0 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [0,0,0,0,0,0|1,0,1]=2 1 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [0,0,0,0,0,0|1,1,1]=3 2 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,0,0,0,0,0|1,1,0]=2 5 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [0,0,0,0,0,0|2,1,0]=3 9 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.1 COC1=NC=CC1 CNP0549754.0 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 ClCC1=NN=CO1 CNP0028184.0 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [0,0,0,0,0,0|1,0,1]=2 17 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [0,0,0,0,0,0|1,1,1]=3 18 B7R1.1 N#CC1=NNC=C1 CNP0017944.0 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,0,0,0,0,0|1,0,2]=3 20 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,0,0,0,0,0|0,0,2]=2 21 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,0,0,0,0,0|0,1,2]=3 22 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,0,0,0,0,0|0,0,0]=0 26 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,0,0,0,0,0|0,1,0]=1 27 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,0,0,0,0,0|2,0,0]=2 28 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,0,0,0,0,0|0,0,4]=4 30 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,0,0,0,0,0|0,0,4]=4 31 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,0,0,0,0,0|0,1,0]=1 32 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [0,0,0,0,0,0|0,2,0]=2 33 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,0,0|1,0,1]=3 34 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,0,0,0|1,0,2]=4 35 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,0,0|1,0,0]=2 36 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,0,0|0,0,0]=1 37 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,0,0|0,1,0]=2 38 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,0,0,0|1,0,2]=4 39 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,0,0,0|0,1,2]=4 40 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,0,0,0|2,0,1]=4 41 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,0,0,0|1,1,1]=4 42 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,0,0|2,0,0]=3 43 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,0,0|1,1,0]=3 44 B6R1.2 CC1=CN=NS1 CNP0149602.0 [1,0,0,0,0,0|2,1,0]=4 45 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,0,0|2,0,0]=3 46 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,0,0|2,0,0]=3 47 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,0,0|2,0,0]=3 49 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,0,0,0|2,0,1]=4 50 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.2 CC1=CSSC1 CNP0310441.0 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,0,0|1,1,0]=3 54 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,0,0,0|1,0,2]=4 55 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,0,0|2,0,0]=3 56 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,0,0,0|2,0,1]=4 57 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,0,0,0|0,1,2]=4 58 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 CN1CC=CC1 CNP0257888.0 [1,0,0,0,0,0|2,0,1]=4 61 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,0,0,0|2,0,1]=4 62 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,0,0,0|1,1,1]=4 63 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,0,0,0|1,1,1]=4 64 B6R1.2 N=C1NC=CN1 CNP0546499.0 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 N=C1NC=CS1 CNP0292445.0 [1,0,0,0,0,0|2,1,0]=4 66 B6R1.2 NC1=CN=CN1 CNP0269270.0 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 NC1=COC=N1 CNP0572216.0 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 NC1=NC=CN1 CNP0407827.0 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 NC1=NC=CS1 CNP0515899.0 [1,0,0,0,0,0|2,1,0]=4 70 B6R1.2 NC1=NNC=C1 CNP0210263.0 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 NN1C=CC=C1 CNP0148646.0 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,0,0,0|1,0,2]=4 73 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,0,0,0|0,0,2]=3 74 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,0,0|2,0,1]=4 75 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,0,0,0|1,0,1]=3 76 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,0,0,0|1,0,1]=3 77 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,0,0,0|0,0,2]=3 78 B6R1.2 O=C1OC=CO1 CNP0585701.0 [1,0,0,0,0,0|1,0,1]=3 79 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,0,0|0,0,0]=1 80 B6R1.2 OC1=CON=C1 CNP0302207.0 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 OC1=NNC=N1 CNP0175966.0 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 S=C1C=CSS1 CNP0140042.0 [1,0,0,0,0,0|1,2,0]=4 83 B6R1.2 S=S1NC=CO1 CNP0538348.0 [1,0,0,0,0,0|2,1,0]=4 84 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,0,0|0,2,0]=3 85 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,0,0|2,1,0]=4 86 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,1,0,0,0,0|1,0,2]=4 87 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,0,0,0|0,0,2]=3 88 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,1,0,0,0,0|0,0,0]=1 89 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,1,0,0,0,0|0,1,0]=2 90 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,1,0,0,0,0|0,1,2]=4 91 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,0,0,0|1,0,1]=3 92 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,1,0,0,0,0|1,1,0]=3 95 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,0,0,0|1,0,1]=3 96 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,1,0,0,0,0|2,1,0]=4 98 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,1,0,0,0,0|2,1,0]=4 103 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,0,0,0|1,0,1]=3 105 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,1,0,0,0,0|2,1,0]=4 107 B8R1.1 NCC1=CC(=NO1)O CNP0352634.0 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.1 NCC1=CC(=O)NO1 CNP0492109.0 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.1 O=C1C=CC(=N1)NO CNP0612038.0 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.1 O=C1C=CC(=NO)N1 CNP0272476.0 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,1,0,0,0,0|0,0,1]=2 113 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,0,0,0|0,0,3]=4 114 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,0,0,0|0,0,3]=4 115 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [0,1,0,0,0,0|0,0,2]=3 116 B8R1.1 O=NC1=CC=C(N1)O CNP0611370.0 [0,1,0,0,0,0|2,0,1]=4 117 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,1,0,0,0,0|1,0,2]=4 119 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,1,0,0,0,0|0,0,2]=3 120 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,1,0,0,0,0|0,1,2]=4 121 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,1,0,0,0,0|1,0,2]=4 122 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,1,0,0,0,0|0,0,0]=1 125 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,1,0,0,0,0|0,1,0]=2 127 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,1,0,0,0,0|1,0,2]=4 128 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,1,0,0,0,0|0,0,2]=3 129 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,1,0,0,0,0|1,0,1]=3 130 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,1,0,0,0,0|0,0,1]=2 131 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,1,0,0,0,0|2,0,1]=4 133 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.7 O=[N+]([O-])C1=CC=CS1 CNP0489740.0 [0,1,0,0,0,0|1,1,1]=4 139 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,1,0,0,0,0|1,0,1]=3 142 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,1,0,0,0,0|1,0,0]=2 143 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,1,0,0,0,0|1,1,0]=3 144 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [0,1,0,0,0,0|2,1,0]=4 146 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [0,1,0,0,0,0|2,1,0]=4 147 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,1,0,0,0,0|0,0,0]=1 148 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,1,0,0,0,0|0,1,0]=2 149 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [0,1,0,0,0,0|1,2,0]=4 150 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [0,1,0,0,0,0|1,1,0]=3 151 B8R1.8 NCCC1=CC=NN1 CNP0506107.0 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.8 NCCC1=CN=CN1 CNP0591741.0 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [0,1,0,0,0,0|0,0,1]=2 155 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [0,1,0,0,0,0|2,0,1]=4 156 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,1,0,0,0,0|0,1,0]=2 158 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [0,1,0,0,0,0|1,1,0]=3 160 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.8 OCCN1C=CN=C1 CNP0563989.0 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.8 ON=CC1=CC=CN1 CNP0104313.0 [0,1,0,0,0,0|1,0,1]=3 164 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [0,1,0,0,0,0|0,1,1]=3 165 B8R1.11 CC1=C(OC=N1)C#N CNP0043637.0 [0,1,0,0,0,0|2,0,1]=4 166 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,0,0,0|0,1,2]=4 167 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,0,0,0|2,0,1]=4 170 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [0,1,0,0,0,0|1,0,2]=4 172 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,0,1,0,0,0|2,0,1]=4 174 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,0,1,0,0,0|2,0,1]=4 175 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,0,1,0,0,0|1,0,0]=2 176 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,0,1,0,0,0|1,0,2]=4 177 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,0,1,0,0,0|2,0,0]=3 178 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,0,1,0,0,0|2,0,1]=4 179 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,0,1,0,0,0|1,0,2]=4 180 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,0,1,0,0,0|1,0,2]=4 181 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,0,1,0,0,0|2,0,1]=4 182 B6R0.6 C=CC=CCCC CNP0526826.0 [0,0,1,0,0,0|2,0,1]=4 183 B6R0.6 C=CCCCCO CNP0162421.0 [0,0,1,0,0,0|1,0,2]=4 184 B6R0.6 C=CCOCCO CNP0248950.0 [0,0,1,0,0,0|0,0,2]=3 185 B6R0.6 CC#CC=CCO CNP0610509.0 [0,0,1,0,0,0|1,0,2]=4 186 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,0,1,0,0,0|1,0,2]=4 187 B6R0.6 CC=CC=CCC CNP0608489.0 [0,0,1,0,0,0|2,0,0]=3 188 B6R0.6 CC=CC=CCO CNP0292375.0 [0,0,1,0,0,0|1,0,0]=2 189 B6R0.6 CC=CCCCO CNP0309139.0 [0,0,1,0,0,0|1,0,2]=4 190 B6R0.6 CC=COC=CC CNP0612224.0 [0,0,1,0,0,0|1,0,2]=4 191 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,0,1,0,0,0|1,0,2]=4 192 B6R0.6 CCC=CCC=O CNP0227189.0 [0,0,1,0,0,0|1,0,2]=4 193 B6R0.6 CCC=CCCO CNP0255718.0 [0,0,1,0,0,0|1,0,2]=4 194 B6R0.6 CCCC=CC=O CNP0263913.0 [0,0,1,0,0,0|1,0,2]=4 195 B6R0.6 CCCC=CCO CNP0254124.0 [0,0,1,0,0,0|1,0,2]=4 196 B6R0.6 CCCC=CNO CNP0162409.0 [0,0,1,0,0,0|2,0,1]=4 197 B6R0.6 CCCCC=CO CNP0511187.0 [0,0,1,0,0,0|1,0,2]=4 198 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,0,1,0,0,0|1,0,2]=4 199 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,0,1,0,0,0|1,0,2]=4 200 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,0,0,0,1,0|0,0,2]=3 201 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [0,0,0,0,0,1|2,0,0]=3 202 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [0,0,0,0,0,1|2,0,1]=4 203 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [0,0,0,0,0,1|2,0,1]=4 204 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [0,0,0,0,0,1|2,0,1]=4 205 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [0,0,0,0,0,1|2,0,1]=4 206 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [0,0,0,0,0,1|2,0,1]=4 207 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [0,0,0,0,0,1|2,0,1]=4 208 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [0,0,0,0,0,1|2,0,0]=3 209 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,0,0,0,0,1|2,0,0]=3 210 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,0,0,0,0,1|2,0,0]=3 211 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [0,0,0,0,0,1|3,0,0]=4 213 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [0,0,0,0,0,1|3,0,0]=4 214 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [0,0,0,0,0,1|3,0,0]=4 215 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [0,0,0,0,0,1|3,0,0]=4 216 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [0,0,0,0,0,1|3,0,0]=4 217 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [0,0,0,0,0,1|3,0,0]=4 218 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [0,0,0,0,0,1|3,0,0]=4 219 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [0,0,0,0,0,1|2,0,0]=3 222 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [0,0,0,0,0,1|2,0,1]=4 223 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [0,0,0,0,0,1|2,0,1]=4 224 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [0,0,0,0,0,1|2,0,1]=4 225 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [0,0,0,0,0,1|2,0,1]=4 226 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [0,0,0,0,0,1|2,0,1]=4 227 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [0,0,0,0,0,1|2,0,0]=3 228 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [0,0,0,0,0,1|2,0,0]=3 229 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [0,0,0,0,0,1|1,0,2]=4 232 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [0,0,0,0,0,1|1,0,2]=4 233 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,0,0,0,0,1|1,0,2]=4 234 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [0,0,0,0,0,1|1,0,2]=4 235 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [0,0,0,0,0,1|2,0,1]=4 236 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [0,0,0,0,0,1|2,0,1]=4 237 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [0,0,0,0,0,1|1,0,0]=2 238 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,0,0,0,0,1|1,0,0]=2 239 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [0,0,0,0,0,1|1,0,0]=2 240 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [0,0,0,0,0,1|1,0,0]=2 241 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,0,0,0,0,1|1,0,2]=4 242 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,0,0,0,0,1|1,0,2]=4 243 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [0,0,0,0,0,1|1,0,2]=4 244 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [0,0,0,0,0,1|1,0,2]=4 245 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [0,0,0,0,0,1|1,1,1]=4 246 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [0,0,0,0,0,1|1,1,0]=3 247 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [0,0,0,0,0,1|1,1,0]=3 248 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [0,0,0,0,0,1|1,1,0]=3 249 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [0,0,0,0,0,1|1,1,0]=3 250 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [0,0,0,0,0,1|1,0,0]=2 251 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [0,0,0,0,0,1|2,0,0]=3 252 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,1,0,0,0|1,0,1]=4 253 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,1,0,0,0|1,0,0]=3 254 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,1,0,0,0|0,0,2]=4 255 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,1,0,0,0|0,0,2]=4 256 B5R0.1 C=CCC(C)O CNP0594112.0 [1,0,1,0,0,0|0,0,2]=4 257 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,1,0,0,0|1,0,0]=3 258 B5R0.1 C=COC(C)C CNP0491165.0 [1,0,1,0,0,0|0,0,2]=4 259 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,1,0,0,0|2,0,0]=4 260 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,1,0,0,0|0,0,2]=4 261 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,1,0,0,0|0,0,2]=4 262 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,1,0,0,0|0,0,2]=4 263 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,1,0,0,0|0,0,2]=4 264 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,1,0,0,0|1,0,1]=4 265 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,1,0,0,0|1,0,1]=4 266 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,1,0,0,0|1,0,1]=4 267 B5R0.2 C=CC=CC=C CNP0612137.0 [1,0,1,0,0,0|1,0,1]=4 268 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,1,0,0,0|0,0,2]=4 269 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,1,0,0,0|1,0,0]=3 270 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,1,0,0,0|1,0,1]=4 271 B5R0.2 C=CCCCO CNP0003396.0 [1,0,1,0,0,0|0,0,2]=4 272 B5R0.2 C=CCOC=C CNP0367857.0 [1,0,1,0,0,0|0,0,2]=4 273 B5R0.2 C=CCOC=O CNP0541341.0 [1,0,1,0,0,0|0,0,2]=4 274 B5R0.2 CC=C=CCO CNP0426440.0 [1,0,1,0,0,0|0,0,2]=4 275 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,1,0,0,0|1,0,0]=3 276 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,1,0,0,0|0,0,2]=4 277 B5R0.2 CC=CCCO CNP0253382.0 [1,0,1,0,0,0|0,0,2]=4 278 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,1,0,0,0|0,0,2]=4 279 B5R0.2 CCC=CCO CNP0239009.0 [1,0,1,0,0,0|0,0,2]=4 280 B5R0.2 CCC=CSO CNP0458289.0 [1,0,1,0,0,0|1,0,1]=4 281 B5R0.2 CCCC=CO CNP0247153.0 [1,0,1,0,0,0|0,0,2]=4 282 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,1,0,0,0|0,0,1]=3 283 B5R0.2 OCC=CCO CNP0296138.0 [1,0,1,0,0,0|0,0,1]=3 284 B5R0.2 ON=CC=NO CNP0213631.0 [1,0,1,0,0,0|2,0,0]=4 285 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,1,0,0,0|2,0,0]=4 286 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,1,0,0,0|1,0,1]=4 287 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,1,0,0,0|1,0,1]=4 288 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,1,0,0,0|0,0,2]=4 289 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,1,0,0,0|1,0,1]=4 290 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,1,0,0,0|0,0,2]=4 291 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,1,0,0,0|1,0,1]=4 292 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,1,0,0,0|0,0,2]=4 293 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,0,1,0,0,0|1,0,1]=4 294 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,0,1,0,0,0|1,0,1]=4 295 B5R1.1 C1=CCC=C1 CNP0588646.0 [2,0,0,0,0,0|1,0,0]=3 296 B5R1.1 C1=CCOC1 CNP0579994.0 [2,0,0,0,0,0|0,0,2]=4 297 B5R1.1 C1=CNC=C1 CNP0578490.0 [2,0,0,0,0,0|1,0,0]=3 298 B5R1.1 C1=CNC=N1 CNP0593616.0 [2,0,0,0,0,0|2,0,0]=4 299 B5R1.1 C1=CNN=C1 CNP0583187.0 [2,0,0,0,0,0|2,0,0]=4 300 B5R1.1 C1=COC=C1 CNP0601420.0 [2,0,0,0,0,0|0,0,0]=2 301 B5R1.1 C1=COCC1 CNP0540644.0 [2,0,0,0,0,0|0,0,2]=4 302 B5R1.1 C1=CON=C1 CNP0611744.0 [2,0,0,0,0,0|1,0,0]=3 303 B5R1.1 C1=CSC=C1 CNP0604134.0 [2,0,0,0,0,0|0,1,0]=3 304 B5R1.1 C1=CSC=N1 CNP0495876.0 [2,0,0,0,0,0|1,1,0]=4 305 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [2,0,0,0,0,0|2,0,0]=4 306 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,1,1,0,0,0|1,0,1]=4 307 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,1,1,0,0,0|0,0,1]=3 308 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,1,1,0,0,0|2,0,0]=4 309 B7R0.12 N#CC=C(CO)CO CNP0217977.0 [0,1,1,0,0,0|1,0,1]=4 310 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,1,1,0,0,0|2,0,0]=4 311 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,1,1,0,0,0|2,0,0]=4 312 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,1,1,0,0,0|1,0,0]=3 313 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,1,1,0,0,0|1,0,1]=4 314 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,1,1,0,0,0|2,0,0]=4 315 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,1,1,0,0,0|1,0,0]=3 316 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,1,1,0,0,0|1,0,0]=3 317 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,1,1,0,0,0|0,0,1]=3 318 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,1,1,0,0,0|1,0,1]=4 319 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,1,1,0,0,0|1,0,1]=4 320 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,1,1,0,0,0|1,0,1]=4 321 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [1,1,0,0,0,0|0,0,1]=3 322 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [1,1,0,0,0,0|0,0,0]=2 323 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [1,1,0,0,0,0|0,1,0]=3 324 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [1,1,0,0,0,0|1,0,0]=3 325 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,1,0,0,0,0|1,0,1]=4 326 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,1,0,0,0,0|0,0,1]=3 327 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,1,0,0,0,0|0,0,2]=4 328 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [1,1,0,0,0,0|1,0,1]=4 329 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,1,0,0,0,0|1,0,0]=3 330 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,1,0,0,0,0|0,0,0]=2 331 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,1,0,0,0,0|0,1,0]=3 332 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,1,0,0,0,0|0,0,1]=3 333 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [1,1,0,0,0,0|2,0,0]=4 334 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [1,1,0,0,0,0|2,0,0]=4 335 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [1,1,0,0,0,0|1,0,0]=3 336 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [1,1,0,0,0,0|1,1,0]=4 337 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,1,0,0,0,0|0,0,0]=2 340 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [1,1,0,0,0,0|1,0,0]=3 341 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [1,1,0,0,0,0|0,1,0]=3 342 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [1,1,0,0,0,0|1,1,0]=4 343 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [1,1,0,0,0,0|2,0,0]=4 344 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [1,1,0,0,0,0|2,0,0]=4 345 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [1,1,0,0,0,0|1,0,0]=3 346 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,1,0,0,0,0|0,0,1]=3 347 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [1,1,0,0,0,0|0,0,2]=4 348 B7R1.2 N=C1C=C[C@H](N1)O CNP0200378.1 [1,1,0,0,0,0|1,0,1]=4 349 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [1,1,0,0,0,0|0,0,2]=4 350 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [1,1,0,0,0,0|1,0,1]=4 351 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [1,1,0,0,0,0|1,0,1]=4 352 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [1,1,0,0,0,0|0,0,1]=3 353 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [1,1,0,0,0,0|1,0,1]=4 354 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [1,1,0,0,0,0|1,0,1]=4 355 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [1,1,0,0,0,0|1,0,1]=4 356 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [1,1,0,0,0,0|2,0,0]=4 357 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [1,1,0,0,0,0|0,0,0]=2 358 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [1,1,0,0,0,0|0,1,0]=3 359 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [1,1,0,0,0,0|0,0,2]=4 360 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,1,0,0,0,0|0,0,0]=2 361 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [1,1,0,0,0,0|1,0,0]=3 362 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,1,0,0,0,0|0,1,0]=3 363 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [1,1,0,0,0,0|1,1,0]=4 364 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,1,0,0,0,0|0,0,2]=4 365 B7R1.4 CC1=CN=CN1C CNP0283331.0 [1,1,0,0,0,0|2,0,0]=4 366 B7R1.4 CC1=CSC=C1C CNP0084292.0 [1,1,0,0,0,0|2,0,0]=4 367 B7R1.4 CC1=NC=CN1C CNP0511652.0 [1,1,0,0,0,0|2,0,0]=4 368 B7R1.4 CN1CC=CC1=O CNP0611983.0 [1,1,0,0,0,0|2,0,0]=4 369 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [1,1,0,0,0,0|1,0,1]=4 370 B7R1.4 O=C1OCC=C1O CNP0541078.0 [1,1,0,0,0,0|0,0,2]=4 371 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [1,1,0,0,0,0|0,0,0]=2 372 B7R1.14 CC1(CC=CO1)O CNP0512442.0 [1,1,0,0,0,0|0,0,2]=4 373 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [0,1,0,0,0,1|1,0,0]=3 374 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [0,1,0,0,0,1|1,0,0]=3 375 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [0,1,0,0,0,1|2,0,0]=4 376 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [0,1,0,0,0,1|2,0,0]=4 378 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [0,1,0,0,0,1|0,0,2]=4 384 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [0,1,0,0,0,1|1,0,0]=3 385 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [0,1,0,0,0,1|1,0,0]=3 386 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [0,1,0,0,0,1|1,0,0]=3 387 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [0,1,0,0,0,1|1,0,0]=3 398 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [0,1,0,0,0,1|1,0,0]=3 399 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [0,1,0,0,0,1|1,0,0]=3 404 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,1,0,0,0,1|1,0,0]=3 406 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,1,0,0,0,1|1,0,0]=3 408 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,1,0,0,0,1|1,0,1]=4 409 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,1,0,0,0,1|1,0,1]=4 410 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,1,0,0,0,1|1,0,1]=4 411 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,1,0,0,0,1|1,0,1]=4 412 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,1,0,0,0,1|1,0,1]=4 413 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [0,1,0,0,0,1|1,0,1]=4 414 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,1,0,0,0,1|1,0,1]=4 415 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [0,1,0,0,0,1|1,0,0]=3 430 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [0,1,0,0,0,1|1,1,0]=4 431 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [0,1,0,0,0,1|1,0,1]=4 436 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [0,1,0,0,0,1|1,0,0]=3 437 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [0,1,0,0,0,1|1,0,1]=4 438 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [0,1,0,0,0,1|1,0,0]=3 439 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [0,1,0,0,0,1|1,1,0]=4 440 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [0,1,0,0,0,1|1,1,0]=4 441 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,1,0,0,0,1|1,0,0]=3 443 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,1,0,0,0,1|1,0,0]=3 444 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [0,1,0,0,0,1|1,0,0]=3 454 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [0,1,0,0,0,1|0,0,2]=4 456 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [0,1,0,0,0,1|1,0,0]=3 458 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [0,1,0,0,0,1|1,1,0]=4 459 B9R1.7 CC1=CC=C(O1)C=NO CNP0143047.0 [0,2,0,0,0,0|0,0,1]=3 460 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.7 NCCN1C=CC(=O)O1 CNP0169742.0 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.7 O=C1C=CC(=CCO)O1 CNP0169626.0 [0,2,0,0,0,0|0,0,0]=2 465 B9R1.7 ON=CC1=CC=C(O1)Br CNP0165465.0 [0,2,0,0,0,0|0,0,1]=3 466 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [0,2,0,0,0,0|1,0,0]=3 467 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [0,2,0,0,0,0|0,0,2]=4 468 B9R1.21 O=CC1=CC(=CO1)CO CNP0105622.0 [0,2,0,0,0,0|0,0,2]=4 469 B9R1.21 O=CC1=CC=C(N1)CO CNP0146563.0 [0,2,0,0,0,0|1,0,0]=3 470 B9R1.21 O=CC1=CC=C(O1)CO CNP0222574.0 [0,2,0,0,0,0|0,0,0]=2 471 B9R1.21 OCC1=CC=C(O1)CO CNP0279400.0 [0,2,0,0,0,0|0,0,0]=2 472 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [0,2,0,0,0,0|0,0,2]=4 473 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,2,0,0,0,0|0,0,1]=3 474 B9R1.22 CCC1=C(N=C(O1)C)C CNP0002748.0 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.22 O=C1C=C(C(=CBr)O1)Br CNP0402367.0 [0,2,0,0,0,0|1,0,1]=4 476 B9R1.22 O=C1C=C(C(O1)CO)O CNP0517348.0 [0,2,0,0,0,0|0,0,1]=3 477 B9R1.22 O=C1C=C(C(O1)O)CO CNP0131772.0 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.22 O=C1C=C([C@@H](O1)O)CO CNP0131772.1 [0,2,0,0,0,0|2,0,0]=4 479 B9R1.23 CC1=CC(=NC1=O)NO CNP0608993.0 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.23 CC1=CC(=NN1C)CO CNP0062885.0 [0,2,0,0,0,0|2,0,0]=4 481 B9R1.23 CC1=CC(=NO)NC1=O CNP0278916.0 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [0,2,0,0,0,0|1,0,1]=4 483 B9R1.23 CCC1=NC(=C(O1)C)C CNP0177649.0 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,2,0,0,0,0|0,0,2]=4 485 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,2,0,0,0,0|0,0,2]=4 486 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,2,0,0,0,0|1,0,1]=4 487 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,2,0,0,0,0|0,0,1]=3 488 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,2,0,0,0,0|1,0,0]=3 489 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,2,0,0,0,0|1,0,1]=4 490 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,2,0,0,0,0|0,0,1]=3 491 B9R1.35 C[C@@H](O)C1=CC(=O)CC1 CNP0072529.1 [0,2,0,0,0,0|1,0,1]=4 492 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,2,0,0,0,0|0,0,1]=3 493 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,2,0,0,0,0|0,0,1]=3 494 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,2,0,0,0,0|1,0,1]=4 495 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,2,0,0,0,0|1,0,1]=4 496 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,2,0,0,0,0|1,0,1]=4 497 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,2,0,0,0,0|0,0,1]=3 498 B9R1.35 O=[N+]([O-])C1=CC=C(O1)Br CNP0568973.0 [0,2,0,0,0,0|1,0,1]=4 499 B9R1.125 C[C@@]1(C=CC(=O)O1)CO CNP0110252.1 [0,2,0,0,0,0|0,0,1]=3 500 B9R1.132 CC1=C(OC=C1O)C=O CNP0517113.0 [0,2,0,0,0,0|0,0,2]=4 501 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,2,0,0,0,0|1,1,0]=4 502 B9R1.11 CC(=NO)C1=CC=CN1 CNP0158738.0 [0,2,0,0,0,0|1,0,1]=4 503 B9R1.11 CC(=NO)C1=CC=CS1 CNP0182466.0 [0,2,0,0,0,0|0,1,1]=4 504 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,2,0,0,0,0|1,0,0]=3 506 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,2,0,0,0,0|1,1,0]=4 507 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,2,0,0,0,0|1,0,1]=4 508 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,2,0,0,0,0|0,0,1]=3 509 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,2,0,0,0,0|0,0,2]=4 510 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [0,2,0,0,0,0|0,0,2]=4 511 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,2,0,0,0,0|0,0,0]=2 512 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [0,2,0,0,0,0|0,0,0]=2 513 B9R1.19 CC(C)(C)C1=CC=CS1 CNP0063130.0 [0,2,0,0,0,0|1,1,0]=4 514 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,2,0,0,0,0|1,0,1]=4 515 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,2,0,0,0,0|0,0,2]=4 516 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,2,0,0,0,0|0,0,2]=4 517 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,2,0,0,0,0|1,0,1]=4 518 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,2,0,0,0,0|0,0,1]=3 519 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,2,0,0,0,0|0,1,1]=4 520 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,2,0,0,0,0|1,0,0]=3 521 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,2,0,0,0,0|0,0,0]=2 523 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,2,0,0,0,0|0,1,0]=3 524 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [0,2,0,0,0,0|0,1,0]=3 525 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,2,0,0,0,0|0,0,2]=4 526 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [0,2,0,0,0,0|0,0,1]=3 527 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [0,2,0,0,0,0|0,0,0]=2 528 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [0,2,0,0,0,0|0,0,1]=3 529 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,2,0,0,0,0|0,0,1]=3 530 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,2,0,0,0,0|0,0,2]=4 531 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,2,0,0,0,0|1,1,0]=4 532 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,2,0,0,0,0|0,1,0]=3 533 B9R1.13 O=C(O)CC1=CN=CN1 CNP0253943.0 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.13 O=C(O)CC1=CNC=N1 CNP0530503.0 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,2,0,0,0,0|2,0,0]=4 536 B9R1.33 CC1=C(N=CO1)CCO CNP0137493.0 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.33 CC1=C(SC=N1)CCO CNP0408975.0 [0,2,0,0,0,0|1,1,0]=4 538 B9R1.14 O=CC1=C(C=CO1)CO CNP0587007.0 [0,2,0,0,0,0|0,0,2]=4 539 B9R1.24 CCC1=CC=CC1(C)C CNP0109712.0 [0,2,0,0,0,0|2,0,0]=4 540 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,1,1,0,0|2,0,0]=4 541 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,0,1,1,0,0|1,0,1]=4 542 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,1,1,0,0|2,0,0]=4 543 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [0,0,1,1,0,0|1,0,1]=4 544 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [0,0,1,1,0,0|2,0,0]=4 545 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [0,0,1,1,0,0|1,0,1]=4 546 B7R1.24 C1=CC=CCC=C1 CNP0339463.0 [0,0,1,1,0,0|2,0,0]=4 547 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [0,0,1,1,0,0|2,0,0]=4 548 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [1,0,0,1,0,0|0,0,0]=2 549 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,0,0,1,0,1|2,0,0]=4 550 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [0,0,0,1,0,1|2,0,0]=4 551 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [0,1,0,1,0,0|1,1,0]=4 552 B5R1.3 OCC1CO1 CNP0517243.0 [0,0,0,0,2,0|0,0,2]=4