0 B9R1.35 CC(=O)C1=CC(C)=NO1 W6915 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 CC(=O)C1=CNC(C)=N1 2255AC [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC(=O)C1=NC(C)=CN1 2011AB [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CC(=O)C1=NOC(C)=N1 9502AH [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC1=CC(B(O)O)=NN1 Z3921 [0,0,0,0,0,0|1,0,1]=2 5 B9R1.35 CC1=CC(C(=O)O)=CO1 Y8297 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 CC1=CN=C(C(=O)[O-])S1 X8956 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 CC1=NC=C(C(N)=O)O1 3322AC [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 CC1=NOC(B(O)O)=C1 2358AJ [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 CC1=NOC(C(C)O)=C1 W8052 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.35 CN1N=NC(C(=O)O)=N1 X3990 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.35 NC1=CC=C(C(=O)O)N1 3677AC [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 NC1=CN=C(C(=O)O)S1 6796AB [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 NC1=CNC(C(=O)O)=C1 7817AA [0,0,0,0,0,0|2,0,1]=3 14 B9R1.35 NC1=NC(C(=O)O)=CN1 3411AC [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 O=C(O)C1=COC(F)=N1 X6415 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 O=C(O)C1=CSC(F)=C1 2919AL [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 O=C1NCC(C(=O)O)N1 5596AJ [0,0,0,0,0,0|3,0,1]=4 18 B8R1.1 CC1=CC(CO)=CO1 Y6575 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.1 CC1=CN=C(C=O)N1 9102AC [1,0,0,0,0,0|2,0,0]=3 20 B8R1.1 CC1=COC(C=O)=C1 2776AL [1,0,0,0,0,0|2,0,0]=3 21 B8R1.1 CC1=COC(C=O)=N1 4751AF [1,0,0,0,0,0|3,0,0]=4 22 B8R1.1 CC1=NN=C(C=O)S1 3263AJ [1,0,0,0,0,0|1,0,1]=3 23 B8R1.1 CSC1=NNC(N)=C1 X9217 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 O=CC1=CC(F)=CS1 3616AB [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 O=CC1=NNC(Br)=C1 7269AB [1,0,0,0,0,0|1,0,0]=2 26 B8R1.7 CC(=O)C1=COC=N1 9362AH [1,0,0,0,0,0|3,0,0]=4 27 B8R1.7 CC(=O)C1=NC=CO1 W8389 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 CC(=O)C1=NOC=C1 4155AC [1,0,0,0,0,0|2,0,0]=3 29 B8R1.7 NC(=O)C1=COC=N1 Z4456 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 O=C(O)C1=CSC=N1 2475AE [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 O=C(O)C1=NN=CS1 6775AB [1,0,0,0,0,0|1,0,1]=3 32 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 O=C(O)[C@@H]1C=CCN1 Z1675 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.7 O=C([O-])C1=CC=CO1 7350AF [1,0,0,0,0,0|2,0,1]=4 35 B8R1.7 O=C([O-])C1=CC=CO1 7351AF [1,0,0,0,0,0|2,0,1]=4 36 B8R1.7 O=[N+]([O-])C1=CNC=C1 8828AB [1,0,0,0,0,0|2,0,1]=4 37 B10R1.14 CC1=CC(C(=O)NN)=CS1 4925AE [0,1,0,0,0,0|3,0,0]=4 38 B10R1.14 COC(=O)C1=CC(=O)CC1 X3410 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.14 COC(=O)C1=CC(F)=CN1 6491AB [0,1,0,0,0,0|2,0,1]=4 40 B10R1.14 COC(=O)C1=CSC(Cl)=C1 0109AP [0,1,0,0,0,0|3,0,0]=4 41 B10R1.14 COC(=O)C1=NC=C(Cl)S1 X0356 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.31 CCC1=NC=C(C(=O)O)O1 1708AJ [0,1,0,0,0,0|2,0,1]=4 43 B10R1.31 CSC1=NC(C(C)=O)=CN1 9374AH [0,1,0,0,0,0|3,0,0]=4 44 B10R1.31 NC(=O)C1=NNC(CO)=C1 1024AC [0,1,0,0,0,0|1,0,0]=2 45 B10R1.31 NCC1=CC(C(=O)O)=CO1 3933AF [0,1,0,0,0,0|2,0,0]=3 46 B10R1.31 O=C(O)C1=CC=C(CO)N1 6865AC [0,1,0,0,0,0|3,0,0]=4 47 B10R1.31 O=C(O)C1=CSC(CO)=N1 1222AB [0,1,0,0,0,0|3,0,0]=4 48 B10R1.31 O=CC1=CNC(C(=O)O)=C1 1061AC [0,1,0,0,0,0|1,0,2]=4 49 B10R1.31 O=[N+]([O-])C1=CNC(CO)=C1 9476AD [0,1,0,0,0,0|2,0,1]=4 50 B10R1.31 O=[N+]([O-])C1=NNC(CO)=C1 7083AC [0,1,0,0,0,0|1,0,1]=3 51 B10R1.58 CC1=CC([N+](=O)[O-])=NN1C 6364AE [0,1,0,0,0,0|1,0,1]=3 52 B10R1.58 CN1N=C(C(=O)O)CC1=O 0724AD [0,1,0,0,0,0|1,0,1]=3 53 B10R1.59 CC1=C(C(=O)O)SC(=S)N1 8512AB [0,1,0,0,0,0|3,0,0]=4 54 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 3020AE [0,1,0,0,0,0|2,0,0]=3 55 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 0935AE [0,1,0,0,0,0|3,0,0]=4 56 B10R1.59 CC1=CC(N)=C(C(=O)O)N1 1661AC [0,1,0,0,0,0|3,0,0]=4 57 B10R1.59 CC1=CC(N)=C(C(=O)O)S1 0059AA [0,1,0,0,0,0|3,0,0]=4 58 B10R1.194 CC1=C(Br)C(C(=O)O)=NN1 0859AQ [0,1,0,0,0,0|0,0,0]=1 59 B10R1.194 CC1=C(Cl)C([N+](=O)[O-])=NN1 2679AL [0,1,0,0,0,0|1,0,1]=3 60 B10R1.194 CC1=CSC(C(=O)O)=C1N 1700AB [0,1,0,0,0,0|2,0,0]=3 61 B10R1.194 CC1=NSC(C(=O)O)=C1N 6314AB [0,1,0,0,0,0|1,0,1]=3 62 B10R1.194 CC1=[N+]([O-])ON=C1C(=O)O 1824AE [0,1,0,0,0,0|3,0,0]=4 63 B8R0.28 CC(=O)C\C=C\C(=O)O 7022AA [0,0,1,0,0,0|3,0,0]=4 64 B10R1.13 NC1=CN=C(C(=O)O)C=N1 Y3266 [0,0,0,0,0,1|2,0,0]=3 65 B10R1.13 NC1=NN=C(C(=O)O)CS1 9816AC [0,0,0,0,0,1|1,0,2]=4 66 B10R1.13 O=C(O)C1=NC=C(F)C=N1 3368AA [0,0,0,0,0,1|2,0,0]=3 67 B10R1.54 CC(=O)CC1=NN=C(C)O1 0308AF [0,0,0,0,0,1|2,0,1]=4 68 B10R1.54 CC(=O)NC1=NNC(N)=N1 9983AE [0,0,0,0,0,1|3,0,0]=4 69 B10R1.54 CN1C=NC(CC(=O)O)=N1 4628AA [0,0,0,0,0,1|3,0,0]=4 70 B10R1.54 NC1=CN(CC(=O)O)N=C1 0384AQ [0,0,0,0,0,1|3,0,0]=4 71 B10R1.113 CC1=NC(C(=O)O)=NC=C1 Z5358 [0,0,0,0,0,1|2,0,0]=3 72 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 Y8555 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 8289AJ [0,0,0,0,0,1|3,0,0]=4 74 B10R1.113 O=C(O)C1=NC(F)=CN=C1 0752AD [0,0,0,0,0,1|3,0,0]=4 75 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 6183AC [0,0,0,0,0,1|3,0,0]=4 76 B10R1.113 O=C(O)C1=NC=CC(O)=C1 6183AJ [0,0,0,0,0,1|2,0,0]=3 77 B7R1.1 O=CC1=CNN=N1 Z5678 [2,0,0,0,0,0|1,0,1]=4 78 B7R1.1 O=CC1=NN=CO1 X2008 [2,0,0,0,0,0|1,0,1]=4 79 B7R1.1 OCC1=NNN=C1 2970AC [2,0,0,0,0,0|1,0,1]=4 80 B7R1.2 NC1=CC(N)=NN1 6857AA [2,0,0,0,0,0|2,0,0]=4 81 B9R0.7 C\C(=N/NC(N)=O)C(=O)O 8890AD [0,1,1,0,0,0|1,0,1]=4 82 B9R1.21 CSC1=CC(C=O)=NN1 8349AB [1,1,0,0,0,0|0,0,0]=2 83 B9R1.23 CC1=CC(C#N)=NN1C Z2725 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.41 CC1=CON=C1C(=O)O 0980AB [1,1,0,0,0,0|1,0,0]=3 85 B9R1.41 NC1=C(C(=O)O)OC=C1 5003AA [1,1,0,0,0,0|2,0,0]=4 86 B9R1.41 NC1=CSC=C1C(=O)O 2236AB [1,1,0,0,0,0|2,0,0]=4 87 B9R1.41 NC1=CSN=C1C(=O)O 8778AE [1,1,0,0,0,0|1,0,0]=3 88 B9R1.41 O=C(O)C1=C(Br)OC=C1 Z5486 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.41 O=C(O)C1=C(Br)OC=N1 4555AA [1,1,0,0,0,0|2,0,0]=4 90 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 6414AJ [0,1,0,0,0,1|0,0,1]=3 91 B11R1.3 COC1=CN=C(C(C)=O)C=N1 Z1655 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.3 NC(=O)C1=NC=C(CO)N=C1 5660AB [0,1,0,0,0,1|2,0,0]=4 93 B11R1.3 NCC1=CN=C(C(N)=O)C=C1 Y1977 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.3 O=C(O)C1=CC=C(CBr)N=C1 3341AJ [0,1,0,0,0,1|1,0,1]=4 95 B11R1.21 CC1=C(F)N=C(C(=O)O)C=C1 3707AA [0,1,0,0,0,1|1,0,0]=3 96 B11R1.21 CC1=NC=C(C(=O)O)C=C1O 1540AC [0,1,0,0,0,1|1,0,1]=4 97 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)C=C1 3194AB [0,1,0,0,0,1|1,0,1]=4 98 B11R1.21 NC1=CN=C(C(=O)O)C=C1N 6504AA [0,1,0,0,0,1|2,0,0]=4 99 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 4575AC [0,1,0,0,0,1|2,0,0]=4 100 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 5025AJ [0,1,0,0,0,1|2,0,0]=4 101 B11R1.22 COC(=O)C1=NNC(=O)CC1 2351AF [0,1,0,0,0,1|1,0,1]=4 102 B11R1.166 CC1=CC(N)=C(C(N)=O)N=C1 1002AD [0,1,0,0,0,1|2,0,0]=4 103 B11R1.166 CC1=NC(N)=C(C(N)=O)N=C1 6986AB [0,1,0,0,0,1|2,0,0]=4 104 B11R1.166 O=C(O)C1=NNC(=S)NC1=O 8961AE [0,1,0,0,0,1|1,0,0]=3 105 B11R1.23 COC(=O)C1=CC(C)=NC=N1 1480AC [0,1,0,0,0,1|0,0,1]=3 106 B11R1.23 COC(=O)C1=CC(N)=NC=N1 2200AC [0,1,0,0,0,1|1,0,1]=4 107 B11R1.23 COC(=O)C1=NC=CC(C)=N1 Z4587 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.74 CC1=CC(C(=O)O)=NC(N)=N1 7630AE [0,1,0,0,0,1|0,0,1]=3 109 B11R1.74 CC1=CC(F)=CC(C(=O)O)=N1 1356AA [0,1,0,0,0,1|2,0,0]=4 110 B11R1.74 CC1=NC(N)=CC(C(=O)O)=N1 5813AC [0,1,0,0,0,1|1,0,1]=4 111 B11R1.74 NC1=NC(O)=CC(C(=O)O)=N1 8343AE [0,1,0,0,0,1|1,0,1]=4 112 B11R1.159 CC1=C(C(=O)O)N=CN=C1O X9131 [0,1,0,0,0,1|1,0,1]=4 113 B11R1.159 NC1=CN=CC(C(=O)O)=C1O 3077AJ [0,1,0,0,0,1|2,0,0]=4 114 B11R1.159 O=C(O)C1=C(Cl)C(=O)NC=N1 5364AC [0,1,0,0,0,1|1,0,0]=3 115 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O X8744 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.159 O=C(O)C1=NC=NC(Cl)=C1Cl 5365AC [0,1,0,0,0,1|1,0,1]=4 117 B11R1.167 CC1=C(C(=O)O)C=C(I)C=N1 0904AQ [0,1,0,0,0,1|2,0,0]=4 118 B11R1.167 CC1=CC(C(=O)O)=C(Br)N=C1 0132AC [0,1,0,0,0,1|1,0,0]=3 119 B11R1.167 CC1=CN=C(Cl)C(C(N)=O)=C1 9971AB [0,1,0,0,0,1|2,0,0]=4 120 B11R1.167 CC1=CNC(=O)C(C(N)=O)=C1 3304AC [0,1,0,0,0,1|2,0,0]=4 121 B11R1.167 NC1=CNC(=O)C(C(=O)O)=C1 Y3265 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.266 NCC1=CC(C(N)=O)=CN=C1 6456AB [0,1,0,0,0,1|2,0,0]=4 123 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 5377AC [0,1,0,0,0,1|1,0,1]=4 124 B11R1.15 CCOC(=O)C1=COC(C)=C1 2372AB [0,2,0,0,0,0|2,0,0]=4 125 B11R1.15 CCOC(=O)C1=NOC(I)=C1 4101AJ [0,2,0,0,0,0|2,0,0]=4 126 B11R1.44 COC(=O)C1=CC(CBr)=CS1 7965AB [0,2,0,0,0,0|2,0,0]=4 127 B11R1.44 COC(=O)C1=CC(OC)=NO1 4259AJ [0,2,0,0,0,0|1,0,1]=4 128 B11R1.226 CNC(=O)C1=NN(C)C(C)=C1 8870AJ [0,2,0,0,0,0|1,0,0]=3 129 B11R1.226 COC(=O)C1=NN(C)C(I)=C1 3310AA [0,2,0,0,0,0|1,0,0]=3 130 B11R1.865 COC(=O)C1=C(C)C(C)=CN1 6988AB [0,2,0,0,0,0|1,0,1]=4 131 B11R1.48 CC1=C(CN)C=C(C(=O)O)O1 3456AE [0,2,0,0,0,0|2,0,0]=4 132 B11R1.48 CC1=CC([N+](=O)[O-])=NN1CCl 3906AF [0,2,0,0,0,0|1,0,1]=4 133 B11R1.48 O=C(O)C1=CC(CCl)=C(Cl)S1 2512AD [0,2,0,0,0,0|2,0,0]=4 134 B11R1.124 CCCC1=CC(C(=O)O)=CS1 1721AF [0,2,0,0,0,0|2,0,0]=4 135 B11R1.124 CCCC1=NOC(C(=O)O)=C1 4494AD [0,2,0,0,0,0|1,0,1]=4 136 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 2725AD [0,2,0,0,0,0|2,0,0]=4 137 B11R1.175 CC(C)C1=NN=C(C(=O)O)O1 6209AC [0,2,0,0,0,0|1,0,1]=4 138 B11R1.175 CC(C)N1C=NC(C(=O)O)=C1 Y4696 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.175 O=C(O)C1=NSC([N+](=O)[O-])=C1 3352AH [0,2,0,0,0,0|2,0,0]=4 140 B11R1.64 CC1=C(CO)C(C(=O)O)=NO1 9022AC [0,2,0,0,0,0|1,0,0]=3 141 B9R1.6 O=C(O)C1=CCCNC1 Y1163 [0,0,1,1,0,0|1,0,1]=4 142 B9R1.2 O=CC1=CC(Cl)=NC=N1 X4366 [1,0,0,0,0,1|1,0,1]=4 143 B9R1.2 O=CC1=NC=CC(F)=C1 1362AA [1,0,0,0,0,1|2,0,0]=4 144 B9R1.13 O=C(O)CC1=COC=C1 4503AA [1,0,0,0,0,1|2,0,0]=4 145 B9R1.13 O=C(O)CC1=NN=CO1 X3750 [1,0,0,0,0,1|1,0,1]=4 146 B9R1.13 O=C(O)CN1C=CN=N1 3090AA [1,0,0,0,0,1|1,0,1]=4