0 B10R1.59 CC(=O)C1=C(N=C(O1)C)C CNP0224102.0 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.59 CC(=O)C1=C(N=C(S1)C)C CNP0002407.0 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.59 CC(=O)C1=C(SC(=C1)C)C CNP0002469.0 [0,0,0,0,0,0|0,1,0]=1 4 B10R1.59 CC(=O)N1N=C(C=C1C)C CNP0131376.0 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.59 CC(=O)N1N=C(C[C@@H]1C)C CNP0180928.2 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.59 CC(=O)N1N=C(C[C@H]1C)C CNP0180928.1 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.59 CC(C)C1=CC(=O)O[C@H]1C CNP0132158.1 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.59 CC1=C(OC(=C1)O)C(=O)O CNP0509473.0 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.59 CC1=C(SC(=N1)N)C(=O)O CNP0463175.0 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.59 CC1=NN(C(=C1)C)C(=O)N CNP0595447.0 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.59 CN1C=C(C=C1C(=O)N)Br CNP0123023.0 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.59 CN1C=C(C=C1C(=O)O)Br CNP0127452.0 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.59 CN1C=[N+](C=C1C(=O)O)C CNP0549952.0 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.59 CN1C=[N+](C=C1C(=O)[O-])C CNP0480508.0 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.59 O=C(O)C1=C(NC(=C1)Br)Br CNP0018025.0 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.22 C=CC1=C(N=C(S1)C)C CNP0002831.0 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.22 CCC1=C(N=C(O1)C)C CNP0002748.0 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.22 CCC1=C(N=C(S1)C)C CNP0002546.0 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.22 CCC1=C(OC(=N1)C)C CNP0331848.0 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.22 CCC1=C(SC(=N1)C)C CNP0002547.0 [1,0,0,0,0,0|1,1,1]=4 22 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.35 CC1=CC(=NO1)C(=O)N CNP0222722.0 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [1,0,0,0,0,0|1,0,2]=4 41 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.41 CC1=C(OC=N1)C(=O)N CNP0037619.0 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.50 CSC1=NC(=C(S1)C(=O)C)N CNP0188361.0 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.225 COC(=O)C1=CN(C=[N+]1C)C CNP0429171.0 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.225 COC(=O)C1=C[N+](=CN1C)C CNP0561659.0 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.225 COC(=O)N1N=C(C=C1C)C CNP0064291.0 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.672 CC1=C(C(=C(S1)C(=O)O)C)C CNP0236757.0 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.673 CC(=O)C1=C(N(C=C1C)C)C CNP0055071.0 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.673 CC(=O)C1=C(OC(C1=O)C)C CNP0337023.0 [0,1,0,0,0,0|0,0,1]=2 57 B11R1.673 CC(=O)[C@@H]1C(=O)C=C(C1=O)C CNP0363698.1 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.673 CC(=O)[C@H]1C(=O)C=C(C1=O)C CNP0363698.2 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.673 CC1=C([C@@H](OC1=O)C)C(=O)O CNP0355354.2 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.673 CC1=C([C@H](OC1=O)C)C(=O)O CNP0355354.1 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.673 CC1=NN(C(=C1C(=O)O)C)C CNP0432021.0 [0,1,0,0,0,0|3,0,0]=4 62 B9R0.33 CN=CC(C(=O)C)C(=O)C CNP0384342.0 [0,0,1,0,0,0|1,0,2]=4 63 B9R0.39 C=C[C@@H](/C=C(\C)/O)C(=C)C CNP0147536.1 [0,0,1,0,0,0|1,0,2]=4 64 B9R0.39 COC(=CC(=O)O)C(=O)O CNP0187597.0 [0,0,1,0,0,0|3,0,0]=4 65 B9R0.48 CC=CC(=CC=C(C)C)C CNP0423070.0 [0,0,1,0,0,0|2,0,0]=3 66 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,0,1,0,0,0|2,0,1]=4 67 B9R0.53 C=C(C)C=C(C)CC(=C)C CNP0509803.0 [0,0,1,0,0,0|2,0,0]=3 68 B9R0.53 CC(=O)C=C(C)OC(=O)C CNP0367502.0 [0,0,1,0,0,0|1,0,0]=2 69 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [0,0,1,0,0,0|1,0,2]=4 70 B9R0.53 CC(=O)OC(C)OC(=O)C CNP0079847.0 [0,0,1,0,0,0|2,0,1]=4 71 B11R2.66 O=C1CCC2=C1C=C(S2)Cl CNP0193602.0 [0,0,0,1,0,0|1,1,0]=3 72 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O CNP0352952.0 [0,0,0,0,0,1|3,0,0]=4 73 B11R1.74 CC(=O)C1=CC(=NC(=C1)O)C CNP0546674.0 [0,0,0,0,0,1|2,0,0]=3 74 B11R1.74 CC(=O)C1=CC(=O)NC(=C1)C CNP0143897.0 [0,0,0,0,0,1|2,0,0]=3 75 B11R1.74 CC1=CC(=CC(=C1)C(=N)N)C CNP0455721.0 [0,0,0,0,0,1|3,0,0]=4 76 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CNP0063069.0 [0,0,0,0,0,1|2,0,0]=3 77 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C CNP0469512.0 [0,0,0,0,0,1|2,0,0]=3 78 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)N CNP0441939.0 [0,0,0,0,0,1|3,0,0]=4 79 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C CNP0172814.0 [0,0,0,0,0,1|2,0,1]=4 80 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])C CNP0484897.0 [0,0,0,0,0,1|3,0,0]=4 81 B11R1.74 CC1=CC(=CC(=O)N1)C(=O)O CNP0398097.0 [0,0,0,0,0,1|3,0,0]=4 82 B11R1.74 O=C1C=C(CC(=O)O1)C(=O)O CNP0095523.0 [0,0,0,0,0,1|3,0,0]=4 83 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,0,0,0,0,1|1,0,0]=2 84 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,0,0,0,0,1|2,0,0]=3 85 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,0,0,0,0,1|2,0,0]=3 86 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,0,0,0,0,1|3,0,0]=4 87 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,0,0,0,0,1|3,0,0]=4 88 B11R1.166 CC(=O)C1=CC=C(OC1O)C CNP0457804.0 [0,0,0,0,0,1|1,0,1]=3 89 B11R1.166 CC(=O)C1=CNC(=O)C[C@@H]1C CNP0280551.1 [0,0,0,0,0,1|2,0,1]=4 90 B11R1.166 CC(=O)C1=CNC(=O)C[C@H]1C CNP0280551.2 [0,0,0,0,0,1|2,0,1]=4 91 B11R1.166 CC(=O)C1=CNC(=O)NC1=O CNP0566065.0 [0,0,0,0,0,1|3,0,0]=4 92 B11R1.166 CC(=O)C1=NC=C(N=C1C)C CNP0361229.0 [0,0,0,0,0,1|1,0,0]=2 93 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,0,0,0,0,1|3,0,0]=4 94 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O CNP0491726.0 [0,0,0,0,0,1|3,0,0]=4 95 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,0,0,0,0,1|2,0,0]=3 96 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,0,0,0,0,1|2,0,0]=3 97 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [0,0,0,0,0,1|2,0,1]=4 98 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,0,0,0,0,1|3,0,0]=4 99 B11R1.166 CC1=NC(=NC=C1C(=O)O)N CNP0397736.0 [0,0,0,0,0,1|3,0,0]=4 100 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,0,0,0,0,1|3,0,0]=4 101 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,0,0,0,0,1|2,0,0]=3 102 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,0,0,0,0,1|3,0,0]=4 103 B11R1.167 CC(=O)C1=NC(=CN=C1C)C CNP0205737.0 [0,0,0,0,0,1|2,0,0]=3 104 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [0,0,0,0,0,1|2,0,0]=3 105 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,0,0,0,0,1|2,0,0]=3 106 B11R1.167 CC1=CC=C(C(=C1)C(C)C)C CNP0319974.0 [0,0,0,0,0,1|2,0,1]=4 107 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C CNP0535896.0 [0,0,0,0,0,1|3,0,0]=4 108 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,0,0,0,0,1|3,0,0]=4 109 B11R1.645 CC(=O)OC1=CC(=O)OC1=O CNP0292888.0 [0,0,0,0,0,1|2,0,0]=3 110 B11R1.645 C[C@@H]1C=C(C(=O)O1)CC(=O)O CNP0439179.1 [0,0,0,0,0,1|2,0,1]=4 111 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [1,0,1,0,0,0|0,0,2]=4 112 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [1,0,1,0,0,0|1,0,1]=4 113 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [1,0,1,0,0,0|1,0,1]=4 114 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [1,0,1,0,0,0|2,0,0]=4 115 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [1,0,1,0,0,0|2,0,0]=4 116 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,0,1,0,0,0|1,0,1]=4 117 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,1,0,0,0|1,0,1]=4 118 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [1,0,1,0,0,0|0,0,2]=4 119 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [1,0,1,0,0,0|1,0,1]=4 120 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [1,0,1,0,0,0|1,0,1]=4 121 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [1,0,1,0,0,0|0,0,2]=4 122 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [1,0,1,0,0,0|2,0,0]=4 123 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [1,0,1,0,0,0|2,0,0]=4 124 B8R0.28 C=C(C)C=CCC(=C)C CNP0611898.0 [1,0,1,0,0,0|2,0,0]=4 125 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [1,0,1,0,0,0|1,0,1]=4 126 B8R1.1 CC1=CC(=NO1)N=O CNP0071254.0 [2,0,0,0,0,0|2,0,0]=4 127 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [2,0,0,0,0,0|2,0,0]=4 128 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [2,0,0,0,0,0|2,0,0]=4 129 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [2,0,0,0,0,0|2,0,0]=4 130 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [2,0,0,0,0,0|1,0,1]=4 131 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [2,0,0,0,0,0|1,0,1]=4 132 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [2,0,0,0,0,0|2,0,0]=4 133 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [2,0,0,0,0,0|2,0,0]=4 134 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [2,0,0,0,0,0|1,0,0]=3 135 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [2,0,0,0,0,0|1,0,0]=3 136 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [2,0,0,0,0,0|0,0,0]=2 137 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [2,0,0,0,0,0|0,1,0]=3 138 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [2,0,0,0,0,0|1,0,1]=4 140 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [2,0,0,0,0,0|1,0,1]=4 141 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [2,0,0,0,0,0|1,0,0]=3 142 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [2,0,0,0,0,0|1,1,0]=4 143 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [2,0,0,0,0,0|0,1,0]=3 148 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [2,0,0,0,0,0|0,0,2]=4 151 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [2,0,0,0,0,0|1,0,0]=3 152 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [2,0,0,0,0,0|1,0,0]=3 154 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [2,0,0,0,0,0|1,1,0]=4 156 B10R0.118 COC(=O)C(=C(C)O)C(=O)C CNP0471178.0 [0,1,1,0,0,0|1,0,0]=3 157 B10R0.44 COC(=O)C=C(C)NC(=O)C CNP0034645.0 [0,1,1,0,0,0|2,0,0]=4 158 B10R1.32 CCC1=C(OC(=N1)C)CC CNP0002746.0 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.35 COC1=CC(=C(O1)C=O)C CNP0484703.0 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.130 CSSC1=C(OC(=C1)C)C CNP0237474.0 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.256 CC1=NN(C(=C1C=O)C)C CNP0448242.0 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.256 CCC1=C(NC(=C1C)C)C CNP0244315.0 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.256 COC1=C(O[C@@H](C1=O)C)C CNP0239878.1 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.14 CCC(=O)C1=CC=C(S1)C CNP0030242.0 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.14 COC(=O)C1=CC(=CN1)C CNP0393568.0 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.14 COC(=O)C1=NOC(=C1)C CNP0325290.0 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.31 CC(=O)C1=CC=C(O1)CO CNP0125876.0 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.31 CC(=O)C1=CNC(=C1)CO CNP0246623.0 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.31 CCC1=CC(=CO1)[N+](=O)[O-] CNP0528547.0 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.31 COC1=CC=C(O1)C(=O)C CNP0311546.0 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.31 O=C(O)C1=COC(=C1)CO CNP0104360.0 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.194 CC1=C(C(=CO1)C(=O)O)O CNP0507263.0 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.39 CC(=O)C1=CNC=C1CO CNP0148283.0 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.39 CCN1C=CC=C1C(=O)C CNP0359899.0 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.39 COC1=C(OC=C1)C(=O)C CNP0427618.0 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.149 CCC(=O)C1=CC=CN1C CNP0151134.0 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.149 COC(=O)C1=CC=NN1C CNP0027219.0 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.11 COC1=CC(=CC(=C1)C(=O)O)C CNP0589100.0 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.11 COC1=CC(=O)OC(=C1)C(=O)C CNP0295805.0 [0,1,0,0,0,1|2,0,0]=4 181 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)C CNP0134842.0 [0,1,0,0,0,1|2,0,0]=4 182 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)C)O)C CNP0169307.0 [0,1,0,0,0,1|1,0,0]=3 183 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O CNP0192461.0 [0,1,0,0,0,1|2,0,0]=4 184 B12R1.57 C=C(C)C1=CC=C(C=C1OC)C CNP0333087.0 [0,1,0,0,0,1|2,0,0]=4 185 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,1,0,0,0,1|1,0,0]=3 186 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [0,1,0,0,0,1|2,0,0]=4 187 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,1,0,0,0,1|2,0,0]=4 188 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,1,0,0,0,1|2,0,0]=4 189 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C CNP0171746.0 [0,1,0,0,0,1|2,0,0]=4 190 B12R1.232 CC1=NC(=C(N=C1C)C(=O)O)C CNP0225185.0 [0,1,0,0,0,1|2,0,0]=4 191 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [0,1,0,0,0,1|2,0,0]=4 192 B12R1.452 COC1=CC=C(C(=C1)C)C(=O)O CNP0457363.0 [0,1,0,0,0,1|2,0,0]=4 193 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)C CNP0324617.0 [0,1,0,0,0,1|2,0,0]=4 194 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,1,0,0,0,1|1,0,0]=3 195 B12R1.893 CC1=CC=C(C(=C1C)C)C(=O)O CNP0133340.0 [0,1,0,0,0,1|2,0,0]=4 196 B12R1.1000 CC(=N)C1=C(C=C(OC1=O)C)O CNP0074250.0 [0,1,0,0,0,1|2,0,0]=4 197 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)O CNP0488335.0 [0,1,0,0,0,1|2,0,0]=4 198 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C CNP0142841.0 [0,1,0,0,0,1|2,0,0]=4 199 B12R1.1000 CC(=O)C1=C(C=C(OC1=O)C)O CNP0309619.0 [0,1,0,0,0,1|1,0,0]=3 200 B12R1.1000 CC(=O)C1=C(N[C@@H](CC1=O)C)C CNP0321098.1 [0,1,0,0,0,1|1,0,1]=4 201 B12R1.1000 CC(=O)C1=C(N[C@H](CC1=O)C)C CNP0321098.2 [0,1,0,0,0,1|1,0,1]=4 202 B12R1.1000 CC(=O)C1=C(OC(=CC1=O)C)O CNP0290556.0 [0,1,0,0,0,1|1,0,0]=3 203 B12R1.1000 CC(=O)C1=C(OC(=CC1=O)C)[O-] CNP0531327.0 [0,1,0,0,0,1|1,0,0]=3 204 B12R1.1000 CC(=O)C1=C(S[C@H](CC1=O)C)C CNP0303365.1 [0,1,0,0,0,1|0,1,1]=4 205 B12R1.1000 CC(=O)[C@@H]1C(=O)C=C(OC1=O)C CNP0129464.2 [0,1,0,0,0,1|1,0,1]=4 206 B12R1.1000 CC(=O)[C@H]1C(=O)C=C(OC1=O)C CNP0129464.1 [0,1,0,0,0,1|1,0,1]=4 207 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)Cl)C CNP0037744.0 [0,1,0,0,0,1|2,0,0]=4 208 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)O)C CNP0444261.0 [0,1,0,0,0,1|2,0,0]=4 209 B12R1.1000 CC1=CC(=C(C(=N1)C)C(=O)O)C CNP0551550.0 [0,1,0,0,0,1|2,0,0]=4 210 B12R1.1000 CC1=CC(=C(C(=N1)N)C(=O)O)C CNP0236536.0 [0,1,0,0,0,1|2,0,0]=4 211 B12R1.1000 CC1=CC(=O)C(=C(C)N)C(=O)O1 CNP0353528.0 [0,1,0,0,0,1|2,0,0]=4 212 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C CNP0133346.0 [0,1,0,0,0,1|2,0,0]=4 213 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,1,0,0,0,1|1,0,0]=3 214 B12R1.1703 COC(=O)C1=CC=C(C=C1C)O CNP0298795.0 [0,1,0,0,0,1|2,0,0]=4 215 B12R1.453 COC1=CC=C(C(=C1)C(=O)C)O CNP0250088.0 [0,1,0,0,0,1|2,0,0]=4 216 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)C CNP0460157.0 [0,1,0,0,0,1|2,0,0]=4 217 B12R1.894 CC1=CC=C(C(=C1C)C(=O)O)C CNP0199373.0 [0,1,0,0,0,1|2,0,0]=4 218 B12R1.894 CC1=CC=C(C(=C1O)C(=O)O)C CNP0351770.0 [0,1,0,0,0,1|2,0,0]=4 219 B12R1.532 COC(=O)CC1=C[C@H](OC1=O)C CNP0536815.1 [0,1,0,0,0,1|1,0,1]=4 220 B12R1.854 CC(=O)OC1=C(OC(C1=O)C)C CNP0003152.0 [0,1,0,0,0,1|0,0,1]=3 221 B12R1.1979 CC[C@H]1OC(=O)C(=C1O)C(=O)C CNP0550191.1 [0,2,0,0,0,0|1,0,1]=4 222 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,0,1,1,0,0|1,0,1]=4 223 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,0,1,1,0,0|1,0,1]=4 224 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,0,1,1,0,0|2,0,0]=4 225 B10R1.30 CCC1=C[C@@H](CCC1=O)O CNP0306818.1 [0,0,1,1,0,0|0,0,2]=4 226 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,0,1,1,0,0|1,0,1]=4 227 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,0,1,1,0,0|0,0,2]=4 228 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,0,1,1,0,0|1,0,1]=4 229 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,1,1,0,0|0,0,2]=4 230 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,0,1,1,0,0|0,0,2]=4 231 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [1,0,0,1,0,0|0,1,0]=3 232 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,0,0,1,0,1|1,0,0]=3 233 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,0,0,1,0,1|2,0,0]=4 234 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,0,0,1,0,1|2,0,0]=4 235 B12R2.3028 CC1=CC(=C2C(=O)CC2=C1)C CNP0342183.0 [0,0,0,1,0,1|1,0,0]=3 236 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,0,0,1,0,1|1,0,0]=3 237 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,0,0,1,0,1|2,0,0]=4 238 B12R2.213 O=C1C2=C(C[C@@H]1Br)SC(=C2)Cl CNP0064476.1 [0,1,0,1,0,0|1,1,0]=4 239 B12R2.213 O=C1C2=C(C[C@H]1Br)SC(=C2)Cl CNP0064476.2 [0,1,0,1,0,0|1,1,0]=4 240 B10R1.8 C=CC1=CC(=CC(=C1)C)C CNP0039391.0 [1,0,0,0,0,1|1,0,1]=4 241 B10R1.8 CC1=CC(=CC(=C1)C=O)C CNP0196447.0 [1,0,0,0,0,1|1,0,0]=3 242 B10R1.8 CC1=CC(=CC(=C1)C=O)O CNP0067641.0 [1,0,0,0,0,1|2,0,0]=4 243 B10R1.8 CCC1=CC(=CC(=C1)C)C CNP0504620.0 [1,0,0,0,0,1|1,0,1]=4 244 B10R1.8 CCC1=CC(=CC(=N1)C)C CNP0160210.0 [1,0,0,0,0,1|1,0,1]=4 245 B10R1.8 CCC1=CC(=NC(=C1)C)C CNP0234681.0 [1,0,0,0,0,1|1,0,1]=4 246 B10R1.8 COC1=CC(=CC(=C1)C)C CNP0153704.0 [1,0,0,0,0,1|2,0,0]=4 247 B10R1.8 COC1=CC(=O)OC(=C1)C CNP0494967.0 [1,0,0,0,0,1|2,0,0]=4 248 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [1,0,0,0,0,1|1,0,1]=4 249 B10R1.25 C=CC1=NC=C(N=C1C)C CNP0178869.0 [1,0,0,0,0,1|1,0,1]=4 250 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [1,0,0,0,0,1|1,0,0]=3 251 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,0,0,0,0,1|2,0,0]=4 252 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,0,0,0,0,1|1,0,1]=4 253 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [1,0,0,0,0,1|1,0,1]=4 254 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,0,0,0,0,1|2,0,0]=4 255 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [1,0,0,0,0,1|2,0,0]=4 256 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,0,0,0,0,1|2,0,0]=4 257 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,0,0,0,0,1|2,0,0]=4 258 B10R1.13 C=C(C)C1=CCC(=CC1)C CNP0603428.0 [1,0,0,0,0,1|2,0,0]=4 259 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,0,0,0,0,1|2,0,0]=4 260 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,0,0,0,0,1|1,0,0]=3 261 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,0,0,0,0,1|2,0,0]=4 262 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,0,0,0,0,1|2,0,0]=4 263 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,0,0,0,0,1|2,0,0]=4 264 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,0,0,0,0,1|1,0,0]=3 265 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [1,0,0,0,0,1|1,0,1]=4 266 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,0,0,0,0,1|1,0,0]=3 267 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [1,0,0,0,0,1|1,0,0]=3 268 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,0,0,0,0,1|2,0,0]=4 269 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,0,0,0,0,1|2,0,0]=4 270 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,0,0,0,0,1|2,0,0]=4 271 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,0,0,0,0,1|2,0,0]=4 272 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [1,0,0,0,0,1|2,0,0]=4 273 B12R1.101 CC(=O)OC1=CC(=CC(=C1)C)C CNP0595654.0 [0,0,0,0,0,2|1,0,0]=3 274 B12R1.101 CC(=O)OC1=CC(=CC(=C1)O)C CNP0121903.0 [0,0,0,0,0,2|2,0,0]=4 275 B12R1.101 CC(=O)OC1=CC(=O)OC(=C1)C CNP0194677.0 [0,0,0,0,0,2|1,0,0]=3 276 B12R1.101 CC1=CC(=CC(=C1)CC(=O)Cl)C CNP0064562.0 [0,0,0,0,0,2|2,0,0]=4 277 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,0,0,0,0,2|1,0,0]=3 278 B12R1.233 CC(=O)NC1=CC=C(C=C1C)Cl CNP0052006.0 [0,0,0,0,0,2|2,0,0]=4 279 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,0,0,0,0,2|2,0,0]=4 280 B12R1.233 CC(=O)OC1=CC=C(C=C1C)O CNP0077014.0 [0,0,0,0,0,2|2,0,0]=4 281 B12R1.127 CC(=O)CC1=CC(=CC=C1O)C CNP0405463.0 [0,0,0,0,0,2|2,0,0]=4 282 B12R1.127 CC(=O)NC1=CC(=CC=C1C)C CNP0227044.0 [0,0,0,0,0,2|1,0,0]=3 283 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Cl CNP0258094.0 [0,0,0,0,0,2|2,0,0]=4 284 B12R1.127 CC(=O)NC1=CC(=CC=C1Cl)C CNP0333851.0 [0,0,0,0,0,2|2,0,0]=4 285 B12R1.127 CC(=O)OC1=CC(=CC=C1C)C CNP0142228.0 [0,0,0,0,0,2|1,0,0]=3