0 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,0,0,0,0,0|2,1,1]=4 1 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,0,0,0,0,0|2,1,0]=3 2 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [0,0,0,0,0,0|0,0,0]=0 6 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,0,0,0,0,0|3,1,0]=4 7 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [0,0,0,0,0,0|2,1,0]=3 9 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,0,0,0,0,0|1,0,2]=4 16 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,0,0|1,1,0]=3 17 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,0,0|1,0,0]=2 18 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,0,0,0,0,0|0,0,0]=1 21 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 CNC1=NN=NS1 CNP0348858.0 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,0,0|1,0,1]=3 24 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,0,0,0,0,0|1,0,0]=2 26 B7R1.1 ClCC1=NN=CO1 CNP0028184.0 [1,0,0,0,0,0|2,1,0]=4 27 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [1,0,0,0,0,0|2,0,1]=4 28 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,0,0,0|2,1,0]=4 30 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,0,0,0|2,1,0]=4 32 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,1,0,0,0,0|1,1,0]=3 35 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,1,0,0,0,0|1,1,0]=3 36 B9R1.7 CCOC1C=CC(=O)N1 CNP0590383.0 [0,1,0,0,0,0|1,0,2]=4 37 B9R1.7 CCSC1=NN=C(S1)N CNP0027334.0 [0,1,0,0,0,0|1,1,0]=3 38 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,1,0,0,0,0|2,1,0]=4 40 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,1,0,0,0,0|1,0,0]=2 42 B9R1.11 CC[C@@H](C)C1=NC=CS1 CNP0384217.1 [0,1,0,0,0,0|1,0,0]=2 43 B9R1.11 CC[C@@H](C)C1=NCCS1 CNP0290095.1 [0,1,0,0,0,0|1,0,2]=4 44 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,1,0,0,0,0|2,1,0]=4 45 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,1,0,0,0,0|1,1,0]=3 47 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,1,0,0,0,0|1,2,0]=4 48 B9R1.13 CC(=O)NC1=NC=CS1 CNP0054817.0 [0,1,0,0,0,0|1,0,1]=3 49 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,1,0,0,0,0|1,1,1]=4 50 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.13 CC(C)CC1=NC=CS1 CNP0300517.0 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,0,1,0,0,0|3,0,0]=4 53 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,0,1,0,0,0|3,0,0]=4 54 B7R0.1 CC=CSSCCC CNP0421889.0 [0,0,1,0,0,0|3,0,0]=4 55 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,0,1,0,0,0|2,1,0]=4 56 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,0,1,0,0,0|2,1,0]=4 57 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,0,1,0,0,0|1,0,2]=4 58 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,0,1,0,0,0|1,0,2]=4 59 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,0,1,0,0,0|3,0,0]=4 60 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,0,1,0,0,0|1,1,0]=3 61 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [0,0,1,0,0,0|2,1,0]=4 62 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,0,1,0,0,0|1,1,1]=4 63 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,0,1,0,0,0|2,1,0]=4 64 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,0,1,0,0,0|2,1,0]=4 65 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,0,1,0,0,0|2,1,0]=4 66 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,0,0,0,0,1|2,0,1]=4 68 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [0,0,0,0,0,1|2,0,1]=4 69 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,0,0,0,0,1|3,0,0]=4 70 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,0,0,0,0,1|2,0,0]=3 71 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,0,0,0,0,1|2,0,0]=3 72 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [0,0,0,0,0,1|3,0,0]=4 73 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [0,0,0,0,0,1|2,0,0]=3 74 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,0,0,0,0,1|3,0,0]=4 75 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,0,0,0,0,1|2,0,0]=3 76 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,0,0,0,0,1|1,0,0]=2 77 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [0,0,0,0,0,1|2,1,0]=4 78 B9R1.8 CSSC1=NC=CC=N1 CNP0077866.0 [0,0,0,0,0,1|2,1,0]=4 79 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [0,0,0,0,0,1|3,0,0]=4 80 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,1,0,0,0|2,0,0]=4 81 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,1,0,0,0|2,0,0]=4 82 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,1,0,0,0|1,0,1]=4 83 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,1,0,0,0|1,0,1]=4 84 B6R0.6 CC=CSSCC CNP0418756.0 [1,0,1,0,0,0|1,1,0]=4 85 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,0,1,0,0,0|1,1,0]=4 86 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,1,0,0,0|1,1,0]=4 87 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,1,0,0,0|1,1,0]=4 88 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,0,1,0,0,0|0,1,0]=3 89 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,0,1,0,0,0|1,1,0]=4 90 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,0,1,0,0,0|1,1,0]=4 91 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [2,0,0,0,0,0|1,0,1]=4 92 B6R1.2 CC1=CC=CN1 CNP0003130.0 [2,0,0,0,0,0|1,0,1]=4 93 B6R1.2 CC1=CC=CO1 CNP0204821.0 [2,0,0,0,0,0|1,1,0]=4 94 B6R1.2 CC1=CC=CS1 CNP0308280.0 [2,0,0,0,0,0|1,0,0]=3 95 B6R1.2 CC1=CN=CS1 CNP0003129.0 [2,0,0,0,0,0|2,0,0]=4 96 B6R1.2 CC1=CNC=N1 CNP0484047.0 [2,0,0,0,0,0|2,0,0]=4 97 B6R1.2 CC1=CSC=N1 CNP0121199.0 [2,0,0,0,0,0|2,0,0]=4 98 B6R1.2 CC1=NC=CS1 CNP0611676.0 [2,0,0,0,0,0|0,0,0]=2 99 B6R1.2 CC1=NCCS1 CNP0225264.0 [2,0,0,0,0,0|0,0,2]=4 100 B6R1.2 CC1=NN=CO1 CNP0610339.0 [2,0,0,0,0,0|1,1,0]=4 101 B6R1.2 CC1CC=CS1 CNP0249135.0 [2,0,0,0,0,0|1,0,1]=4 102 B6R1.2 N=C1NC=CS1 CNP0292445.0 [2,0,0,0,0,0|1,0,1]=4 103 B6R1.2 NC1=NC=CN1 CNP0407827.0 [2,0,0,0,0,0|2,0,0]=4 104 B6R1.2 NC1=NC=CS1 CNP0515899.0 [2,0,0,0,0,0|1,0,0]=3 105 B6R1.2 OC1=CC=CO1 CNP0600093.0 [2,0,0,0,0,0|1,1,0]=4 106 B6R1.2 OC1=NNC=N1 CNP0175966.0 [2,0,0,0,0,0|2,0,0]=4 107 B6R1.2 SC1=CC=CS1 CNP0113015.0 [2,0,0,0,0,0|1,1,0]=4 108 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,1,1,0,0,0|1,1,0]=4 109 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [1,1,0,0,0,0|1,1,0]=4 110 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [1,1,0,0,0,0|1,0,0]=3 111 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [1,1,0,0,0,0|2,0,0]=4 114 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [1,1,0,0,0,0|1,0,0]=3 115 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [1,1,0,0,0,0|0,1,0]=3 116 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [1,1,0,0,0,0|0,0,0]=2 117 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [1,1,0,0,0,0|0,1,0]=3 118 B8R1.1 CCC1=NN=C(S1)N CNP0587490.0 [1,1,0,0,0,0|1,0,0]=3 119 B8R1.1 CCC1N=CC(S1)C CNP0612180.0 [1,1,0,0,0,0|0,0,2]=4 120 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [1,1,0,0,0,0|2,0,0]=4 121 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [1,1,0,0,0,0|1,1,0]=4 122 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,1,0,0,0,0|1,0,1]=4 123 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [1,1,0,0,0,0|0,1,1]=4 124 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [1,1,0,0,0,0|0,0,1]=3 125 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [1,1,0,0,0,0|1,1,0]=4 126 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [1,1,0,0,0,0|1,1,0]=4 127 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [1,1,0,0,0,0|1,1,0]=4 128 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [0,1,0,0,0,1|1,0,0]=3 134 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [0,1,0,0,0,1|1,0,0]=3 137 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.10 CCOC1=CN=CC(=N1)C CNP0002519.0 [0,1,0,0,0,1|1,0,0]=3 139 B10R1.10 CCSC1=NC(=O)C=CN1 CNP0293731.0 [0,1,0,0,0,1|1,1,0]=4 140 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,1,0,0,0,1|2,0,0]=4 145 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [0,1,0,0,0,1|1,0,0]=3 148 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,1,0,0,0,1|2,0,0]=4 149 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,1,0,0,0,1|1,0,1]=4 150 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,1,0,0,0,1|2,0,0]=4 151 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,1,0,0,0,1|2,0,0]=4 152 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,1,0,0,0,1|2,0,0]=4 153 B10R1.18 CC(C)NC1=NC=CC=N1 CNP0044861.0 [0,1,0,0,0,1|2,0,0]=4 154 B10R1.14 CCC(=O)C1=CC=C(S1)C CNP0030242.0 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.14 CCC(=O)C1=NC(=CS1)C CNP0322098.0 [0,2,0,0,0,0|1,0,0]=3 156 B10R1.16 CCCCC1=NC(=CS1)C CNP0002532.0 [0,2,0,0,0,0|1,0,0]=3 157 B10R1.96 CCCC1=NC(=CS1)CC CNP0006135.0 [0,2,0,0,0,0|1,0,0]=3 158 B10R1.131 CCCC1=NC(=C(O1)C)C CNP0002747.0 [0,2,0,0,0,0|1,1,0]=4 159 B10R1.131 CCCC1=NC(=C(S1)C)C CNP0002544.0 [0,2,0,0,0,0|1,0,0]=3 160 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [0,2,0,0,0,0|2,0,0]=4 161 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [0,2,0,0,0,0|1,0,1]=4 162 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [0,2,0,0,0,0|1,1,0]=4 163 B10R1.11 CCOC(=O)C1=NNC=C1 CNP0017794.0 [0,2,0,0,0,0|2,0,0]=4 164 B10R1.23 C[C@@H](O)[C@H](N)C1=NC=CS1 CNP0540575.1 [0,2,0,0,0,0|1,0,0]=3 165 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [0,2,0,0,0,0|2,0,0]=4 166 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [0,2,0,0,0,0|1,1,0]=4 167 B10R1.21 CCCCCC1=NC=CS1 CNP0002560.0 [0,2,0,0,0,0|1,0,0]=3 168 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,0,1,1,0,0|2,0,0]=4 169 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,0,1,1,0,0|2,0,0]=4 170 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,0,1,1,0,0|2,0,0]=4 171 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [0,0,0,1,0,1|2,0,0]=4 172 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [0,0,0,1,0,1|2,0,0]=4 173 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,0,0,1,0,1|2,0,0]=4