0,0,0,0,1|2,0,1]=4 368 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,0,0,1|2,0,1]=4 369 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,0,0,0,0,1|2,0,1]=4 370 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,0,0,0,0,1|2,0,1]=4 371 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,0,0,0,0,1|2,0,1]=4 372 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,0,0,0,0,1|1,0,2]=4 373 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,0,0,1|1,0,1]=3 374 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,0,0,1|1,0,1]=3 375 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,0,0,1|1,0,0]=2 376 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,0,0,0,1|1,0,1]=3 377 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,0,0,1|1,0,1]=3 378 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,0,0,1|1,0,0]=2 379 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,0,0,1|1,0,0]=2 380 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,0,0,1|1,0,0]=2 381 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,0,0,1|1,0,0]=2 382 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,0,0,0,1|0,1,0]=2 383 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,0,0,0,0,1|0,0,2]=3 384 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,0,0,1|1,0,1]=3 385 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,0,0,0,0,1|1,0,2]=4 386 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,0,0,1|1,0,1]=3 387 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,0,0,0,0,1|1,0,2]=4 388 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,0,0,1|1,0,2]=4 389 B7R1.3 OC1COCOC1 CNP0567932.0 [0,0,0,0,0,1|0,1,2]=4 390 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,0,0,0,0,1|2,1,0]=4 391 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [0,0,0,0,0,1|1,0,1]=3 392 B7R1.3 [O-][S@+]1CCSSC1 CNP0547050.1 [0,0,0,0,0,1|1,0,1]=3 393 B7R1.3 [O-][S@@H+]1CCSSC1 CNP0603900.1 [0,0,0,0,0,1|1,0,1]=3 394 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,1,0,0,0|1,0,0]=3 395 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,1,0,0,0|1,1,0]=4 396 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,1,0,0,0|0,0,2]=4 397 B4R0.1 CC(=O)C#N CNP0551952.0 [1,0,1,0,0,0|1,0,1]=4 398 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,1,0,0,0|0,1,1]=4 399 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,1,0,0,0|1,0,0]=3 400 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,1,0,0,0|1,0,0]=3 401 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,1,0,0,0|1,0,0]=3 402 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,1,0,0,0|0,1,0]=3 403 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,1,0,0,0|0,0,0]=2 404 B4R0.1 CC(=O)N=N CNP0591627.0 [1,0,1,0,0,0|2,0,0]=4 405 B4R0.1 CC(=O)NN CNP0503904.0 [1,0,1,0,0,0|2,0,0]=4 406 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,1,0,0,0|1,1,0]=4 407 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,1,0,0,0|1,1,0]=4 408 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [1,0,1,0,0,0|1,1,0]=4 409 B4R0.1 CC(C)CS CNP0494383.0 [1,0,1,0,0,0|1,0,1]=4 410 B4R0.1 CC(S)CS CNP0488983.0 [1,0,1,0,0,0|0,1,1]=4 411 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,1,0,0,0|1,0,1]=4 412 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,1,0,0,0|1,0,0]=3 413 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,1,0,0,0|1,0,0]=3 414 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,1,0,0,0|0,0,0]=2 415 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,1,0,0,0|1,0,0]=3 416 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,1,0,0,0|1,0,0]=3 417 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,1,0,0,0|1,0,0]=3 418 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,1,0,0,0|0,1,0]=3 419 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,1,0,0,0|0,1,0]=3 420 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,1,0,0,0|0,1,0]=3 421 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,1,0,0,0|0,1,0]=3 422 B4R0.1 CCC(C)C CNP0492867.0 [1,0,1,0,0,0|1,0,1]=4 423 B4R0.1 CCC(C)N CNP0520467.0 [1,0,1,0,0,0|1,0,1]=4 424 B4R0.1 CCC(O)S CNP0612126.0 [1,0,1,0,0,0|0,0,2]=4 425 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,1,0,0,0|0,0,2]=4 426 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,1,0,0,0|0,1,1]=4 427 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,1,0,0,0|0,0,2]=4 428 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,1,0,0,0|1,0,0]=3 429 B4R0.1 CNC(=O)N CNP0576116.0 [1,0,1,0,0,0|2,0,0]=4 430 B4R0.1 CNC(=O)O CNP0594440.0 [1,0,1,0,0,0|1,1,0]=4 431 B4R0.1 CNC(=S)S CNP0524147.0 [1,0,1,0,0,0|1,1,0]=4 432 B4R0.1 COC(=O)C CNP0578880.0 [1,0,1,0,0,0|0,1,0]=3 433 B4R0.1 COC(=O)N CNP0575874.0 [1,0,1,0,0,0|1,1,0]=4 434 B4R0.1 CSC(=N)N CNP0572889.0 [1,0,1,0,0,0|2,0,0]=4 435 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,1,0,0,0|0,0,0]=2 436 B4R0.1 CSC(C)C CNP0486491.0 [1,0,1,0,0,0|1,0,1]=4 437 B4R0.1 CSC(C)S CNP0497634.0 [1,0,1,0,0,0|0,1,1]=4 438 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,0,1,0,0,0|1,0,1]=4 439 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,0,1,0,0,0|1,0,1]=4 440 B4R0.1 NC(=O)CCl CNP0572781.0 [1,0,1,0,0,0|2,0,0]=4 441 B4R0.1 NC(=O)CI CNP0573172.0 [1,0,1,0,0,0|2,0,0]=4 442 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,1,0,0,0|1,1,0]=4 443 B4R0.1 NCC(=O)N CNP0542212.0 [1,0,1,0,0,0|2,0,0]=4 444 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,1,0,0,0|1,1,0]=4 445 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,0,1,0,0,0|1,1,0]=4 446 B4R0.1 O=C(Cl)CCl CNP0491057.0 [1,0,1,0,0,0|2,0,0]=4 447 B4R0.1 O=C(Cl)CI CNP0533753.0 [1,0,1,0,0,0|2,0,0]=4 448 B4R0.1 O=C(Cl)SCl CNP0604698.0 [1,0,1,0,0,0|2,0,0]=4 449 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,1,0,0,0|1,1,0]=4 450 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,1,0,0,0|1,1,0]=4 451 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,1,0,0,0|1,1,0]=4 452 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,1,0,0,0|1,1,0]=4 453 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,1,0,0,0|1,0,0]=3 454 B4R0.2 C#CCC=O CNP0596193.0 [1,0,1,0,0,0|0,0,2]=4 455 B4R0.2 C#CCCC CNP0510243.0 [1,0,1,0,0,0|1,0,1]=4 456 B4R0.2 C=C=CCC CNP0484675.0 [1,0,1,0,0,0|1,0,1]=4 457 B4R0.2 C=CCCC CNP0529271.0 [1,0,1,0,0,0|1,0,0]=3 458 B4R0.2 C=CCCN CNP0493733.0 [1,0,1,0,0,0|1,0,1]=4 459 B4R0.2 C=CCCO CNP0599473.0 [1,0,1,0,0,0|0,1,1]=4 460 B4R0.2 C=CCSC CNP0572475.0 [1,0,1,0,0,0|0,0,1]=3 461 B4R0.2 C=CCSO CNP0600527.0 [1,0,1,0,0,0|1,0,1]=4 462 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,1,0,0,0|0,1,1]=4 463 B4R0.2 C=COCC CNP0567970.0 [1,0,1,0,0,0|0,1,1]=4 464 B4R0.2 C=CSCC CNP0581257.0 [1,0,1,0,0,0|0,0,1]=3 465 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|1,0,1]=4 467 B4R0.2 CC=CCO CNP0498228.0 [1,0,1,0,0,0|0,1,1]=4 468 B4R0.2 CC=CCS CNP0606069.0 [1,0,1,0,0,0|0,0,1]=3 469 B4R0.2 CC=CSC CNP0587371.0 [1,0,1,0,0,0|0,0,1]=3 470 B4R0.2 CC=CSO CNP0521494.0 [1,0,1,0,0,0|1,0,1]=4 471 B4R0.2 CCC=NO CNP0599998.0 [1,0,1,0,0,0|1,1,0]=4 472 B4R0.2 CCC=S=O CNP0514855.0 [1,0,1,0,0,0|1,0,1]=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|0,0,2]=4 478 B4R0.2 CCCCS CNP0598878.0 [1,0,1,0,0,0|0,0,1]=3 479 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|0,1,1]=4 481 B4R0.2 CCCSC CNP0481317.0 [1,0,1,0,0,0|0,0,1]=3 482 B4R0.2 CCCSO CNP0594110.0 [1,0,1,0,0,0|1,0,1]=4 483 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|0,1,0]=3 485 B4R0.2 CCOCC CNP0572765.0 [1,0,1,0,0,0|0,1,1]=4 486 B4R0.2 CCON=O CNP0596964.0 [1,0,1,0,0,0|1,1,0]=4 487 B4R0.2 CCSC#N CNP0540962.0 [1,0,1,0,0,0|1,0,1]=4 488 B4R0.2 CCSCC CNP0518873.0 [1,0,1,0,0,0|0,0,1]=3 489 B4R0.2 CCSSC CNP0571147.0 [1,0,1,0,0,0|1,0,1]=4 490 B4R0.2 CNCCN CNP0496542.0 [1,0,1,0,0,0|2,0,0]=4 491 B4R0.2 CNCCO CNP0513801.0 [1,0,1,0,0,0|1,0,1]=4 492 B4R0.2 COCCI CNP0495552.0 [1,0,1,0,0,0|1,1,0]=4 493 B4R0.2 COCCO CNP0561250.0 [1,0,1,0,0,0|0,1,1]=4 494 B4R0.2 COCC[Si] CNP0501162.0 [1,0,1,0,0,0|0,2,0]=4 495 B4R0.2 CSCC=O CNP0555203.0 [1,0,1,0,0,0|0,0,0]=2 496 B4R0.2 CSCCO CNP0574269.0 [1,0,1,0,0,0|0,0,1]=3 497 B4R0.2 CSCSC CNP0591427.0 [1,0,1,0,0,0|1,0,0]=3 498 B4R0.2 CSSSC CNP0486985.0 [1,0,1,0,0,0|2,0,0]=4 499 B4R0.2 CS[Se]SC CNP0608554.0 [1,0,1,0,0,0|2,0,0]=4 500 B4R0.2 NCCC=O CNP0502520.0 [1,0,1,0,0,0|1,0,0]=3 501 B4R0.2 NCCCS CNP0560812.0 [1,0,1,0,0,0|1,0,1]=4 502 B4R0.2 O=CCC=O CNP0495847.0 [1,0,1,0,0,0|0,1,1]=4 503 B4R0.2 O=CCCO CNP0525339.0 [1,0,1,0,0,0|0,1,0]=3 504 B4R0.2 OCCCS CNP0586497.0 [1,0,1,0,0,0|0,0,2]=4 505 B4R0.2 SCCCS CNP0528691.0 [1,0,1,0,0,0|0,1,1]=4 506 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,1,0,0,0|2,0,0]=4 507 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,1,1,0,0,0|1,1,0]=4 508 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,1,1,0,0,0|1,0,1]=4 509 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,1,1,0,0,0|1,0,1]=4 510 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,1,1,0,0,0|1,0,0]=3 511 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,1,1,0,0,0|1,0,1]=4 512 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,1,1,0,0,0|1,0,1]=4 513 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,1,1,0,0,0|0,0,0]=2 514 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,1,1,0,0,0|1,0,1]=4 515 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,1,0,0,0|1,0,1]=4 516 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,1,1,0,0,0|1,0,1]=4 517 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,1,1,0,0,0|1,0,1]=4 518 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,1,0,0,0|1,0,0]=3 519 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,1,0,0,0|1,0,0]=3 520 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,1,0,0,0|1,0,0]=3 521 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,1,1,0,0,0|1,0,0]=3 522 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,1,0,0,0|1,0,1]=4 523 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,1,1,0,0,0|2,0,0]=4 524 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,1,1,0,0,0|2,0,0]=4 525 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,1,1,0,0,0|2,0,0]=4 526 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,1,1,0,0,0|2,0,0]=4 527 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,1,1,0,0,0|2,0,0]=4 528 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,1,1,0,0,0|2,0,0]=4 529 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,1,1,0,0,0|1,0,0]=3 530 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,1,1,0,0,0|0,1,1]=4 531 B6R0.1 COC(=O)CSC CNP0189712.0 [0,1,1,0,0,0|0,0,0]=2 532 B6R0.1 COCC(=O)OC CNP0202591.0 [0,1,1,0,0,0|0,1,0]=3 533 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,1,1,0,0,0|0,1,1]=4 534 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,1,1,0,0,0|1,0,0]=3 535 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,1,1,0,0,0|1,0,1]=4 536 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,1,1,0,0,0|1,0,0]=3 537 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,1,1,0,0,0|1,0,1]=4 538 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,1,1,0,0,0|1,0,1]=4 539 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,1,1,0,0,0|1,0,0]=3 540 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,1,1,0,0,0|0,1,1]=4 541 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,1,1,0,0,0|0,1,1]=4 542 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,1,1,0,0,0|1,0,0]=3 543 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,1,1,0,0,0|0,1,0]=3 544 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,1,1,0,0,0|0,1,0]=3 545 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,1,1,0,0,0|2,0,0]=4 546 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,1,1,0,0,0|2,0,0]=4 547 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,1,1,0,0,0|2,0,0]=4 548 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,1,1,0,0,0|2,0,0]=4 549 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,1,1,0,0,0|2,0,0]=4 550 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,1,1,0,0,0|1,1,0]=4 551 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,1,1,0,0,0|2,0,0]=4 552 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,1,1,0,0,0|2,0,0]=4 553 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,1,1,0,0,0|2,0,0]=4 554 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,1,1,0,0,0|2,0,0]=4 555 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,1,1,0,0,0|1,1,0]=4 556 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,1,1,0,0,0|2,0,0]=4 557 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,1,1,0,0,0|1,1,0]=4 558 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,1,1,0,0,0|2,0,0]=4 559 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,1,1,0,0,0|2,0,0]=4 560 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,1,1,0,0,0|1,0,1]=4 561 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,1,1,0,0,0|1,0,1]=4 562 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,1,0,0,0|2,0,0]=4 563 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,1,1,0,0,0|1,0,1]=4 564 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,1,1,0,0,0|1,0,1]=4 565 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,1,1,0,0,0|1,0,1]=4 566 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,1,0,0,0|1,0,0]=3 567 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,1,0,0,0|1,0,0]=3 568 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,1,0,0,0|1,0,0]=3 569 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,1,1,0,0,0|2,0,0]=4 570 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,1,1,0,0,0|2,0,0]=4 571 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,1,1,0,0,0|2,0,0]=4 572 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,1,1,0,0,0|2,0,0]=4 573 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,1,0,0,0|1,0,0]=3 574 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,1,1,0,0,0|2,0,0]=4 575 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,1,0,0,0|1,0,0]=3 576 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,1,1,0,0,0|2,0,0]=4 577 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,1,1,0,0,0|2,0,0]=4 578 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,1,1,0,0,0|2,0,0]=4 579 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,1,1,0,0,0|2,0,0]=4 580 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,1,1,0,0,0|2,0,0]=4 581 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,1,1,0,0,0|2,0,0]=4 582 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,1,1,0,0,0|2,0,0]=4 583 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,1,1,0,0,0|0,1,1]=4 584 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,1,1,0,0,0|0,1,0]=3 585 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,1,1,0,0,0|0,0,0]=2 586 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,1,1,0,0,0|1,0,1]=4 587 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,1,1,0,0,0|2,0,0]=4 588 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,1,0,0,0|1,1,0]=4 589 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,1,1,0,0,0|2,0,0]=4 590 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,1,0,0,0|1,1,0]=4 591 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,1,1,0,0,0|1,0,0]=3 592 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,1,1,0,0,0|1,1,0]=4 593 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,1,1,0,0,0|2,0,0]=4 594 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,1,1,0,0,0|2,0,0]=4 595 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,1,1,0,0,0|2,0,0]=4 596 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,1,1,0,0,0|1,1,0]=4 597 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,1,1,0,0,0|1,0,0]=3 598 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,1,1,0,0,0|1,0,0]=3 599 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,1,1,0,0,0|1,1,0]=4 600 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,1,1,0,0,0|1,1,0]=4 601 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,1,1,0,0,0|2,0,0]=4 602 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,1,1,0,0,0|1,1,0]=4 603 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,1,1,0,0,0|1,0,0]=3 604 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,1,1,0,0,0|1,1,0]=4 605 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,1,1,0,0,0|1,0,1]=4 606 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,1,1,0,0,0|2,0,0]=4 607 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,1,1,0,0,0|1,1,0]=4 608 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,1,1,0,0,0|1,0,0]=3 609 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,1,1,0,0,0|2,0,0]=4 610 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,1,1,0,0,0|1,1,0]=4 611 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,1,1,0,0,0|1,0,1]=4 612 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,1,1,0,0,0|1,0,0]=3 613 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,1,1,0,0,0|1,0,0]=3 614 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,1,1,0,0,0|2,0,0]=4 615 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,1,1,0,0,0|2,0,0]=4 616 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,1,1,0,0,0|1,0,1]=4 617 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,1,1,0,0,0|1,0,1]=4 618 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,1,1,0,0,0|2,0,0]=4 619 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,1,1,0,0,0|1,1,0]=4 620 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,1,1,0,0,0|0,1,0]=3 621 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,1,1,0,0,0|1,0,0]=3 622 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,1,1,0,0,0|0,1,0]=3 623 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,1,1,0,0,0|0,0,0]=2 624 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,1,1,0,0,0|1,0,0]=3 625 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,1,1,0,0,0|1,0,0]=3 626 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,1,1,0,0,0|0,1,0]=3 627 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,1,1,0,0,0|2,0,0]=4 628 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,1,1,0,0,0|1,0,1]=4 629 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,1,1,0,0,0|1,0,1]=4 630 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,1,1,0,0,0|1,0,0]=3 631 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,1,1,0,0,0|2,0,0]=4 632 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,1,1,0,0,0|2,0,0]=4 633 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,1,1,0,0,0|2,0,0]=4 634 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,1,1,0,0,0|1,0,0]=3 635 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,1,1,0,0,0|1,0,0]=3 636 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,1,1,0,0,0|1,0,0]=3 637 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,1,1,0,0,0|2,0,0]=4 638 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,1,1,0,0,0|1,1,0]=4 639 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,1,1,0,0,0|1,1,0]=4 640 B6R0.4 CCSCC(C)C CNP0208462.0 [0,1,1,0,0,0|1,0,1]=4 641 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,1,1,0,0,0|2,0,0]=4 642 B6R0.4 COCC=C(C)C CNP0493784.0 [0,1,1,0,0,0|1,1,0]=4 643 B6R0.4 CSC=CC(=O)N CNP0140289.0 [0,1,1,0,0,0|1,0,1]=4 644 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,1,1,0,0,0|1,0,1]=4 645 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,1,1,0,0,0|0,0,0]=2 646 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,1,1,0,0,0|1,0,0]=3 647 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,1,1,0,0,0|1,0,0]=3 648 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,1,1,0,0,0|0,0,2]=4 649 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,1,1,0,0,0|0,0,0]=2 650 B6R0.4 CSSC[S@@+](C)[O-] CNP0590331.1 [0,1,1,0,0,0|1,0,1]=4 651 B6R0.4 CSSC[S@@H+](C)[O-] CNP0509730.1 [0,1,1,0,0,0|1,0,1]=4 652 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,1,1,0,0,0|2,0,0]=4 653 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,1,1,0,0,0|1,1,0]=4 654 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,1,1,0,0,0|2,0,0]=4 655 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,1,1,0,0,0|1,1,0]=4 656 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,1,1,0,0,0|1,1,0]=4 657 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,1,1,0,0,0|1,1,0]=4 658 B6R0.5 CSCS(=O)(=O)C CNP0157265.0 [0,1,1,0,0,0|1,0,0]=3 659 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [0,1,1,0,0,0|1,1,0]=4 660 B6R0.5 C[N+](C)(C)CCS CNP0555759.0 [0,1,1,0,0,0|2,0,0]=4 661 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [0,1,1,0,0,0|1,1,0]=4 662 B6R0.5 O=S(=O)(O)CCS CNP0132548.0 [0,1,1,0,0,0|2,0,0]=4 663 B6R0.6 C=CCCC=CC CNP0426808.0 [0,1,1,0,0,0|2,0,0]=4 664 B6R0.6 C=CCCCCC CNP0226691.0 [0,1,1,0,0,0|2,0,0]=4 665 B6R0.6 C=CCCCCO CNP0162421.0 [0,1,1,0,0,0|2,0,0]=4 666 B6R0.6 C=CCCSC#N CNP0532187.0 [0,1,1,0,0,0|1,0,1]=4 667 B6R0.6 C=CCOCCO CNP0248950.0 [0,1,1,0,0,0|1,1,0]=4 668 B6R0.6 C=CCSCC=C CNP0303954.0 [0,1,1,0,0,0|1,0,1]=4 669 B6R0.6 C=CCSCCC CNP0150756.0 [0,1,1,0,0,0|1,0,0]=3 670 B6R0.6 C=CCSSSC CNP0338885.0 [0,1,1,0,0,0|2,0,0]=4 671 B6R0.6 C=COCCCC CNP0077236.0 [0,1,1,0,0,0|2,0,0]=4 672 B6R0.6 CC=CCCC=O CNP0056069.0 [0,1,1,0,0,0|1,0,0]=3 673 B6R0.6 CC=CCCCC CNP0158475.0 [0,1,1,0,0,0|2,0,0]=4 674 B6R0.6 CC=CCSCC CNP0575773.0 [0,1,1,0,0,0|1,0,0]=3 675 B6R0.6 CC=CSCCC CNP0320861.0 [0,1,1,0,0,0|1,0,1]=4 676 B6R0.6 CC=CSSCC CNP0418756.0 [0,1,1,0,0,0|1,0,1]=4 677 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,1,1,0,0,0|1,0,1]=4 678 B6R0.6 CCC=CCC=O CNP0227189.0 [0,1,1,0,0,0|1,0,0]=3 679 B6R0.6 CCCC=CC=O CNP0263913.0 [0,1,1,0,0,0|1,0,1]=4 680 B6R0.6 CCCCC=CO CNP0511187.0 [0,1,1,0,0,0|1,0,1]=4 681 B6R0.6 CCCCC=NO CNP0149695.0 [0,1,1,0,0,0|1,0,1]=4 682 B6R0.6 CCCCCC=O CNP0304790.0 [0,1,1,0,0,0|1,0,0]=3 683 B6R0.6 CCCCCSC CNP0293012.0 [0,1,1,0,0,0|1,0,1]=4 684 B6R0.6 CCCCNC=O CNP0082472.0 [0,1,1,0,0,0|1,0,0]=3 685 B6R0.6 CCCCOC=O CNP0282325.0 [0,1,1,0,0,0|1,0,0]=3 686 B6R0.6 CCCCON=O CNP0003508.0 [0,1,1,0,0,0|2,0,0]=4 687 B6R0.6 CCCCSSC CNP0532819.0 [0,1,1,0,0,0|1,0,1]=4 688 B6R0.6 CCCSCCC CNP0173387.0 [0,1,1,0,0,0|1,0,1]=4 689 B6R0.6 CCCSSCC CNP0322971.0 [0,1,1,0,0,0|1,0,1]=4 690 B6R0.6 CCSCCCO CNP0355297.0 [0,1,1,0,0,0|0,0,2]=4 691 B6R0.6 CCSSCSC CNP0003140.0 [0,1,1,0,0,0|2,0,0]=4 692 B6R0.6 CSCCCC#N CNP0286857.0 [0,1,1,0,0,0|1,0,1]=4 693 B6R0.6 CSCCCC=O CNP0002814.0 [0,1,1,0,0,0|0,0,0]=2 694 B6R0.6 CSCCCCO CNP0002400.0 [0,1,1,0,0,0|0,0,2]=4 695 B6R0.6 CSCCCN=S CNP0092190.0 [0,1,1,0,0,0|0,1,1]=4 696 B6R0.6 CSCCN=C=S CNP0002691.0 [0,1,1,0,0,0|0,1,1]=4 697 B6R0.6 NCCCCC=O CNP0083786.0 [0,1,1,0,0,0|1,0,0]=3 698 B6R0.6 O=CCCCC=O CNP0204417.0 [0,1,1,0,0,0|1,0,1]=4 699 B6R0.6 OCCSCCO CNP0335773.0 [0,1,1,0,0,0|0,0,2]=4 700 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,1,1,0,0,0|1,0,1]=4 701 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,1,1,0,0,0|2,0,0]=4 702 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,1,1,0,0,0|1,1,0]=4 703 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,1,1,0,0,0|1,0,1]=4 704 B6R0.9 CCN(CC)N=O CNP0419123.0 [0,1,1,0,0,0|2,0,0]=4 705 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,1,0,0,1,0|0,0,0]=2 706 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,1,0,0,1,0|1,0,1]=4 707 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,1,0,0,1,0|0,1,0]=3 708 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,1,0,0,1,0|0,1,0]=3 709 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,1,0,0,1,0|1,0,1]=4 710 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,1,0,0,0,1|2,0,0]=4 711 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,0,0,1|2,0,0]=4 712 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,0,0,1|1,0,1]=4 713 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,1,0,0,0,1|2,0,0]=4 714 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,1,0,0,0,1|1,0,1]=4 715 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,0,0,1|1,0,0]=3 716 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [0,1,0,0,0,1|1,0,1]=4 717 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,1,0,0,0,1|1,0,1]=4 718 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,1,0,0,0,1|2,0,0]=4 719 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [0,1,0,0,0,1|1,1,0]=4 720 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [0,1,0,0,0,1|2,0,0]=4 721 B8R1.2 O=NN1CCOCC1 CNP0158830.0 [0,1,0,0,0,1|1,1,0]=4 722 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,0,0,1|1,0,1]=4 723 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,1,0,0,0,1|1,0,1]=4 724 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,0,0,1|1,0,0]=3 725 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,0,0,1|1,0,0]=3 726 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,0,0,1|0,1,0]=3 727 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,1,0,0,0,1|1,0,0]=3 728 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,1,0,0,0,1|1,0,1]=4 729 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,1,0,0,0,1|1,0,1]=4 730 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,1,0,0,0,1|1,0,1]=4 731 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,1,0,0,0,1|1,0,1]=4 732 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,1,0,0,0,1|1,0,0]=3 733 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,1,0,0,0,1|0,1,0]=3 734 B8R1.3 O=C1CNC(=O)CN1 CNP0395351.0 [0,1,0,0,0,1|1,0,1]=4 735 B8R1.3 OC1CSC(CS1)O CNP0309516.0 [0,1,0,0,0,1|0,0,2]=4 736 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,0,0,1|1,0,1]=4 737 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,0,0,1|0,1,1]=4 738 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,0,0,1|1,0,1]=4 739 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,0,0,1|2,0,0]=4 740 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,0,0,1|1,0,0]=3 741 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,0,0,1|2,0,0]=4 742 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,1,0,0,0,1|0,0,2]=4 743 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,0,0,1|2,0,0]=4 744 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,0,0,1|1,0,1]=4 745 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,0,0,1|1,0,0]=3 746 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,0,0,1|1,0,1]=4 747 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,0,0,1|1,0,0]=3 748 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,0,0,1|1,0,0]=3 749 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,0,0,1|1,0,1]=4 750 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,0,0,1|1,0,0]=3 751 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,0,0,1|1,0,0]=3 752 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,0,0,1|1,0,1]=4 753 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,1,0,0,0,1|1,0,1]=4 754 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,0,0,1|1,0,1]=4 755 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,1,0,0,0,1|1,0,1]=4 756 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,0,0,1|2,0,0]=4 757 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,0,0,1|2,0,0]=4 758 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,0,0,1|2,0,0]=4 759 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,0,0,1|1,0,0]=3 760 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,0,0,1|1,0,0]=3 761 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,0,0,1|1,0,0]=3 762 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,0,0,1|1,0,1]=4 763 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,0,0,1|1,0,1]=4 764 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,0,0,1|1,0,0]=3 765 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,0,0,1|1,0,0]=3 766 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,1,0,0,0,1|1,0,1]=4 767 B8R1.5 O[C@@H]1CSSC[C@H]1O CNP0508118.1 [0,1,0,0,0,1|0,0,2]=4 768 B8R1.5 O[C@H]1CSSC[C@@H]1O CNP0508118.2 [0,1,0,0,0,1|0,0,2]=4 769 B8R1.72 O=S1(=O)CCCSC1 CNP0151119.0 [0,1,0,0,0,1|1,0,0]=3 770 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,2,0,0,0,0|1,0,1]=4 771 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,2,0,0,0,0|2,0,0]=4 772 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,2,0,0,0,0|2,0,0]=4 773 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,2,0,0,0,0|2,0,0]=4 774 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,2,0,0,0,0|1,0,1]=4 775 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,2,0,0,0,0|2,0,0]=4 776 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,2,0,0,0,0|2,0,0]=4 777 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,2,0,0,0,0|2,0,0]=4 778 B8R1.1 O=C1CCC(=N1)NO CNP0611972.0 [0,2,0,0,0,0|2,0,0]=4 779 B8R1.1 O=C1CCC(=NO)N1 CNP0248751.0 [0,2,0,0,0,0|2,0,0]=4 780 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,2,0,0,0,0|1,0,0]=3 781 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,2,0,0,0,0|2,0,0]=4 782 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,2,0,0,0,0|2,0,0]=4 783 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,2,0,0,0,0|2,0,0]=4 784 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,2,0,0,0,0|2,0,0]=4 785 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,2,0,0,0,0|2,0,0]=4 786 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [0,2,0,0,0,0|1,0,1]=4 787 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,2,0,0,0,0|2,0,0]=4 788 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,2,0,0,0,0|2,0,0]=4 789 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,2,0,0,0,0|1,0,1]=4 790 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [0,2,0,0,0,0|1,0,1]=4 791 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [0,2,0,0,0,0|1,0,1]=4 792 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,2,0,0,0,0|1,0,1]=4 793 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [0,2,0,0,0,0|1,0,1]=4 794 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,2,0,0,0,0|1,0,1]=4 795 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [0,2,0,0,0,0|1,0,1]=4 796 B8R1.7 O=C([O-])[C@H]1CSCN1 CNP0229322.1 [0,2,0,0,0,0|1,0,1]=4 797 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,2,0,0,0,0|2,0,0]=4 798 B8R1.11 CC1SCCN1N=O CNP0484852.0 [0,2,0,0,0,0|1,0,0]=3 799 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,2,0,0,0,0|1,0,1]=4 800 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,2,0,0,0,0|1,0,0]=3 801 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,2,0,0,0,0|0,0,0]=2 802 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,2,0,0,0,0|1,0,1]=4 803 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,2,0,0,0,0|1,0,1]=4 804 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,2,0,0,0,0|2,0,0]=4 805 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,2,0,0,0,0|1,0,0]=3 806 B8R1.18 C=C1CC(=O)CC1=C CNP0553781.0 [0,2,0,0,0,0|1,0,1]=4 807 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,2,0,0,0,0|1,0,1]=4 808 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [0,2,0,0,0,0|2,0,0]=4 809 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,2,0,0,0,0|2,0,0]=4 810 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,2,0,0,0,0|2,0,0]=4 811 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,2,0,0,0,0|2,0,0]=4 812 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,2,0,0,0,0|1,0,1]=4 813 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,2,0,0,0,0|2,0,0]=4 814 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,2,0,0,0,0|2,0,0]=4 815 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,2,0,0,0,0|2,0,0]=4 816 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,2,0,0,0,0|2,0,0]=4 817 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,2,0,0,0,0|2,0,0]=4 818 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,2,0,0,0,0|0,1,1]=4 819 B8R1.18 N[C@H]1CC(=NC1=O)O CNP0547407.1 [0,2,0,0,0,0|2,0,0]=4 820 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,2,0,0,0,0|1,0,1]=4 821 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,2,0,0,0,0|1,0,1]=4 822 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,2,0,0,0,0|0,0,2]=4 823 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,2,0,0,0,0|0,0,2]=4 824 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,2,0,0,0,0|1,0,1]=4 825 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,2,0,0,0,0|1,0,1]=4 826 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,2,0,0,0,0|1,0,0]=3 827 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,2,0,0,0,0|1,0,0]=3 828 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,2,0,0,0,0|0,1,0]=3 829 B8R1.50 CC1SC=C(C1S)O CNP0002608.0 [0,2,0,0,0,0|0,0,2]=4 830 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,2,0,0,0,0|2,0,0]=4 831 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,2,0,0,0,0|2,0,0]=4 832 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,2,0,0,0,0|2,0,0]=4 833 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,2,0,0,0,0|2,0,0]=4 834 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,2,0,0,0,0|2,0,0]=4 835 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,2,0,0,0,0|2,0,0]=4 836 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,2,0,0,0,0|1,0,1]=4 837 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,2,0,0,0,0|1,0,1]=4 838 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,2,0,0,0,0|1,0,1]=4 839 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,2,0,0,0,0|2,0,0]=4 840 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,2,0,0,0,0|2,0,0]=4 841 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,2,0,0,0,0|2,0,0]=4 842 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,2,0,0,0,0|2,0,0]=4 843 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,2,0,0,0,0|2,0,0]=4 844 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,2,0,0,0,0|1,0,1]=4 845 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,2,0,0,0,0|2,0,0]=4 846 B8R1.51 O=S1(=O)CCC(C1)Br CNP0280858.0 [0,2,0,0,0,0|2,0,0]=4 847 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,2,0,0,0,0|1,0,0]=3 848 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,2,0,0,0,0|2,0,0]=4 849 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,2,0,0,0,0|0,1,0]=3 850 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,1,1,0,0|0,1,0]=3 851 B6R1.1 C1=CCCCC1 CNP0275665.0 [0,0,1,1,0,0|2,0,0]=4 852 B6R1.1 C1=CCNCC1 CNP0086452.0 [0,0,1,1,0,0|2,0,0]=4 853 B6R1.1 C1=CSSCC1 CNP0530429.0 [0,0,1,1,0,0|2,0,0]=4 854 B6R1.1 C1=NCCCC1 CNP0139263.0 [0,0,1,1,0,0|2,0,0]=4 855 B6R1.1 C1COCSC1 CNP0517977.0 [0,0,1,1,0,0|0,0,2]=4 856 B6R1.1 C1CSCCS1 CNP0316640.0 [0,0,1,1,0,0|0,1,1]=4 857 B6R1.1 C1CSCSC1 CNP0221424.0 [0,0,1,1,0,0|0,1,1]=4 858 B6R1.1 C1CSSCS1 CNP0173795.0 [0,0,1,1,0,0|1,1,0]=4 859 B8R2.11 C=C1C2C1CCC2 CNP0538845.0 [0,0,0,1,0,1|2,0,0]=4 860 B4R1.1 C1=COC1 CNP0610072.0 [1,0,0,0,1,0|0,1,1]=4 861 B4R1.1 C1CCC1 CNP0580344.0 [1,0,0,0,1,0|0,0,1]=3 862 B4R1.1 C1CSC1 CNP0598686.0 [1,0,0,0,1,0|0,0,0]=2 863 B4R1.2 CC1=CC1 CNP0610335.0 [0,0,0,0,2,0|1,0,1]=4 864 B4R1.2 CC1CC1 CNP0597751.0 [0,0,0,0,2,0|1,0,1]=4 865 B4R1.2 CC1CS1 CNP0482664.0 [0,0,0,0,2,0|1,0,1]=4 866 B4R1.2 C[C@H]1CS1 CNP0482664.1 [0,0,0,0,2,0|1,0,1]=4 867 B4R1.2 NC1CC1 CNP0519928.0 [0,0,0,0,2,0|1,0,1]=4 868 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,0,0,2|2,0,0]=4 869 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,0,0,2|2,0,0]=4 870 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,0,0,2|1,0,0]=3 871 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,0,0,2|1,0,0]=3 872 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,0,0,2|1,0,0]=3 873 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,0,0,2|1,0,0]=3 874 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,0,0,2|1,0,0]=3 875 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,0,0,2|1,0,1]=4