0 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,0,0,0,0,0|0,0,0]=0 9 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,0,0,0,0,0|1,0,0]=1 10 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,0,0,0,0,0|1,0,0]=1 11 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [0,0,0,0,0,0|1,0,0]=1 14 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [0,0,0,0,0,0|1,0,1]=2 17 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,0,0,0,0,0|1,0,1]=2 20 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [0,0,0,0,0,0|1,0,1]=2 22 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,0,0,0,0,0|1,0,3]=4 23 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,0,0,0,0,0|1,0,3]=4 24 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,0,0,0,0,0|1,0,3]=4 25 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,0,0,0,0,0|1,0,2]=3 26 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [0,0,0,0,0,0|1,0,1]=2 27 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.2 CC1=NN=C(S1)N CNP0022824.0 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.2 CC1=NN=C(S1)S CNP0444982.0 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,0,0,0,0,0|1,0,2]=3 33 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.2 N=C1C=C[C@H](N1)O CNP0200378.1 [0,0,0,0,0,0|2,0,1]=3 36 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,0,0,0,0,0|2,0,1]=3 41 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,0,0,0,0,0|3,0,1]=4 44 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [0,0,0,0,0,0|2,0,2]=4 46 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,0,0|0,0,2]=3 47 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,0,0,0|1,0,2]=4 48 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,0,0|0,0,0]=1 49 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,0,0|1,0,0]=2 50 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,0,0|1,0,0]=2 51 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,0,0,0|1,0,2]=4 52 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,0,0,0|1,0,2]=4 53 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,0,0,0|2,0,1]=4 54 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,0,0,0|2,0,1]=4 55 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,0,0|1,0,0]=2 56 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,0,0|2,0,0]=3 57 B6R1.2 CC1=CN=NS1 CNP0149602.0 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,0,0|1,0,1]=3 60 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,0,0,0|2,0,1]=4 63 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,0,0|2,0,0]=3 64 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,0,0|1,0,1]=3 65 B6R1.2 CC1=CSSC1 CNP0310441.0 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,0,0|1,0,1]=3 67 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,0,0|2,0,1]=4 68 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,0,0,0|2,0,1]=4 69 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,0,0,0|1,0,2]=4 70 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,0,0|2,0,0]=3 71 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 CN1CC=CC1 CNP0257888.0 [1,0,0,0,0,0|2,0,1]=4 73 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,0,0,0|2,0,1]=4 74 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,0,0,0|2,0,1]=4 75 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,0,0,0|2,0,1]=4 76 B6R1.2 N=C1NC=CN1 CNP0546499.0 [1,0,0,0,0,0|2,0,0]=3 77 B6R1.2 N=C1NC=CS1 CNP0292445.0 [1,0,0,0,0,0|2,0,0]=3 78 B6R1.2 NC1=CN=CN1 CNP0269270.0 [1,0,0,0,0,0|2,0,0]=3 79 B6R1.2 NC1=COC=N1 CNP0572216.0 [1,0,0,0,0,0|2,0,1]=4 80 B6R1.2 NC1=NC=CN1 CNP0407827.0 [1,0,0,0,0,0|2,0,0]=3 81 B6R1.2 NC1=NC=CS1 CNP0515899.0 [1,0,0,0,0,0|2,0,1]=4 82 B6R1.2 NC1=NC=NN1 CNP0407759.0 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 NC1=NNC=C1 CNP0210263.0 [1,0,0,0,0,0|2,0,1]=4 84 B6R1.2 NN1C=CC=C1 CNP0148646.0 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,0,0,0|2,0,1]=4 86 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,0,0,0|2,0,1]=4 87 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,0,0|2,0,1]=4 88 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,0,0,0|2,0,1]=4 91 B6R1.2 O=C1CN=CN1 CNP0321519.0 [1,0,0,0,0,0|2,0,1]=4 92 B6R1.2 O=C1OC=CO1 CNP0585701.0 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,0,0|2,0,0]=3 94 B6R1.2 S=C1C=CSS1 CNP0140042.0 [1,0,0,0,0,0|3,0,0]=4 95 B6R1.2 S=S1NC=CO1 CNP0538348.0 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,0,0|2,0,0]=3 97 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,1,0,0,0,0|0,0,1]=2 99 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,0,0,0|1,0,1]=3 100 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,1,0,0,0,0|1,0,0]=2 101 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,1,0,0,0,0|1,0,1]=3 103 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,0,0,0|1,0,2]=4 104 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,1,0,0,0,0|1,0,1]=3 111 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,1,0,0,0,0|1,0,1]=3 112 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,1,0,0,0,0|1,0,1]=3 113 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,1,0,0,0,0|1,0,1]=3 114 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,1,0,0,0,0|1,0,1]=3 115 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,0,0,0|2,0,1]=4 117 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.1 O=C1C=CC(=N1)NO CNP0612038.0 [0,1,0,0,0,0|2,0,1]=4 122 B8R1.1 O=C1C=CC(=NO)N1 CNP0272476.0 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,1,0,0,0,0|2,0,1]=4 124 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [0,1,0,0,0,0|2,0,1]=4 125 B8R1.1 O=NC1=CC=C(N1)O CNP0611370.0 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.18 BrC1=CC(=C(N1)Br)Br CNP0425193.0 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.18 BrC1=NC(=C(N1)Br)Br CNP0018157.0 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.18 CC1=C(N=C(S1)N)S CNP0440681.0 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.18 CC1=C(SC(=N1)N)C CNP0252121.0 [0,1,0,0,0,0|2,0,1]=4 130 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,1,0,0,0,0|0,0,0]=1 131 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,0,0,0|1,0,0]=2 133 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.18 CC1=CC(=O)N[C@@H]1O CNP0160164.1 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.18 CC1=C[C@H](NC1=O)O CNP0240241.1 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,1,0,0,0,0|1,0,1]=3 141 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [0,1,0,0,0,0|1,0,1]=3 142 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,1,0,0,0,0|2,0,1]=4 146 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [0,1,0,0,0,0|2,0,1]=4 147 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,1,0,0,0,0|2,0,1]=4 148 B8R1.18 O=C1C=C(C(=O)N1)Br CNP0104393.0 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.18 O=C1N=C(C=C1Br)O CNP0598689.0 [0,1,0,0,0,0|2,0,1]=4 150 B8R1.18 O=C1NC(=O)C(=O)N1 CNP0516819.0 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,0,0,0|1,0,1]=3 152 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,0,0,0|1,0,2]=4 153 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,0,0,0|1,0,2]=4 154 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,1,0,0,0,0|2,0,1]=4 156 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,0,1,0,0,0|2,0,1]=4 158 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,0,1,0,0,0|2,0,1]=4 159 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,0,1,0,0,0|1,0,1]=3 160 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,1,0,0,0|2,0,1]=4 161 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,1,0,0,0|1,0,1]=3 162 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,0,1,0,0,0|2,0,1]=4 163 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,0,1,0,0,0|2,0,1]=4 164 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,1,0,0,0|2,0,0]=3 165 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,1,0,0,0|2,0,1]=4 166 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,1,0,0,0|3,0,0]=4 167 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,1,0,0,0|2,0,1]=4 168 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,0,1,0,0,0|3,0,0]=4 169 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,1,0,0,0|3,0,0]=4 170 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,0,1,0,0,0|3,0,0]=4 171 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,0,1,0,0,0|2,0,0]=3 172 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,0,1,0,0,0|3,0,0]=4 173 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [0,0,1,0,0,0|3,0,0]=4 174 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,1,0,0,0|3,0,0]=4 175 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,0,1,0,0,0|3,0,0]=4 176 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,0,1,0,0,0|3,0,0]=4 177 B6R0.4 C/C=C/S[S@@+](C)[O-] CNP0519070.2 [0,0,1,0,0,0|3,0,0]=4 178 B6R0.4 C/C=C/S[S@@H+](C)[O-] CNP0550380.1 [0,0,1,0,0,0|3,0,0]=4 179 B6R0.4 C/C=C\S[S@@+](C)[O-] CNP0519070.1 [0,0,1,0,0,0|3,0,0]=4 180 B6R0.4 C/C=C\S[S@@H+](C)[O-] CNP0550380.2 [0,0,1,0,0,0|3,0,0]=4 181 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [0,0,1,0,0,0|2,0,1]=4 182 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,0,1,0,0,0|2,0,1]=4 183 B6R0.4 CC(C)C=CC=O CNP0003528.0 [0,0,1,0,0,0|2,0,1]=4 184 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,0,1,0,0,0|1,0,0]=2 185 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,0,1,0,0,0|2,0,1]=4 186 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,0,1,0,0,0|1,0,2]=4 187 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,0,1,0,0,0|1,0,2]=4 188 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,0,1,0,0,0|1,0,1]=3 189 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,0,1,0,0,0|2,0,1]=4 190 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,0,1,0,0,0|1,0,2]=4 191 B6R0.4 COCC=C(C)C CNP0493784.0 [0,0,1,0,0,0|2,0,1]=4 192 B6R0.4 CSC=CC(=O)N CNP0140289.0 [0,0,1,0,0,0|2,0,0]=3 193 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,0,1,0,0,0|3,0,0]=4 194 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [0,0,0,1,0,0|1,0,2]=4 195 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [0,0,0,0,0,1|3,0,0]=4 196 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [0,0,0,0,0,1|2,0,1]=4 197 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [0,0,0,0,0,1|2,0,0]=3 198 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [0,0,0,0,0,1|1,0,0]=2 199 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [0,0,0,0,0,1|2,0,0]=3 200 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [0,0,0,0,0,1|2,0,0]=3 201 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [0,0,0,0,0,1|2,0,0]=3 202 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [0,0,0,0,0,1|2,0,0]=3 203 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [0,0,0,0,0,1|1,0,1]=3 204 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [0,0,0,0,0,1|1,0,1]=3 205 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [0,0,0,0,0,1|0,0,1]=2 206 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [0,0,0,0,0,1|1,0,1]=3 207 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [0,0,0,0,0,1|1,0,1]=3 208 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [0,0,0,0,0,1|1,0,1]=3 209 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,0,0,1|2,0,1]=4 210 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [0,0,0,0,0,1|1,0,1]=3 211 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [0,0,0,0,0,1|1,0,0]=2 212 B8R1.3 CC1=NCC(=NC1)C CNP0608420.0 [0,0,0,0,0,1|1,0,2]=4 213 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [0,0,0,0,0,1|3,0,0]=4 214 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [0,0,0,0,0,1|3,0,0]=4 215 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [0,0,0,0,0,1|3,0,0]=4 216 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [0,0,0,0,0,1|3,0,0]=4 217 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [0,0,0,0,0,1|3,0,0]=4 218 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [0,0,0,0,0,1|3,0,0]=4 219 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [0,0,0,0,0,1|2,0,1]=4 220 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [0,0,0,0,0,1|2,0,1]=4 221 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [0,0,0,0,0,1|2,0,1]=4 222 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [0,0,0,0,0,1|2,0,0]=3 223 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,0,0,0,0,1|2,0,1]=4 227 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,0,0,0,0,1|2,0,1]=4 228 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [0,0,0,0,0,1|3,0,0]=4 232 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [0,0,0,0,0,1|3,0,0]=4 233 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [0,0,0,0,0,1|2,0,1]=4 234 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [0,0,0,0,0,1|2,0,0]=3 236 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,0,0,0,0,1|2,0,0]=3 237 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,0,0,0,0,1|2,0,0]=3 238 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [0,0,0,0,0,1|2,0,0]=3 239 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,0,0,0,0,1|1,0,0]=2 240 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [0,0,0,0,0,1|2,0,0]=3 241 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [0,0,0,0,0,1|2,0,0]=3 242 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,0,0,0,0,1|2,0,0]=3 243 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [0,0,0,0,0,1|1,0,1]=3 244 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,0,0,0,0,1|0,0,1]=2 245 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [0,0,0,0,0,1|1,0,1]=3 246 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,0,0,0,0,1|1,0,0]=2 248 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [0,0,0,0,0,1|2,0,0]=3 249 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [0,0,0,0,0,1|1,0,1]=3 250 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,0,0,0,0,1|1,0,0]=2 251 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [0,0,0,0,0,1|2,0,0]=3 252 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,0,0,1|1,0,1]=3 253 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,0,0,1|2,0,1]=4 254 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,0,0,1|1,0,2]=4 255 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,0,0,0,0,1|1,0,0]=2 256 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [0,0,0,0,0,1|2,0,0]=3 257 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [0,0,0,0,0,1|0,0,1]=2 258 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,0,0,0,0,1|1,0,1]=3 259 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,0,0,1|2,0,1]=4 261 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,0,0,1|2,0,1]=4 262 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,0,0,1|2,0,1]=4 263 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [0,0,0,0,0,1|3,0,0]=4 264 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [0,0,0,0,0,1|2,0,0]=3 265 B8R1.4 N=C1C=CNC(=N)N1 CNP0079987.0 [0,0,0,0,0,1|2,0,0]=3 266 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [0,0,0,0,0,1|3,0,0]=4 267 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [0,0,0,0,0,1|3,0,0]=4 268 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [0,0,0,0,0,1|3,0,0]=4 269 B8R1.4 NC1=CC=NC(=N1)N CNP0488931.0 [0,0,0,0,0,1|2,0,1]=4 270 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [0,0,0,0,0,1|2,0,1]=4 271 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [0,0,0,0,0,1|2,0,0]=3 272 B8R1.4 NC1=CN=CC(=N1)Cl CNP0482214.0 [0,0,0,0,0,1|2,0,1]=4 273 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [0,0,0,0,0,1|2,0,1]=4 274 B8R1.4 NC1=NC(=O)NC=C1 CNP0547250.0 [0,0,0,0,0,1|2,0,1]=4 275 B8R1.4 O=C1C=CNC(=O)N1 CNP0289236.0 [0,0,0,0,0,1|2,0,0]=3 276 B8R1.4 O=C1C=CNC(=S)N1 CNP0267533.0 [0,0,0,0,0,1|2,0,0]=3 277 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.4 O=C1NC=CC(=S)N1 CNP0526922.0 [0,0,0,0,0,1|2,0,0]=3 279 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [0,0,0,0,0,1|3,0,0]=4 280 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [0,0,0,0,0,1|3,0,0]=4 281 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [0,0,0,0,0,1|2,0,1]=4 282 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [0,0,0,0,0,1|2,0,1]=4 283 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [0,0,0,0,0,1|2,0,1]=4 284 B8R1.4 OC1=NC=C[C@@H](N1)O CNP0520430.1 [0,0,0,0,0,1|2,0,1]=4 285 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [0,0,0,0,0,1|3,0,0]=4 286 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [0,0,0,0,0,1|2,0,1]=4 287 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,1,0,0,0|1,0,0]=3 288 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,1,0,0,0|1,0,1]=4 289 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,1,0,0,0|1,0,0]=3 290 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,1,0,0,0|1,0,1]=4 291 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,1,0,0,0|1,0,1]=4 292 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,1,0,0,0|2,0,0]=4 293 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,1,0,0,0|2,0,0]=4 294 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,0,1,0,0,0|1,0,1]=4 295 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,1,0,0,0|1,0,0]=3 296 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,1,0,0,0|2,0,0]=4 297 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,1,0,0,0|1,0,0]=3 298 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,1,0,0,0|2,0,0]=4 299 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,1,0,0,0|2,0,0]=4 300 B5R0.1 CC=CC(=S)N CNP0219494.0 [1,0,1,0,0,0|1,0,0]=3 301 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,1,0,0,0|1,0,1]=4 302 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,1,0,0,0|1,0,1]=4 303 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,1,0,0,0|1,0,1]=4 304 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,1,0,0,0|1,0,1]=4 305 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,1,0,0,0|1,0,1]=4 306 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,0,1,0,0,0|2,0,0]=4 307 B5R0.2 C=CC=CC=C CNP0612137.0 [1,0,1,0,0,0|0,0,2]=4 308 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,1,0,0,0|1,0,1]=4 309 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,1,0,0,0|0,0,2]=4 310 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,1,0,0,0|0,0,2]=4 311 B5R0.2 CC=C=COC CNP0519318.0 [1,0,1,0,0,0|1,0,1]=4 312 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,1,0,0,0|0,0,0]=2 313 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,1,0,0,0|1,0,1]=4 314 B5R0.2 CC=CCCC CNP0419577.0 [1,0,1,0,0,0|0,0,2]=4 315 B5R0.2 CC=CSSC CNP0214071.0 [1,0,1,0,0,0|2,0,0]=4 316 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,1,0,0,0|1,0,1]=4 317 B5R0.2 CCC=CSC CNP0068372.0 [1,0,1,0,0,0|1,0,1]=4 318 B5R0.2 COC=COC CNP0416791.0 [1,0,1,0,0,0|2,0,0]=4 319 B5R0.2 CSC=CSC CNP0075985.0 [1,0,1,0,0,0|2,0,0]=4 320 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,1,0,0,0|0,0,0]=2 321 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,1,0,0,0|1,0,1]=4 322 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,1,0,0,0|2,0,0]=4 323 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,1,0,0,0|1,0,0]=3 324 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,1,0,0,0|0,0,2]=4 325 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,1,0,0,0|1,0,1]=4 326 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,1,0,0,0|1,0,1]=4 327 B5R1.1 C1=CCC=C1 CNP0588646.0 [2,0,0,0,0,0|1,0,0]=3 328 B5R1.1 C1=CNC=C1 CNP0578490.0 [2,0,0,0,0,0|0,0,0]=2 329 B5R1.1 C1=CNC=N1 CNP0593616.0 [2,0,0,0,0,0|1,0,0]=3 330 B5R1.1 C1=CNCC1 CNP0527065.0 [2,0,0,0,0,0|0,0,2]=4 331 B5R1.1 C1=CNN=C1 CNP0583187.0 [2,0,0,0,0,0|1,0,0]=3 332 B5R1.1 C1=COC=C1 CNP0601420.0 [2,0,0,0,0,0|1,0,0]=3 333 B5R1.1 C1=CON=C1 CNP0611744.0 [2,0,0,0,0,0|1,0,1]=4 334 B5R1.1 C1=CSC=C1 CNP0604134.0 [2,0,0,0,0,0|1,0,0]=3 335 B5R1.1 C1=CSC=N1 CNP0495876.0 [2,0,0,0,0,0|1,0,1]=4 336 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [2,0,0,0,0,0|1,0,1]=4 337 B5R1.1 C1=NNC=N1 CNP0513348.0 [2,0,0,0,0,0|2,0,0]=4 338 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,1,1,0,0,0|1,0,1]=4 339 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,1,1,0,0,0|1,0,0]=3 340 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,1,1,0,0,0|1,0,1]=4 341 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,1,1,0,0,0|1,0,1]=4 342 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,1,0,0,0|1,0,1]=4 343 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,1,0,0,0|1,0,0]=3 344 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,1,1,0,0,0|1,0,1]=4 345 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [0,1,1,0,0,0|1,0,1]=4 346 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,1,1,0,0,0|2,0,0]=4 347 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,1,1,0,0,0|1,0,0]=3 348 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,1,1,0,0,0|1,0,1]=4 349 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,1,1,0,0,0|1,0,0]=3 350 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,1,1,0,0,0|2,0,0]=4 351 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,1,1,0,0,0|1,0,1]=4 352 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,1,1,0,0,0|1,0,1]=4 353 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,1,1,0,0,0|1,0,0]=3 354 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,1,1,0,0,0|1,0,0]=3 355 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,1,1,0,0,0|2,0,0]=4 356 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,1,1,0,0,0|1,0,1]=4 357 B7R0.6 N=C(N)C=CC(=N)N CNP0568602.0 [0,1,1,0,0,0|2,0,0]=4 358 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [0,1,1,0,0,0|2,0,0]=4 359 B7R0.6 NC(=CC=C(N)O)O CNP0445751.0 [0,1,1,0,0,0|2,0,0]=4 360 B7R0.6 NC(=O)C=CC(=O)N CNP0214096.0 [0,1,1,0,0,0|2,0,0]=4 361 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,1,1,0,0,0|2,0,0]=4 362 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [1,1,0,0,0,0|1,0,1]=4 363 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,1,0,0,0,0|1,0,1]=4 364 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [1,1,0,0,0,0|1,0,1]=4 365 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,1,0,0,0,0|1,0,0]=3 366 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,1,0,0,0,0|1,0,0]=3 367 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,1,0,0,0,0|2,0,0]=4 368 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,1,0,0,0,0|2,0,0]=4 369 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,1,0,0,0,0|1,0,1]=4 370 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,1,0,0,0,0|2,0,0]=4 371 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,1,0,0,0,0|0,0,0]=2 372 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,1,0,0,0,0|0,0,2]=4 374 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,1,0,0,0,0|2,0,0]=4 375 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [1,1,0,0,0,0|0,0,1]=3 376 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [1,1,0,0,0,0|1,0,1]=4 377 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [1,1,0,0,0,0|1,0,1]=4 378 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [1,1,0,0,0,0|0,0,1]=3 379 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [1,1,0,0,0,0|1,0,1]=4 380 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,1,0,0,0,0|1,0,1]=4 381 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,1,0,0,0,0|1,0,0]=3 382 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,1,0,0,0,0|1,0,0]=3 383 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,1,0,0,0,0|2,0,0]=4 384 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,1,0,0,0,0|2,0,0]=4 385 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,1,0,0,0,0|1,0,0]=3 386 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,1,0,0,0,0|1,0,0]=3 387 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [1,1,0,0,0,0|1,0,0]=3 388 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [1,1,0,0,0,0|1,0,0]=3 389 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [1,1,0,0,0,0|1,0,0]=3 390 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,1,0,0,0,0|1,0,0]=3 391 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [1,1,0,0,0,0|1,0,1]=4 392 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,1,0,0,0,0|1,0,0]=3 393 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [1,1,0,0,0,0|1,0,1]=4 394 B7R1.4 CC1=CN=CN1C CNP0283331.0 [1,1,0,0,0,0|1,0,0]=3 395 B7R1.4 CC1=CSC=C1C CNP0084292.0 [1,1,0,0,0,0|2,0,0]=4 396 B7R1.4 CC1=NC=CN1C CNP0511652.0 [1,1,0,0,0,0|1,0,0]=3 397 B7R1.4 CN1C=CN=C1N CNP0308541.0 [1,1,0,0,0,0|2,0,0]=4 398 B7R1.4 CN1C=CN=C1S CNP0605467.0 [1,1,0,0,0,0|2,0,0]=4 399 B7R1.4 CN1C=CNC1=S CNP0156475.0 [1,1,0,0,0,0|2,0,0]=4 400 B7R1.4 CN1C=NC=C1Cl CNP0048393.0 [1,1,0,0,0,0|2,0,0]=4 401 B7R1.4 CN1CC=CC1=O CNP0611983.0 [1,1,0,0,0,0|1,0,1]=4 402 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [1,1,0,0,0,0|2,0,0]=4 403 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [1,1,0,0,0,0|2,0,0]=4 404 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,1,0,0,1,0|2,0,0]=4 405 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [0,1,0,0,0,1|1,0,1]=4 406 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [0,1,0,0,0,1|1,0,1]=4 407 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [0,1,0,0,0,1|1,0,1]=4 408 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [0,1,0,0,0,1|1,0,0]=3 409 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [0,1,0,0,0,1|1,0,1]=4 412 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,1,0,0,0,1|1,0,0]=3 414 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,1,0,0,0,1|0,0,1]=3 417 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,1,0,0,0,1|0,0,1]=3 418 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [0,1,0,0,0,1|1,0,1]=4 419 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [0,1,0,0,0,1|1,0,0]=3 421 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [0,1,0,0,0,1|1,0,1]=4 424 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [0,1,0,0,0,1|1,0,1]=4 425 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [0,1,0,0,0,1|1,0,1]=4 429 B9R1.69 CC1=C(NC(=O)N=C1)N CNP0315727.0 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,1,0,0,0,1|0,0,1]=3 431 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,1,0,0,0,1|1,0,0]=3 436 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,1,0,0,0,1|1,0,0]=3 440 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,1,0,0,0,1|1,0,0]=3 445 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,1,0,0,0,1|1,0,0]=3 450 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,1,0,0,0,1|0,0,1]=3 452 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,1,0,0,0,1|1,0,1]=4 453 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,1,0,0,0,1|1,0,1]=4 454 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [0,1,0,0,0,1|0,0,1]=3 463 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [0,1,0,0,0,1|1,0,1]=4 464 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [0,1,0,0,0,1|1,0,1]=4 465 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [0,1,0,0,0,1|1,0,0]=3 466 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [0,1,0,0,0,1|1,0,0]=3 467 B9R1.69 CC1=CNC(=O)N=C1N CNP0513326.0 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.69 CC1=CNC(=O)NC1=O CNP0143365.0 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.69 CC1=CNC(C(=O)N1)C CNP0609428.0 [0,1,0,0,0,1|1,0,1]=4 470 B9R1.69 CC1=C[N+](=C(C=N1)C)[O-] CNP0514079.0 [0,1,0,0,0,1|1,0,1]=4 471 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [0,1,0,0,0,1|1,0,1]=4 472 B9R1.69 CC1=NNC(=O)NC1=O CNP0082142.0 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.69 CN1C=CC(=O)NC1=O CNP0199194.0 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.69 CN1C=CC(=O)NC1=S CNP0157783.0 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.69 O=C1C=C(C(=CN1)Cl)O CNP0569686.0 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [0,1,0,0,0,1|0,0,2]=4 477 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [0,1,0,0,0,1|1,0,1]=4 478 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [0,1,0,0,0,1|1,0,1]=4 479 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,1,0,0,0,1|1,0,0]=3 480 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [0,1,0,0,0,1|0,0,2]=4 481 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [0,1,0,0,0,1|1,0,1]=4 482 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [0,1,0,0,0,1|1,0,1]=4 483 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,0,0,1|1,0,0]=3 485 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,0,0,1|1,0,0]=3 486 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,0,0,1|0,0,1]=3 488 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,1,0,0,0,1|1,0,0]=3 489 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,1,0,0,0,1|1,0,0]=3 490 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [0,1,0,0,0,1|0,0,1]=3 491 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [0,1,0,0,0,1|1,0,1]=4 492 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,1,0,0,0,1|1,0,0]=3 494 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [0,1,0,0,0,1|0,0,1]=3 498 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [0,1,0,0,0,1|1,0,1]=4 499 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [0,1,0,0,0,1|0,0,1]=3 500 B9R1.2 CSC1=NC(=O)C=CN1 CNP0247798.0 [0,1,0,0,0,1|1,0,1]=4 501 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [0,1,0,0,0,1|1,0,1]=4 505 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [0,1,0,0,0,1|1,0,1]=4 506 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,1,0,0,0,1|1,0,0]=3 510 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,1,0,0,0,1|1,0,0]=3 513 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,1,0,0,0,1|1,0,0]=3 515 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,1,0,0,0,1|1,0,0]=3 517 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [0,1,0,0,0,1|1,0,0]=3 519 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [0,1,0,0,0,1|1,0,0]=3 520 B9R1.3 CN1C(=CC=NC1=O)N CNP0001922.0 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.3 CN1C(=NC=CC1=O)O CNP0557631.0 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.3 CN1C(=O)C=CNC1=O CNP0086090.0 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.3 CN1C(=O)C=CNC1=S CNP0267461.0 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [0,1,0,0,0,1|1,0,0]=3 525 B9R1.34 CC1=CC(=CC(=C1)Br)N CNP0191453.0 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [0,1,0,0,0,1|1,0,0]=3 527 B9R1.34 CC1=CC(=CC(=C1)Cl)Cl CNP0135847.0 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [0,1,0,0,0,1|1,0,0]=3 529 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [0,1,0,0,0,1|1,0,0]=3 530 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [0,1,0,0,0,1|1,0,0]=3 531 B9R1.34 CC1=CC(=CC(=C1)O)O CNP0300146.0 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [0,1,0,0,0,1|1,0,0]=3 533 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.34 CC1=CC(=NC(=C1)C)C CNP0261026.0 [0,1,0,0,0,1|0,0,1]=3 535 B9R1.34 CC1=CC(=NC(=C1)O)O CNP0028519.0 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.34 CC1=CC(=NC(=N1)Cl)C CNP0067917.0 [0,1,0,0,0,1|1,0,1]=4 537 B9R1.34 CC1=CC(=NC(=N1)N)C CNP0449380.0 [0,1,0,0,0,1|1,0,1]=4 538 B9R1.34 CC1=CC(=NC(=N1)S)O CNP0294316.0 [0,1,0,0,0,1|1,0,1]=4 539 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,1,0,0,0,1|1,0,1]=4 541 B9R1.34 CC1=CC(=O)NC(=S)N1 CNP0527451.0 [0,1,0,0,0,1|1,0,0]=3 542 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,1,0,0,0,1|1,0,0]=3 543 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [0,1,0,0,0,1|1,0,0]=3 544 B9R1.34 NC1=CC(=O)N=C(N1)N CNP0002356.0 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.7 CC1=CC=C(O1)C=NO CNP0143047.0 [0,2,0,0,0,0|1,0,1]=4 546 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [0,2,0,0,0,0|1,0,1]=4 548 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,2,0,0,0,0|1,0,1]=4 549 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.7 CCOC1C=CC(=O)N1 CNP0590383.0 [0,2,0,0,0,0|1,0,1]=4 551 B9R1.7 NCCC1=CN=C(N1)F CNP0610560.0 [0,2,0,0,0,0|2,0,0]=4 552 B9R1.7 O=C1C=CC(=CCO)O1 CNP0169626.0 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.21 C=CC1=CC=C(N1)C=O CNP0303853.0 [0,2,0,0,0,0|0,0,2]=4 554 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [0,2,0,0,0,0|1,0,1]=4 555 B9R1.21 CCC1=CN=C(S1)CC CNP0055349.0 [0,2,0,0,0,0|2,0,0]=4 556 B9R1.21 CCC1=CSC(=N1)CC CNP0002533.0 [0,2,0,0,0,0|1,0,1]=4 557 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [0,2,0,0,0,0|1,0,1]=4 558 B9R1.21 O=CC1=CC=C(N1)CO CNP0146563.0 [0,2,0,0,0,0|0,0,1]=3 559 B9R1.21 O=CC1=CC=C(O1)CO CNP0222574.0 [0,2,0,0,0,0|1,0,1]=4 560 B9R1.21 OCC1=CC=C(O1)CO CNP0279400.0 [0,2,0,0,0,0|1,0,0]=3 561 B9R1.22 C=CC1=C(N=C(S1)C)C CNP0002831.0 [0,2,0,0,0,0|1,0,1]=4 562 B9R1.22 CCC1=C(N=C(O1)C)C CNP0002748.0 [0,2,0,0,0,0|1,0,1]=4 563 B9R1.22 CCC1=C(N=C(S1)C)C CNP0002546.0 [0,2,0,0,0,0|1,0,1]=4 564 B9R1.22 CCC1=C(OC(=N1)C)C CNP0331848.0 [0,2,0,0,0,0|1,0,1]=4 565 B9R1.22 CCC1=C(SC(=N1)C)C CNP0002547.0 [0,2,0,0,0,0|1,0,1]=4 566 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [0,2,0,0,0,0|1,0,0]=3 567 B9R1.23 CC1=CC(=NN1C)CO CNP0062885.0 [0,2,0,0,0,0|1,0,1]=4 568 B9R1.23 CC1=CC(=NO)NC1=O CNP0278916.0 [0,2,0,0,0,0|2,0,0]=4 569 B9R1.23 CCC1=NC(=C(O1)C)C CNP0177649.0 [0,2,0,0,0,0|1,0,1]=4 570 B9R1.23 CCC1=NC(=C(S1)C)C CNP0002548.0 [0,2,0,0,0,0|1,0,1]=4 571 B9R1.23 COC1=CC(=O)N(C1)C CNP0017529.0 [0,2,0,0,0,0|2,0,0]=4 572 B9R1.23 N#CC1=CC(=C(N1)Br)Br CNP0328076.0 [0,2,0,0,0,0|1,0,1]=4 573 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,2,0,0,0,0|1,0,0]=3 575 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,2,0,0,0,0|1,0,0]=3 576 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [0,2,0,0,0,0|1,0,1]=4 579 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,2,0,0,0,0|1,0,1]=4 580 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,2,0,0,0,0|1,0,1]=4 581 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,2,0,0,0,0|1,0,0]=3 582 B9R1.35 CC1=CSC(=N1)C(C)C CNP0165450.0 [0,2,0,0,0,0|1,0,1]=4 583 B9R1.35 CC1=NC(=CS1)C(C)C CNP0015302.0 [0,2,0,0,0,0|1,0,1]=4 584 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [0,2,0,0,0,0|1,0,1]=4 585 B9R1.35 NC(=O)C1=CC=C(N1)Br CNP0307809.0 [0,2,0,0,0,0|1,0,1]=4 586 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,2,0,0,0,0|1,0,1]=4 587 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,2,0,0,0,0|2,0,0]=4 588 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.133 CCC1=CC(C=C1)(C)C CNP0076201.0 [0,2,0,0,0,0|1,0,1]=4 590 B9R1.37 BrC1=C(C(=C(N1)Br)Br)Br CNP0117468.0 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.37 C=C1CC(=C(C1=O)C)C CNP0259066.0 [0,2,0,0,0,0|1,0,1]=4 592 B9R1.37 C=C1OC(=C(C1=O)O)C CNP0458882.0 [0,2,0,0,0,0|1,0,1]=4 593 B9R1.37 CC1=C(C(=C(N1)C)C)C CNP0159162.0 [0,2,0,0,0,0|0,0,0]=2 594 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,2,0,0,0,0|1,0,1]=4 595 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)O CNP0306768.1 [0,2,0,0,0,0|1,0,1]=4 596 B9R1.37 CC1=C(C(=O)[C@@H](O1)C)O CNP0310181.1 [0,2,0,0,0,0|1,0,1]=4 597 B9R1.37 CC1=C(C(=O)[C@H](O1)C)O CNP0310181.2 [0,2,0,0,0,0|1,0,1]=4 598 B9R1.37 CC1=CC(=O)C(C1C)C CNP0591733.0 [0,2,0,0,0,0|1,0,1]=4 599 B9R1.37 CC1=CC(=O)N(C1=O)C CNP0017910.0 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.37 CC1=CC(=O)N(N1C)C CNP0564367.0 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.37 CC1=NN(C(=C1I)Cl)C CNP0469987.0 [0,2,0,0,0,0|1,0,1]=4 602 B9R1.37 O=C1NC(=O)C(=C1Br)Br CNP0148274.0 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.38 CC1=CC(=O)C(C1)(C)C CNP0143665.0 [0,2,0,0,0,0|1,0,1]=4 604 B9R1.27 C=CN1C(=O)C=CC1=O CNP0576655.0 [0,2,0,0,0,0|2,0,0]=4 605 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [0,2,0,0,0,0|2,0,0]=4 606 B9R1.27 CCN1C(=O)C=CC1=O CNP0447617.0 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.138 CC1=C(C(C=C1)(C)C)C CNP0350269.0 [0,2,0,0,0,0|1,0,1]=4 608 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,0,1,1,0,0|1,0,1]=4 609 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [0,0,1,1,0,0|0,0,2]=4 610 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [0,0,1,1,0,0|2,0,0]=4 611 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [0,0,1,1,0,0|1,0,1]=4 612 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [0,0,1,1,0,0|1,0,1]=4 613 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,1,1,0,0|1,0,1]=4 614 B7R1.6 C=CC=C1C=CC1 CNP0487759.0 [0,0,1,1,0,0|1,0,1]=4 615 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,0,1,1,0,0|2,0,0]=4 616 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,0,1,1,0,0|2,0,0]=4 617 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [1,0,0,1,0,0|1,0,0]=3 618 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [0,0,1,0,1,0|0,0,0]=2 619 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,0,1,0,1,0|1,0,0]=3 620 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [0,0,1,0,1,0|2,0,0]=4 621 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,0,1,0,1,0|2,0,0]=4 622 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,0,1,0,1,0|2,0,0]=4 623 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,0,1,0,1,0|1,0,1]=4 624 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,0,1,0,1,0|1,0,1]=4 625 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,0,1,0,1,0|0,0,2]=4 626 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,0,1,0,1,0|1,0,1]=4 627 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,1,0,1,0|2,0,0]=4 628 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,0,0,0,0,2|1,0,0]=3