0 B6R1.1 C1=CC=CC=C1 CNP0140642.0 [0,0,0,0,0,0|0,0,0]=0 1 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.1 C1=CC=[GeH]C=C1 CNP0610073.0 [0,0,0,0,0,0|0,1,0]=1 3 B6R1.1 C1=CCC=CC1 CNP0508932.0 [0,0,0,0,0,0|0,0,2]=2 4 B6R1.1 C1=CCCC=C1 CNP0267898.0 [0,0,0,0,0,0|0,0,2]=2 5 B6R1.1 C1=CCCCC1 CNP0275665.0 [0,0,0,0,0,0|0,0,4]=4 6 B6R1.1 C1=CCN=CC1 CNP0062927.0 [0,0,0,0,0,0|1,0,2]=3 7 B6R1.1 C1=CCNC=C1 CNP0081217.0 [0,0,0,0,0,0|1,0,1]=2 8 B6R1.1 C1=CCNCC1 CNP0086452.0 [0,0,0,0,0,0|1,0,3]=4 9 B6R1.1 C1=CCOC=C1 CNP0513975.0 [0,0,0,0,0,0|1,0,1]=2 10 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [0,0,0,0,0,0|1,0,1]=2 11 B6R1.1 C1=CN=CC=N1 CNP0190332.0 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [0,0,0,0,0,0|2,0,0]=2 13 B6R1.1 C1=CNCCC1 CNP0200592.0 [0,0,0,0,0,0|1,0,3]=4 14 B6R1.1 C1=CNCN=C1 CNP0472134.0 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.1 C1=COCCC1 CNP0583467.0 [0,0,0,0,0,0|1,0,3]=4 16 B6R1.1 C1=CP=PP=C1 CNP0580759.0 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.1 C1=CSSC=C1 CNP0509445.0 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.1 C1=CSSCC1 CNP0530429.0 [0,0,0,0,0,0|2,0,2]=4 19 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [0,0,0,0,0,0|0,0,4]=4 20 B6R1.1 [C]1=CC=CC=C1 CNP0517520.0 [0,0,0,0,0,0|0,0,1]=1 21 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [0,1,0,0,0,0|0,0,0]=1 22 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [0,1,0,0,0,0|0,0,1]=2 23 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,1,0,0,0,0|0,0,0]=1 24 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,1,0,0,0,0|0,0,2]=3 26 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [0,1,0,0,0,0|1,0,0]=2 27 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [0,1,0,0,0,0|1,0,0]=2 28 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [0,1,0,0,0,0|2,0,0]=3 29 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,1,0,0,0,0|0,0,2]=3 30 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [0,1,0,0,0,0|1,0,1]=3 32 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [0,1,0,0,0,0|1,0,1]=3 33 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [0,1,0,0,0,0|1,0,0]=2 34 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [0,1,0,0,0,0|0,0,0]=1 36 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [0,1,0,0,0,0|0,0,0]=1 37 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [0,1,0,0,0,0|1,0,0]=2 38 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [0,1,0,0,0,0|1,0,0]=2 39 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [0,1,0,0,0,0|0,0,0]=1 41 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [0,1,0,0,0,0|1,0,0]=2 43 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [0,1,0,0,0,0|1,0,0]=2 45 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,1,0,0,0,0|0,0,1]=2 48 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,1,0,0,0,0|1,0,0]=2 50 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,1,0,0,0,0|0,0,3]=4 52 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,1,0,0,0,0|1,0,2]=4 53 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [0,1,0,0,0,0|1,0,0]=2 54 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [0,1,0,0,0,0|1,0,0]=2 55 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,1,0,0,0,0|0,0,3]=4 57 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,1,0,0,0,0|1,0,2]=4 58 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [0,1,0,0,0,0|0,0,0]=1 60 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [0,1,0,0,0,0|1,0,0]=2 61 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [0,1,0,0,0,0|1,0,0]=2 62 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [0,1,0,0,0,0|1,0,0]=2 63 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,1,0,0,0,0|1,0,2]=4 64 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [0,1,0,0,0,0|0,0,0]=1 65 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [0,1,0,0,0,0|1,0,0]=2 66 B5R0.2 C=C=CCC=O CNP0509236.0 [0,0,1,0,0,0|1,0,2]=4 67 B5R0.2 C=CC=CC=C CNP0612137.0 [0,0,1,0,0,0|0,0,0]=1 68 B5R0.2 C=CC=CC=O CNP0022566.0 [0,0,1,0,0,0|1,0,0]=2 69 B5R0.2 C=CC=CCC CNP0495438.0 [0,0,1,0,0,0|0,0,2]=3 70 B5R0.2 C=CCC=CC CNP0292090.0 [0,0,1,0,0,0|0,0,2]=3 71 B5R0.2 C=CCCC=C CNP0079781.0 [0,0,1,0,0,0|0,0,2]=3 72 B5R0.2 C=CCCC=O CNP0076959.0 [0,0,1,0,0,0|1,0,2]=4 73 B5R0.2 C=CCOC=C CNP0367857.0 [0,0,1,0,0,0|1,0,1]=3 74 B5R0.2 C=CCOC=O CNP0541341.0 [0,0,1,0,0,0|2,0,1]=4 75 B5R0.2 CC=CC=CC CNP0611428.0 [0,0,1,0,0,0|0,0,2]=3 76 B5R0.2 CC=CCC=O CNP0167409.0 [0,0,1,0,0,0|1,0,2]=4 77 B5R0.2 CCC=CC=O CNP0328747.0 [0,0,1,0,0,0|1,0,2]=4 78 B5R0.2 O=CC=CCO CNP0112016.0 [0,0,1,0,0,0|2,0,1]=4 79 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [0,0,0,1,0,0|1,0,1]=3 80 B5R1.1 C1=CCC=C1 CNP0588646.0 [0,0,0,0,1,0|0,0,1]=2 81 B5R1.1 C1=CCCC1 CNP0534738.0 [0,0,0,0,1,0|0,0,3]=4 82 B5R1.1 C1=CCOC1 CNP0579994.0 [0,0,0,0,1,0|1,0,2]=4 83 B5R1.1 C1=CNC=C1 CNP0578490.0 [0,0,0,0,1,0|1,0,0]=2 84 B5R1.1 C1=CNC=N1 CNP0593616.0 [0,0,0,0,1,0|2,0,0]=3 85 B5R1.1 C1=CNCC1 CNP0527065.0 [0,0,0,0,1,0|1,0,2]=4 86 B5R1.1 C1=CNN=C1 CNP0583187.0 [0,0,0,0,1,0|2,0,0]=3 87 B5R1.1 C1=COC=C1 CNP0601420.0 [0,0,0,0,1,0|1,0,0]=2 88 B5R1.1 C1=COCC1 CNP0540644.0 [0,0,0,0,1,0|1,0,2]=4 89 B5R1.1 C1=CON=C1 CNP0611744.0 [0,0,0,0,1,0|2,0,0]=3 90 B5R1.1 C1=CSC=C1 CNP0604134.0 [0,0,0,0,1,0|1,0,0]=2 91 B5R1.1 C1=CSC=N1 CNP0495876.0 [0,0,0,0,1,0|2,0,0]=3 92 B5R1.1 C1=CSCC1 CNP0496655.0 [0,0,0,0,1,0|1,0,2]=4 93 B5R1.1 C1=CSCS1 CNP0479150.0 [0,0,0,0,1,0|2,0,1]=4 94 B5R1.1 C1=CSSC1 CNP0490976.0 [0,0,0,0,1,0|2,0,1]=4 95 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [0,0,0,0,1,0|2,0,0]=3 96 B5R1.1 C1=NNC=N1 CNP0513348.0 [0,0,0,0,1,0|3,0,0]=4 97 B7R1.24 C1=CC=CCC=C1 CNP0339463.0 [0,0,0,0,0,1|0,0,0]=1 98 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [0,0,0,0,0,1|0,0,2]=3 99 B4R0.2 C=CC=CC CNP0501543.0 [1,0,1,0,0,0|0,0,1]=3 100 B4R0.2 C=CC=NO CNP0532391.0 [1,0,1,0,0,0|2,0,0]=4 101 B4R0.2 C=CCC=C CNP0494589.0 [1,0,1,0,0,0|0,0,1]=3 102 B4R0.2 C=CSC=C CNP0525399.0 [1,0,1,0,0,0|1,0,0]=3 103 B4R0.2 CC=CC=O CNP0576575.0 [1,0,1,0,0,0|1,0,1]=4 104 B4R0.2 O=CC=CCl CNP0542132.0 [1,0,1,0,0,0|2,0,0]=4 105 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,1,1,0,0,0|0,0,0]=2 106 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,1,1,0,0,0|1,0,1]=4 107 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,1,1,0,0,0|0,0,2]=4 108 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [0,1,1,0,0,0|1,0,0]=3 109 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,1,1,0,0,0|0,0,2]=4 110 B6R0.6 C=CC#CC=CC CNP0360102.0 [0,1,1,0,0,0|0,0,2]=4 111 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,1,1,0,0,0|0,0,0]=2 112 B6R0.6 C=CC=CCCC CNP0526826.0 [0,1,1,0,0,0|0,0,2]=4 113 B6R0.6 C=CCCC=CC CNP0426808.0 [0,1,1,0,0,0|0,0,2]=4 114 B6R0.6 C=CCCCC=C CNP0115869.0 [0,1,1,0,0,0|0,0,2]=4 115 B6R0.6 C=CCNCC=C CNP0443858.0 [0,1,1,0,0,0|0,0,2]=4 116 B6R0.6 C=CCSCC=C CNP0303954.0 [0,1,1,0,0,0|0,0,2]=4 117 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,1,1,0,0,0|0,0,1]=3 118 B6R0.6 CC=CC=CCC CNP0608489.0 [0,1,1,0,0,0|0,0,2]=4 119 B6R0.6 CC=CC=CCO CNP0292375.0 [0,1,1,0,0,0|0,0,2]=4 120 B6R0.6 CC=COC=CC CNP0612224.0 [0,1,1,0,0,0|0,0,2]=4 121 B6R0.6 CC=CSC=CC CNP0002507.0 [0,1,1,0,0,0|0,0,2]=4 122 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [0,1,0,0,1,0|1,0,0]=3 123 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,1,0,0,1,0|0,0,2]=4 124 B6R1.2 CC1=CC=CN1 CNP0003130.0 [0,1,0,0,1,0|1,0,0]=3 125 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,1,0,0,1,0|1,0,0]=3 126 B6R1.2 CC1=CC=CS1 CNP0308280.0 [0,1,0,0,1,0|1,0,0]=3 127 B6R1.2 CC1=CN=CN1 CNP0175437.0 [0,1,0,0,1,0|2,0,0]=4 128 B6R1.2 CC1=CN=CS1 CNP0003129.0 [0,1,0,0,1,0|2,0,0]=4 129 B6R1.2 CC1=CNC=C1 CNP0578230.0 [0,1,0,0,1,0|1,0,0]=3 130 B6R1.2 CC1=CNC=N1 CNP0484047.0 [0,1,0,0,1,0|2,0,0]=4 131 B6R1.2 CC1=CNN=C1 CNP0179752.0 [0,1,0,0,1,0|2,0,0]=4 132 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,1,0,0,1,0|1,0,0]=3 133 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,1,0,0,1,0|1,0,0]=3 134 B6R1.2 CC1=CSC=N1 CNP0121199.0 [0,1,0,0,1,0|2,0,0]=4 135 B6R1.2 CC1=NC=CS1 CNP0611676.0 [0,1,0,0,1,0|2,0,0]=4 136 B6R1.2 CN1C=CC=C1 CNP0084622.0 [0,1,0,0,1,0|1,0,0]=3 137 B6R1.2 CN1C=CN=C1 CNP0492624.0 [0,1,0,0,1,0|2,0,0]=4 138 B6R1.2 IC1=CNN=C1 CNP0529767.0 [0,1,0,0,1,0|2,0,0]=4 139 B6R1.2 N=C1NC=CN1 CNP0546499.0 [0,1,0,0,1,0|2,0,0]=4 140 B6R1.2 N=C1NC=CS1 CNP0292445.0 [0,1,0,0,1,0|2,0,0]=4 141 B6R1.2 NC1=CN=CN1 CNP0269270.0 [0,1,0,0,1,0|2,0,0]=4 142 B6R1.2 NC1=COC=N1 CNP0572216.0 [0,1,0,0,1,0|2,0,0]=4 143 B6R1.2 NC1=NC=CN1 CNP0407827.0 [0,1,0,0,1,0|2,0,0]=4 144 B6R1.2 NC1=NC=CS1 CNP0515899.0 [0,1,0,0,1,0|2,0,0]=4 145 B6R1.2 NC1=NNC=C1 CNP0210263.0 [0,1,0,0,1,0|2,0,0]=4 146 B6R1.2 NN1C=CC=C1 CNP0148646.0 [0,1,0,0,1,0|1,0,0]=3 147 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,1,0,0,1,0|0,0,2]=4 148 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,1,0,0,1,0|1,0,1]=4 149 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [0,1,0,0,1,0|2,0,0]=4 150 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,1,0,0,1,0|2,0,0]=4 151 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,1,0,0,1,0|2,0,0]=4 152 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,1,0,0,1,0|1,0,1]=4 153 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,1,0,0,1,0|2,0,0]=4 154 B6R1.2 OC1=CC=CO1 CNP0600093.0 [0,1,0,0,1,0|1,0,0]=3 155 B6R1.2 OC1=CON=C1 CNP0302207.0 [0,1,0,0,1,0|2,0,0]=4 156 B6R1.2 S=C1C=CSS1 CNP0140042.0 [0,1,0,0,1,0|2,0,0]=4 157 B6R1.2 SC1=CC=CS1 CNP0113015.0 [0,1,0,0,1,0|1,0,0]=3 158 B6R1.2 SC1=CSC=C1 CNP0208450.0 [0,1,0,0,1,0|1,0,0]=3 159 B8R1.22 O=C1C=CC=CC=C1 CNP0609083.0 [0,1,0,0,0,1|0,0,0]=2 160 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [0,2,0,0,0,0|2,0,0]=4 161 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [0,2,0,0,0,0|0,0,0]=2 162 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [0,2,0,0,0,0|0,0,0]=2 163 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [0,2,0,0,0,0|1,0,0]=3 164 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [0,2,0,0,0,0|1,0,0]=3 165 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [0,2,0,0,0,0|0,0,2]=4 166 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [0,2,0,0,0,0|2,0,0]=4 167 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [0,2,0,0,0,0|0,0,0]=2 168 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,2,0,0,0,0|1,0,0]=3 169 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,2,0,0,0,0|1,0,0]=3 170 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,2,0,0,0,0|2,0,0]=4 171 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [0,2,0,0,0,0|1,0,0]=3 172 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [0,2,0,0,0,0|0,0,0]=2 173 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [0,2,0,0,0,0|0,0,0]=2 174 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [0,2,0,0,0,0|1,0,0]=3 175 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [0,2,0,0,0,0|1,0,0]=3 176 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [0,2,0,0,0,0|0,0,1]=3 177 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [0,2,0,0,0,0|2,0,0]=4 178 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [0,2,0,0,0,0|0,0,0]=2 179 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [0,2,0,0,0,0|2,0,0]=4 180 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [0,2,0,0,0,0|0,0,0]=2 181 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [0,2,0,0,0,0|0,0,0]=2 182 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [0,2,0,0,0,0|1,0,0]=3 183 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [0,2,0,0,0,0|1,0,0]=3 184 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [0,2,0,0,0,0|1,0,0]=3 185 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [0,2,0,0,0,0|2,0,0]=4 186 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [0,2,0,0,0,0|0,0,0]=2 187 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [0,2,0,0,0,0|1,0,0]=3 188 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [0,2,0,0,0,0|0,0,0]=2 189 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [0,2,0,0,0,0|0,0,0]=2 190 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [0,2,0,0,0,0|0,0,0]=2 191 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [0,2,0,0,0,0|1,0,0]=3 192 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,2,0,0,0,0|0,0,2]=4 193 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [0,2,0,0,0,0|1,0,0]=3 194 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [0,2,0,0,0,0|0,0,0]=2 195 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [0,2,0,0,0,0|1,0,0]=3 196 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [0,2,0,0,0,0|0,0,0]=2 197 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,2,0,0,0,0|0,0,2]=4 198 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [0,2,0,0,0,0|1,0,0]=3 199 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [0,2,0,0,0,0|1,0,0]=3 200 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [0,2,0,0,0,0|0,0,0]=2 201 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [0,2,0,0,0,0|0,0,0]=2 202 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [0,2,0,0,0,0|1,0,0]=3 203 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [0,2,0,0,0,0|1,0,0]=3 204 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [0,2,0,0,0,0|2,0,0]=4 205 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [0,2,0,0,0,0|0,0,0]=2 206 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [0,2,0,0,0,0|0,0,0]=2 207 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [0,2,0,0,0,0|0,0,0]=2 208 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [0,2,0,0,0,0|0,0,0]=2 209 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [0,2,0,0,0,0|0,0,0]=2 210 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [0,2,0,0,0,0|0,0,0]=2 211 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [0,2,0,0,0,0|0,0,0]=2 212 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [0,2,0,0,0,0|0,0,0]=2 213 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [0,2,0,0,0,0|0,0,0]=2 214 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [0,2,0,0,0,0|0,0,0]=2 215 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [0,2,0,0,0,0|1,0,0]=3 216 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [0,2,0,0,0,0|1,0,0]=3 217 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [0,2,0,0,0,0|1,0,0]=3 218 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [0,2,0,0,0,0|1,0,0]=3 219 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [0,2,0,0,0,0|1,0,0]=3 220 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [0,2,0,0,0,0|1,0,0]=3 221 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [0,2,0,0,0,0|2,0,0]=4 222 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [0,2,0,0,0,0|1,0,0]=3 223 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [0,2,0,0,0,0|1,0,0]=3 224 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [0,2,0,0,0,0|0,0,0]=2 225 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [0,2,0,0,0,0|0,0,0]=2 226 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [0,2,0,0,0,0|0,0,0]=2 227 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [0,2,0,0,0,0|0,0,0]=2 228 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [0,2,0,0,0,0|0,0,0]=2 229 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [0,2,0,0,0,0|1,0,0]=3 230 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [0,2,0,0,0,0|1,0,0]=3 231 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [0,2,0,0,0,0|1,0,0]=3 232 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [0,2,0,0,0,0|1,0,0]=3 233 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [0,2,0,0,0,0|0,0,0]=2 234 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,2,0,0,0,0|0,0,2]=4 235 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,2,0,0,0,0|1,0,1]=4 236 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [0,2,0,0,0,0|0,0,0]=2 237 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [0,2,0,0,0,0|0,0,0]=2 238 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [0,2,0,0,0,0|0,0,0]=2 239 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [0,2,0,0,0,0|0,0,0]=2 240 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [0,2,0,0,0,0|0,0,0]=2 241 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [0,2,0,0,0,0|1,0,0]=3 242 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [0,2,0,0,0,0|1,0,0]=3 243 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [0,2,0,0,0,0|1,0,0]=3 244 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,2,0,0,0,0|1,0,0]=3 245 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,2,0,0,0,0|1,0,0]=3 246 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [0,2,0,0,0,0|0,0,0]=2 247 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,2,0,0,0,0|0,0,0]=2 248 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [0,2,0,0,0,0|0,0,0]=2 249 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [0,2,0,0,0,0|0,0,0]=2 250 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,2,0,0,0,0|0,0,0]=2 251 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [0,2,0,0,0,0|1,0,0]=3 252 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,2,0,0,0,0|1,0,0]=3 253 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [0,2,0,0,0,0|1,0,0]=3 254 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [0,2,0,0,0,0|1,0,0]=3 255 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,2,0,0,0,0|1,0,0]=3 256 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [0,2,0,0,0,0|1,0,0]=3 257 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [0,2,0,0,0,0|2,0,0]=4 258 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,2,0,0,0,0|2,0,0]=4 259 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [0,2,0,0,0,0|1,0,0]=3 260 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,2,0,0,0,0|0,0,2]=4 261 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,2,0,0,0,0|1,0,0]=3 262 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [0,2,0,0,0,0|1,0,0]=3 263 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [0,2,0,0,0,0|2,0,0]=4 264 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [0,2,0,0,0,0|2,0,0]=4 265 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [0,2,0,0,0,0|0,0,0]=2 266 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [0,2,0,0,0,0|2,0,0]=4 267 B8R1.4 N=C1C=CNC(=N)N1 CNP0079987.0 [0,2,0,0,0,0|2,0,0]=4 268 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [0,2,0,0,0,0|0,0,0]=2 269 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [0,2,0,0,0,0|0,0,0]=2 270 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [0,2,0,0,0,0|0,0,0]=2 271 B8R1.4 NC1=CC=NC(=N1)N CNP0488931.0 [0,2,0,0,0,0|2,0,0]=4 272 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [0,2,0,0,0,0|2,0,0]=4 273 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [0,2,0,0,0,0|2,0,0]=4 274 B8R1.4 NC1=CN=CC(=N1)Cl CNP0482214.0 [0,2,0,0,0,0|2,0,0]=4 275 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [0,2,0,0,0,0|2,0,0]=4 276 B8R1.4 NC1=NC(=O)NC=C1 CNP0547250.0 [0,2,0,0,0,0|2,0,0]=4 277 B8R1.4 O=C1C=CNC(=O)N1 CNP0289236.0 [0,2,0,0,0,0|2,0,0]=4 278 B8R1.4 O=C1C=CNC(=S)N1 CNP0267533.0 [0,2,0,0,0,0|2,0,0]=4 279 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,2,0,0,0,0|2,0,0]=4 280 B8R1.4 O=C1NC=CC(=S)N1 CNP0526922.0 [0,2,0,0,0,0|2,0,0]=4 281 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [0,2,0,0,0,0|0,0,0]=2 282 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [0,2,0,0,0,0|0,0,0]=2 283 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [0,2,0,0,0,0|2,0,0]=4 284 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [0,2,0,0,0,0|2,0,0]=4 285 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [0,2,0,0,0,0|2,0,0]=4 286 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [0,2,0,0,0,0|0,0,0]=2 287 B8R1.4 [O-][N+]1=CC=NC(=C1)O CNP0482940.0 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [0,2,0,0,0,0|2,0,0]=4 289 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [0,2,0,0,0,0|0,0,1]=3 290 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,2,0,0,0,0|0,0,2]=4 291 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [0,2,0,0,0,0|0,0,0]=2 292 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [0,2,0,0,0,0|0,0,0]=2 293 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [0,2,0,0,0,0|0,0,0]=2 294 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [0,2,0,0,0,0|0,0,0]=2 295 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,2,0,0,0,0|0,0,0]=2 296 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [0,2,0,0,0,0|0,0,0]=2 297 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [0,2,0,0,0,0|1,0,0]=3 298 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [0,2,0,0,0,0|1,0,0]=3 299 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [0,2,0,0,0,0|1,0,0]=3 300 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [0,2,0,0,0,0|1,0,0]=3 301 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [0,2,0,0,0,0|1,0,0]=3 302 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [0,2,0,0,0,0|1,0,0]=3 303 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [0,2,0,0,0,0|1,0,0]=3 304 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [0,2,0,0,0,0|2,0,0]=4 305 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,2,0,0,0,0|1,0,0]=3 306 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [0,2,0,0,0,0|2,0,0]=4 307 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [0,2,0,0,0,0|0,0,0]=2 308 B8R1.5 ClC1C=CC=CC1Cl CNP0452239.0 [0,2,0,0,0,0|0,0,2]=4 309 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [0,2,0,0,0,0|1,0,0]=3 310 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [0,2,0,0,0,0|0,0,0]=2 311 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [0,2,0,0,0,0|0,0,0]=2 312 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [0,2,0,0,0,0|0,0,0]=2 313 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [0,2,0,0,0,0|0,0,0]=2 314 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [0,2,0,0,0,0|1,0,0]=3 315 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [0,2,0,0,0,0|1,0,0]=3 316 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [0,2,0,0,0,0|0,0,0]=2 317 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,2,0,0,0,0|0,0,1]=3 318 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [0,2,0,0,0,0|1,0,0]=3 319 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [0,2,0,0,0,0|1,0,0]=3 320 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [0,2,0,0,0,0|1,0,0]=3 321 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,2,0,0,0,0|1,0,0]=3 322 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [0,2,0,0,0,0|0,0,0]=2 323 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [0,2,0,0,0,0|0,0,0]=2 324 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [0,2,0,0,0,0|0,0,0]=2 325 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [0,2,0,0,0,0|1,0,0]=3 326 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [0,2,0,0,0,0|1,0,0]=3 327 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [0,2,0,0,0,0|1,0,0]=3 328 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [0,2,0,0,0,0|1,0,0]=3 329 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [0,2,0,0,0,0|0,0,0]=2 330 B8R1.5 O[C@@H]1C=CC=C[C@@H]1O CNP0314922.2 [0,2,0,0,0,0|0,0,2]=4 331 B8R1.5 O[C@@H]1C=CC=C[C@H]1O CNP0314922.1 [0,2,0,0,0,0|0,0,2]=4 332 B8R1.5 O[C@H]1C=CC=C[C@@H]1O CNP0314922.3 [0,2,0,0,0,0|0,0,2]=4 333 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [0,2,0,0,0,0|0,0,0]=2 334 B8R1.5 [O-]N1C=CC=CC1=S CNP0491195.0 [0,2,0,0,0,0|1,0,0]=3 335 B8R1.5 [O-]N1C=CC=CC1=S CNP0532331.0 [0,2,0,0,0,0|1,0,0]=3 336 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [0,2,0,0,0,0|1,0,0]=3 337 B8R1.72 O=S1(=O)C=CC=CN1 CNP0480908.0 [0,2,0,0,0,0|2,0,0]=4 338 B8R2.25 C1=CC2OC2C=C1 CNP0472206.0 [0,0,0,1,0,1|0,0,2]=4 339 B8R2.25 C1=CC=C2CC2=C1 CNP0076757.0 [0,0,0,1,0,1|0,0,0]=2 340 B4R1.1 C1=COC1 CNP0610072.0 [0,0,0,0,2,0|1,0,1]=4 341 B8R1.49 C1=CC=CC=CC=C1 CNP0580614.0 [0,0,0,0,0,2|0,0,0]=2 342 B8R1.49 C1=CCC=CCC=C1 CNP0540029.0 [0,0,0,0,0,2|0,0,0]=2 343 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [0,0,0,0,0,2|0,0,2]=4