0 B5R1.1 C1=CCC=C1 CNP0588646.0 [0,0,0,0,0,0|1,0,0]=1 1 B5R1.1 C1=CCCC1 CNP0534738.0 [0,0,0,0,0,0|1,0,2]=3 2 B5R1.1 C1=CCOC1 CNP0579994.0 [0,0,0,0,0,0|1,0,2]=3 3 B5R1.1 C1=CNC=C1 CNP0578490.0 [0,0,0,0,0,0|0,0,0]=0 4 B5R1.1 C1=CNC=N1 CNP0593616.0 [0,0,0,0,0,0|1,0,0]=1 5 B5R1.1 C1=CNCC1 CNP0527065.0 [0,0,0,0,0,0|0,0,2]=2 6 B5R1.1 C1=CNN=C1 CNP0583187.0 [0,0,0,0,0,0|1,0,0]=1 7 B5R1.1 C1=COC=C1 CNP0601420.0 [0,0,0,0,0,0|1,0,0]=1 8 B5R1.1 C1=COCC1 CNP0540644.0 [0,0,0,0,0,0|1,0,2]=3 9 B5R1.1 C1=CON=C1 CNP0611744.0 [0,0,0,0,0,0|1,0,1]=2 10 B5R1.1 C1=CSC=C1 CNP0604134.0 [0,0,0,0,0,0|1,0,0]=1 11 B5R1.1 C1=CSC=N1 CNP0495876.0 [0,0,0,0,0,0|1,0,1]=2 12 B5R1.1 C1=CSCC1 CNP0496655.0 [0,0,0,0,0,0|1,0,2]=3 13 B5R1.1 C1=CSCS1 CNP0479150.0 [0,0,0,0,0,0|2,0,1]=3 14 B5R1.1 C1=CSSC1 CNP0490976.0 [0,0,0,0,0,0|2,0,1]=3 15 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [0,0,0,0,0,0|1,0,1]=2 16 B5R1.1 C1=NCCC1 CNP0581055.0 [0,0,0,0,0,0|0,0,4]=4 17 B5R1.1 C1=NNC=N1 CNP0513348.0 [0,0,0,0,0,0|2,0,0]=2 18 B5R1.1 C1=PCCC1 CNP0609027.0 [0,0,0,0,0,0|0,1,3]=4 19 B5R1.1 C1CCNC1 CNP0572990.0 [0,0,0,0,0,0|0,0,4]=4 20 B5R1.1 C1CSCN1 CNP0561874.0 [0,0,0,0,0,0|1,0,3]=4 21 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [0,1,0,0,0,0|0,0,1]=2 22 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,1,0,0,0,0|1,0,1]=3 23 B6R1.2 CC1=CC=CN1 CNP0003130.0 [0,1,0,0,0,0|0,0,0]=1 24 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,1,0,0,0,0|1,0,0]=2 25 B6R1.2 CC1=CC=CS1 CNP0308280.0 [0,1,0,0,0,0|1,0,0]=2 26 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,1,0,0,0,0|1,0,2]=4 27 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,1,0,0,0,0|1,0,2]=4 28 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,1,0,0,0,0|1,0,2]=4 29 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,1,0,0,0,0|2,0,1]=4 30 B6R1.2 CC1=CN=CN1 CNP0175437.0 [0,1,0,0,0,0|1,0,0]=2 31 B6R1.2 CC1=CN=CS1 CNP0003129.0 [0,1,0,0,0,0|1,0,1]=3 32 B6R1.2 CC1=CN=NS1 CNP0149602.0 [0,1,0,0,0,0|2,0,1]=4 33 B6R1.2 CC1=CNC=C1 CNP0578230.0 [0,1,0,0,0,0|0,0,0]=1 34 B6R1.2 CC1=CNC=N1 CNP0484047.0 [0,1,0,0,0,0|1,0,0]=2 35 B6R1.2 CC1=CNN=C1 CNP0179752.0 [0,1,0,0,0,0|1,0,0]=2 36 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,1,0,0,0,0|1,0,0]=2 37 B6R1.2 CC1=COCC1 CNP0002470.0 [0,1,0,0,0,0|1,0,2]=4 38 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,1,0,0,0,0|1,0,0]=2 39 B6R1.2 CC1=CSC=N1 CNP0121199.0 [0,1,0,0,0,0|1,0,1]=3 40 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,1,0,0,0,0|2,0,1]=4 41 B6R1.2 CC1=NC=CS1 CNP0611676.0 [0,1,0,0,0,0|1,0,1]=3 42 B6R1.2 CC1=NN=CO1 CNP0610339.0 [0,1,0,0,0,0|2,0,1]=4 43 B6R1.2 CC1C=COC1 CNP0165220.0 [0,1,0,0,0,0|1,0,2]=4 44 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,1,0,0,0,0|1,0,2]=4 45 B6R1.2 CN1C=CC=C1 CNP0084622.0 [0,1,0,0,0,0|0,0,0]=1 46 B6R1.2 CN1C=CN=C1 CNP0492624.0 [0,1,0,0,0,0|1,0,0]=2 47 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,1,0,0,0,0|0,0,2]=3 48 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,1,0,0,0,0|0,0,2]=3 49 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [0,1,0,0,0,0|2,0,1]=4 50 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [0,1,0,0,0,0|2,0,1]=4 51 B6R1.2 IC1=CNN=C1 CNP0529767.0 [0,1,0,0,0,0|1,0,0]=2 52 B6R1.2 N=C1NC=CN1 CNP0546499.0 [0,1,0,0,0,0|1,0,0]=2 53 B6R1.2 N=C1NC=CS1 CNP0292445.0 [0,1,0,0,0,0|1,0,0]=2 54 B6R1.2 NC1=CN=CN1 CNP0269270.0 [0,1,0,0,0,0|1,0,0]=2 55 B6R1.2 NC1=COC=N1 CNP0572216.0 [0,1,0,0,0,0|1,0,1]=3 56 B6R1.2 NC1=NC=CN1 CNP0407827.0 [0,1,0,0,0,0|1,0,0]=2 57 B6R1.2 NC1=NC=CS1 CNP0515899.0 [0,1,0,0,0,0|1,0,1]=3 58 B6R1.2 NC1=NC=NN1 CNP0407759.0 [0,1,0,0,0,0|2,0,0]=3 59 B6R1.2 NC1=NNC=C1 CNP0210263.0 [0,1,0,0,0,0|1,0,0]=2 60 B6R1.2 NN1C=CC=C1 CNP0148646.0 [0,1,0,0,0,0|0,0,0]=1 61 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,1,0,0,0,0|1,0,1]=3 62 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,1,0,0,0,0|1,0,1]=3 63 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [0,1,0,0,0,0|1,0,1]=3 64 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,1,0,0,0,0|1,0,0]=2 65 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,1,0,0,0,0|2,0,0]=3 66 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,1,0,0,0,0|1,0,1]=3 67 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,1,0,0,0,0|0,0,3]=4 68 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,1,0,0,0,0|1,0,2]=4 69 B6R1.2 O=C1CCON1 CNP0325381.0 [0,1,0,0,0,0|1,0,2]=4 70 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,1,0,0,0,0|1,0,1]=3 71 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,1,0,0,0,0|1,0,2]=4 72 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,1,0,0,0,0|2,0,0]=3 73 B6R1.2 OC1=CC=CO1 CNP0600093.0 [0,1,0,0,0,0|1,0,0]=2 74 B6R1.2 OC1=CON=C1 CNP0302207.0 [0,1,0,0,0,0|1,0,1]=3 75 B6R1.2 OC1=NNC=N1 CNP0175966.0 [0,1,0,0,0,0|2,0,0]=3 76 B6R1.2 S=C1C=CSS1 CNP0140042.0 [0,1,0,0,0,0|2,0,0]=3 77 B6R1.2 S=C1NCCN1 CNP0310090.0 [0,1,0,0,0,0|1,0,2]=4 78 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,1,0,0,0,0|1,0,2]=4 79 B6R1.2 S=S1NC=CO1 CNP0538348.0 [0,1,0,0,0,0|2,0,0]=3 80 B6R1.2 SC1=CC=CS1 CNP0113015.0 [0,1,0,0,0,0|1,0,0]=2 81 B6R1.2 SC1=CSC=C1 CNP0208450.0 [0,1,0,0,0,0|1,0,0]=2 82 B4R0.2 C#CC=CC CNP0541501.0 [0,0,1,0,0,0|1,0,2]=4 83 B4R0.2 C=C=CCC CNP0484675.0 [0,0,1,0,0,0|1,0,2]=4 84 B4R0.2 C=CC=CC CNP0501543.0 [0,0,1,0,0,0|1,0,0]=2 85 B4R0.2 C=CC=NO CNP0532391.0 [0,0,1,0,0,0|1,0,1]=3 86 B4R0.2 C=CCC#N CNP0498043.0 [0,0,1,0,0,0|0,0,3]=4 87 B4R0.2 C=CCC=C CNP0494589.0 [0,0,1,0,0,0|1,0,0]=2 88 B4R0.2 C=CCCC CNP0529271.0 [0,0,1,0,0,0|1,0,2]=4 89 B4R0.2 C=CCCN CNP0493733.0 [0,0,1,0,0,0|0,0,2]=3 90 B4R0.2 C=CCCO CNP0599473.0 [0,0,1,0,0,0|1,0,2]=4 91 B4R0.2 C=CCSC CNP0572475.0 [0,0,1,0,0,0|1,0,2]=4 92 B4R0.2 C=CCSO CNP0600527.0 [0,0,1,0,0,0|2,0,1]=4 93 B4R0.2 C=CC[Se]C CNP0612039.0 [0,0,1,0,0,0|1,0,2]=4 94 B4R0.2 C=COCC CNP0567970.0 [0,0,1,0,0,0|1,0,2]=4 95 B4R0.2 C=CSC=C CNP0525399.0 [0,0,1,0,0,0|1,0,0]=2 96 B4R0.2 C=CSCC CNP0581257.0 [0,0,1,0,0,0|1,0,2]=4 97 B4R0.2 CC=CC#N CNP0588304.0 [0,0,1,0,0,0|0,0,3]=4 98 B4R0.2 CC=CC=O CNP0576575.0 [0,0,1,0,0,0|1,0,1]=3 99 B4R0.2 CC=CCC CNP0524560.0 [0,0,1,0,0,0|1,0,2]=4 100 B4R0.2 CC=CCO CNP0498228.0 [0,0,1,0,0,0|1,0,2]=4 101 B4R0.2 CC=CCS CNP0606069.0 [0,0,1,0,0,0|1,0,2]=4 102 B4R0.2 CC=CSC CNP0587371.0 [0,0,1,0,0,0|1,0,2]=4 103 B4R0.2 CC=CSO CNP0521494.0 [0,0,1,0,0,0|2,0,1]=4 104 B4R0.2 CN=CC=S CNP0547393.0 [0,0,1,0,0,0|1,0,2]=4 105 B4R0.2 ClC=CCCl CNP0530301.0 [0,0,1,0,0,0|2,0,1]=4 106 B4R0.2 NCCC=O CNP0502520.0 [0,0,1,0,0,0|1,0,2]=4 107 B4R0.2 O=CC=CCl CNP0542132.0 [0,0,1,0,0,0|2,0,0]=3 108 B4R0.2 O=CCC=O CNP0495847.0 [0,0,1,0,0,0|2,0,1]=4 109 B4R0.2 OCC=CCl CNP0578872.0 [0,0,1,0,0,0|2,0,1]=4 110 B4R1.1 C1=COC1 CNP0610072.0 [0,0,0,0,1,0|1,0,1]=3 111 B6R1.1 C1=CC=CC=C1 CNP0140642.0 [0,0,0,0,0,1|1,0,0]=2 112 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [0,0,0,0,0,1|0,0,1]=2 113 B6R1.1 C1=CC=[GeH]C=C1 CNP0610073.0 [0,0,0,0,0,1|1,0,0]=2 114 B6R1.1 C1=CCC=CC1 CNP0508932.0 [0,0,0,0,0,1|1,0,0]=2 115 B6R1.1 C1=CCCC=C1 CNP0267898.0 [0,0,0,0,0,1|1,0,0]=2 116 B6R1.1 C1=CCCCC1 CNP0275665.0 [0,0,0,0,0,1|1,0,2]=4 117 B6R1.1 C1=CCN=CC1 CNP0062927.0 [0,0,0,0,0,1|0,0,2]=3 118 B6R1.1 C1=CCNC=C1 CNP0081217.0 [0,0,0,0,0,1|0,0,0]=1 119 B6R1.1 C1=CCNCC1 CNP0086452.0 [0,0,0,0,0,1|0,0,2]=3 120 B6R1.1 C1=CCOC=C1 CNP0513975.0 [0,0,0,0,0,1|1,0,0]=2 121 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [0,0,0,0,0,1|1,0,0]=2 122 B6R1.1 C1=CN=CC=N1 CNP0190332.0 [0,0,0,0,0,1|0,0,1]=2 123 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [0,0,0,0,0,1|0,0,1]=2 124 B6R1.1 C1=CNCCC1 CNP0200592.0 [0,0,0,0,0,1|0,0,2]=3 125 B6R1.1 C1=CNCN=C1 CNP0472134.0 [0,0,0,0,0,1|0,0,1]=2 126 B6R1.1 C1=COCCC1 CNP0583467.0 [0,0,0,0,0,1|1,0,2]=4 127 B6R1.1 C1=CP=PP=C1 CNP0580759.0 [0,0,0,0,0,1|1,1,0]=3 128 B6R1.1 C1=CSSC=C1 CNP0509445.0 [0,0,0,0,0,1|1,0,0]=2 129 B6R1.1 C1=CSSCC1 CNP0530429.0 [0,0,0,0,0,1|1,0,2]=4 130 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [0,0,0,0,0,1|1,0,2]=4 131 B6R1.1 [C]1=CC=CC=C1 CNP0517520.0 [0,0,0,0,0,1|1,0,0]=2 132 B3R0.1 C=C=CBr CNP0595246.0 [1,0,1,0,0,0|1,0,1]=4 133 B3R0.1 C=C=CC CNP0584937.0 [1,0,1,0,0,0|0,0,2]=4 134 B3R0.1 C=CC#N CNP0580732.0 [1,0,1,0,0,0|0,0,2]=4 135 B3R0.1 C=CC=C CNP0574781.0 [1,0,1,0,0,0|0,0,0]=2 136 B3R0.1 C=CC=O CNP0603221.0 [1,0,1,0,0,0|1,0,0]=3 137 B3R0.1 C=CC=S CNP0501678.0 [1,0,1,0,0,0|1,0,0]=3 138 B3R0.1 C=CCC CNP0490956.0 [1,0,1,0,0,0|0,0,2]=4 139 B3R0.1 C=CCN CNP0585503.0 [1,0,1,0,0,0|0,0,1]=3 140 B3R0.1 C=CCO CNP0561492.0 [1,0,1,0,0,0|1,0,1]=4 141 B3R0.1 C=CCS CNP0575677.0 [1,0,1,0,0,0|1,0,1]=4 142 B3R0.1 C=COC CNP0611794.0 [1,0,1,0,0,0|1,0,1]=4 143 B3R0.1 CC=CBr CNP0509639.0 [1,0,1,0,0,0|1,0,1]=4 144 B3R0.1 CC=CC CNP0597271.0 [1,0,1,0,0,0|0,0,2]=4 145 B3R0.1 CC=CS CNP0589530.0 [1,0,1,0,0,0|1,0,1]=4 146 B3R0.1 CNC=O CNP0565671.0 [1,0,1,0,0,0|1,0,1]=4 147 B3R0.1 ClC=CCl CNP0610334.0 [1,0,1,0,0,0|2,0,0]=4 148 B3R0.1 N=CCN CNP0547283.0 [1,0,1,0,0,0|1,0,1]=4 149 B3R0.1 NC=CS CNP0577276.0 [1,0,1,0,0,0|1,0,0]=3 150 B3R0.1 NCC=O CNP0566697.0 [1,0,1,0,0,0|1,0,1]=4 151 B3R0.1 NNC=O CNP0501881.0 [1,0,1,0,0,0|2,0,0]=4 152 B3R0.1 O=CC=O CNP0605189.0 [1,0,1,0,0,0|2,0,0]=4 153 B3R0.1 OC=CO CNP0508859.0 [1,0,1,0,0,0|2,0,0]=4 154 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,1,1,0,0,0|1,0,0]=3 155 B5R0.1 C=CC=C(C)C CNP0130651.0 [0,1,1,0,0,0|1,0,0]=3 156 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,1,1,0,0,0|1,0,1]=4 157 B5R0.1 C=CCC(=O)N CNP0292806.0 [0,1,1,0,0,0|0,0,1]=3 158 B5R0.1 C=CCC(=O)O CNP0172155.0 [0,1,1,0,0,0|1,0,1]=4 159 B5R0.1 C=COC(=O)C CNP0003526.0 [0,1,1,0,0,0|1,0,1]=4 160 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,1,1,0,0,0|1,0,1]=4 161 B5R0.1 CC=CC(=N)S CNP0609462.0 [0,1,1,0,0,0|0,0,2]=4 162 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,1,1,0,0,0|1,0,1]=4 163 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [0,1,1,0,0,0|1,0,1]=4 164 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,1,1,0,0,0|0,0,1]=3 165 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,1,1,0,0,0|1,0,1]=4 166 B5R0.1 CC=CC(=O)S CNP0128183.0 [0,1,1,0,0,0|1,0,1]=4 167 B5R0.1 CC=CC(=S)N CNP0219494.0 [0,1,1,0,0,0|0,0,1]=3 168 B5R0.1 NC(=O)C=CI CNP0204270.0 [0,1,1,0,0,0|1,0,0]=3 169 B5R0.1 O=C(O)C=CBr CNP0310992.0 [0,1,1,0,0,0|2,0,0]=4 170 B5R0.1 O=C(O)C=CCl CNP0293481.0 [0,1,1,0,0,0|2,0,0]=4 171 B5R0.1 O=C(O)C=CI CNP0239582.0 [0,1,1,0,0,0|2,0,0]=4 172 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [0,1,1,0,0,0|2,0,0]=4 173 B5R0.2 C=C=CCC=O CNP0509236.0 [0,1,1,0,0,0|1,0,1]=4 174 B5R0.2 C=CC=CC=C CNP0612137.0 [0,1,1,0,0,0|1,0,0]=3 175 B5R0.2 C=CC=CC=O CNP0022566.0 [0,1,1,0,0,0|1,0,0]=3 176 B5R0.2 C=CC=CCC CNP0495438.0 [0,1,1,0,0,0|1,0,0]=3 177 B5R0.2 C=CCC=CC CNP0292090.0 [0,1,1,0,0,0|1,0,0]=3 178 B5R0.2 C=CCCC=C CNP0079781.0 [0,1,1,0,0,0|1,0,0]=3 179 B5R0.2 C=CCCC=O CNP0076959.0 [0,1,1,0,0,0|1,0,1]=4 180 B5R0.2 C=CCOC=C CNP0367857.0 [0,1,1,0,0,0|1,0,0]=3 181 B5R0.2 C=CCOC=O CNP0541341.0 [0,1,1,0,0,0|1,0,1]=4 182 B5R0.2 CC=CC=CC CNP0611428.0 [0,1,1,0,0,0|1,0,0]=3 183 B5R0.2 CC=CCC=O CNP0167409.0 [0,1,1,0,0,0|1,0,1]=4 184 B5R0.2 CCC=CC=O CNP0328747.0 [0,1,1,0,0,0|1,0,1]=4 185 B5R0.2 O=CC=CCO CNP0112016.0 [0,1,1,0,0,0|1,0,1]=4 186 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,1,1,0,0,0|1,0,0]=3 187 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,1,1,0,0,0|1,0,1]=4 188 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,1,1,0,0,0|1,0,1]=4 189 B5R0.3 C=C[S+]([O-])C=C CNP0547152.0 [0,1,1,0,0,0|1,0,0]=3 190 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,1,1,0,0,0|1,0,1]=4 191 B5R0.3 O=CC(=CO)O CNP0278717.0 [0,1,1,0,0,0|2,0,0]=4 192 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [0,1,0,0,0,1|1,0,0]=3 193 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [0,1,0,0,0,1|1,0,0]=3 194 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,1,0,0,0,1|1,0,0]=3 195 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [0,1,0,0,0,1|0,0,1]=3 196 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,1,0,0,0,1|1,0,0]=3 197 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [0,1,0,0,0,1|0,0,1]=3 198 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [0,1,0,0,0,1|0,0,1]=3 199 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [0,1,0,0,0,1|0,0,1]=3 200 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,1,0,0,0,1|1,0,0]=3 201 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [0,1,0,0,0,1|0,0,1]=3 202 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [0,1,0,0,0,1|1,0,0]=3 203 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [0,1,0,0,0,1|1,0,0]=3 204 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [0,1,0,0,0,1|0,0,1]=3 205 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [0,1,0,0,0,1|0,0,1]=3 206 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [0,1,0,0,0,1|1,0,0]=3 207 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [0,1,0,0,0,1|1,0,0]=3 208 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [0,1,0,0,0,1|0,0,1]=3 209 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [0,1,0,0,0,1|0,0,0]=2 210 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [0,1,0,0,0,1|0,0,0]=2 211 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [0,1,0,0,0,1|1,0,0]=3 212 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [0,1,0,0,0,1|0,0,1]=3 213 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [0,1,0,0,0,1|0,0,1]=3 214 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [0,1,0,0,0,1|0,0,1]=3 215 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [0,1,0,0,0,1|0,0,1]=3 216 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [0,1,0,0,0,1|0,0,1]=3 217 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [0,1,0,0,0,1|0,0,1]=3 218 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,1,0,0,0,1|1,0,0]=3 219 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [0,1,0,0,0,1|0,0,0]=2 220 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,1,0,0,0,1|1,0,0]=3 221 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [0,1,0,0,0,1|0,0,0]=2 222 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,1,0,0,0,1|1,0,1]=4 223 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,1,0,0,0,1|0,0,1]=3 224 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [0,1,0,0,0,1|0,0,0]=2 225 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [0,1,0,0,0,1|1,0,0]=3 226 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [0,1,0,0,0,1|0,0,0]=2 227 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,1,0,0,0,1|1,0,1]=4 228 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,1,0,0,0,1|1,0,1]=4 229 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,1,0,0,0,1|0,0,1]=3 230 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [0,1,0,0,0,1|1,0,0]=3 231 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [0,1,0,0,0,1|0,0,1]=3 232 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [0,1,0,0,0,1|0,0,1]=3 233 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [0,1,0,0,0,1|0,0,1]=3 234 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,1,0,0,0,1|0,0,2]=4 235 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [0,1,0,0,0,1|1,0,0]=3 236 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [0,1,0,0,0,1|0,0,1]=3 237 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [0,2,0,0,0,0|1,0,0]=3 238 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [0,2,0,0,0,0|1,0,0]=3 239 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [0,2,0,0,0,0|1,0,0]=3 240 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,2,0,0,0,0|1,0,0]=3 241 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,2,0,0,0,0|1,0,0]=3 242 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,2,0,0,0,0|1,0,0]=3 243 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,2,0,0,0,0|1,0,0]=3 244 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [0,2,0,0,0,0|1,0,1]=4 245 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [0,2,0,0,0,0|0,0,0]=2 246 B7R1.1 CCN1C=NN=C1 CNP0611862.0 [0,2,0,0,0,0|2,0,0]=4 247 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,2,0,0,0,0|0,0,0]=2 248 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,2,0,0,0,0|1,0,0]=3 249 B7R1.1 COC1=NC=CC1 CNP0549754.0 [0,2,0,0,0,0|0,0,2]=4 250 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,2,0,0,0,0|1,0,0]=3 251 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [0,2,0,0,0,0|0,0,0]=2 252 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [0,2,0,0,0,0|1,0,0]=3 253 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [0,2,0,0,0,0|1,0,0]=3 254 B7R1.1 N#CC1=NNC=C1 CNP0017944.0 [0,2,0,0,0,0|1,0,0]=3 255 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,2,0,0,0,0|0,0,0]=2 256 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,2,0,0,0,0|1,0,0]=3 257 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,2,0,0,0,0|1,0,0]=3 258 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,2,0,0,0,0|1,0,0]=3 259 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,2,0,0,0,0|1,0,0]=3 260 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [0,2,0,0,0,0|0,0,0]=2 261 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,2,0,0,0,0|1,0,0]=3 262 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,2,0,0,0,0|1,0,0]=3 263 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,2,0,0,0,0|1,0,0]=3 264 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,2,0,0,0,0|1,0,0]=3 265 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,2,0,0,0,0|1,0,0]=3 266 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [0,2,0,0,0,0|1,0,0]=3 267 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,2,0,0,0,0|1,0,0]=3 268 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,2,0,0,0,0|1,0,0]=3 269 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [0,2,0,0,0,0|1,0,0]=3 270 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [0,2,0,0,0,0|1,0,1]=4 271 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,2,0,0,0,0|1,0,1]=4 272 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,2,0,0,0,0|1,0,1]=4 273 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,2,0,0,0,0|1,0,1]=4 274 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,2,0,0,0,0|1,0,1]=4 275 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,2,0,0,0,0|0,0,0]=2 276 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,2,0,0,0,0|1,0,0]=3 277 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,2,0,0,0,0|1,0,0]=3 278 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,2,0,0,0,0|1,0,1]=4 279 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [0,2,0,0,0,0|1,0,0]=3 280 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [0,2,0,0,0,0|1,0,0]=3 281 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,2,0,0,0,0|1,0,1]=4 282 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [0,2,0,0,0,0|1,0,1]=4 283 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [0,2,0,0,0,0|1,0,0]=3 284 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [0,2,0,0,0,0|1,0,0]=3 285 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,2,0,0,0,0|1,0,0]=3 286 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,2,0,0,0,0|1,0,1]=4 287 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,2,0,0,0,0|1,0,0]=3 288 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [0,2,0,0,0,0|1,0,1]=4 289 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [0,2,0,0,0,0|1,0,0]=3 290 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,2,0,0,0,0|1,0,1]=4 291 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,2,0,0,0,0|1,0,1]=4 292 B7R1.2 N=C1C=C[C@H](N1)O CNP0200378.1 [0,2,0,0,0,0|0,0,1]=3 293 B7R1.2 NC1=CN(C=N1)P CNP0206398.0 [0,2,0,0,0,0|1,0,0]=3 294 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,2,0,0,0,0|1,0,1]=4 295 B7R1.2 NC1=NNC(=N1)N CNP0493649.0 [0,2,0,0,0,0|2,0,0]=4 296 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,2,0,0,0,0|1,0,1]=4 297 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,2,0,0,0,0|1,0,0]=3 298 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,2,0,0,0,0|0,0,0]=2 299 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,2,0,0,0,0|1,0,0]=3 300 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,2,0,0,0,0|1,0,1]=4 301 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,2,0,0,0,0|0,0,1]=3 302 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,2,0,0,0,0|0,0,2]=4 303 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,2,0,0,0,0|1,0,1]=4 304 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,2,0,0,0,0|1,0,1]=4 305 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,2,0,0,0,0|1,0,1]=4 306 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [0,2,0,0,0,0|0,0,2]=4 307 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [0,2,0,0,0,0|0,0,0]=2 308 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,2,0,0,0,0|1,0,0]=3 309 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,2,0,0,0,0|1,0,0]=3 310 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,2,0,0,0,0|1,0,0]=3 311 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,2,0,0,0,0|1,0,1]=4 312 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,2,0,0,0,0|1,0,0]=3 313 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [0,2,0,0,0,0|1,0,1]=4 314 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,2,0,0,0,0|1,0,1]=4 315 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,2,0,0,0,0|1,0,1]=4 316 B7R1.4 CC1=CN=CN1C CNP0283331.0 [0,2,0,0,0,0|1,0,0]=3 317 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,2,0,0,0,0|1,0,0]=3 318 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,2,0,0,0,0|1,0,0]=3 319 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,2,0,0,0,0|1,0,1]=4 320 B7R1.4 CN1C=CN=C1N CNP0308541.0 [0,2,0,0,0,0|1,0,0]=3 321 B7R1.4 CN1C=CN=C1S CNP0605467.0 [0,2,0,0,0,0|1,0,0]=3 322 B7R1.4 CN1C=CNC1=S CNP0156475.0 [0,2,0,0,0,0|1,0,0]=3 323 B7R1.4 CN1C=NC=C1Cl CNP0048393.0 [0,2,0,0,0,0|1,0,0]=3 324 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,2,0,0,0,0|0,0,1]=3 325 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,2,0,0,0,0|1,0,0]=3 326 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,2,0,0,0,0|1,0,1]=4 327 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,2,0,0,0,0|1,0,1]=4 328 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,2,0,0,0,0|1,0,0]=3 329 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [0,0,0,1,0,1|1,0,0]=3 330 B3R1.1 C1CN1 CNP0581365.0 [0,0,0,0,2,0|0,0,2]=4 331 B7R1.24 C1=CC=CCC=C1 CNP0339463.0 [0,0,0,0,0,2|1,0,0]=3 332 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [0,0,0,0,0,2|1,0,0]=3