0 B11R2.1 BrC1=C2C=CC=CN2N=C1 CNP0121314.0 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 BrC1=CN=C2N1C=CC=C2 CNP0437961.0 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 BrC1=NOC2=NC=CC=C12 CNP0439531.0 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.1 CC1=C2C=CN=NC2=NO1 CNP0287324.0 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.1 CC1=C2C=NC=NC2=NO1 CNP0000833.0 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.1 CC1=C2C=NN=CC2=NO1 CNP0116128.0 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.1 CC1=C2N=CC=NC2=NO1 CNP0000955.0 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.1 CC1=C2N=CN=CC2=NO1 CNP0000960.0 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.1 CC1=C2N=NC=CC2=NO1 CNP0097244.0 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,0,0,0|2,0,0]=2 14 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,0,0,0,0,0|3,0,0]=3 15 B11R2.1 CC1=CNC2=CC=CN=C12 CNP0018040.0 [0,0,0,0,0,0|4,0,0]=4 16 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,0,0,0,0,0|3,0,0]=3 17 B11R2.1 CN1N=NC2=CC=CC=C12 CNP0059083.0 [0,0,0,0,0,0|4,0,0]=4 18 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,0,0,0,0,0|2,0,2]=4 19 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,0,0,0,0,0|2,0,2]=4 20 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,0,0,0,0,0|2,0,1]=3 21 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,0,0,0,0,0|3,0,1]=4 22 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [0,0,0,0,0,0|3,0,0]=3 23 B11R2.1 ClC1=NOC2=NC=CC=C12 CNP0066661.0 [0,0,0,0,0,0|4,0,0]=4 24 B11R2.1 N=C1OC=C2C1=CC=NN2 CNP0385756.0 [0,0,0,0,0,0|3,0,1]=4 25 B11R2.1 N=C1OC=C2C1=CN=CN2 CNP0139746.0 [0,0,0,0,0,0|3,0,1]=4 26 B11R2.1 N=C1OC=C2C1=CNN=C2 CNP0000829.0 [0,0,0,0,0,0|3,0,1]=4 27 B11R2.1 N=C1OC=C2C1=NC=CN2 CNP0315128.0 [0,0,0,0,0,0|3,0,1]=4 28 B11R2.1 N=C1OC=C2C1=NNC=C2 CNP0000863.0 [0,0,0,0,0,0|3,0,1]=4 29 B11R2.1 N=C1OC=C2N1C=CC=N2 CNP0001117.0 [0,0,0,0,0,0|3,0,1]=4 30 B11R2.1 N=C1OC=C2N1C=CN=C2 CNP0396683.0 [0,0,0,0,0,0|3,0,1]=4 31 B11R2.1 N=C1OC=C2N1C=NC=C2 CNP0001024.0 [0,0,0,0,0,0|3,0,1]=4 32 B11R2.1 N=C1OC=C2N1N=CC=C2 CNP0001065.0 [0,0,0,0,0,0|3,0,1]=4 33 B11R2.1 N=C1ON=C2C1=CC=CN2 CNP0272100.0 [0,0,0,0,0,0|3,0,0]=3 34 B11R2.1 N=C1ON=C2C1=CNC=C2 CNP0283866.0 [0,0,0,0,0,0|3,0,0]=3 35 B11R2.1 N=C1ON=C2N1C=CC=C2 CNP0197743.0 [0,0,0,0,0,0|3,0,0]=3 36 B11R2.1 N=C1ONC2=CC=CN=C12 CNP0051116.0 [0,0,0,0,0,0|3,0,0]=3 37 B11R2.1 N=C1ONC2=CC=NC=C12 CNP0173963.0 [0,0,0,0,0,0|3,0,0]=3 38 B11R2.1 N=C1ONC2=CN=CC=C12 CNP0352829.0 [0,0,0,0,0,0|3,0,0]=3 39 B11R2.1 NC1=C2C=CC=NC2=NO1 CNP0001255.0 [0,0,0,0,0,0|3,0,0]=3 40 B11R2.1 NC1=C2C=CN=CC2=NO1 CNP0293891.0 [0,0,0,0,0,0|3,0,0]=3 41 B11R2.1 NC1=C2C=CN=NC2=CO1 CNP0001008.0 [0,0,0,0,0,0|3,0,1]=4 42 B11R2.1 NC1=C2C=COC=C2N=N1 CNP0001204.0 [0,0,0,0,0,0|4,0,0]=4 43 B11R2.1 NC1=C2C=NC=CC2=NO1 CNP0277328.0 [0,0,0,0,0,0|3,0,0]=3 44 B11R2.1 NC1=C2C=NC=NC2=CO1 CNP0013703.0 [0,0,0,0,0,0|3,0,1]=4 45 B11R2.1 NC1=C2C=NN=CC2=CO1 CNP0284959.0 [0,0,0,0,0,0|3,0,1]=4 46 B11R2.1 NC1=C2N=CC=CC2=NO1 CNP0001258.0 [0,0,0,0,0,0|3,0,0]=3 47 B11R2.1 NC1=C2N=CC=NC2=CO1 CNP0001001.0 [0,0,0,0,0,0|3,0,1]=4 48 B11R2.1 NC1=C2N=CN=CC2=CO1 CNP0298279.0 [0,0,0,0,0,0|3,0,1]=4 49 B11R2.1 NC1=C2N=NC=CC2=CO1 CNP0001015.0 [0,0,0,0,0,0|3,0,1]=4 50 B11R2.1 NC1=C2OC=CC=C2N=N1 CNP0001191.0 [0,0,0,0,0,0|4,0,0]=4 51 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [0,0,0,0,0,0|3,0,0]=3 52 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,0,0,0,0,0|2,0,0]=2 53 B11R2.1 NC1=NN=C2C1=CC=CO2 CNP0326452.0 [0,0,0,0,0,0|4,0,0]=4 54 B11R2.1 NC1=NN=C2C1=COC=C2 CNP0197674.0 [0,0,0,0,0,0|4,0,0]=4 55 B11R2.1 NC1=NOC2=CC=CN=C12 CNP0053623.0 [0,0,0,0,0,0|4,0,0]=4 56 B11R2.1 NC1=NOC2=CC=NC=C12 CNP0001313.0 [0,0,0,0,0,0|4,0,0]=4 57 B11R2.1 NC1=NOC2=CN=CC=C12 CNP0001314.0 [0,0,0,0,0,0|4,0,0]=4 58 B11R2.1 NC1=NOC2=NC=CC=C12 CNP0001338.0 [0,0,0,0,0,0|4,0,0]=4 59 B11R2.1 NC1=NSC2=CC=CC=C12 CNP0506740.0 [0,0,0,0,0,0|3,0,0]=3 60 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,0,0,0,0,0|2,0,0]=2 61 B11R2.1 NN1N=NC2=CC=CC=C12 CNP0537477.0 [0,0,0,0,0,0|4,0,0]=4 62 B11R2.1 NN1N=[NH+]C2=CC=CC=C12 CNP0496313.0 [0,0,0,0,0,0|4,0,0]=4 63 B11R2.1 O=C1C=NC2=C1C=CNN2 CNP0001113.0 [0,0,0,0,0,0|4,0,0]=4 64 B11R2.1 O=C1C=NC2=C1NC=CN2 CNP0001121.0 [0,0,0,0,0,0|4,0,0]=4 65 B11R2.1 O=C1C=NC2=C1NNC=C2 CNP0001049.0 [0,0,0,0,0,0|4,0,0]=4 66 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,0,0,0,0,0|2,0,0]=2 67 B11R2.1 O=C1C=NC2=CC=CNN12 CNP0367910.0 [0,0,0,0,0,0|4,0,0]=4 68 B11R2.1 O=C1C=NC2=CNC=CN12 CNP0296020.0 [0,0,0,0,0,0|4,0,0]=4 69 B11R2.1 O=C1C=NC2=CNNC=C12 CNP0001111.0 [0,0,0,0,0,0|4,0,0]=4 70 B11R2.1 O=C1C=NN2C1=CC=CN2 CNP0001140.0 [0,0,0,0,0,0|4,0,0]=4 71 B11R2.1 O=C1C=NN2C1=CNC=C2 CNP0298907.0 [0,0,0,0,0,0|4,0,0]=4 72 B11R2.1 O=C1C=NN2N1C=CC=C2 CNP0228145.0 [0,0,0,0,0,0|4,0,0]=4 73 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,0,0,0|1,0,0]=1 74 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,0,0,0|2,0,0]=2 75 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,0,0,0|2,0,0]=2 76 B11R2.1 O=C1N=CC2=C1C=CNN2 CNP0380899.0 [0,0,0,0,0,0|3,0,1]=4 77 B11R2.1 O=C1N=CC2=C1NC=CN2 CNP0000845.0 [0,0,0,0,0,0|3,0,1]=4 78 B11R2.1 O=C1N=CC2=C1NNC=C2 CNP0385661.0 [0,0,0,0,0,0|3,0,1]=4 79 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,0,0,0,0,0|1,0,1]=2 80 B11R2.1 O=C1N=CC2=CC=CNN12 CNP0151130.0 [0,0,0,0,0,0|3,0,1]=4 81 B11R2.1 O=C1N=CC2=CNC=CN12 CNP0155863.0 [0,0,0,0,0,0|3,0,1]=4 82 B11R2.1 O=C1N=CC2=CNNC=C12 CNP0000824.0 [0,0,0,0,0,0|3,0,1]=4 83 B11R2.1 O=C1N=CN2C1=CC=CN2 CNP0398346.0 [0,0,0,0,0,0|3,0,1]=4 84 B11R2.1 O=C1N=CN2C1=CNC=C2 CNP0032090.0 [0,0,0,0,0,0|3,0,1]=4 85 B11R2.1 O=C1N=CN2N1C=CC=C2 CNP0001083.0 [0,0,0,0,0,0|3,0,1]=4 86 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,0,0,0|1,0,0]=1 87 B11R2.1 O=C1NN=C2N1C=CC=C2 CNP0087061.0 [0,0,0,0,0,0|3,0,0]=3 88 B11R2.1 O=C1NNC2=CC=CN=C12 CNP0001333.0 [0,0,0,0,0,0|3,0,0]=3 89 B11R2.1 O=C1NNC2=CN=CC=C12 CNP0001339.0 [0,0,0,0,0,0|3,0,0]=3 90 B11R2.1 O=C1NNC2=NC=CC=C12 CNP0343378.0 [0,0,0,0,0,0|3,0,0]=3 91 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,0,0,0,0,0|2,0,0]=2 92 B11R2.1 O=C1OCC2=C1NCSC2 CNP0271688.0 [0,0,0,0,0,0|2,0,2]=4 93 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,0,0,0|0,0,0]=0 94 B11R2.1 OC1=C2C=CC=CN2N=N1 CNP0199539.0 [0,0,0,0,0,0|3,0,1]=4 95 B11R2.1 OC1=C2C=CNC=C2N=N1 CNP0067928.0 [0,0,0,0,0,0|3,0,1]=4 96 B11R2.1 OC1=C2NC=CC=C2N=N1 CNP0414140.0 [0,0,0,0,0,0|3,0,1]=4 97 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,0,0,0,0,0|2,0,1]=3 98 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,0,0,0|1,0,1]=2 99 B11R2.1 OC1=NN=C2C1=CNC=C2 CNP0001061.0 [0,0,0,0,0,0|3,0,1]=4 100 B11R2.1 OC1=NNC2=CC=NC=C12 CNP0001328.0 [0,0,0,0,0,0|3,0,1]=4 101 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,0,0,0,0,0|2,0,1]=3 102 B11R2.1 ON1N=NC2=CC=CC=C12 CNP0077091.0 [0,0,0,0,0,0|3,0,1]=4 103 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 CNP0580916.0 [0,0,0,0,0,0|2,0,1]=3 104 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [1,0,0,0,0,0|3,0,0]=4 105 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [1,0,0,0,0,0|2,0,1]=4 106 B10R2.7 C1=CC2=C(C=N1)SC=C2 CNP0610548.0 [1,0,0,0,0,0|3,0,0]=4 107 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,0,0,0|1,0,0]=2 108 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,0,0,0|2,0,0]=3 109 B10R2.7 C1=CC2=CC=CN2C=C1 CNP0429574.0 [1,0,0,0,0,0|2,0,1]=4 110 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,0,0,0|0,0,1]=2 111 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,0,0,0|1,0,0]=2 112 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [1,0,0,0,0,0|0,1,1]=3 113 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,0,0,0|2,0,0]=3 114 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [1,0,0,0,0,0|3,0,0]=4 115 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,0,0,0|1,0,1]=3 116 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,0,0,0|0,0,1]=2 117 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,0,0,0|2,0,0]=3 118 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [1,0,0,0,0,0|3,0,0]=4 119 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,0,0,0|2,0,0]=3 120 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,0,0,0|2,0,0]=3 121 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,0,0,0|2,0,0]=3 122 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,0,0,0|3,0,0]=4 123 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,0,0,0|2,0,0]=3 124 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,0,0,0|3,0,0]=4 125 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,0,0,0|2,0,0]=3 126 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [1,0,0,0,0,0|3,0,0]=4 127 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [1,0,0,0,0,0|3,0,0]=4 128 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [1,0,0,0,0,0|2,0,0]=3 129 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,0,0,0|2,0,1]=4 130 B10R2.7 C1=CN=C2NC=CC2=C1 CNP0134937.0 [1,0,0,0,0,0|3,0,0]=4 131 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,0,0,0|2,0,0]=3 132 B12R2.1 CC=C1C=CC2=CC=CC=C12 CNP0565828.0 [0,1,0,0,0,0|2,0,1]=4 133 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,1,0,0,0,0|1,0,1]=3 135 B12R2.1 N#CC1=CNC2=CC=CC=C12 CNP0266284.0 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.1 NCC1=CNC2=CC=CC=C12 CNP0174270.0 [0,1,0,0,0,0|3,0,0]=4 137 B12R2.1 NN=C1CCC2=CC=CC=C12 CNP0078710.0 [0,1,0,0,0,0|2,0,0]=3 138 B12R2.1 O=CC1=C2C=CC=CC2=NN1 CNP0129572.0 [0,1,0,0,0,0|2,0,0]=3 139 B12R2.1 O=CC1=CC=C2C1=COC=C2 CNP0236522.0 [0,1,0,0,0,0|2,0,1]=4 140 B12R2.1 O=CC1=CNC2=CC=CC=C12 CNP0123546.0 [0,1,0,0,0,0|2,0,0]=3 141 B12R2.1 O=CC1=CNC2=NC=CC=C12 CNP0197893.0 [0,1,0,0,0,0|3,0,0]=4 142 B12R2.1 O=CC1=NNC2=CC=CC=C12 CNP0602039.0 [0,1,0,0,0,0|2,0,0]=3 143 B12R2.1 O=C[C@H]1CNC2=CC=CC=C12 CNP0195265.1 [0,1,0,0,0,0|2,0,1]=4 144 B12R2.1 O=NN1CCC2=CC=CC=C12 CNP0055308.0 [0,1,0,0,0,0|2,0,0]=3 145 B12R2.1 OCC1=CNC2=CC=CC=C12 CNP0106378.0 [0,1,0,0,0,0|2,0,1]=4 146 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 CNP0030308.0 [0,1,0,0,0,0|3,0,0]=4 147 B12R2.18 C=C1C2=CC=CC=C2OC1O CNP0201067.0 [0,1,0,0,0,0|3,0,0]=4 148 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,1,0,0,0,0|2,0,0]=3 149 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [0,1,0,0,0,0|3,0,0]=4 150 B12R2.18 CN1C(=O)CC2=CC=CC=C12 CNP0182982.0 [0,1,0,0,0,0|3,0,0]=4 151 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,1,0,0,0,0|1,0,0]=2 152 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,1,0,0,0,0|1,0,0]=2 153 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O CNP0455333.1 [0,1,0,0,0,0|2,0,1]=4 154 B12R2.18 O=C1C(=NC2=CC=CC=C12)O CNP0512501.0 [0,1,0,0,0,0|2,0,0]=3 155 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [0,1,0,0,0,0|2,0,0]=3 156 B12R2.18 OC1=C(C2=CC=CC=C2N1)O CNP0017813.0 [0,1,0,0,0,0|2,0,1]=4 157 B12R2.18 O[C@@H]1C2=CC=CC=C2C[C@@H]1O CNP0181785.1 [0,1,0,0,0,0|1,0,2]=4 158 B12R2.18 O[C@H]1CC2=CC=CC=C2[C@@H]1O CNP0181785.2 [0,1,0,0,0,0|1,0,2]=4 159 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,0,0,0|1,0,0]=2 160 B12R2.132 C[C@H]1CCC2=CC=C(C=C12)O CNP0247617.1 [0,1,0,0,0,0|2,0,1]=4 161 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,0,0,0|1,0,0]=2 162 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,0,0,0|2,0,0]=3 163 B12R2.132 O[C@@H]1CCC2=CC=C(C=C12)Br CNP0369911.2 [0,1,0,0,0,0|1,0,2]=4 164 B12R2.132 O[C@H]1CCC2=CC=C(C=C12)Br CNP0369911.1 [0,1,0,0,0,0|1,0,2]=4 165 B12R2.196 CC1=CC=CC2=C1CCC2=O CNP0273734.0 [0,1,0,0,0,0|1,0,0]=2 166 B12R2.196 C[C@H]1CCC2=C(C=CC=C12)O CNP0354068.1 [0,1,0,0,0,0|2,0,1]=4 167 B12R2.196 O=C1CCOC2=C1COC2=O CNP0424007.0 [0,1,0,0,0,0|1,0,2]=4 168 B12R2.196 O=C1OCC2=C(C=CC=C12)O CNP0250510.0 [0,1,0,0,0,0|0,0,0]=1 169 B12R2.203 CC1=CC=CC2=C1C(=O)OC2 CNP0056851.0 [0,1,0,0,0,0|0,0,0]=1 170 B12R2.203 CC1=CNC2=CC=CC(=C12)O CNP0370615.0 [0,1,0,0,0,0|3,0,0]=4 171 B12R2.203 C[C@H]1CCC2=CC=CC(=C12)O CNP0249433.1 [0,1,0,0,0,0|2,0,1]=4 172 B12R2.203 O=C1CCC2=CC=CC(=C12)O CNP0573066.0 [0,1,0,0,0,0|1,0,0]=2 173 B12R2.203 O=C1OCC2=CC=CC(=C12)O CNP0160114.0 [0,1,0,0,0,0|0,0,0]=1 174 B12R2.612 BrC1=CC=C2C(=CNC2=C1)Br CNP0136142.0 [0,1,0,0,0,0|3,0,0]=4 175 B12R2.612 CC1=CC2=NNC(=C2C=C1)C CNP0075999.0 [0,1,0,0,0,0|3,0,0]=4 176 B12R2.612 CC1=CC2=NO[N+](=C2C=C1)[O-] CNP0549955.0 [0,1,0,0,0,0|2,0,1]=4 177 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,0,0,0|1,0,0]=2 178 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,1,0,0,0,0|0,0,0]=1 179 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,1,0,0,0,0|2,0,1]=4 180 B12R2.612 ClC1=CNC2=CC(=CC=C12)Br CNP0400940.0 [0,1,0,0,0,0|3,0,0]=4 181 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,1,0,0,0,0|1,0,0]=2 182 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,1,0,0,0,0|2,0,0]=3 183 B12R2.612 O=C1NOC2=CC(=CC=C12)O CNP0499269.0 [0,1,0,0,0,0|2,0,0]=3 184 B12R2.612 OB1OCC2=CC(=CC=C12)Cl CNP0572392.0 [0,1,0,0,0,0|1,0,1]=3 185 B12R2.612 OC1=CC=C2C(=NOC2=C1)O CNP0334574.0 [0,1,0,0,0,0|2,0,1]=4 186 B12R2.612 [O-][N+]1=C2C=CC(=CC2=NO1)Cl CNP0592397.0 [0,1,0,0,0,0|2,0,1]=4 187 B12R2.2028 C=C1CC(C2=CC=NC=C12)O CNP0199160.0 [0,1,0,0,0,0|3,0,0]=4 188 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,0,0,0|2,0,0]=3 189 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,0,0,0|2,0,0]=3 190 B12R2.2028 CC1C=C(C2=CC=NC=C12)O CNP0075839.0 [0,1,0,0,0,0|2,0,1]=4 191 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,1,0,0,0,0|2,0,0]=3 192 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,0,0,0|1,0,0]=2 193 B12R2.2028 C[C@@H]1CC(=O)C2=CC=NC=C12 CNP0213370.1 [0,1,0,0,0,0|2,0,0]=3 194 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,1,0,0,0,0|2,0,0]=3 195 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,0,0,0|1,0,0]=2 196 B12R2.2028 C[C@H]1CC(=O)C2=CC=NC=C12 CNP0213370.2 [0,1,0,0,0,0|2,0,0]=3 197 B12R2.2028 N=C1OC(=O)C2=CC=CN=C12 CNP0140879.0 [0,1,0,0,0,0|1,0,1]=3 198 B12R2.2028 O=C1C=[N+](C2=CC=CC=C12)[O-] CNP0507370.0 [0,1,0,0,0,0|2,0,0]=3 199 B12R2.2028 O=C1NC(=O)C2=NC=CC=C12 CNP0042197.0 [0,1,0,0,0,0|2,0,1]=4 200 B12R2.2028 O=C1OC(=O)C2=C1C=CCC2 CNP0113734.0 [0,1,0,0,0,0|0,0,3]=4 201 B12R2.2028 O=C1OC(=O)C2=C1CC=CC2 CNP0253398.0 [0,1,0,0,0,0|0,0,3]=4 202 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [0,1,0,0,0,0|0,0,1]=2 203 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CNP0256894.0 [0,1,0,0,0,0|1,0,1]=3 204 B12R2.2028 O=C1OC(=O)[C@@H]2C1=CC=CC2 CNP0305683.2 [0,1,0,0,0,0|0,0,3]=4 205 B12R2.2028 O=C1OC(=O)[C@H]2C1=CC=CC2 CNP0305683.1 [0,1,0,0,0,0|0,0,3]=4 206 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,1,0,0,0,0|0,0,0]=1 207 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [0,1,0,0,0,0|0,0,0]=1 208 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [0,1,0,0,0,0|0,0,0]=1 209 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 CNP0455995.0 [0,1,0,0,0,0|0,1,1]=3 210 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,0,1,0,0,0|1,0,1]=3 211 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,0,1,0,0,0|3,0,0]=4 212 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [0,0,1,0,0,0|2,0,1]=4 213 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,0,1,0,0,0|1,0,1]=3 214 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,0,1,0,0,0|3,0,0]=4 215 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,0,1,0,0,0|2,0,0]=3 216 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,0,1,0,0,0|1,0,0]=2 217 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,0,1,0,0,0|2,0,0]=3 218 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,0,1,0,0,0|2,0,1]=4 219 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,0,1,0,0,0|2,0,1]=4 220 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,0,1,0,0,0|1,0,2]=4 221 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,0,1,0,0,0|2,0,1]=4 222 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,0,1,0,0,0|1,0,0]=2 223 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,0,1,0,0,0|2,0,0]=3 224 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,0,1,0,0,0|2,0,1]=4 225 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,0,1,0,0,0|0,0,0]=1 226 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,0,1,0,0,0|1,0,0]=2 227 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,0,1,0,0,0|1,0,0]=2 228 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,0,1,0,0,0|2,0,0]=3 229 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,0,1,0,0,0|1,0,1]=3 230 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,0,1,0,0,0|0,1,0]=2 231 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,0,1,0,0,0|2,0,0]=3 232 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [0,0,1,0,0,0|3,0,0]=4 233 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,0,1,0,0,0|2,0,0]=3 234 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,0,1,0,0,0|2,0,0]=3 235 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [0,0,1,0,0,0|3,0,0]=4 236 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [0,0,1,0,0,0|3,0,0]=4 237 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [0,0,1,0,0,0|3,0,0]=4 238 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,0,1,0,0,0|2,0,0]=3 239 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,0,1,0,0,0|2,0,0]=3 240 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,0,1,0,0,0|2,0,0]=3 241 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [0,0,1,0,0,0|3,0,0]=4 242 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,0,1,0,0,0|2,0,0]=3 243 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,0,1,0,0,0|2,0,1]=4 244 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,0,1,0,0,0|2,0,0]=3 245 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [0,0,1,0,0,0|3,0,0]=4 246 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [0,0,1,0,0,0|3,0,0]=4 247 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,0,1,0,0,0|2,0,0]=3 248 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,0,1,0,0,0|2,0,1]=4 249 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,0,1,0,0,0|1,0,1]=3 250 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,0,1,0,0,0|1,1,1]=4 251 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,0,1,0,0,0|3,0,0]=4 252 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,0,1,0,0,0|3,0,0]=4 253 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,0,1,0,0,0|3,0,0]=4 254 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,0,1,0,0,0|2,1,0]=4 255 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,0,1,0,0,0|2,0,1]=4 256 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [0,0,1,0,0,0|1,1,1]=4 257 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,0,1,0,0,0|2,0,1]=4 258 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,0,1,0,0,0|3,0,0]=4 259 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [0,0,1,0,0,0|1,0,1]=3 260 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [0,0,1,0,0,0|1,0,1]=3 261 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,0,1,0,0,0|1,0,0]=2 262 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [0,0,1,0,0,0|1,0,0]=2 263 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [0,0,1,0,0,0|2,0,0]=3 264 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [0,0,1,0,0,0|0,0,0]=1 265 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,0,1,0,0,0|1,0,2]=4 266 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,0,1,0,0,0|0,1,2]=4 267 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [0,0,1,0,0,0|2,0,1]=4 268 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [0,0,1,0,0,0|1,1,1]=4 269 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [0,0,1,0,0,0|2,1,0]=4 270 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [0,0,1,0,0,0|1,1,0]=3 271 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [0,0,1,0,0,0|3,0,0]=4 272 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [0,0,1,0,0,0|1,0,0]=2 273 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [0,0,1,0,0,0|2,0,1]=4 274 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [0,0,1,0,0,0|1,0,1]=3 275 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [0,0,1,0,0,0|3,0,0]=4 276 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [0,0,1,0,0,0|2,0,0]=3 277 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [0,0,1,0,0,0|2,0,0]=3 278 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [0,0,1,0,0,0|2,0,0]=3 279 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [0,0,1,0,0,0|3,0,0]=4 280 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [0,0,1,0,0,0|3,0,0]=4 281 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [0,0,1,0,0,0|2,0,0]=3 282 B10R1.20 N#CC1=CC=CC=C1CBr CNP0046063.0 [0,0,1,0,0,0|2,0,1]=4 283 B10R1.20 O=CC1=CC=CC=C1C=O CNP0478589.0 [0,0,1,0,0,0|0,0,2]=3 284 B10R1.20 SCC1=CC=CC=C1CS CNP0028178.0 [0,0,1,0,0,0|0,2,1]=4 285 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,0,1,0,0,0|2,0,0]=3 286 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,0,1,0,0,0|1,0,0]=2 287 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,0,1,0,0,0|2,0,0]=3 288 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,0,1,0,0,0|2,0,0]=3 289 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,0,1,0,0,0|2,0,0]=3 290 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,0,1,0,0,0|2,0,0]=3 291 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,0,1,0,0,0|2,0,0]=3 292 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,0,1,0,0,0|3,0,0]=4 293 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,0,1,0,0,0|1,0,0]=2 294 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,0,1,0,0,0|0,0,0]=1 295 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,0,1,0,0,0|2,0,1]=4 296 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [0,0,1,0,0,0|2,0,0]=3 297 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,0,1,0,0,0|1,0,0]=2 298 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,0,1,0,0,0|1,0,0]=2 299 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [0,0,1,0,0,0|1,0,1]=3 300 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [0,0,1,0,0,0|1,0,1]=3 301 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [0,0,1,0,0,0|1,0,1]=3 302 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,0,1,0,0,0|2,0,0]=3 303 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,0,1,0,0,0|2,0,0]=3 304 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,0,1,0,0,0|2,0,0]=3 305 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [0,0,1,0,0,0|3,0,0]=4 306 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [0,0,1,0,0,0|3,0,0]=4 307 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,0,1,0,0,0|1,0,0]=2 308 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [0,0,1,0,0,0|2,0,1]=4 309 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,0,1,0,0,0|1,0,0]=2 310 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,0,1,0,0,0|1,0,0]=2 311 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,0,1,0,0,0|1,0,0]=2 312 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,0,1,0,0,0|1,0,0]=2 313 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,0,1,0,0,0|1,0,0]=2 314 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [0,0,1,0,0,0|2,0,0]=3 315 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [0,0,1,0,0,0|2,0,0]=3 316 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [0,0,1,0,0,0|2,0,0]=3 317 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [0,0,1,0,0,0|2,0,0]=3 318 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [0,0,1,0,0,0|2,0,0]=3 319 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,0,1,0,0,0|2,0,0]=3 320 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,0,1,0,0,0|1,0,1]=3 321 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,0,1,0,0,0|1,0,1]=3 322 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,0,1,0,0,0|1,0,1]=3 323 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,0,1,0,0,0|1,0,1]=3 324 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [0,0,1,0,0,0|2,0,1]=4 325 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [0,0,1,0,0,0|2,0,0]=3 326 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [0,0,0,0,1,0|2,0,0]=3 327 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,0,1,0|1,0,1]=3 328 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,0,1,0|1,0,1]=3 329 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,0,0,0,1,0|1,0,1]=3 330 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,0,0,0,1,0|1,0,1]=3 331 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,0,0,0,1,0|1,0,1]=3 332 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,0,0,0,1,0|1,0,1]=3 333 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,0,0,0,1,0|0,0,0]=1 334 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,0,0,0,1,0|0,0,2]=3 335 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,0,0,0,1,0|0,0,2]=3 336 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [0,0,0,0,0,1|2,0,1]=4 337 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [0,0,0,0,0,1|2,0,1]=4 338 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [0,0,0,0,0,1|2,0,1]=4 339 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [0,0,0,0,0,1|3,0,0]=4 340 B12R2.24 CC1=CN=C2C=CC=CC2=N1 CNP0280946.0 [0,0,0,0,0,1|3,0,0]=4 341 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,0,0,0,0,1|3,0,0]=4 342 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 CNP0033055.0 [0,0,0,0,0,1|2,0,1]=4 343 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [0,0,0,0,0,1|2,0,1]=4 344 B12R2.24 NC1=CC=C2C=CC=CC2=N1 CNP0246278.0 [0,0,0,0,0,1|2,0,1]=4 345 B12R2.24 NC1=CN=C2C=CC=CC2=C1 CNP0222196.0 [0,0,0,0,0,1|3,0,0]=4 346 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,0,0,1|1,0,1]=3 347 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,0,0,0,0,1|1,0,1]=3 348 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,0,0,0,0,1|1,0,1]=3 349 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,0,0,1|0,0,0]=1 350 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,0,0,1|1,0,0]=2 351 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,0,0,1|1,0,0]=2 352 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,0,0,1|1,0,0]=2 353 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,0,0,0,0,1|2,0,0]=3 354 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,0,0,1|2,0,0]=3 355 B12R2.24 O=C1CSC2=NC=CC=C2N1 CNP0047542.0 [0,0,0,0,0,1|3,0,0]=4 356 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,0,0,0,0,1|1,0,1]=3 357 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [0,0,0,0,0,1|1,0,2]=4 358 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [0,0,0,0,0,1|1,0,2]=4 359 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [0,0,0,0,0,1|2,0,1]=4 360 B12R2.24 OC1=NC=C2C=CC=CC2=N1 CNP0582642.0 [0,0,0,0,0,1|1,0,2]=4 361 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [0,0,0,0,0,1|1,1,1]=4 362 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [0,0,0,0,0,1|2,0,1]=4 363 B12R2.586 O=C1CCC2=C1NCCC=C2 CNP0002631.0 [0,0,0,0,0,1|1,0,2]=4 364 B12R2.586 OC1=CC=C2C1=CC=CC=C2 CNP0566607.0 [0,0,0,0,0,1|1,0,2]=4 365 B12R2.1081 C=C1C=C[CH]C2=CC=CC=C12 CNP0546671.0 [0,0,0,0,0,1|2,0,1]=4 366 B12R2.1081 CC1=CC=CC2=CC=CC=C12 CNP0115105.0 [0,0,0,0,0,1|2,0,1]=4 367 B12R2.1081 CC1=CC=NC2=CC=CC=C12 CNP0138798.0 [0,0,0,0,0,1|2,0,1]=4 368 B12R2.1081 CC1=CN=NC2=CC=CC=C12 CNP0290464.0 [0,0,0,0,0,1|3,0,0]=4 369 B12R2.1081 CC1=NC=CC2=CC=CC=C12 CNP0255450.0 [0,0,0,0,0,1|2,0,1]=4 370 B12R2.1081 CC1=NC=NC2=CC=CC=C12 CNP0159497.0 [0,0,0,0,0,1|2,0,1]=4 371 B12R2.1081 CN1C=CCC2=CC=CC=C12 CNP0162060.0 [0,0,0,0,0,1|3,0,0]=4 372 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CNP0232039.0 [0,0,0,0,0,1|2,0,1]=4 373 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CNP0117074.0 [0,0,0,0,0,1|2,0,1]=4 374 B12R2.1081 NC1=NC=NC2=CC=CC=C12 CNP0045001.0 [0,0,0,0,0,1|2,0,1]=4 375 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CNP0216865.0 [0,0,0,0,0,1|1,0,1]=3 376 B12R2.1081 O=C1C=COC2=CC=CC=C12 CNP0132668.0 [0,0,0,0,0,1|1,0,1]=3 377 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,0,0,0,0,1|1,0,0]=2 378 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,0,0,0,0,1|1,0,0]=2 379 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,0,0,0,0,1|1,0,0]=2 380 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,0,0,0,0,1|0,0,0]=1 381 B12R2.1081 O=C1N=CNC2=CC=CC=C12 CNP0539981.0 [0,0,0,0,0,1|1,0,1]=3 382 B12R2.1081 O=C1NC=CC2=CC=CC=C12 CNP0530117.0 [0,0,0,0,0,1|1,0,1]=3 383 B12R2.1081 O=C1NC=NC2=CC=CC=C12 CNP0490983.0 [0,0,0,0,0,1|1,0,1]=3 384 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,0,0,0,0,1|1,0,0]=2 385 B12R2.1081 O=C1OC=CC2=CC=CC=C12 CNP0123677.0 [0,0,0,0,0,1|0,0,1]=2 386 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,0,0,0,0,1|0,0,0]=1 387 B12R2.1081 O=C1OCCC2=CC=NC=C12 CNP0118387.0 [0,0,0,0,0,1|1,0,0]=2 388 B12R2.1081 O=C1O[Bi]OC2=CC=CC=C12 CNP0547190.0 [0,0,0,0,0,1|1,0,0]=2 389 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CNP0302215.0 [0,0,0,0,0,1|1,0,2]=4 390 B12R2.1081 OC1=CC=NC2=CC=CC=C12 CNP0508656.0 [0,0,0,0,0,1|1,0,2]=4 391 B12R2.1081 OC1=NC=NC2=CC=CC=C12 CNP0201692.0 [0,0,0,0,0,1|1,0,2]=4 392 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,0,0,0,0,1|1,0,1]=3 393 B12R2.1081 O[C@@H]1CCOC2=CC=CC=C12 CNP0196291.1 [0,0,0,0,0,1|1,0,2]=4 394 B12R2.1081 [CH2]C1=CC=CC2=CC=CC=C12 CNP0547790.0 [0,0,0,0,0,1|2,0,1]=4 395 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,1,0,0,0|1,0,0]=3 396 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,1,0,0,0|2,0,0]=4 397 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,1,0,0,0|0,0,0]=2 398 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,1,0,0,0|1,0,0]=3 399 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,1,0,0,0|1,0,0]=3 400 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,1,0,0,0|1,0,0]=3 401 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,0,1,0,0,0|2,0,0]=4 402 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,1,0,0,0|1,0,1]=4 403 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,1,0,0,0|2,0,0]=4 404 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,1,0,0,0|1,0,1]=4 405 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,1,0,0,0|0,0,2]=4 406 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,1,0,0,0|1,0,1]=4 407 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,1,0,0,0|0,0,2]=4 408 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,1,0,0,0|1,0,1]=4 409 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,1,0,0,0|2,0,0]=4 410 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,1,0,0,0|1,0,0]=3 411 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,0,1,0,0,0|2,0,0]=4 412 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [1,0,1,0,0,0|2,0,0]=4 413 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [1,0,1,0,0,0|2,0,0]=4 414 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,0,1,0,0,0|2,0,0]=4 415 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [1,0,1,0,0,0|2,0,0]=4 416 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [1,0,1,0,0,0|2,0,0]=4 417 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,1,0,0,0|0,0,0]=2 418 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,1,0,0,0|1,0,0]=3 419 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,1,0,0,0|1,0,0]=3 420 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,0,1,0,0,0|1,0,0]=3 421 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,0,1,0,0,0|2,0,0]=4 422 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,1,0,0,0|0,1,0]=3 423 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,1,0,0,0|0,0,1]=3 424 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,1,0,0,0|0,0,1]=3 425 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,1,0,0,0|0,0,1]=3 426 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,0,1,0,0,0|1,0,1]=4 427 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [1,0,1,0,0,0|1,0,1]=4 428 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,1,0,0,0|1,0,0]=3 429 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,0,1,0,0,0|1,0,1]=4 430 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,0,1,0,0,0|1,0,0]=3 431 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,0,1,0,0,0|1,0,0]=3 432 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,0,1,0,0,0|1,0,0]=3 433 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,0,1,0,0,0|1,0,1]=4 434 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,1,0,0,0|1,0,0]=3 435 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,1,0,0,0|1,0,0]=3 436 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,1,0,0,0|1,1,0]=4 437 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,1,0,0,0|1,0,0]=3 438 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,1,0,0,0|2,0,0]=4 439 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,1,0,0,0|1,0,1]=4 440 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,1,0,0,0|2,0,0]=4 441 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,1,0,0,0|1,0,1]=4 442 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,1,0,0,0|1,0,1]=4 443 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,1,0,0,0|0,0,1]=3 444 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,1,0,0,0|0,1,1]=4 445 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,1,0,0,0|1,1,0]=4 446 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,1,0,0,0|1,0,1]=4 447 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,1,0,0,0|1,0,1]=4 448 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,1,0,0,0|1,0,1]=4 449 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,1,0,0,0|2,0,0]=4 450 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,1,0,0,0|0,0,0]=2 451 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,1,0,0,0|1,0,0]=3 452 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,1,0,0,0|0,0,0]=2 453 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,1,0,0,0|0,1,1]=4 454 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,1,0,0,0|0,0,2]=4 455 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,1,0,0,0|2,0,0]=4 456 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,1,0,0,0|0,1,1]=4 457 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,1,0,0,0|0,1,1]=4 458 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,0,1,0,0,0|1,0,0]=3 459 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,0,1,0,0,0|1,0,0]=3 460 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,0,1,0,0,0|1,0,1]=4 461 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,0,1,0,0,0|0,0,0]=2 462 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,0,1,0,0,0|1,0,1]=4 463 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,0,1,0,0,0|0,0,1]=3 464 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,0,1,0,0,0|1,0,0]=3 465 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [1,0,1,0,0,0|2,0,0]=4 466 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [1,0,1,0,0,0|1,0,1]=4 467 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,0,1,0,0,0|2,0,0]=4 468 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,0,1,0,0,0|1,0,1]=4 469 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,0,1,0,0,0|2,0,0]=4 470 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,0,1,0,0,0|1,0,1]=4 471 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,0,1,0,0,0|1,1,0]=4 472 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,0,1,0,0,0|2,0,0]=4 473 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,0,1,0,0,0|2,0,0]=4 474 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,0,1,0,0,0|2,0,0]=4 475 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,0,1,0,0,0|1,0,0]=3 476 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,0,1,0,0,0|1,0,0]=3 477 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,0,1,0,0,0|1,0,1]=4 478 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [1,0,1,0,0,0|1,0,1]=4 479 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,0,1,0,0,0|1,0,0]=3 480 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,0,1,0,0,0|0,0,0]=2 481 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,0,1,0,0,0|0,0,1]=3 482 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,0,1,0,0,0|1,1,0]=4 483 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,0,1,0,0,0|2,0,0]=4 484 B9R1.103 C1=CC=CSC=CC=C1 CNP0542373.0 [1,0,1,0,0,0|0,1,1]=4 485 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,1,1,0,0,0|1,0,0]=3 486 B11R1.12 COC(=NO)C1=CC=CC=C1 CNP0557037.0 [0,1,1,0,0,0|0,0,1]=3 487 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [0,1,1,0,0,0|0,0,2]=4 488 B11R1.12 COP(OC)C1=CC=CC=C1 CNP0049160.0 [0,1,1,0,0,0|1,0,1]=4 489 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [0,1,1,0,0,0|1,0,1]=4 490 B11R1.12 CO[PH](OC)C1=CC=CC=C1 CNP0522233.0 [0,1,1,0,0,0|1,0,1]=4 491 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,1,1,0,0,0|0,0,1]=3 492 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,1,1,0,0,0|1,0,0]=3 493 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,1,1,0,0,0|1,1,0]=4 494 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,1,1,0,0,0|0,0,0]=2 495 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,1,1,0,0,0|1,0,0]=3 496 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,1,1,0,0,0|1,0,0]=3 497 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,1,1,0,0,0|1,0,1]=4 498 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,1,1,0,0,0|1,0,0]=3 499 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,1,1,0,0,0|0,0,0]=2 500 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,1,1,0,0,0|1,0,1]=4 501 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 CNP0536203.0 [0,1,1,0,0,0|1,0,1]=4 502 B11R1.16 O=C(NCO)C1=CC=CN=C1 CNP0259715.0 [0,1,1,0,0,0|2,0,0]=4 503 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,1,1,0,0,0|1,0,1]=4 504 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,1,1,0,0,0|2,0,0]=4 505 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,1,1,0,0,0|1,0,0]=3 506 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,1,1,0,0,0|1,0,0]=3 507 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,1,1,0,0,0|1,0,0]=3 508 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,1,1,0,0,0|0,0,0]=2 509 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,1,1,0,0,0|0,0,0]=2 510 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,1,1,0,0,0|0,0,0]=2 511 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [0,1,1,0,0,0|1,0,0]=3 512 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,1,1,0,0,0|1,0,1]=4 513 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [0,1,1,0,0,0|2,0,0]=4 514 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [0,1,1,0,0,0|2,0,0]=4 515 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,1,1,0,0,0|2,0,0]=4 516 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,1,1,0,0,0|2,0,0]=4 517 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [0,1,1,0,0,0|2,0,0]=4 518 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,1,1,0,0,0|2,0,0]=4 519 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [0,1,1,0,0,0|1,0,0]=3 520 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [0,1,1,0,0,0|0,0,0]=2 521 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [0,1,1,0,0,0|0,0,0]=2 522 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [0,1,1,0,0,0|0,0,0]=2 523 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [0,1,1,0,0,0|0,0,0]=2 524 B11R1.23 NNC(=O)C1=CC=CC(=C1)Br CNP0017923.0 [0,1,1,0,0,0|2,0,0]=4 525 B11R1.23 NNC(=O)C1=CC=CC(=C1)N CNP0088265.0 [0,1,1,0,0,0|2,0,0]=4 526 B11R1.23 NNC(=O)C1=CC=CC(=C1)O CNP0218227.0 [0,1,1,0,0,0|2,0,0]=4 527 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,1,0,0,0|1,0,0]=3 528 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [0,1,1,0,0,0|1,0,0]=3 529 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 CNP0492975.0 [0,1,1,0,0,0|2,0,0]=4 530 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [0,1,1,0,0,0|1,1,0]=4 531 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [0,1,1,0,0,0|1,0,0]=3 532 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [0,1,1,0,0,0|1,0,0]=3 533 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,1,1,0,0,0|2,0,0]=4 534 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [0,1,1,0,0,0|2,0,0]=4 535 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,1,1,0,0,0|2,0,0]=4 536 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,1,1,0,0,0|2,0,0]=4 537 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,1,1,0,0,0|1,0,0]=3 538 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,1,1,0,0,0|0,0,0]=2 539 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,1,1,0,0,0|0,0,0]=2 540 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,1,1,0,0,0|0,0,0]=2 541 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [0,1,1,0,0,0|1,0,0]=3 542 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [0,1,1,0,0,0|1,0,0]=3 543 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [0,1,1,0,0,0|2,0,0]=4 544 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [0,1,1,0,0,0|2,0,0]=4 545 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,1,1,0,0,0|0,0,0]=2 546 B11R1.75 O=C(O)C=CC1=CC(=O)CC1 CNP0224386.0 [0,1,1,0,0,0|2,0,0]=4 547 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,1,1,0,0,0|2,0,0]=4 548 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [0,1,1,0,0,0|1,0,1]=4 549 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,1,1,0,0,0|2,0,0]=4 550 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,1,1,0,0,0|1,0,1]=4 551 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [0,1,1,0,0,0|1,0,1]=4 552 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,1,1,0,0,0|1,0,0]=3 553 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [0,1,1,0,0,0|0,0,0]=2 554 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,1,1,0,0,0|1,0,1]=4 555 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [0,1,1,0,0,0|1,0,1]=4 556 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [0,1,1,0,0,0|2,0,0]=4 557 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [0,1,1,0,0,0|1,0,0]=3 558 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,1,1,0,0,0|2,0,0]=4 559 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,1,1,0,0,0|1,0,1]=4 560 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [0,1,1,0,0,0|1,0,0]=3 561 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [0,1,1,0,0,0|0,0,0]=2 562 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [0,1,1,0,0,0|1,0,1]=4 563 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [0,1,1,0,0,0|1,1,0]=4 564 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,1,1,0,0,0|1,0,1]=4 565 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [0,1,1,0,0,0|2,0,0]=4 566 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,1,0,0,0|1,0,0]=3 567 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,1,1,0,0,0|1,0,0]=3 568 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,1,1,0,0,0|1,0,0]=3 569 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,1,1,0,0,0|1,0,0]=3 570 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,1,1,0,0,0|1,0,0]=3 571 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,1,1,0,0,0|1,0,1]=4 572 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,1,1,0,0,0|2,0,0]=4 573 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,1,1,0,0,0|1,0,1]=4 574 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,1,1,0,0,0|1,0,0]=3 575 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,1,1,0,0,0|0,0,0]=2 576 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,1,1,0,0,0|1,0,0]=3 577 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,1,1,0,0,0|1,0,1]=4 578 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,1,1,0,0,0|1,0,0]=3 579 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,1,1,0,0,0|2,0,0]=4 580 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,1,1,0,0,0|1,0,0]=3 581 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [0,1,1,0,0,0|2,0,0]=4 582 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,1,1,0,0,0|1,1,0]=4 583 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,1,1,0,0,0|1,0,1]=4 584 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,1,1,0,0,0|1,0,0]=3 585 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,1,1,0,0,0|1,0,1]=4 586 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,1,1,0,0,0|1,0,1]=4 587 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,1,1,0,0,0|1,0,0]=3 588 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,1,1,0,0,0|2,0,0]=4 589 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,1,1,0,0,0|2,0,0]=4 590 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,1,1,0,0,0|1,0,0]=3 591 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,1,1,0,0,0|2,0,0]=4 592 B11R1.37 CCC1=CC=C(C=C1CO)C CNP0299444.0 [0,1,1,0,0,0|1,0,1]=4 593 B11R1.37 COC1=CC(=CC=C1C=O)O CNP0328475.0 [0,1,1,0,0,0|2,0,0]=4 594 B11R1.37 COC1=CC=C(C=C1C=O)O CNP0214934.0 [0,1,1,0,0,0|2,0,0]=4 595 B11R1.41 C=CC1=CN=CC=C1CCO CNP0267884.0 [0,1,1,0,0,0|2,0,0]=4 596 B11R1.41 CCOC1=CC=CC=C1C=O CNP0187800.0 [0,1,1,0,0,0|1,0,0]=3 597 B11R1.41 COC1=CC=CC=C1CCO CNP0135812.0 [0,1,1,0,0,0|2,0,0]=4 598 B11R1.41 O=CCC1=CC=CC=C1N=O CNP0200074.0 [0,1,1,0,0,0|1,0,1]=4 599 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [0,1,1,0,0,0|1,0,0]=3 600 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [0,1,1,0,0,0|1,0,0]=3 601 B11R1.53 CC(C)C1=CC=CC=C1C=O CNP0492852.0 [0,1,1,0,0,0|1,0,0]=3 602 B11R1.53 CC(O)C1=CC=CC=C1CO CNP0540507.0 [0,1,1,0,0,0|0,0,2]=4 603 B11R1.53 CCC1=NC=CC=C1C(=O)N CNP0233596.0 [0,1,1,0,0,0|2,0,0]=4 604 B11R1.53 CN(C)C1=CC=CC=C1CO CNP0418258.0 [0,1,1,0,0,0|2,0,0]=4 605 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [0,1,1,0,0,0|2,0,0]=4 606 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [0,1,1,0,0,0|2,0,0]=4 607 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [0,1,1,0,0,0|2,0,0]=4 608 B11R1.53 NC(=O)C1=CC=CC=C1NO CNP0577643.0 [0,1,1,0,0,0|1,0,0]=3 609 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [0,1,1,0,0,0|0,0,0]=2 610 B11R1.53 O=C(O)C1=CC=CC=C1NO CNP0085034.0 [0,1,1,0,0,0|1,0,0]=3 611 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [0,1,1,0,0,0|0,0,1]=3 612 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [0,1,1,0,0,0|1,0,1]=4 613 B11R1.265 COC1=CC=CC(=C1C=O)C CNP0303374.0 [0,1,1,0,0,0|2,0,0]=4 614 B11R1.265 O=CC1=CC=CC(=C1C=O)O CNP0288393.0 [0,1,1,0,0,0|0,0,2]=4 615 B11R1.87 CC1=CC=CC=C1S(=O)(=O)N CNP0258970.0 [0,1,1,0,0,0|1,0,1]=4 616 B11R1.87 CC1=CC=NC=C1S(=O)(=O)O CNP0476444.0 [0,1,1,0,0,0|2,0,0]=4 617 B11R1.87 C[P@@](=O)(O)C1=CC=CC=C1O CNP0454510.1 [0,1,1,0,0,0|2,0,0]=4 618 B11R1.87 O=P(O)(O)C1=CC=CC=C1O CNP0471602.0 [0,1,1,0,0,0|2,0,0]=4 619 B11R1.87 O=S(=O)(O)C1=CC=CC=C1O CNP0450543.0 [0,1,1,0,0,0|2,0,0]=4 620 B11R1.156 C=C(C)C1=C(C=CC=C1O)C CNP0547985.0 [0,1,1,0,0,0|2,0,0]=4 621 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [0,1,1,0,0,0|1,0,0]=3 622 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [0,1,1,0,0,0|2,0,0]=4 623 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CNP0307151.0 [0,1,1,0,0,0|1,0,0]=3 624 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [0,1,1,0,0,0|0,0,0]=2 625 B11R1.156 CC1=CC=CC(=C1C(=O)O)N CNP0474196.0 [0,1,1,0,0,0|0,0,0]=2 626 B11R1.156 CC1=CC=CC(=C1C(=O)O)O CNP0206449.0 [0,1,1,0,0,0|0,0,0]=2 627 B11R1.156 NC(=O)C1=C(C=CC=C1Cl)Cl CNP0189889.0 [0,1,1,0,0,0|2,0,0]=4 628 B11R1.156 O=C(O)C1=C(C=CC=C1O)O CNP0200151.0 [0,1,1,0,0,0|1,0,0]=3 629 B11R1.156 O=C(O)C1=C(C=CN=C1O)O CNP0335084.0 [0,1,1,0,0,0|2,0,0]=4 630 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [0,1,1,0,0,0|2,0,0]=4 631 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,1,1,0,0,0|2,0,0]=4 632 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [0,1,1,0,0,0|1,0,0]=3 633 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [0,1,1,0,0,0|1,0,0]=3 634 B11R1.159 NC(=O)C1=CC=CC(=C1N)O CNP0129939.0 [0,1,1,0,0,0|2,0,0]=4 635 B11R1.159 NC(=O)C1=CC=CC(=C1O)O CNP0115939.0 [0,1,1,0,0,0|2,0,0]=4 636 B11R1.159 NC1=C(C=CC=C1C(=O)O)Cl CNP0150804.0 [0,1,1,0,0,0|1,0,0]=3 637 B11R1.159 NC1=C(C=CC=C1C(=O)O)O CNP0324729.0 [0,1,1,0,0,0|1,0,0]=3 638 B11R1.159 NC1=CC=CC(=C1N)C(=O)O CNP0140316.0 [0,1,1,0,0,0|1,0,0]=3 639 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [0,1,1,0,0,0|1,0,0]=3 640 B11R1.159 O=C(O)C1=C(C(=O)C=CN1)O CNP0608712.0 [0,1,1,0,0,0|2,0,0]=4 641 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [0,1,1,0,0,0|1,0,0]=3 642 B11R1.159 O=C(O)C1=CC=CC(=O)C1=O CNP0189448.0 [0,1,1,0,0,0|1,0,0]=3 643 B11R1.159 O=C(O)C1=NC=CC(=C1O)O CNP0146283.0 [0,1,1,0,0,0|2,0,0]=4 644 B11R1.159 O=C([O-])C1=CC=CC(=C1O)O CNP0535153.0 [0,1,1,0,0,0|1,0,1]=4 645 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,1,1,0,0,0|1,0,0]=3 646 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,1,1,0,0,0|1,0,0]=3 647 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,1,1,0,0,0|2,0,0]=4 648 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,1,1,0,0,0|2,0,0]=4 649 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,1,1,0,0,0|2,0,0]=4 650 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,1,1,0,0,0|0,0,0]=2 651 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])N CNP0541671.0 [0,1,1,0,0,0|1,0,1]=4 652 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O CNP0491726.0 [0,1,1,0,0,0|2,0,0]=4 653 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,1,1,0,0,0|1,0,0]=3 654 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,1,1,0,0,0|0,0,0]=2 655 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,1,1,0,0,0|2,0,0]=4 656 B11R1.166 CC1=NC(=NC=C1C(=O)O)N CNP0397736.0 [0,1,1,0,0,0|2,0,0]=4 657 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl CNP0526880.0 [0,1,1,0,0,0|2,0,0]=4 658 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [0,1,1,0,0,0|2,0,0]=4 659 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [0,1,1,0,0,0|1,0,0]=3 660 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [0,1,1,0,0,0|1,0,0]=3 661 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [0,1,1,0,0,0|2,0,0]=4 662 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [0,1,1,0,0,0|1,0,0]=3 663 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,1,1,0,0,0|1,0,0]=3 664 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Cl CNP0609125.0 [0,1,1,0,0,0|2,0,0]=4 665 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,1,1,0,0,0|2,0,0]=4 666 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,1,1,0,0,0|2,0,0]=4 667 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,1,1,0,0,0|2,0,0]=4 668 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [0,1,1,0,0,0|1,0,0]=3 669 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,1,1,0,0,0|0,0,0]=2 670 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C CNP0535896.0 [0,1,1,0,0,0|1,0,1]=4 671 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,1,1,0,0,0|0,0,0]=2 672 B11R1.167 CC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0495474.0 [0,1,1,0,0,0|1,0,1]=4 673 B11R1.167 CC1=CC=[N+](C=C1C(=O)N)[O-] CNP0497301.0 [0,1,1,0,0,0|2,0,0]=4 674 B11R1.167 CC1=CC=[N+](C=C1C(=O)O)[O-] CNP0577851.0 [0,1,1,0,0,0|1,0,0]=3 675 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [0,1,1,0,0,0|1,0,0]=3 676 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [0,1,1,0,0,0|1,0,0]=3 677 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [0,1,1,0,0,0|1,0,0]=3 678 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Cl CNP0350104.0 [0,1,1,0,0,0|2,0,0]=4 679 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [1,1,0,0,0,0|2,0,0]=4 680 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [1,1,0,0,0,0|2,0,0]=4 681 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [1,1,0,0,0,0|2,0,0]=4 682 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [1,1,0,0,0,0|2,0,0]=4 683 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [1,1,0,0,0,0|2,0,0]=4 684 B11R2.10 ClC1=CC2=CC=CC=C2N1 CNP0429411.0 [1,1,0,0,0,0|2,0,0]=4 685 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [1,1,0,0,0,0|2,0,0]=4 686 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [1,1,0,0,0,0|2,0,0]=4 687 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [1,1,0,0,0,0|2,0,0]=4 688 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [1,1,0,0,0,0|2,0,0]=4 689 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [1,1,0,0,0,0|1,0,0]=3 690 B11R2.36 BrC1=CC=C2NC=CC2=C1 CNP0397727.0 [1,1,0,0,0,0|2,0,0]=4 691 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [1,1,0,0,0,0|2,0,0]=4 692 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [1,1,0,0,0,0|1,0,1]=4 693 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [1,1,0,0,0,0|2,0,0]=4 694 B11R2.36 N=C1C=C2NOC=C2C=N1 CNP0334214.0 [1,1,0,0,0,0|2,0,0]=4 695 B11R2.36 N=C1C=CC2=NONC2=C1 CNP0242803.0 [1,1,0,0,0,0|2,0,0]=4 696 B11R2.36 N=C1C=NC2=CONC2=C1 CNP0000889.0 [1,1,0,0,0,0|2,0,0]=4 697 B11R2.36 NC1=CC2=CON=C2C=N1 CNP0246112.0 [1,1,0,0,0,0|2,0,0]=4 698 B11R2.36 NC1=CC2=CON=C2N=C1 CNP0094943.0 [1,1,0,0,0,0|2,0,0]=4 699 B11R2.36 NC1=CC2=NOC=C2C=N1 CNP0318158.0 [1,1,0,0,0,0|2,0,0]=4 700 B11R2.36 NC1=CC2=NOC=C2N=C1 CNP0398247.0 [1,1,0,0,0,0|2,0,0]=4 701 B11R2.36 NC1=CC2=NON=C2C=C1 CNP0115770.0 [1,1,0,0,0,0|2,0,0]=4 702 B11R2.36 NC1=NC2=CON=C2C=C1 CNP0056270.0 [1,1,0,0,0,0|2,0,0]=4 703 B11R2.36 NC1=NC2=NOC=C2C=C1 CNP0001075.0 [1,1,0,0,0,0|2,0,0]=4 704 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [1,1,0,0,0,0|2,0,0]=4 705 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [1,1,0,0,0,0|1,0,0]=3 706 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [1,1,0,0,0,0|1,0,1]=4 707 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [1,1,0,0,0,0|2,0,0]=4 708 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [1,1,0,0,0,0|2,0,0]=4 709 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [1,1,0,0,0,0|2,0,0]=4 710 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [1,1,0,0,0,0|2,0,0]=4 711 B11R2.106 CC1=CC=CC2=C1C=CC2 CNP0382837.0 [1,1,0,0,0,0|1,0,0]=3 712 B11R2.106 CC1=CC=CC2=C1C=CN2 CNP0104005.0 [1,1,0,0,0,0|2,0,0]=4 713 B11R2.106 CC1=CC=CC2=C1C=CO2 CNP0141148.0 [1,1,0,0,0,0|2,0,0]=4 714 B11R2.106 CC1=CC=CC2=C1CCC2 CNP0306723.0 [1,1,0,0,0,0|1,0,1]=4 715 B11R2.106 CC1=CC=CC2=C1NC=C2 CNP0319116.0 [1,1,0,0,0,0|2,0,0]=4 716 B11R2.106 N=C1C=CC=C2C1=NON2 CNP0039329.0 [1,1,0,0,0,0|2,0,0]=4 717 B11R2.106 N=C1C=CNC2=CON=C12 CNP0000940.0 [1,1,0,0,0,0|2,0,0]=4 718 B11R2.106 N=C1C=CNC2=NOC=C12 CNP0015328.0 [1,1,0,0,0,0|2,0,0]=4 719 B11R2.106 N=C1C=NC=C2C1=CON2 CNP0000900.0 [1,1,0,0,0,0|2,0,0]=4 720 B11R2.106 N=C1N=CC=C2C1=CON2 CNP0009279.0 [1,1,0,0,0,0|2,0,0]=4 721 B11R2.106 NC1=CC=CC2=NON=C12 CNP0114901.0 [1,1,0,0,0,0|2,0,0]=4 722 B11R2.106 NC1=CC=NC2=CON=C12 CNP0414982.0 [1,1,0,0,0,0|2,0,0]=4 723 B11R2.106 NC1=CC=NC2=NOC=C12 CNP0275335.0 [1,1,0,0,0,0|2,0,0]=4 724 B11R2.106 NC1=CN=CC2=CON=C12 CNP0366155.0 [1,1,0,0,0,0|2,0,0]=4 725 B11R2.106 NC1=CN=CC2=NOC=C12 CNP0023254.0 [1,1,0,0,0,0|2,0,0]=4 726 B11R2.106 NC1=NC=CC2=CON=C12 CNP0184783.0 [1,1,0,0,0,0|2,0,0]=4 727 B11R2.106 NC1=NC=CC2=NOC=C12 CNP0001078.0 [1,1,0,0,0,0|2,0,0]=4 728 B11R2.106 OC1=CC=CC2=C1C=CN2 CNP0120975.0 [1,1,0,0,0,0|2,0,0]=4 729 B11R2.106 OC1=CC=CC2=C1C=CO2 CNP0278370.0 [1,1,0,0,0,0|2,0,0]=4 730 B11R2.106 OC1=CC=CC2=C1CCC2 CNP0204315.0 [1,1,0,0,0,0|1,0,1]=4 731 B11R2.8 O=C1C2=C(C[C@@H]1Br)SC=C2 CNP0063440.2 [0,1,0,0,1,0|2,0,0]=4 732 B11R2.8 O=C1C2=C(C[C@H]1Br)SC=C2 CNP0063440.1 [0,1,0,0,1,0|2,0,0]=4 733 B11R2.66 O=C1CCC2=C1C=C(S2)Cl CNP0193602.0 [0,1,0,0,1,0|2,0,0]=4 734 B11R2.67 CC1=C2C(=O)CCN2C=C1 CNP0301165.0 [0,1,0,0,1,0|2,0,0]=4 735 B11R2.191 N=NC1=C2C=CC=C2NO1 CNP0000570.0 [0,1,0,0,1,0|2,0,0]=4 736 B11R2.191 O=NC1=C2C=CC=C2NN1 CNP0031704.0 [0,1,0,0,1,0|2,0,0]=4 737 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [0,1,0,0,1,0|0,0,1]=3 738 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,1,0,0,1,0|0,0,0]=2 739 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,1,0,0,1,0|0,0,0]=2 740 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [0,1,0,0,1,0|1,0,1]=4 741 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,1,0,0,1,0|0,0,2]=4 742 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,1,0,0,1,0|0,0,2]=4 743 B11R2.59 ClC1(CC2=CC=CC=C12)Cl CNP0229981.0 [0,1,0,0,1,0|1,0,1]=4 744 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,1,0,0,1,0|0,0,0]=2 745 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,1,0,0,1,0|0,0,0]=2 746 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,1,0,0,1,0|0,0,0]=2 747 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [0,1,0,0,1,0|0,0,0]=2 748 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [0,1,0,0,1,0|0,0,0]=2 749 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,1,0,0,1,0|1,0,1]=4 750 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,1,0,0,1,0|1,0,1]=4 751 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [0,1,0,0,1,0|1,0,1]=4 752 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [0,1,0,0,1,0|1,0,1]=4 753 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,1,0,0,1,0|0,0,1]=3 754 B13R2.32 CN1C(=O)C=CC2=CC=CC=C12 CNP0123557.0 [0,1,0,0,0,1|1,0,1]=4 755 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O CNP0033512.0 [0,1,0,0,0,1|1,0,1]=4 756 B13R2.32 O=C1COC2=CC=CC=C2N1O CNP0252582.0 [0,1,0,0,0,1|2,0,0]=4 757 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 CNP0376757.0 [0,1,0,0,0,1|2,0,0]=4 758 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CNP0393707.0 [0,1,0,0,0,1|1,0,1]=4 759 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 CNP0053708.0 [0,1,0,0,0,1|1,0,1]=4 760 B13R2.155 NC1=CC=C2C=CC(=O)NC2=C1 CNP0167186.0 [0,1,0,0,0,1|1,0,1]=4 761 B13R2.155 O=C1C=CC2=CC=C(C=C2O1)O CNP0291283.0 [0,1,0,0,0,1|1,0,1]=4 762 B13R2.155 O=C1CCC2=CC=C(C=C2O1)O CNP0221407.0 [0,1,0,0,0,1|1,0,0]=3 763 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)O CNP0290938.0 [0,1,0,0,0,1|1,0,1]=4 764 B13R2.162 O=C1C=CC2=CC=CC(=C2O1)O CNP0166688.0 [0,1,0,0,0,1|1,0,1]=4 765 B13R2.162 O=C1CCC2=CC=CC(=C2N1)O CNP0075698.0 [0,1,0,0,0,1|1,0,0]=3 766 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 CNP0579434.0 [0,1,0,0,0,1|1,0,1]=4 767 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 CNP0027289.0 [0,1,0,0,0,1|1,0,1]=4 768 B13R2.328 CC1=CC2=CC=CC=C2C(=O)O1 CNP0424914.0 [0,1,0,0,0,1|1,0,1]=4 769 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 CNP0418101.0 [0,1,0,0,0,1|1,0,1]=4 770 B13R2.328 C[C@@H]1NC(=O)CC2=CC=NC=C12 CNP0192183.1 [0,1,0,0,0,1|2,0,0]=4 771 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 CNP0024724.0 [0,1,0,0,0,1|1,0,1]=4 772 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CNP0229016.0 [0,1,0,0,0,1|1,0,1]=4 773 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)Cl CNP0571047.0 [0,1,0,0,0,1|1,0,1]=4 774 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)O CNP0411974.0 [0,1,0,0,0,1|1,0,1]=4 775 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 CNP0028027.0 [0,1,0,0,0,1|1,0,1]=4 776 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [0,1,0,0,0,1|0,0,1]=3 777 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 CNP0149436.0 [0,1,0,0,0,1|1,0,1]=4 778 B13R2.328 O=C1N=C(C2=CC=CC=C2O1)O CNP0459624.0 [0,1,0,0,0,1|1,0,1]=4 779 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CNP0350009.0 [0,1,0,0,0,1|1,0,1]=4 780 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CNP0468495.0 [0,1,0,0,0,1|0,0,1]=3 781 B13R2.369 CC1=CC2=CC=CC=C2OC1=O CNP0554094.0 [0,1,0,0,0,1|1,0,1]=4 782 B13R2.369 NC1=CC2=CC=CC=C2OC1=O CNP0022464.0 [0,1,0,0,0,1|1,0,1]=4 783 B13R2.369 O=C1N=C2C=CC=CC2=NC1=O CNP0466838.0 [0,1,0,0,0,1|2,0,0]=4 784 B13R2.369 O=C1NC2=CC=CC=C2NC1=O CNP0494204.0 [0,1,0,0,0,1|2,0,0]=4 785 B13R2.369 O=C1NC2=CC=CC=C2OC1=O CNP0289759.0 [0,1,0,0,0,1|2,0,0]=4 786 B13R2.369 O=C1NC2=CC=CC=C2O[C@H]1O CNP0291912.1 [0,1,0,0,0,1|2,0,0]=4 787 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl CNP0586906.0 [0,1,0,0,0,1|1,0,1]=4 788 B13R2.369 O=C1OC2=CC=CC=C2C=C1O CNP0227778.0 [0,1,0,0,0,1|1,0,1]=4 789 B13R2.3683 CC1=CC=C2CC(=O)CCC2=C1 CNP0271833.0 [0,1,0,0,0,1|1,0,0]=3 790 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CNP0321280.0 [0,1,0,0,0,1|1,0,1]=4 791 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 CNP0223788.0 [0,1,0,0,0,1|1,0,0]=3 792 B13R2.3683 C[C@@H]1OCC2=CC(=CC=C2O1)O CNP0320828.1 [0,1,0,0,0,1|1,0,1]=4 793 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CNP0010263.0 [0,1,0,0,0,1|1,0,1]=4 794 B13R2.3683 O=C1C=C2CCC(=O)CC2=CC1 CNP0541100.0 [0,1,0,0,0,1|1,0,1]=4 795 B13R2.3683 O=C1C=CC2=CC(=CC=C2O1)O CNP0194748.0 [0,1,0,0,0,1|1,0,1]=4 796 B13R2.3683 O=C1C=CC2=CC(=O)C=CC2=C1 CNP0467271.0 [0,1,0,0,0,1|1,0,1]=4 797 B13R2.3683 O=C1CCC2=CC(=CC=C2N1)O CNP0247732.0 [0,1,0,0,0,1|1,0,0]=3 798 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)O CNP0119141.0 [0,1,0,0,0,1|2,0,0]=4 799 B13R2.5179 CC1=CC=CC2=C1C=CC(=O)O2 CNP0140551.0 [0,1,0,0,0,1|1,0,1]=4 800 B13R2.5179 C[C@@H]1CC2=CC=CC(=C2CO1)O CNP0283182.1 [0,1,0,0,0,1|1,0,1]=4 801 B13R2.5179 C[C@H]1CC2=CC=CC(=C2CO1)O CNP0283182.2 [0,1,0,0,0,1|1,0,1]=4 802 B13R2.5179 O=C1C=CC2=C(C=CC=C2O1)O CNP0306022.0 [0,1,0,0,0,1|1,0,1]=4 803 B13R2.4849 O=C1C=CC2=CC(=O)C=CC=C12 CNP0398518.0 [0,1,0,0,0,1|1,0,1]=4 804 B13R2.342 CC1=CC=CC2=C1CCNC2=O CNP0565003.0 [0,1,0,0,0,1|1,0,0]=3 805 B13R2.342 O=C1C=CNC2=C(C=CC=C12)O CNP0083510.0 [0,1,0,0,0,1|1,0,1]=4 806 B13R2.342 O=C1N=CNC2=C(C=CC=C12)O CNP0141168.0 [0,1,0,0,0,1|1,0,1]=4 807 B13R2.342 O=C1NC=CC2=C(C=CC=C12)O CNP0350172.0 [0,1,0,0,0,1|1,0,1]=4 808 B13R2.342 O=C1NC=NC2=C(C=CC=C12)O CNP0532432.0 [0,1,0,0,0,1|1,0,1]=4 809 B13R2.371 CN1C=CC(=O)C2=CC=CC=C12 CNP0296538.0 [0,1,0,0,0,1|1,0,1]=4 810 B13R2.371 CN1C=NC(=O)C2=CC=CC=C12 CNP0162462.0 [0,1,0,0,0,1|1,0,1]=4 811 B13R2.371 CN1CCC(=N)C2=CC=CC=C12 CNP0559627.0 [0,1,0,0,0,1|2,0,0]=4 812 B13R2.371 O=C1C=CC(=O)C2=CC=CC=C12 CNP0388462.0 [0,1,0,0,0,1|1,0,1]=4 813 B13R2.371 O=C1CCC(=O)C2=CC=CC=C12 CNP0436754.0 [0,1,0,0,0,1|1,0,0]=3 814 B13R2.371 O=C1CC[C@@H](C2=CC=CC=C12)O CNP0162052.1 [0,1,0,0,0,1|1,0,0]=3 815 B13R2.371 O=C1CC[C@H](C2=CC=CC=C12)O CNP0162052.2 [0,1,0,0,0,1|1,0,0]=3 816 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 CNP0083426.0 [0,1,0,0,0,1|1,0,1]=4 817 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 CNP0294524.0 [0,1,0,0,0,1|1,0,1]=4 818 B13R2.1613 O=CN1CCCC2=CC=CC=C12 CNP0610512.0 [0,1,0,0,0,1|2,0,0]=4 819 B13R2.4818 O=C1C=COC2=CC=CC(=C12)O CNP0554841.0 [0,1,0,0,0,1|1,0,1]=4 820 B13R2.4818 O=C1OC=CC2=C1C(=O)OC=C2 CNP0589710.0 [0,1,0,0,0,1|1,0,1]=4 821 B13R2.4818 O=C1OCC[C@@H]2C1=C(C=CC2)O CNP0158221.1 [0,1,0,0,0,1|0,0,2]=4 822 B13R2.1 O=CCC1=CNC2=CC=CC=C12 CNP0203676.0 [0,2,0,0,0,0|2,0,0]=4 823 B13R2.9 CC1=CC=CC2=C1NC=C2C=O CNP0143335.0 [0,2,0,0,0,0|2,0,0]=4 824 B13R2.72 CC(=O)C1=CNC2=CC=CC=C12 CNP0402989.0 [0,2,0,0,0,0|2,0,0]=4 825 B13R2.72 NC(=O)C1=CNC2=CC=CC=C12 CNP0534194.0 [0,2,0,0,0,0|2,0,0]=4 826 B13R2.72 O=C(O)C1=C2C=CC=CC2=NC1 CNP0439159.0 [0,2,0,0,0,0|2,0,0]=4 827 B13R2.72 O=C(O)C1=CNC2=CC=CC=C12 CNP0272837.0 [0,2,0,0,0,0|2,0,0]=4 828 B13R2.72 O=C(O)C1=CSC2=CC=CC=C12 CNP0443315.0 [0,2,0,0,0,0|2,0,0]=4 829 B13R2.135 CC1=C(C2=CC=CC=C2C1)C#N CNP0036411.0 [0,2,0,0,0,0|2,0,0]=4 830 B13R2.135 CC1=C(C2=CC=CC=C2N1)C=O CNP0132549.0 [0,2,0,0,0,0|2,0,0]=4 831 B13R2.135 O=CC1=C(NC2=CC=CC=C12)Br CNP0015864.0 [0,2,0,0,0,0|2,0,0]=4 832 B13R2.135 O=CC1=C(NC2=CC=CC=C12)S CNP0043669.0 [0,2,0,0,0,0|2,0,0]=4 833 B13R2.135 O=CC1C(=O)CC2=CC=CC=C12 CNP0532845.0 [0,2,0,0,0,0|1,0,1]=4 834 B13R2.662 O=CC1=CNC2=CC(=CC=C12)Br CNP0201015.0 [0,2,0,0,0,0|2,0,0]=4 835 B13R2.662 O=CC1=CNC2=CC(=CC=C12)Cl CNP0326067.0 [0,2,0,0,0,0|2,0,0]=4 836 B13R2.662 O=CC1=CNC2=CC(=CC=C12)O CNP0296176.0 [0,2,0,0,0,0|2,0,0]=4 837 B13R2.2091 O=CC1=CNC2=CC=CC(=C12)O CNP0083873.0 [0,2,0,0,0,0|2,0,0]=4 838 B13R2.2136 O=CC1=CNC2=CC=C(C=C12)Br CNP0402766.0 [0,2,0,0,0,0|2,0,0]=4 839 B13R2.2136 O=CC1=CNC2=CC=C(C=C12)Cl CNP0594030.0 [0,2,0,0,0,0|2,0,0]=4 840 B13R2.2136 O=CC1=CNC2=CC=C(C=C12)O CNP0163626.0 [0,2,0,0,0,0|2,0,0]=4 841 B13R2.2931 CN1C=C(C2=CC=CC=C12)C=O CNP0174507.0 [0,2,0,0,0,0|2,0,0]=4 842 B13R2.2931 COC1=C[C@@H](C2=CC=CC=C12)C CNP0046972.1 [0,2,0,0,0,0|1,0,1]=4 843 B13R2.2931 COC1=C[C@H](C2=CC=CC=C12)C CNP0046972.2 [0,2,0,0,0,0|1,0,1]=4 844 B13R2.2931 COC1CC(=O)C2=CN=CC=C12 CNP0121639.0 [0,2,0,0,0,0|2,0,0]=4 845 B13R2.2931 CO[C@@H]1C=C(C2=CC=CC=C12)C CNP0039873.1 [0,2,0,0,0,0|2,0,0]=4 846 B13R2.2931 CO[C@@H]1OC(=O)C2=CC=CC=C12 CNP0262154.1 [0,2,0,0,0,0|0,0,0]=2 847 B13R2.2931 CO[C@H]1C=C(C2=CC=CC=C12)C CNP0039873.2 [0,2,0,0,0,0|2,0,0]=4 848 B13R2.2931 CO[C@H]1OC(=O)C2=CC=CC=C12 CNP0262154.2 [0,2,0,0,0,0|0,0,0]=2 849 B13R2.2931 O=C1C[C@@H](C2=CN=CC=C12)CO CNP0075844.2 [0,2,0,0,0,0|2,0,0]=4 850 B13R2.2931 O=C1C[C@H](C2=CN=CC=C12)CO CNP0075844.1 [0,2,0,0,0,0|2,0,0]=4 851 B13R2.2931 O=CC1=CN(C2=CC=CC=C12)O CNP0017728.0 [0,2,0,0,0,0|2,0,0]=4 852 B13R2.45 CC1=C(CC2=CC=CC=C12)C#N CNP0059900.0 [0,2,0,0,0,0|2,0,0]=4 853 B13R2.45 O=C1C(=CC2=CC=CC=C12)CO CNP0194849.0 [0,2,0,0,0,0|1,0,1]=4 854 B13R2.45 O=C1C(=NO)NC2=CC=CC=C12 CNP0275285.0 [0,2,0,0,0,0|2,0,0]=4 855 B13R2.243 C[C@@]1(CC2=CC=CC=C2C1=O)O CNP0096681.1 [0,2,0,0,0,0|1,0,0]=3 856 B13R2.243 C[C@]1(CC2=CC=CC=C2C1=O)O CNP0096681.2 [0,2,0,0,0,0|1,0,0]=3 857 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 CNP0580911.0 [0,2,0,0,0,0|2,0,0]=4 858 B13R2.3028 CC1=CC=C2OC(C(=O)C2=C1)C CNP0531484.0 [0,2,0,0,0,0|2,0,0]=4 859 B13R2.3028 O=C1NC2=CC=C(C=C2C1=O)Br CNP0515536.0 [0,2,0,0,0,0|2,0,0]=4 860 B13R2.3028 O=C1NC2=CC=C(C=C2C1=O)I CNP0574455.0 [0,2,0,0,0,0|2,0,0]=4 861 B13R2.3085 CC1=C(C(C2=CC=CC=C12)C)C CNP0214533.0 [0,2,0,0,0,0|2,0,0]=4 862 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C12 CNP0558551.0 [0,2,0,0,0,0|2,0,0]=4 863 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1=O CNP0399263.0 [0,2,0,0,0,0|1,0,1]=4 864 B13R2.3085 CN1C(=O)C2=CC=CC=C2[C@@H]1O CNP0068358.2 [0,2,0,0,0,0|1,0,0]=3 865 B13R2.3085 CN1C(=O)C2=CC=CC=C2[C@H]1O CNP0068358.1 [0,2,0,0,0,0|1,0,0]=3 866 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O CNP0567777.0 [0,2,0,0,0,0|2,0,0]=4 867 B13R2.4856 O=C1NC2=CC=CC(=C2C1=O)Cl CNP0569651.0 [0,2,0,0,0,0|2,0,0]=4 868 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Br CNP0109029.0 [0,2,0,0,0,0|2,0,0]=4 869 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CNP0498882.0 [0,2,0,0,0,0|2,0,0]=4 870 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)O CNP0018641.0 [0,2,0,0,0,0|2,0,0]=4 871 B13R2.3742 O=C1NCC2=C(C=C(C=C12)O)O CNP0249972.0 [0,2,0,0,0,0|1,0,0]=3 872 B13R2.3790 CC1=NC=C2COC(=O)C2=C1O CNP0049783.0 [0,2,0,0,0,0|1,0,0]=3 873 B13R2.3790 O=C1OCC2=CC=C(C(=C12)O)O CNP0240333.0 [0,2,0,0,0,0|0,0,0]=2 874 B13R2.5187 CC1CC(=O)C2=CC=C(C=C12)O CNP0611868.0 [0,2,0,0,0,0|1,0,0]=3 875 B13R2.5187 CC1CC(=O)C2=NC=C(C=C12)O CNP0315960.0 [0,2,0,0,0,0|2,0,0]=4 876 B13R2.5187 C[C@@H]1CC(=O)C2=NC=C(C=C12)O CNP0315960.1 [0,2,0,0,0,0|2,0,0]=4 877 B13R2.11634 O=C1OCC2=CC(=C(C=C12)O)O CNP0217673.0 [0,2,0,0,0,0|0,0,0]=2 878 B13R2.573 COC1=CC=CC2=C1COC2=O CNP0351140.0 [0,2,0,0,0,0|0,0,0]=2 879 B13R2.573 N#CC1=CC=CC2=C1CCC2=O CNP0178883.0 [0,2,0,0,0,0|1,0,0]=3 880 B13R2.4857 CC1=CC=CC2=C1C(=O)NC2=O CNP0169036.0 [0,2,0,0,0,0|1,0,1]=4 881 B13R2.4857 CC1=CC=CC2=C1C(=O)OC2=O CNP0034587.0 [0,2,0,0,0,0|0,0,1]=3 882 B13R2.4857 CC1=CC=CC2=C1C(=O)O[C@@H]2O CNP0048978.2 [0,2,0,0,0,0|0,0,0]=2 883 B13R2.4857 CC1=CC=CC2=C1C(=O)O[C@H]2O CNP0048978.1 [0,2,0,0,0,0|0,0,0]=2 884 B13R2.4857 O=C1C[C@@H](C2=CC=CC(=C12)O)O CNP0523744.1 [0,2,0,0,0,0|1,0,0]=3 885 B13R2.5151 CC1=CC=C(C2=C1C(=O)CC2)O CNP0198660.0 [0,2,0,0,0,0|1,0,0]=3 886 B13R2.5151 CC1=CC=C(C2=C1COC2=O)C CNP0060357.0 [0,2,0,0,0,0|0,0,0]=2 887 B13R2.5151 CC1=CC=C(C2=C1COC2=O)O CNP0162510.0 [0,2,0,0,0,0|0,0,0]=2 888 B13R2.5180 CC1=C(C=CC2=C1OCC2=O)O CNP0042986.0 [0,2,0,0,0,0|2,0,0]=4 889 B13R2.5180 CC1=NC=C2C(=O)OCC2=C1O CNP0395670.0 [0,2,0,0,0,0|1,0,0]=3 890 B13R2.5180 O=C1COC2=C1C=CC(=C2O)O CNP0194185.0 [0,2,0,0,0,0|2,0,0]=4 891 B13R2.11642 CC1=CC(=C2C(=O)COC2=C1)O CNP0043045.0 [0,2,0,0,0,0|2,0,0]=4 892 B13R2.11642 CC1=CC(=CC2=C1C(=O)CO2)O CNP0082490.0 [0,2,0,0,0,0|2,0,0]=4 893 B13R2.11642 CC1=CC2=C(C(=O)NC2)C(=O)N1 CNP0198796.0 [0,2,0,0,0,0|2,0,0]=4 894 B13R2.11642 C[C@H]1OCC2=CC(=CC(=C12)O)O CNP0532080.1 [0,2,0,0,0,0|1,0,1]=4 895 B13R2.11642 O=C1COC2=CC(=CC(=C12)O)O CNP0258998.0 [0,2,0,0,0,0|2,0,0]=4 896 B13R2.11642 O=C1OCC2=CC(=CC(=C12)O)O CNP0364654.0 [0,2,0,0,0,0|0,0,0]=2 897 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 CNP0365392.0 [0,2,0,0,0,0|1,0,0]=3 898 B13R2.12159 CC1(CC(=O)C2=CC=CC=C12)C CNP0322287.0 [0,2,0,0,0,0|1,0,0]=3 899 B13R2.12159 CC1(OC(=O)C2=CC=CC=C12)C CNP0053854.0 [0,2,0,0,0,0|0,0,0]=2 900 B13R2.12159 CC1(OC(=O)C2=CC=CC[C@@H]12)C CNP0183480.1 [0,2,0,0,0,0|0,0,2]=4 901 B13R2.12159 CC1=C[C@@](C2=CC=CC=C12)(C)O CNP0137434.1 [0,2,0,0,0,0|2,0,0]=4 902 B13R2.12159 CC1=C[C@](C2=CC=CC=C12)(C)O CNP0137434.2 [0,2,0,0,0,0|2,0,0]=4 903 B13R2.12159 O=C1NS(=O)(=O)C2=CC=CC=C12 CNP0151101.0 [0,2,0,0,0,0|2,0,0]=4 904 B13R2.12159 O=C1NS(=O)(=O)C2=CC=CC=C12 CNP0489886.0 [0,2,0,0,0,0|2,0,0]=4 905 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 CNP0085656.0 [0,2,0,0,0,0|1,0,0]=3 906 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,0,2,0,0,0|0,0,0]=2 907 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [0,0,2,0,0,0|0,0,2]=4 908 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,0,2,0,0,0|0,0,2]=4 909 B9R0.5 C=COC(=O)C=CC=CC CNP0588574.0 [0,0,2,0,0,0|0,0,2]=4 910 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,0,2,0,0,0|0,0,2]=4 911 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [0,0,1,1,0,0|2,0,0]=4 912 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [0,0,1,1,0,0|2,0,0]=4 913 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [0,0,1,1,0,0|0,0,2]=4 914 B11R2.55 CC1=CC=CC=C1C2CO2 CNP0595816.0 [0,0,1,1,0,0|1,0,1]=4 915 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,0,1,0,1,0|2,0,0]=4 916 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,0,1,0,1,0|2,0,0]=4 917 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,0,1,0,1,0|2,0,0]=4 918 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,0,1,0,1,0|1,0,0]=3 919 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,0,1,0,1,0|1,0,0]=3 920 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [0,0,1,0,1,0|1,0,0]=3 921 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,0,1,0,1,0|2,0,0]=4 922 B9R1.11 COC(=O)N1C=CN=C1 CNP0310678.0 [0,0,1,0,1,0|2,0,0]=4 923 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,0,1,0,1,0|1,1,0]=4 924 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,0,1,0,1,0|0,0,1]=3 925 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,0,1,0,1,0|2,0,0]=4 926 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,0,1,0,1,0|2,0,0]=4 927 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,0,1,0,1,0|2,0,0]=4 928 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,0,1,0,1,0|2,0,0]=4 929 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,0,1,0,1,0|1,0,0]=3 930 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,0,1,0,1,0|1,0,0]=3 931 B9R1.41 CC1=C(NN=C1)C(=O)O CNP0611632.0 [0,0,1,0,1,0|2,0,0]=4 932 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,0,1,0,1,0|1,0,0]=3 933 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,0,1,0,1,0|1,0,0]=3 934 B9R1.41 CC1=CNN=C1C(=O)O CNP0171150.0 [0,0,1,0,1,0|2,0,0]=4 935 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [0,0,1,0,1,0|2,0,0]=4 936 B9R1.50 C[C@@H]1/C=C/C=C/C=C/C1 CNP0322489.1 [0,0,1,0,1,0|1,0,1]=4 937 B9R1.50 C[C@@H]1/C=C\C=C/C=C\C1 CNP0322489.2 [0,0,1,0,1,0|1,0,1]=4 938 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,0,1,0|0,0,1]=3 939 B11R1.852 COC(=O)C1=CC=CC=CO1 CNP0163197.0 [0,0,1,0,0,1|0,0,0]=2 940 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,0,1,0,0,1|2,0,0]=4 941 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,0,1,0,0,1|1,0,0]=3 942 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,0,1,0,0,1|2,0,0]=4 943 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,0,1,0,0,1|2,0,0]=4 944 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,0,1,0,0,1|2,0,0]=4 945 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,0,1,0,0,1|1,0,0]=3 946 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [0,0,1,0,0,1|2,0,0]=4 947 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,0,1,0,0,1|1,0,0]=3 948 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,0,1,0,0,1|1,0,0]=3 949 B11R1.86 O=C(O)CC1=COC=CC1=O CNP0138896.0 [0,0,1,0,0,1|2,0,0]=4 950 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 CNP0470971.0 [0,0,0,0,0,2|1,0,1]=4 951 B13R2.33 O=C1C=CC2=CN=CC=C2CC1 CNP0312086.0 [0,0,0,0,0,2|2,0,0]=4 952 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CNP0327972.0 [0,0,0,0,0,2|1,0,0]=3 953 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,0,0,0,0,2|1,0,0]=3