0 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,0,0,0|1,0,2]=3 4 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.4 CC1=CN=CN1C CNP0283331.0 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,0,0,0,0,0|0,0,0]=0 14 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.4 CN1C=CN=C1N CNP0308541.0 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.4 CN1C=CN=C1S CNP0605467.0 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.4 CN1C=CNC1=S CNP0156475.0 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.4 CN1C=NC=C1Cl CNP0048393.0 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,0,0,0,0,0|1,0,3]=4 22 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,0,0,0,0,0|4,0,0]=4 26 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,0,0|2,0,1]=4 27 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,0,0,0|1,0,2]=4 28 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,0,0|2,0,0]=3 29 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,0,0|2,0,0]=3 30 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,0,0|2,0,0]=3 31 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,0,0,0|1,0,2]=4 32 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,0,0,0|2,0,1]=4 33 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,0,0,0|0,1,2]=4 34 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,0,0,0|1,0,1]=3 35 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,0,0|2,0,0]=3 36 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,0,0|2,0,0]=3 37 B6R1.2 CC1=CN=NS1 CNP0149602.0 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,0,0|1,0,0]=2 39 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,0,0|2,0,0]=3 40 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,0,0|2,0,0]=3 41 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,0,0|0,1,0]=2 42 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,0,0,0|0,1,2]=4 43 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,0,0|0,0,0]=1 44 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,0,0|1,0,0]=2 45 B6R1.2 CC1=CSSC1 CNP0310441.0 [1,0,0,0,0,0|1,0,1]=3 46 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 CC1=NCSC1 CNP0134706.0 [1,0,0,0,0,0|1,0,2]=4 48 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,0,0,0|0,1,2]=4 50 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,0,0,0|1,0,2]=4 53 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,0,0,0|1,0,1]=3 54 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,0,0,0|1,0,1]=3 55 B6R1.2 IC1=CNN=C1 CNP0529767.0 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 NC1=CN=CN1 CNP0269270.0 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 NC1=COC=N1 CNP0572216.0 [1,0,0,0,0,0|2,1,0]=4 58 B6R1.2 NC1=NNC=C1 CNP0210263.0 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 NN1C=CC=C1 CNP0148646.0 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,0,0,0|2,0,1]=4 61 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,0,0,0|2,1,0]=4 65 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 OC1=CON=C1 CNP0302207.0 [1,0,0,0,0,0|2,1,0]=4 67 B6R1.2 S=C1C=CSS1 CNP0140042.0 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,0,0,0|1,0,2]=4 72 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,0,0,0|2,0,1]=4 75 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.11 NCC1=CON=C1O CNP0204327.0 [0,1,0,0,0,0|2,1,0]=4 79 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.18 CC1=C(SC(=N1)N)C CNP0252121.0 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,0,0,0|1,0,2]=4 85 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.18 CC1=C[C@@H](N=C1O)O CNP0545516.1 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.18 CC1=C[C@H](NC1=O)O CNP0240241.1 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.50 BrC1=CNC(=C1Br)Br CNP0184637.0 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,0,0,0|1,0,1]=3 97 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,0,0,0|2,0,1]=4 100 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,0,0,0|1,0,2]=4 102 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,0,0,0|0,0,3]=4 106 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.50 O=C1SSC(=C1Cl)Cl CNP0003125.0 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.50 OC1=COC(=C1O)O CNP0555359.0 [0,1,0,0,0,0|2,1,0]=4 109 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,0,1,0,0,0|1,0,1]=3 110 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,0,1,0,0,0|2,0,1]=4 111 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,1,0,0,0|0,0,2]=3 112 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,1,0,0,0|1,0,1]=3 113 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,0,1,0,0,0|3,0,0]=4 115 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,0,1,0,0,0|1,0,2]=4 116 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,0,1,0,0,0|3,0,0]=4 117 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,0,1,0,0,0|2,1,0]=4 118 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,1,0,0,0|2,0,0]=3 119 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,0,1,0,0,0|3,0,0]=4 120 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,0,1,0,0,0|3,0,0]=4 121 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,0,1,0,0,0|1,0,2]=4 122 B6R0.6 C=CC#CC=CC CNP0360102.0 [0,0,1,0,0,0|1,0,2]=4 123 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,0,1,0,0,0|1,0,1]=3 124 B6R0.6 C=CCCC=CC CNP0426808.0 [0,0,1,0,0,0|1,0,2]=4 125 B6R0.6 CC#CSC=CC CNP0514607.0 [0,0,1,0,0,0|0,0,2]=3 126 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,0,1,0,0,0|2,0,0]=3 127 B6R0.6 CC=CC=CCC CNP0608489.0 [0,0,1,0,0,0|1,0,1]=3 128 B6R0.6 CC=CC=CCO CNP0292375.0 [0,0,1,0,0,0|2,0,1]=4 129 B6R0.6 CC=CCCC=O CNP0056069.0 [0,0,1,0,0,0|2,0,1]=4 130 B6R0.6 CC=CCCCC CNP0158475.0 [0,0,1,0,0,0|1,0,2]=4 131 B6R0.6 CC=CCSCC CNP0575773.0 [0,0,1,0,0,0|2,0,1]=4 132 B6R0.6 CC=COC=CC CNP0612224.0 [0,0,1,0,0,0|0,1,0]=2 133 B6R0.6 CC=CSC=CC CNP0002507.0 [0,0,1,0,0,0|0,0,0]=1 134 B6R0.6 CC=CSCCC CNP0320861.0 [0,0,1,0,0,0|0,0,2]=3 135 B6R0.6 CC=CSSCC CNP0418756.0 [0,0,1,0,0,0|1,0,1]=3 136 B6R0.6 CC=CSSSC CNP0265306.0 [0,0,1,0,0,0|2,0,0]=3 137 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,0,1,0,0,0|2,0,1]=4 138 B6R0.6 CCC=C=CCC CNP0518397.0 [0,0,1,0,0,0|1,0,2]=4 139 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,0,1,0|0,0,3]=4 140 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [0,0,0,0,0,1|3,0,0]=4 141 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [0,0,0,0,0,1|3,0,0]=4 142 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,0,0,0,0,1|3,0,0]=4 143 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,0,0,0,0,1|3,0,0]=4 144 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [0,0,0,0,0,1|2,0,0]=3 145 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,0,0,0,0,1|1,0,0]=2 146 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [0,0,0,0,0,1|2,0,0]=3 147 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [0,0,0,0,0,1|2,0,0]=3 148 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,0,0,0,0,1|2,0,0]=3 149 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [0,0,0,0,0,1|2,0,0]=3 150 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,0,0,0,0,1|1,0,0]=2 151 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [0,0,0,0,0,1|2,0,0]=3 152 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [0,0,0,0,0,1|3,0,0]=4 153 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,0,0,0,0,1|2,0,0]=3 154 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [0,0,0,0,0,1|3,0,0]=4 155 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [0,0,0,0,0,1|3,0,0]=4 156 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,0,0,0,0,1|3,0,0]=4 157 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [0,0,0,0,0,1|3,0,0]=4 158 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,0,0,1|1,0,1]=3 159 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,0,0,1|2,0,1]=4 160 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,0,0,1|1,0,2]=4 161 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,0,0,0,0,1|1,0,0]=2 162 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [0,0,0,0,0,1|2,0,0]=3 163 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [0,0,0,0,0,1|1,0,0]=2 164 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,0,0,0,0,1|1,0,1]=3 165 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [0,0,0,0,0,1|3,0,0]=4 166 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [0,0,0,0,0,1|3,0,0]=4 167 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [0,0,0,0,0,1|3,0,0]=4 168 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [0,0,0,0,0,1|3,0,0]=4 169 B8R1.4 NC1=CN=CC(=N1)Cl CNP0482214.0 [0,0,0,0,0,1|3,0,0]=4 170 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [0,0,0,0,0,1|3,0,0]=4 171 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [0,0,0,0,0,1|3,0,0]=4 172 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [0,0,0,0,0,1|3,0,0]=4 173 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [0,0,0,0,0,1|1,0,1]=3 174 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,0,0,0,0,1|1,0,1]=3 175 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [0,0,0,0,0,1|2,0,0]=3 176 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [0,0,0,0,0,1|1,0,0]=2 177 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [0,0,0,0,0,1|2,0,0]=3 178 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [0,0,0,0,0,1|2,0,0]=3 179 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,0,0,0,0,1|2,0,0]=3 180 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [0,0,0,0,0,1|2,0,0]=3 181 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [0,0,0,0,0,1|2,0,0]=3 182 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [0,0,0,0,0,1|3,0,0]=4 183 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [0,0,0,0,0,1|1,0,0]=2 184 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [0,0,0,0,0,1|2,0,0]=3 185 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [0,0,0,0,0,1|2,0,0]=3 186 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [0,0,0,0,0,1|1,0,0]=2 187 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [0,0,0,0,0,1|2,0,0]=3 188 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [0,0,0,0,0,1|3,0,0]=4 189 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,0,0,0,0,1|2,0,0]=3 190 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [0,0,0,0,0,1|2,0,0]=3 191 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [0,0,0,0,0,1|3,0,0]=4 192 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [0,0,0,0,0,1|3,0,0]=4 193 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [0,0,0,0,0,1|3,0,0]=4 194 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [0,0,0,0,0,1|3,0,0]=4 195 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [0,0,0,0,0,1|3,0,0]=4 196 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [0,0,0,0,0,1|3,0,0]=4 197 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [0,0,0,0,0,1|3,0,0]=4 198 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [0,0,0,0,0,1|3,0,0]=4 199 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,0,0,0,0,1|3,0,0]=4 201 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [0,0,0,0,0,1|2,1,0]=4 203 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [0,0,0,0,0,1|3,0,0]=4 204 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,0,0,0,0,1|3,0,0]=4 205 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [0,0,0,0,0,1|3,0,0]=4 206 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [0,0,0,0,0,1|3,0,0]=4 207 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [0,0,0,0,0,1|3,0,0]=4 208 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [0,0,0,0,0,1|3,0,0]=4 209 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [0,0,0,0,0,1|3,0,0]=4 210 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [0,0,0,0,0,1|3,0,0]=4 211 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [0,0,0,0,0,1|3,0,0]=4 212 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [0,0,0,0,0,1|1,0,1]=3 213 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,1,0,0,0|1,0,0]=3 214 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,1,0,0,0|1,0,0]=3 215 B5R0.1 CC(=CC#N)C CNP0294715.0 [1,0,1,0,0,0|2,0,0]=4 216 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,1,0,0,0|0,1,1]=4 217 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,1,0,0,0|2,0,0]=4 218 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,1,0,0,0|0,0,2]=4 219 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,1,0,0,0|2,0,0]=4 220 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,1,0,0,0|1,0,1]=4 221 B5R0.2 C=CC=CC=C CNP0612137.0 [1,0,1,0,0,0|0,0,2]=4 222 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,1,0,0,0|1,0,1]=4 223 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,1,0,0,0|0,0,2]=4 224 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,1,0,0,0|1,0,0]=3 225 B5R0.2 C=CSSCC CNP0003136.0 [1,0,1,0,0,0|1,0,1]=4 226 B5R0.2 CC=C=COC CNP0519318.0 [1,0,1,0,0,0|1,0,1]=4 227 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,1,0,0,0|0,0,0]=2 228 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,1,0,0,0|1,0,1]=4 229 B5R0.2 CC=CCCC CNP0419577.0 [1,0,1,0,0,0|0,0,2]=4 230 B5R0.2 CC=CSSC CNP0214071.0 [1,0,1,0,0,0|1,0,0]=3 231 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,1,0,0,0|1,0,1]=4 232 B5R0.2 CCC=CSC CNP0068372.0 [1,0,1,0,0,0|0,0,2]=4 233 B5R0.2 CCC=CSO CNP0458289.0 [1,0,1,0,0,0|1,0,1]=4 234 B5R0.2 COC=COC CNP0416791.0 [1,0,1,0,0,0|2,0,0]=4 235 B5R0.2 CSC=CSC CNP0075985.0 [1,0,1,0,0,0|1,0,1]=4 236 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,1,0,0,0|0,0,0]=2 237 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,1,0,0,0|1,0,1]=4 238 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,1,0,0,0|2,0,0]=4 239 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,1,0,0,0|0,1,0]=3 240 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,1,0,0,0|0,0,2]=4 241 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,1,0,0,0|0,1,1]=4 242 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,1,0,0,0|0,0,1]=3 243 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,0,1,0,0,0|0,0,0]=2 244 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,0,1,0,0,0|0,1,0]=3 245 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,0,1,0,0,0|1,1,0]=4 246 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,0,1,0,0,0|1,1,0]=4 247 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,0,1,0,0,0|1,1,0]=4 248 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,0,1,0,0,0|0,1,1]=4 249 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,0,1,0,0,0|0,1,1]=4 250 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,0,1,0,0,0|0,0,2]=4 251 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,0,1,0,0,0|0,1,1]=4 252 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,0,1,0,0,0|1,1,0]=4 253 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,0,1,0,0,0|1,0,1]=4 254 B5R1.1 C1=CCC=C1 CNP0588646.0 [2,0,0,0,0,0|1,0,0]=3 255 B5R1.1 C1=CNC=C1 CNP0578490.0 [2,0,0,0,0,0|1,0,0]=3 256 B5R1.1 C1=CNC=N1 CNP0593616.0 [2,0,0,0,0,0|2,0,0]=4 257 B5R1.1 C1=CNN=C1 CNP0583187.0 [2,0,0,0,0,0|2,0,0]=4 258 B5R1.1 C1=COC=C1 CNP0601420.0 [2,0,0,0,0,0|0,1,0]=3 259 B5R1.1 C1=CON=C1 CNP0611744.0 [2,0,0,0,0,0|1,1,0]=4 260 B5R1.1 C1=CSC=C1 CNP0604134.0 [2,0,0,0,0,0|0,0,0]=2 261 B5R1.1 C1=CSC=N1 CNP0495876.0 [2,0,0,0,0,0|1,0,0]=3 262 B5R1.1 C1=CSCC1 CNP0496655.0 [2,0,0,0,0,0|0,0,2]=4 263 B5R1.1 C1=CSCS1 CNP0479150.0 [2,0,0,0,0,0|1,0,1]=4 264 B5R1.1 C1=CSSC1 CNP0490976.0 [2,0,0,0,0,0|1,0,1]=4 265 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [2,0,0,0,0,0|2,0,0]=4 266 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,1,1,0,0,0|1,0,1]=4 267 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,1,1,0,0,0|2,0,0]=4 268 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,1,0,0,0|1,0,1]=4 269 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,1,0,0,0|2,0,0]=4 270 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,1,1,0,0,0|1,0,1]=4 271 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,1,0,0,0|1,0,1]=4 272 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,1,1,0,0,0|0,1,1]=4 273 B7R0.13 C=CC(C)(C)C(=C)C CNP0086467.0 [0,1,1,0,0,0|1,0,1]=4 274 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,1,1,0,0,0|0,1,1]=4 275 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,1,1,0,0,0|1,0,1]=4 276 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,1,1,0,0,0|1,0,1]=4 277 B7R0.1 C=CCSSC=CC CNP0226902.0 [0,1,1,0,0,0|0,0,2]=4 278 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,1,1,0,0,0|1,0,0]=3 279 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,1,1,0,0,0|1,0,1]=4 280 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,1,1,0,0,0|1,0,0]=3 281 B7R0.1 CC=CCCC=CC CNP0082120.0 [0,1,1,0,0,0|1,0,0]=3 282 B7R0.1 CC=CCSCCC CNP0536250.0 [0,1,1,0,0,0|0,0,2]=4 283 B7R0.1 CC=CSSC=CC CNP0204440.0 [0,1,1,0,0,0|0,0,0]=2 284 B7R0.1 CC=CSSCCC CNP0421889.0 [0,1,1,0,0,0|0,0,2]=4 285 B7R0.1 CC=CSSSSC CNP0003491.0 [0,1,1,0,0,0|2,0,0]=4 286 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,1,1,0,0,0|2,0,0]=4 287 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,1,1,0,0,0|1,0,1]=4 288 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,1,1,0,0,0|1,0,1]=4 289 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,1,1,0,0,0|2,0,0]=4 290 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,1,1,0,0,0|1,0,0]=3 291 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,1,1,0,0,0|1,0,1]=4 292 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,1,1,0,0,0|1,0,0]=3 293 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,1,1,0,0,0|2,0,0]=4 294 B7R0.4 CC=CSSC(C)C CNP0589450.0 [0,1,1,0,0,0|1,0,1]=4 295 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,1,0,0,0,0|2,0,0]=4 296 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,1,0,0,0,0|2,0,0]=4 297 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,1,0,0,0,0|0,1,0]=3 298 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,1,0,0,0,0|0,0,0]=2 299 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,1,0,0,0,0|2,0,0]=4 300 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,1,0,0,0,0|2,0,0]=4 301 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,1,0,0,0,0|0,1,0]=3 302 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,1,0,0,0,0|0,0,0]=2 303 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [1,1,0,0,0,0|0,1,1]=4 304 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [1,1,0,0,0,0|0,0,1]=3 305 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,1,0,0,0,0|2,0,0]=4 306 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,1,0,0,0,0|2,0,0]=4 307 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,1,0,0,0,0|0,1,0]=3 308 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,1,0,0,0,0|0,0,0]=2 309 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,1,0,0,0,0|2,0,0]=4 310 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,1,0,0,0,0|2,0,0]=4 311 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [1,1,0,0,0,0|1,1,0]=4 312 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [1,1,0,0,0,0|1,0,0]=3 313 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [1,1,0,0,0,0|2,0,0]=4 314 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,1,0,0,0,0|1,0,1]=4 315 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,1,0,0,0,0|2,0,0]=4 316 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,1,0,0,0,0|0,1,1]=4 317 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [1,1,0,0,0,0|1,0,1]=4 318 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,1,0,0,0,0|2,0,0]=4 319 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,1,0,0,0,0|2,0,0]=4 320 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,1,0,0,0,0|2,0,0]=4 321 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,1,0,0,0,0|2,0,0]=4 322 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [1,1,0,0,0,0|2,0,0]=4 323 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [1,1,0,0,0,0|2,0,0]=4 324 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [1,1,0,0,0,0|2,0,0]=4 325 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [1,1,0,0,0,0|2,0,0]=4 328 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,1,0,0,0,0|0,1,0]=3 329 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [1,1,0,0,0,0|1,1,0]=4 330 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [1,1,0,0,0,0|0,0,0]=2 331 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [1,1,0,0,0,0|1,0,0]=3 332 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [1,1,0,0,0,0|2,0,0]=4 333 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [1,1,0,0,0,0|1,1,0]=4 334 B7R1.2 C[N+]1=NSC(=C1)Cl CNP0555762.0 [1,1,0,0,0,0|2,0,0]=4 335 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,1,0,0,1,0|2,0,0]=4 336 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [0,1,0,0,0,1|1,0,1]=4 337 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [0,1,0,0,0,1|1,0,1]=4 338 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [0,1,0,0,0,1|1,0,1]=4 339 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,1,0,0,0,1|1,0,0]=3 340 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [0,1,0,0,0,1|1,0,1]=4 341 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [0,1,0,0,0,1|2,0,0]=4 342 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,0,0,1|2,0,0]=4 343 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,0,0,1|1,0,0]=3 344 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,1,0,0,0,1|2,0,0]=4 345 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,0,0,1|1,0,0]=3 346 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,1,0,0,0,1|2,0,0]=4 347 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,1,0,0,0,1|1,0,0]=3 348 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [0,1,0,0,0,1|1,0,0]=3 349 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,1,0,0,0,1|1,0,0]=3 350 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [0,1,0,0,0,1|2,0,0]=4 351 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [0,1,0,0,0,1|2,0,0]=4 352 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [0,1,0,0,0,1|2,0,0]=4 353 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [0,1,0,0,0,1|1,0,0]=3 354 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [0,1,0,0,0,1|1,0,0]=3 355 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [0,1,0,0,0,1|2,0,0]=4 356 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [0,1,0,0,0,1|2,0,0]=4 357 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [0,1,0,0,0,1|2,0,0]=4 358 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [0,1,0,0,0,1|1,0,1]=4 359 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,1,0,0,0,1|1,0,0]=3 360 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [0,1,0,0,0,1|2,0,0]=4 361 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,1,0,0,0,1|2,0,0]=4 362 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,1,0,0,0,1|1,0,0]=3 363 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,1,0,0,0,1|1,0,0]=3 365 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,1,0,0,0,1|2,0,0]=4 366 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,1,0,0,0,1|1,0,0]=3 367 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [0,1,0,0,0,1|1,0,0]=3 370 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [0,1,0,0,0,1|1,0,0]=3 371 B9R1.34 CC1=CC(=CC(=C1)Br)N CNP0191453.0 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [0,1,0,0,0,1|1,0,0]=3 373 B9R1.34 CC1=CC(=CC(=C1)Cl)Cl CNP0135847.0 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [0,1,0,0,0,1|1,0,0]=3 375 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [0,1,0,0,0,1|1,0,0]=3 376 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [0,1,0,0,0,1|1,0,0]=3 377 B9R1.34 CC1=CC(=CC(=C1)O)O CNP0300146.0 [0,1,0,0,0,1|2,0,0]=4 378 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [0,1,0,0,0,1|1,0,0]=3 379 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.34 CC1=CC(=NC(=C1)C)C CNP0261026.0 [0,1,0,0,0,1|1,0,0]=3 381 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [0,1,0,0,0,1|1,0,0]=3 384 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,1,0,0,0,1|1,0,0]=3 398 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,1,0,0,0,1|1,0,0]=3 399 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,1,0,0,0,1|1,0,0]=3 400 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,1,0,0,0,1|1,0,0]=3 401 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,1,0,0,0,1|1,0,0]=3 402 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,1,0,0,0,1|1,0,0]=3 415 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,1,0,0,0,1|1,0,0]=3 416 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.69 CC1=CCC(=O)[C@H](C1)C CNP0328483.1 [0,1,0,0,0,1|1,0,1]=4 422 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [0,1,0,0,0,1|1,0,0]=3 423 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [0,1,0,0,0,1|1,0,0]=3 425 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [0,1,0,0,0,1|1,0,1]=4 427 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [0,1,0,0,0,1|1,0,1]=4 428 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [0,1,0,0,0,1|1,0,1]=4 429 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,1,0,0,0,1|1,0,0]=3 430 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,1,0,0,0,1|1,0,0]=3 431 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,1,0,0,0,1|1,0,0]=3 434 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,1,0,0,0,1|1,0,0]=3 436 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,1,0,0,0,1|1,0,0]=3 440 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,1,0,0,0,1|1,0,0]=3 444 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [0,1,0,0,0,1|1,1,0]=4 450 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [0,1,0,0,0,1|2,0,0]=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|2,0,0]=4 458 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [0,1,0,0,0,1|1,0,1]=4 460 B9R1.14 CCC1=CSC=C1CC CNP0002506.0 [0,2,0,0,0,0|0,0,0]=2 461 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.24 CCC1=CC=CC1(C)C CNP0109712.0 [0,2,0,0,0,0|1,0,1]=4 463 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [0,2,0,0,0,0|1,0,1]=4 464 B9R1.27 CC1=C(C(=O)OC1)CO CNP0215537.0 [0,2,0,0,0,0|0,1,1]=4 465 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,2,0,0,0,0|1,0,1]=4 466 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [0,2,0,0,0,0|0,0,0]=2 467 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,2,0,0,0,0|1,0,1]=4 468 B9R1.33 CN1C=NC=C1CCN CNP0407447.0 [0,2,0,0,0,0|2,0,0]=4 469 B9R1.33 CSSC1=C(OC=C1)C CNP0370281.0 [0,2,0,0,0,0|2,0,0]=4 470 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,2,0,0,0,0|2,0,0]=4 472 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,2,0,0,0,0|1,0,0]=3 474 B9R1.132 CC1=C(OC=C1O)C=O CNP0517113.0 [0,2,0,0,0,0|1,1,0]=4 475 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,2,0,0,0,0|0,0,0]=2 476 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,2,0,0,0,0|0,0,0]=2 477 B9R1.37 BrC1=C(C(=C(S1)Br)Br)Br CNP0438359.0 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.37 C=C1CC(=C(C1=O)C)C CNP0259066.0 [0,2,0,0,0,0|1,0,1]=4 479 B9R1.37 CC1=C(C(=C(N1)C)C)C CNP0159162.0 [0,2,0,0,0,0|1,0,0]=3 480 B9R1.37 CC1=C(C(=O)OC1=O)C CNP0306912.0 [0,2,0,0,0,0|0,1,0]=3 481 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,2,0,0,0,0|1,0,1]=4 482 B9R1.37 CC1=C(C(=O)[C@H](C1)O)C CNP0357100.1 [0,2,0,0,0,0|1,0,1]=4 483 B9R1.37 CC1=C([C@@H](OC1=O)O)C CNP0280775.2 [0,2,0,0,0,0|0,1,1]=4 484 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,2,0,0,0,0|0,1,1]=4 485 B9R1.37 CC1=C([C@H](OC1=O)O)C CNP0280775.1 [0,2,0,0,0,0|0,1,1]=4 486 B9R1.138 CC1=C(C(C=C1)(C)C)C CNP0350269.0 [0,2,0,0,0,0|1,0,1]=4 487 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,0,1,1,0,0|1,0,1]=4 488 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,1,1,0,0|1,0,1]=4 489 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [0,0,1,1,0,0|1,0,1]=4 490 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,1,1,0,0|1,0,1]=4 491 B7R1.6 C=CC=C1C=CC1 CNP0487759.0 [0,0,1,1,0,0|1,0,1]=4 492 B7R1.24 C1=CC=CCC=C1 CNP0339463.0 [0,0,1,1,0,0|1,0,1]=4 493 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [0,0,1,1,0,0|1,0,1]=4 494 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [1,0,0,1,0,0|0,1,0]=3 495 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,0,0,1,0,1|1,0,0]=3 496 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [0,0,0,1,0,1|1,0,1]=4 497 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [0,0,0,0,2,0|0,0,2]=4 498 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,0,0,0,0,2|1,0,0]=3