0 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,0,0,0,0,0|0,0,4]=4 8 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [0,0,0,0,0,0|1,0,3]=4 9 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,0,0,0,0,0|0,0,4]=4 11 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,0,0,0,0|1,0,2]=3 17 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,0,0,0,0,0|2,0,2]=4 18 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,0,0,0,0,0|1,1,1]=3 19 B8R1.7 N=C(N)C1=CNC=C1 CNP0175119.0 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.7 NC(=C1C=CN=C1)N CNP0090850.0 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,0,0,0,0,0|1,0,0]=1 22 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.7 NC(=O)C1=CN=CN1 CNP0585568.0 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.7 NC(=O)C1=CNC=N1 CNP0130014.0 [0,0,0,0,0,0|2,0,1]=3 25 B8R1.7 NC(=O)C1=NNC=C1 CNP0117366.0 [0,0,0,0,0,0|2,0,1]=3 26 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,0,0,0,0|1,0,0]=1 28 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [0,0,0,0,0,0|2,0,1]=3 32 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [0,0,0,0,0,0|2,0,1]=3 36 B8R1.7 O=C(O)C1=CSN=N1 CNP0448076.0 [0,0,0,0,0,0|3,0,1]=4 37 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [0,0,0,0,0,0|2,0,1]=3 38 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,0,0,0,0,0|1,0,2]=3 39 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [0,0,0,0,0,0|1,0,2]=3 40 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,0,0,0,0,0|2,0,2]=4 41 B8R1.7 O=[N+]([O-])C1=CC=CS1 CNP0489740.0 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.7 O=[N+]([O-])C1=NC=CN1 CNP0566258.0 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [1,0,0,0,0,0|1,0,1]=3 44 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,0,0,0,0,0|1,0,1]=3 45 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [1,0,0,0,0,0|1,0,1]=3 46 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,0,0|1,0,1]=3 47 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,0,0|1,0,1]=3 48 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,0,0|1,0,0]=2 53 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,0,0,0,0,0|1,0,2]=4 55 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [1,0,0,0,0,0|1,0,1]=3 57 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [1,0,0,0,0,0|0,0,0]=1 60 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,0,0,0|1,0,2]=4 66 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,0,0,0|1,0,2]=4 67 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,0,0,0|1,1,1]=4 68 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,0,0,0,0,0|1,1,1]=4 69 B9R1.11 CC(=NO)C1=CC=CN1 CNP0158738.0 [0,1,0,0,0,0|0,0,1]=2 70 B9R1.11 CC(=NO)C1=CC=CS1 CNP0182466.0 [0,1,0,0,0,0|1,0,1]=3 71 B9R1.11 CC(CN)C1=CN=CN1 CNP0517286.0 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,1,0,0,0,0|0,0,0]=1 73 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,1,0,0,0,0|1,0,0]=2 74 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,1,0,0,0,0|1,0,0]=2 75 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,1,0,0,0,0|1,0,1]=3 76 B9R1.11 CCC(=O)N1C=CN=C1 CNP0053427.0 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,1,0,0,0,0|0,0,0]=1 78 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,1,0,0,0,0|1,0,0]=2 79 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.11 COC(=O)C1=CSN=N1 CNP0045688.0 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,1,0,0,0,0|1,0,1]=3 82 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [0,1,0,0,0,0|2,0,1]=4 83 B9R1.11 COC(=O)N1C=CN=C1 CNP0310678.0 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,1,0,0,0,0|1,0,2]=4 85 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,1,0,0,0,0|1,0,0]=2 86 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,1,0,0,0,0|1,0,0]=2 88 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [0,1,0,0,0,0|1,0,2]=4 89 B9R1.19 CC(C)(C)C1=CC=CS1 CNP0063130.0 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.19 NS(=O)(=O)C1=CC=CS1 CNP0205312.0 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,1,0,0,0,0|1,0,0]=2 92 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,1,0,0,0,0|1,0,0]=2 93 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [0,1,0,0,0,0|1,0,1]=3 97 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,1,0,0,0,0|1,0,2]=4 98 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.35 CC1=CC(=NO1)C(=O)N CNP0222722.0 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.35 CC1=CN(N=C1)C(=O)O CNP0600504.0 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.35 CC1=NN(C=C1)C(=O)N CNP0055854.0 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.35 NC(=O)C1=CC(=CN1)Br CNP0149276.0 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.35 NC(=O)C1=CC=C(N1)Br CNP0307809.0 [0,1,0,0,0,0|1,0,0]=2 110 B9R1.35 NC(=O)C1=CC=C(S1)Br CNP0540435.0 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,1,0,0,0,0|1,0,0]=2 114 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.35 O=C(O)C1=CNC(=O)N1 CNP0228864.0 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.35 O=C1CC=C(N1)C(=O)O CNP0530811.0 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.35 O=C1N=CC(=N1)C(=O)O CNP0147589.0 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.35 O=[N+]([O-])C1=CC=C(O1)Br CNP0568973.0 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,1,0,0,0,0|1,0,0]=2 121 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,1,0,0,0,0|1,0,2]=4 124 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,1,0,0,0,0|0,0,0]=1 125 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,1,0,0,0,0|1,0,2]=4 126 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.41 CC(=O)C1CCC=C1C CNP0610486.0 [0,1,0,0,0,0|1,0,2]=4 128 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.41 CC1=C(NN=C1)C(=O)O CNP0611632.0 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.41 CC1=C(OC=N1)C(=O)N CNP0037619.0 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.41 CC1=CC=NN1C(=O)N CNP0051852.0 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.41 CC1=CNN=C1C(=O)O CNP0171150.0 [0,1,0,0,0,0|2,0,1]=4 136 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CNP0506561.1 [0,1,0,0,0,0|1,0,2]=4 138 B9R1.41 NC(=O)C1=C(N=CN1)N CNP0490493.0 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.41 NC(=O)C1=C(NC=N1)N CNP0545145.0 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.41 NC(=O)C1=CNC=C1Br CNP0427935.0 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,0,1,0,0,0|2,0,0]=3 142 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [0,0,1,0,0,0|1,0,2]=4 143 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,0,1,0,0,0|1,0,0]=2 144 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,0,1,0,0,0|2,0,0]=3 145 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,0,1,0,0,0|1,0,2]=4 146 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,0,1,0,0,0|1,0,2]=4 147 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [0,0,1,0,0,0|2,0,1]=4 148 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,0,1,0,0,0|2,0,0]=3 149 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,0,1,0,0,0|1,0,2]=4 150 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,0,1,0,0,0|1,0,2]=4 151 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,0,1,0,0,0|2,0,0]=3 152 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,0,1,0,0,0|2,0,1]=4 153 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [0,0,1,0,0,0|1,0,2]=4 154 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [0,0,0,1,0,0|2,0,1]=4 155 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,0,0,0,0,1|2,0,0]=3 156 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [0,0,0,0,0,1|2,0,0]=3 157 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [0,0,0,0,0,1|1,0,1]=3 158 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,0,0,0,0,1|1,0,0]=2 159 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,0,0,0,0,1|0,0,1]=2 160 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,0,0,0,0,1|0,0,1]=2 161 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,0,0,0,0,1|1,0,0]=2 162 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,0,0,0,0,1|1,0,2]=4 163 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [0,0,0,0,0,1|0,0,2]=3 164 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,0,0,0,0,1|0,0,1]=2 165 B9R1.6 CC(=O)C1=CSCCN1 CNP0003045.0 [0,0,0,0,0,1|0,0,2]=3 166 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,0,0,0,0,1|2,0,1]=4 167 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,0,0,0,0,1|1,0,2]=4 168 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [0,0,0,0,0,1|2,0,1]=4 169 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [0,0,0,0,0,1|1,0,2]=4 170 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [0,0,0,0,0,1|0,0,3]=4 171 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,0,0,0,0,1|2,0,1]=4 174 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,0,0,0,0,1|1,0,2]=4 175 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,0,0,0,0,1|2,0,1]=4 176 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,0,0,0,0,1|1,0,2]=4 177 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,0,0,0,0,1|2,0,1]=4 178 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [0,0,0,0,0,1|1,1,1]=4 180 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,0,0,0,0,1|2,0,0]=3 181 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,0,0,0,0,1|1,0,1]=3 182 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,0,0,0,0,1|1,0,1]=3 183 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,0,0,0,0,1|2,0,0]=3 184 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [0,0,0,0,0,1|1,0,1]=3 185 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [0,0,0,0,0,1|1,1,1]=4 186 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,0,0,0,0,1|1,0,1]=3 187 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,0,0,0,0,1|1,0,1]=3 188 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,0,0,0,0,1|2,0,0]=3 189 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,0,0,0,0,1|2,0,0]=3 190 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,0,0,0,0,1|1,0,1]=3 191 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,0,0,0,0,1|1,0,1]=3 192 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,0,0,0,0,1|2,0,0]=3 193 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [0,0,0,0,0,1|1,0,2]=4 194 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,0,0,0,0,1|1,0,1]=3 195 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [0,0,0,0,0,1|1,0,2]=4 196 B9R1.6 O=C(O)[C@@H]1CC=CCN1 CNP0116904.1 [0,0,0,0,0,1|1,0,2]=4 197 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [0,0,0,0,0,1|1,0,2]=4 198 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,0,0,0,0,1|2,0,0]=3 199 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,0,0,0,0,1|2,0,0]=3 200 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,0,0,0,0,1|2,0,0]=3 201 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,0,0,0,0,1|2,0,0]=3 202 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,0,0,0,0,1|1,0,1]=3 203 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,0,0,0,0,1|1,0,1]=3 204 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,0,0,0,0,1|1,0,1]=3 205 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,0,0,0,0,1|3,0,0]=4 207 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,0,0,0,0,1|1,0,0]=2 210 B9R1.13 CC(=O)NC1=NC=CS1 CNP0054817.0 [0,0,0,0,0,1|1,0,1]=3 211 B9R1.13 CC(=O)NC1=NNC=C1 CNP0230807.0 [0,0,0,0,0,1|1,0,1]=3 212 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,0,0,0,0,1|1,0,0]=2 213 B9R1.13 CC(=O)OC1=CNN=C1 CNP0168778.0 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,0,0,0,0,1|2,0,1]=4 215 B9R1.13 N=C(N)CC1=CN=CN1 CNP0480916.0 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,0,0,0,0,1|2,0,0]=3 217 B9R1.13 O=C(O)CC1=CN=CN1 CNP0253943.0 [0,0,0,0,0,1|2,0,0]=3 218 B9R1.13 O=C(O)CC1=CNC=N1 CNP0530503.0 [0,0,0,0,0,1|2,0,1]=4 219 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,0,0,0,0,1|3,0,0]=4 220 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,1,0,0,0|1,0,0]=3 221 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,1,0,0,0|0,0,2]=4 222 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,0,1,0,0,0|1,0,1]=4 223 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,0,1,0,0,0|1,0,1]=4 224 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,1,0,0,0|1,0,1]=4 225 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,1,0,0,0|0,0,2]=4 226 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,0,1,0,0,0|1,0,1]=4 227 B6R0.6 C=CC#CC=CC CNP0360102.0 [1,0,1,0,0,0|1,0,1]=4 228 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,1,0,0,0|1,0,0]=3 229 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,1,0,0,0|1,0,1]=4 230 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,1,0,0,0|1,0,0]=3 231 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,1,0,0,0|1,0,1]=4 232 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,1,0,0,0|1,0,1]=4 233 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,1,0,0,0|1,0,1]=4 234 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,1,0,0,0|1,0,1]=4 235 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [1,0,1,0,0,0|2,0,0]=4 236 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [1,0,1,0,0,0|1,0,1]=4 237 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,0,1,0,0,0|1,0,1]=4 238 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [1,0,1,0,0,0|1,0,1]=4 239 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [1,0,1,0,0,0|2,0,0]=4 240 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [1,0,1,0,0,0|1,0,1]=4 241 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [1,0,1,0,0,0|1,0,1]=4 242 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [1,0,1,0,0,0|2,0,0]=4 243 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,0,1,0,0,0|0,0,2]=4 244 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,0,1,0,0,0|1,0,1]=4 245 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [2,0,0,0,0,0|0,0,1]=3 246 B6R1.2 C=C1C=CCC1 CNP0269204.0 [2,0,0,0,0,0|1,0,1]=4 247 B6R1.2 CC1=CC=CN1 CNP0003130.0 [2,0,0,0,0,0|0,0,0]=2 248 B6R1.2 CC1=CC=CO1 CNP0204821.0 [2,0,0,0,0,0|1,0,0]=3 249 B6R1.2 CC1=CC=CS1 CNP0308280.0 [2,0,0,0,0,0|1,0,0]=3 250 B6R1.2 CC1=CN=CN1 CNP0175437.0 [2,0,0,0,0,0|1,0,0]=3 251 B6R1.2 CC1=CN=CS1 CNP0003129.0 [2,0,0,0,0,0|2,0,0]=4 252 B6R1.2 CC1=CNC=C1 CNP0578230.0 [2,0,0,0,0,0|2,0,0]=4 253 B6R1.2 CC1=CNC=N1 CNP0484047.0 [2,0,0,0,0,0|1,0,1]=4 254 B6R1.2 CC1=COC=C1 CNP0401605.0 [2,0,0,0,0,0|2,0,0]=4 255 B6R1.2 CC1=CSC=C1 CNP0153726.0 [2,0,0,0,0,0|2,0,0]=4 256 B6R1.2 CC1=CSC=N1 CNP0121199.0 [2,0,0,0,0,0|1,0,1]=4 257 B6R1.2 CC1=NC=CS1 CNP0611676.0 [2,0,0,0,0,0|1,0,1]=4 258 B6R1.2 CN1C=CC=C1 CNP0084622.0 [2,0,0,0,0,0|2,0,0]=4 259 B6R1.2 N=C1NC=CN1 CNP0546499.0 [2,0,0,0,0,0|2,0,0]=4 260 B6R1.2 N=C1NC=CS1 CNP0292445.0 [2,0,0,0,0,0|2,0,0]=4 261 B6R1.2 NC1=CN=CN1 CNP0269270.0 [2,0,0,0,0,0|2,0,0]=4 262 B6R1.2 NC1=NC=CN1 CNP0407827.0 [2,0,0,0,0,0|2,0,0]=4 263 B6R1.2 O=C1C=CCC1 CNP0122561.0 [2,0,0,0,0,0|1,0,1]=4 264 B6R1.2 O=C1C=CCO1 CNP0253714.0 [2,0,0,0,0,0|1,0,1]=4 265 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [2,0,0,0,0,0|1,0,1]=4 266 B6R1.2 O=C1C=CNO1 CNP0275546.0 [2,0,0,0,0,0|2,0,0]=4 267 B6R1.2 O=C1C=COO1 CNP0482120.0 [2,0,0,0,0,0|2,0,0]=4 268 B6R1.2 O=C1CC=CO1 CNP0494071.0 [2,0,0,0,0,0|1,0,1]=4 269 B6R1.2 O=C1CN=CN1 CNP0321519.0 [2,0,0,0,0,0|1,0,1]=4 270 B6R1.2 O=C1OC=CO1 CNP0585701.0 [2,0,0,0,0,0|2,0,0]=4 271 B6R1.2 OC1=CC=CO1 CNP0600093.0 [2,0,0,0,0,0|1,0,1]=4 272 B6R1.2 SC1=CC=CS1 CNP0113015.0 [2,0,0,0,0,0|1,1,0]=4 273 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [0,1,1,0,0,0|1,0,1]=4 274 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,1,1,0,0,0|1,0,0]=3 275 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,1,1,0,0,0|1,0,1]=4 276 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,1,1,0,0,0|2,0,0]=4 277 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,1,1,0,0,0|1,0,0]=3 278 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,1,1,0,0,0|1,0,0]=3 279 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,1,0,0,0|2,0,0]=4 280 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,1,1,0,0,0|2,0,0]=4 281 B8R0.9 C=CC(=O)NCC(=O)O CNP0077507.0 [0,1,1,0,0,0|1,0,1]=4 282 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,1,1,0,0,0|1,0,1]=4 283 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,1,1,0,0,0|1,0,1]=4 284 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,1,1,0,0,0|1,0,0]=3 285 B8R0.28 N=C(N)SC=CC(=O)O CNP0031971.0 [0,1,1,0,0,0|2,0,0]=4 286 B8R0.28 NC(=O)NC=CC(=O)O CNP0395039.0 [0,1,1,0,0,0|2,0,0]=4 287 B8R0.2 C=CC(=C(O)C(=O)O)Cl CNP0377725.0 [0,1,1,0,0,0|2,0,0]=4 288 B8R0.2 C=CC(=C)[C@H](N)C(=O)O CNP0273859.1 [0,1,1,0,0,0|1,0,1]=4 289 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [0,1,1,0,0,0|1,0,0]=3 290 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [1,1,0,0,0,0|0,0,0]=2 291 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [1,1,0,0,0,0|1,0,0]=3 292 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [1,1,0,0,0,0|1,0,1]=4 294 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [1,1,0,0,0,0|1,0,0]=3 295 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [1,1,0,0,0,0|1,0,1]=4 296 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [1,1,0,0,0,0|1,0,1]=4 297 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [1,1,0,0,0,0|1,0,1]=4 298 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.1 O=C1C=CC(=NO)N1 CNP0272476.0 [1,1,0,0,0,0|1,0,1]=4 301 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [1,1,0,0,0,0|1,0,0]=3 302 B8R1.1 O=NC1=CC=C(N1)O CNP0611370.0 [1,1,0,0,0,0|1,0,0]=3 303 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [1,1,0,0,0,0|1,0,1]=4 304 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [1,1,0,0,0,0|1,0,0]=3 305 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,1,0,0,0,0|1,0,1]=4 306 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,1,0,0,0,0|1,0,1]=4 307 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [1,1,0,0,0,0|1,0,1]=4 308 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [1,1,0,0,0,0|1,0,1]=4 309 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.8 NCCC1=CC=NN1 CNP0506107.0 [1,1,0,0,0,0|1,0,1]=4 311 B8R1.8 NCCC1=CN=CN1 CNP0591741.0 [1,1,0,0,0,0|1,0,1]=4 312 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [1,1,0,0,0,0|1,0,0]=3 313 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [1,1,0,0,0,0|1,0,1]=4 315 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,1,0,0,0,0|1,0,1]=4 316 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [1,1,0,0,0,0|1,0,1]=4 317 B8R1.8 ON=CC1=CC=CN1 CNP0104313.0 [1,1,0,0,0,0|0,0,1]=3 318 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [1,1,0,0,0,0|1,0,1]=4 319 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.13 C=C(C)C1=CC=C(CC1)C CNP0154651.0 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,1,0,0,0,1|1,0,1]=4 324 B10R1.13 C=C(C)C1=CCC(=CC1)C CNP0603428.0 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,1,0,0,0,1|1,0,0]=3 326 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,1,0,0,0,1|1,0,0]=3 327 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,1,0,0,0,1|1,0,0]=3 328 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,1,0,0,0,1|1,0,0]=3 329 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,1,0,0,0,1|1,0,0]=3 330 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,1,0,0,0,1|0,0,1]=3 331 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,1,0,0,0,1|1,0,0]=3 332 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,1,0,0,0,1|0,0,1]=3 333 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,1,0,0,0,1|0,0,1]=3 334 B10R1.13 CC(=O)C1=CNC(=O)CC1 CNP0234990.0 [0,1,0,0,0,1|0,0,2]=4 335 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [0,1,0,0,0,1|1,0,0]=3 340 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [0,1,0,0,0,1|1,0,1]=4 342 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [0,1,0,0,0,1|1,0,1]=4 343 B10R1.13 NC(=O)C1=CNC(=O)C=N1 CNP0002360.0 [0,1,0,0,0,1|1,0,1]=4 344 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,1,0,0,0,1|1,0,1]=4 352 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [0,1,0,0,0,1|1,0,1]=4 353 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [0,1,0,0,0,1|1,0,0]=3 354 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,1,0,0,0,1|1,0,1]=4 358 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,1,0,0,0,1|1,0,1]=4 359 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,1,0,0,0,1|1,0,1]=4 360 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,1,0,0,0,1|1,0,1]=4 361 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [0,1,0,0,0,1|0,0,2]=4 362 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,1,0,0,0,1|1,0,1]=4 363 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,1,0,0,0,1|1,0,0]=3 365 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,1,0,0,0,1|0,0,1]=3 366 B10R1.15 CCC(=O)C1=CCCCN1 CNP0358060.0 [0,1,0,0,0,1|0,0,2]=4 367 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,1,0,0,0,1|1,0,0]=3 369 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,1,0,0,0,1|0,0,1]=3 370 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,1,0,0,0,1|1,0,0]=3 371 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,1,0,0,0,1|0,0,1]=3 372 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,1,0,0,0,1|0,0,1]=3 373 B10R1.15 COC(=O)C1=CCCNC1 CNP0313313.0 [0,1,0,0,0,1|0,0,2]=4 374 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,1,0,0,0,1|0,0,1]=3 375 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,1,0,0,0,1|1,0,0]=3 376 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,1,0,0,0,1|1,0,1]=4 377 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,1,0,0,0,1|1,0,0]=3 378 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [0,1,0,0,0,1|1,0,1]=4 380 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [0,1,0,0,0,1|1,0,1]=4 381 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,1,0,0,0,1|1,0,0]=3 383 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,1,0,0,0,1|1,0,0]=3 384 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [0,1,0,0,0,1|1,0,1]=4 386 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,1,0,0,0,1|1,0,1]=4 387 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,1,0,0,0,1|1,0,0]=3 389 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,1,0,0,0,1|1,0,0]=3 390 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,1,0,0,0,1|1,0,0]=3 391 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,1,0,0,0,1|0,0,1]=3 392 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,1,0,0,0,1|1,0,0]=3 393 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,1,0,0,0,1|0,0,1]=3 394 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,1,0,0,0,1|0,0,1]=3 395 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [0,1,0,0,0,1|1,0,1]=4 398 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,1,0,0,0,1|1,0,1]=4 399 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,1,0,0,0,1|1,0,1]=4 400 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [0,1,0,0,0,1|1,0,0]=3 401 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [0,1,0,0,0,1|1,0,0]=3 402 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [0,1,0,0,0,1|1,0,1]=4 403 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [0,1,0,0,0,1|1,0,1]=4 407 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [0,1,0,0,0,1|1,0,0]=3 408 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [0,1,0,0,0,1|1,0,1]=4 415 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [0,1,0,0,0,1|1,0,1]=4 418 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [0,1,0,0,0,1|1,0,0]=3 419 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,1,0,0,0,1|1,0,1]=4 420 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,1,0,0,0,1|0,0,1]=3 427 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,1,0,0,0,1|1,0,0]=3 428 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,1,0,0,0,1|1,0,0]=3 429 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,1,0,0,0,1|0,0,1]=3 430 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,1,0,0,0,1|1,0,0]=3 431 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [0,1,0,0,0,1|0,0,1]=3 432 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [0,1,0,0,0,1|0,0,1]=3 433 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [0,1,0,0,0,1|1,0,1]=4 438 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [0,1,0,0,0,1|1,0,0]=3 439 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [0,1,0,0,0,1|1,0,1]=4 440 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [0,1,0,0,0,1|1,0,1]=4 441 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [0,1,0,0,0,1|1,0,1]=4 442 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [0,1,0,0,0,1|1,0,1]=4 443 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [0,1,0,0,0,1|1,0,1]=4 444 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [0,1,0,0,0,1|1,0,1]=4 445 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [0,1,0,0,0,1|1,0,1]=4 446 B10R1.113 N=C1C=CC[C@@H](N1)C(=O)O CNP0181839.1 [0,1,0,0,0,1|1,0,1]=4 447 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [0,1,0,0,0,1|1,0,1]=4 452 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [0,1,0,0,0,1|1,0,1]=4 453 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.113 NC1=NC=CC(=N1)C(=O)O CNP0302261.0 [0,1,0,0,0,1|1,0,1]=4 455 B10R1.113 N[C@@H]1C=CC=C(C1)C(=O)O CNP0312678.1 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.113 N[C@H]1C=CC=C(C1)C(=O)O CNP0312678.2 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.113 O=C(O)C1=CC=CC(C1)[Si] CNP0180659.0 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [0,1,0,0,0,1|1,0,1]=4 463 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [0,1,0,0,0,1|1,0,1]=4 464 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,1,0,0,0,1|1,0,0]=3 465 B10R1.23 CC(=O)C(=O)C1=CC=CS1 CNP0002573.0 [0,1,0,0,0,1|1,0,0]=3 466 B10R1.23 CC(=O)C(=O)C1=COC=C1 CNP0289332.0 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 CNP0491951.1 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 CNP0491951.2 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.27 CC(=CC1=CC=CO1)C=O CNP0085269.0 [0,1,0,0,0,1|1,0,0]=3 470 B10R1.27 CC(=CC1=COC=C1)C=O CNP0316442.0 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [0,1,0,0,0,1|1,0,0]=3 472 B10R1.27 O=C(CO)CC1=CNC=N1 CNP0114886.0 [0,1,0,0,0,1|1,0,1]=4 473 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,1,0,0,0,1|1,0,0]=3 474 B10R1.54 CC(=O)NC1=NOC(=C1)C CNP0569291.0 [0,1,0,0,0,1|1,0,1]=4 475 B10R1.54 CC(=O)N[C@@H]1C=CC(=O)O1 CNP0482331.1 [0,1,0,0,0,1|1,0,1]=4 476 B10R1.54 O=C(O)C=C1C=CC(=O)O1 CNP0438543.0 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.64 CC(=O)CC1=C(C=CO1)C CNP0076562.0 [0,1,0,0,0,1|1,0,0]=3 478 B10R1.64 CN1C=NC=C1CC(=O)O CNP0052023.0 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [0,2,0,0,0,0|1,0,0]=3 480 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [0,2,0,0,0,0|1,0,0]=3 481 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [0,2,0,0,0,0|0,0,0]=2 482 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [0,2,0,0,0,0|1,0,0]=3 483 B10R1.11 CCOC(=O)C1=COC=C1 CNP0228529.0 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.11 CCOC(=O)C1=NNC=C1 CNP0017794.0 [0,2,0,0,0,0|1,0,1]=4 485 B10R1.11 O=CNC(=O)C1=CC=CN1 CNP0189867.0 [0,2,0,0,0,0|0,0,1]=3 486 B10R1.14 CC(=NO)C1=CC=C(S1)C CNP0326252.0 [0,2,0,0,0,0|1,0,1]=4 487 B10R1.14 CCC(=O)C1=CC=C(S1)C CNP0030242.0 [0,2,0,0,0,0|1,0,0]=3 488 B10R1.14 CCC(=O)C1=NC(=CS1)C CNP0322098.0 [0,2,0,0,0,0|1,0,1]=4 489 B10R1.14 COC(=O)C1=CC(=CN1)Br CNP0239770.0 [0,2,0,0,0,0|0,0,0]=2 490 B10R1.14 COC(=O)C1=CC(=CN1)C CNP0393568.0 [0,2,0,0,0,0|0,0,0]=2 491 B10R1.14 COC(=O)C1=CC=C(N1)Br CNP0436786.0 [0,2,0,0,0,0|0,0,0]=2 492 B10R1.14 COC(=O)C1=CCC(=N1)O CNP0539959.0 [0,2,0,0,0,0|0,0,2]=4 493 B10R1.14 COC(=O)C1=CCC(=O)N1 CNP0609465.0 [0,2,0,0,0,0|0,0,1]=3 494 B10R1.14 COC(=O)C1=NOC(=C1)C CNP0325290.0 [0,2,0,0,0,0|1,0,1]=4 495 B10R1.14 COC(=O)N1C=CC(=N1)C CNP0037180.0 [0,2,0,0,0,0|1,0,1]=4 496 B10R1.149 CCC(=O)C1=CC=CN1C CNP0151134.0 [0,2,0,0,0,0|0,0,0]=2 497 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [0,2,0,0,0,0|1,0,0]=3 498 B10R1.149 COC(=O)C1=CC=NN1C CNP0027219.0 [0,2,0,0,0,0|1,0,0]=3 499 B10R1.149 COC(=O)N1N=CC=C1C CNP0206322.0 [0,2,0,0,0,0|1,0,1]=4 500 B10R1.31 CC(=O)C1=CC=C(O1)C=O CNP0609170.0 [0,2,0,0,0,0|1,0,0]=3 501 B10R1.31 CC(=O)C1=CC=C(O1)CO CNP0125876.0 [0,2,0,0,0,0|1,0,0]=3 502 B10R1.31 CC(=O)C1=CNC(=C1)CO CNP0246623.0 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.31 COC1=CC=C(O1)C(=O)C CNP0311546.0 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.31 O=C(O)C1=CC=C(O1)CO CNP0283460.0 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.31 O=CC1=CC=C(N1)C(=O)O CNP0257574.0 [0,2,0,0,0,0|1,0,0]=3 506 B10R1.58 NC(=O)C1=CC(=C(N1)Br)Br CNP0164192.0 [0,2,0,0,0,0|1,0,0]=3 507 B10R1.58 NC(=O)C1=CC(=C(O1)Br)Br CNP0331076.0 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.58 O=C(O)C1=CC(=C(N1)Br)Br CNP0157165.0 [0,2,0,0,0,0|1,0,0]=3 509 B10R1.58 O=C(O)C1=CC(=C(O1)Br)Br CNP0394723.0 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.59 CC(=O)C1=C(N=C(O1)C)C CNP0224102.0 [0,2,0,0,0,0|2,0,0]=4 511 B10R1.59 CC(=O)C1=C(N=C(S1)C)C CNP0002407.0 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.59 CC(=O)C1=C(SC(=C1)C)C CNP0002469.0 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.59 CC(=O)N1CC(=CC1=O)O CNP0330308.0 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.59 CC(=O)N1N=C(C=C1C)C CNP0131376.0 [0,2,0,0,0,0|1,0,1]=4 516 B10R1.59 CC1=C(OC(=C1)O)C(=O)O CNP0509473.0 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.59 CN1C=C(C=C1C(=O)N)Br CNP0123023.0 [0,2,0,0,0,0|1,0,0]=3 518 B10R1.59 CN1C=C(C=C1C(=O)O)Br CNP0127452.0 [0,2,0,0,0,0|1,0,0]=3 519 B10R1.59 CN1C=[N+](C=C1C(=O)O)C CNP0549952.0 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.59 CN1C=[N+](C=C1C(=O)[O-])C CNP0480508.0 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.59 O=C(O)C1=C(C=C(N1)Br)Br CNP0432593.0 [0,2,0,0,0,0|1,0,0]=3 522 B10R1.194 CC1=C(NC=C1Br)C(=O)N CNP0121893.0 [0,2,0,0,0,0|1,0,0]=3 523 B10R1.194 NC(=O)C1=C(C(=CN1)Br)Br CNP0075322.0 [0,2,0,0,0,0|1,0,0]=3 524 B10R1.194 O=C(O)C1=C(C(=CN1)Br)Br CNP0430934.0 [0,2,0,0,0,0|1,0,0]=3 525 B10R1.39 CC(=O)C1=CNC=C1CO CNP0148283.0 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.39 CC(=O)N1C=CC=C1C=O CNP0167841.0 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.39 CCN1C=CC=C1C(=O)C CNP0359899.0 [0,2,0,0,0,0|0,0,0]=2 528 B10R1.39 COC1=C(OC=C1)C(=O)C CNP0427618.0 [0,2,0,0,0,0|1,0,0]=3 529 B10R1.39 CON1C=CC=C1C(=O)N CNP0430862.0 [0,2,0,0,0,0|1,0,0]=3 530 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [0,0,1,1,0,0|2,0,0]=4 531 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,0,1,1,0,0|2,0,0]=4 532 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [0,0,1,1,0,0|2,0,0]=4 533 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [0,0,1,1,0,0|1,0,0]=3 534 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,0,1,1,0,0|2,0,0]=4 535 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [0,0,1,1,0,0|2,0,0]=4 536 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,0,1,1,0,0|2,0,0]=4 537 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [0,0,1,1,0,0|1,0,0]=3 538 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [0,0,1,1,0,0|2,0,0]=4 539 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [0,0,1,1,0,0|2,0,0]=4 540 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [0,0,1,1,0,0|2,0,0]=4 541 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [0,0,1,1,0,0|1,0,1]=4 542 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [0,0,1,1,0,0|1,0,1]=4 543 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [0,0,1,1,0,0|0,0,2]=4 544 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [0,0,1,1,0,0|2,0,0]=4 545 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [0,0,1,1,0,0|2,0,0]=4 546 B8R1.4 NC1=NC(=O)NC=C1 CNP0547250.0 [0,0,1,1,0,0|2,0,0]=4 547 B8R1.22 O=C1C=CC=CC=C1 CNP0609083.0 [0,0,1,1,0,0|1,0,1]=4 548 B8R1.72 O=S1(=O)C=CC=CN1 CNP0480908.0 [0,0,1,1,0,0|2,0,0]=4 549 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [0,0,1,1,0,0|2,0,0]=4 550 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [0,0,1,1,0,0|2,0,0]=4 551 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [0,0,1,1,0,0|2,0,0]=4 552 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [0,0,1,1,0,0|2,0,0]=4 553 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [0,0,1,1,0,0|1,0,0]=3 554 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,0,1,1,0,0|2,0,0]=4 555 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [0,0,1,1,0,0|2,0,0]=4 556 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [0,0,1,1,0,0|2,0,0]=4 557 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [0,0,1,1,0,0|2,0,0]=4 558 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [0,0,1,1,0,0|2,0,0]=4 559 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [0,0,1,1,0,0|2,0,0]=4 560 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,0,1,1,0,0|2,0,0]=4 561 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [0,0,1,1,0,0|1,0,1]=4 562 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [0,0,1,1,0,0|1,0,1]=4 563 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [0,0,1,1,0,0|0,0,2]=4 564 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [0,0,1,1,0,0|0,1,1]=4 565 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [0,0,1,1,0,0|2,0,0]=4 566 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [0,0,1,1,0,0|1,0,1]=4 567 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [0,0,1,1,0,0|2,0,0]=4 568 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,0,1,1,0,0|2,0,0]=4 569 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [0,0,1,1,0,0|2,0,0]=4 570 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,0,0,1,0,1|1,0,0]=3 571 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,0,0,0,0,1|1,0,1]=4 573 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,0,0,0,0,1|0,0,2]=4 574 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [1,0,0,0,0,1|1,0,1]=4 575 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [1,0,0,0,0,1|1,0,1]=4 576 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [1,0,0,0,0,1|0,0,2]=4 577 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,1|1,0,1]=4 578 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,1|0,0,2]=4 579 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,1|0,0,2]=4 580 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,0,0,0,0,1|0,0,2]=4 581 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,0,0,0,0,1|2,0,0]=4 582 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,0,0,0,0,1|2,0,0]=4 583 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,0,0,0,0,1|1,0,1]=4 584 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,0,0,0,0,1|1,0,1]=4 585 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [1,0,0,0,0,1|2,0,0]=4 586 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,0,0,0,0,1|1,0,1]=4 587 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,1|2,0,0]=4 588 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,0,0,0,0,1|1,0,1]=4 589 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,0,0,0,0,1|1,0,0]=3 590 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,1|0,0,1]=3 591 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [1,0,0,0,0,1|1,0,0]=3 592 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,0,0,0,0,1|0,0,1]=3 593 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,0,0,0,0,1|2,0,0]=4 594 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,0,0,0,0,1|1,0,1]=4 595 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [1,0,0,0,0,1|1,1,0]=4 596 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,0,0,0,2|2,0,0]=4 597 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,0,0,0,2|2,0,0]=4 598 B10R1.18 CC(=CC1=CC=CCC1)C CNP0608490.0 [0,0,0,0,0,2|2,0,0]=4 599 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,0,2|2,0,0]=4 600 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,0,2|1,0,0]=3 601 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,0,2|1,0,0]=3 602 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,0,2|1,0,0]=3 603 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,0,0,0,2|0,0,1]=3 604 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,0,0,0,0,2|1,0,0]=3 605 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,0,2|1,1,0]=4 606 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,0,2|2,0,0]=4 607 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,0,0,0,0,2|2,0,0]=4 608 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,0,2|2,0,0]=4 609 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,0,2|2,0,0]=4 610 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,0,2|2,0,0]=4 611 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,0,0,0,2|1,0,1]=4 612 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,0,2|2,0,0]=4 613 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,0,0,0,2|1,0,0]=3 614 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,0,0,0,2|1,0,0]=3 615 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,0,0,0,0,2|1,0,0]=3 616 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [0,0,0,0,0,2|2,0,0]=4 617 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,0,0,0,0,2|2,0,0]=4 618 B10R1.66 O=C(O)C=CC1=CN=CN1 CNP0254048.0 [0,0,0,0,0,2|2,0,0]=4 619 B10R1.66 O=C(O)CCC1=CN=CN1 CNP0491849.0 [0,0,0,0,0,2|2,0,0]=4