0 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CC(N)=NN1 P14350 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 CC(=O)C1=CNC(Br)=C1 AC9410 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC(=O)C1=NN(C)C=N1 91785 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC1=CC(B(O)O)=CS1 AT11001 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 CC1=CC(C(=O)O)=CO1 AT17486 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 CC1=CC([C@H](C)O)=NO1 AT19829 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 CC1=COC(C(=O)O)=N1 94252 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 CC1=NSC([N+](=O)[O-])=C1 D76872 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.35 CC1CC(C(=O)O)CN1 AT24890 [0,0,0,0,0,0|1,0,3]=4 11 B9R1.35 CN1C=NC(B(O)O)=C1 A51202 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 CN1N=CC(C(=O)O)=N1 AT25233 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CN1 AT24897 [0,0,0,0,0,0|1,0,3]=4 14 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CN1 AT24899 [0,0,0,0,0,0|1,0,3]=4 15 B9R1.35 C[C@H](O)C1=CN(C)C=N1 P12387 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 C[C@H]1C[C@H](C(=O)O)CN1 AT24892 [0,0,0,0,0,0|1,0,3]=4 17 B9R1.35 C[C@H]1C[C@H](C(=O)O)CN1 AT24894 [0,0,0,0,0,0|1,0,3]=4 18 B9R1.35 NC1=NN=C(C(=O)[O-])O1 AT24497 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 O=C(O)C1=CC(Cl)=NS1 AT21207 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.35 O=C(O)C1=CC(F)=NN1 E72836 [0,0,0,0,0,0|1,0,2]=3 21 B9R1.35 O=C(O)C1=COC(Cl)=C1 AT17316 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.35 O=C(O)C1=CSC(F)=C1 P10264 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 O=C(O)C1=NC(Br)=CN1 AT15621 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.35 O=C(O)C1=NSC(Br)=C1 AT21100 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.35 O=C(O)C1=NSC(I)=C1 AT21162 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.35 O=C1N=C(C(=O)O)NO1 D73603 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 AT13973 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.1 CC1=CC(C=O)=NS1 F14135 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.1 CC1=COC(C=O)=C1 P11782 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.1 CC1=NSC(CO)=C1 AT21143 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.1 CN1C=C(CO)N=N1 AC6789 [1,0,0,0,0,0|1,0,2]=4 32 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.1 O=CC1=CC(F)=CS1 D74660 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.1 O=CC1=CNC(I)=C1 AC9285 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.1 OCC1=NNC(Br)=C1 D75509 [1,0,0,0,0,0|1,0,1]=3 36 B8R1.1 OCC1=NNC(Br)=N1 D75680 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.7 C[C@H](N)C1=NNC=C1 32103 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.7 C[C@H](O)C1=NOC=C1 AT21815 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.7 O=C(O)C1=NN=CO1 D74898 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.7 O=C(O)[C@@H]1C=CCC1 E72837 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.14 CCC(=O)C1=NOC(N)=C1 88478 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.14 COC(=O)C1=CC(=O)NS1 D77112 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.14 COC(=O)C1=CC(Cl)=CN1 P18992 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.14 COC(=O)C1=CC(O)=CN1 D75981 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.31 CCC1=CC=C(C(=O)O)N1 D74884 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.31 CCN1C=C(C(=O)O)N=N1 AC8682 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.31 CCN1C=NC(C(=O)O)=N1 AT21346 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.31 COC1=CC(C(=O)O)=NN1 D77183 [0,1,0,0,0,0|0,0,0]=1 50 B10R1.31 COC1=NSC(C(=O)O)=C1 AT11833 [0,1,0,0,0,0|1,0,1]=3 51 B10R1.31 COC1=NSC(C(C)=O)=C1 AT11832 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.31 N#CC1=CC([N+](=O)[O-])=NN1 F53803 [0,1,0,0,0,0|1,0,2]=4 53 B10R1.31 NCC1=NC(C(=O)O)=CN1 AT15455 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.31 O=C(O)C1=CSC(CCl)=N1 C77454 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.58 CC1=NC(C(=O)[O-])=NN1C AT21349 [0,1,0,0,0,0|1,0,1]=3 56 B10R1.58 CN1N=C(C(=O)O)C=C1F E72900 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.58 CN1N=C(C(=O)O)N=C1Br AT12338 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.58 CN1N=C(C(=O)O)N=C1O C77417 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.59 CC1=CN(N)C(C(N)=O)=C1 P11521 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.59 CC1=NC(C(=O)O)=C(Br)S1 AT26863 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.59 CN1C=C(C(=O)O)C(Cl)=N1 AT10390 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.59 CN1NC(=O)C=C1C(=O)O D72123 [0,1,0,0,0,0|1,0,1]=3 63 B10R1.194 CC1=C(F)C(C(=O)O)=NN1 W13698 [0,1,0,0,0,0|0,0,0]=1 64 B10R1.194 CC1=CN=C(C(=O)O)N1C AT22510 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.194 CC1=CSC(C(=O)O)=C1N 35392 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.194 CC1=NSC(C(=O)O)=C1N AT21211 [0,1,0,0,0,0|1,0,1]=3 67 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 P11016 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.194 O=C(O)C1=NNC(Cl)=C1Cl F12449 [0,1,0,0,0,0|1,0,0]=2 69 B8R1.31 O=C(O)[C@@H]1CNC1=O D72827 [0,0,0,0,1,0|2,0,1]=4 70 B10R1.13 CC(=O)C1=NC=C(O)C=N1 AT23878 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.13 CC1=CN=C(C(=N)N)N=C1 P13828 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.13 O=C(O)C1=NC=C(O)C=N1 H11150 [0,0,0,0,0,1|2,0,0]=3 73 B10R1.54 CC1=CN=C(CC(=O)[O-])O1 AT23460 [0,0,0,0,0,1|2,0,1]=4 74 B10R1.54 CC1=CN=C(CC(=O)[O-])O1 AT23461 [0,0,0,0,0,1|2,0,1]=4 75 B10R1.54 CC1=NN=C(CC(=O)O)S1 72704 [0,0,0,0,0,1|1,0,1]=3 76 B10R1.54 CN1C=C(CC(=O)O)N=N1 C91530 [0,0,0,0,0,1|1,0,1]=3 77 B10R1.54 NC1=CN(CC(=O)O)N=C1 D77107 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 P12957 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.54 O=C(O)CN1C=C(I)N=N1 D76905 [0,0,0,0,0,1|2,0,1]=4 80 B10R1.113 CC(=O)C1=NC(C)=CC=N1 P10715 [0,0,0,0,0,1|3,0,0]=4 81 B7R0.5 C\C=C\[C@H](C)C(=O)O AC9353 [1,0,1,0,0,0|1,0,1]=4 82 B7R1.1 CCC1=NNC=C1 D77034 [2,0,0,0,0,0|1,0,1]=4 83 B7R1.1 CSC1=NNC=C1 W10957 [2,0,0,0,0,0|2,0,0]=4 84 B7R1.1 O=CC1=CC=NO1 C73163 [2,0,0,0,0,0|1,0,1]=4 85 B7R1.1 O=CC1=NNC=N1 C15565 [2,0,0,0,0,0|1,0,0]=3 86 B7R1.1 O=CC1=NON=C1 D74167 [2,0,0,0,0,0|2,0,0]=4 87 B7R1.1 O=CC1=NSN=C1 AT12124 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.23 CN1N=C(C=O)C=C1Br AT24034 [1,1,0,0,0,0|1,0,0]=3 89 B9R1.23 CN1N=C(CO)C=C1Br AT24033 [1,1,0,0,0,0|1,0,1]=4 90 B9R1.41 O=C(O)C1=C(Br)C=NS1 AT21094 [1,1,0,0,0,0|1,0,1]=4 91 B9R1.41 O=C(O)C1=CSC=C1F AT16774 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.41 O=C(O)C1=NNN=C1Cl AT25223 [1,1,0,0,0,0|1,0,0]=3 93 B9R1.41 O=C(O)C1=NOC=C1Br AT19731 [1,1,0,0,0,0|1,0,0]=3 94 B9R1.41 O=C(O)C1=NON=C1O AT24212 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.41 O=C(O)C1=NSC=C1Br AT21160 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.3 NCC1=NC=C(C(=O)O)C=N1 AT18397 [0,1,0,0,0,1|1,0,1]=4 97 B11R1.3 O=C(O)C1=CC=C(CF)C=C1 E72963 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.21 CC1=C(S)C=C(C(=O)O)C=C1 D74668 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.21 CC1=CC(C(=O)O)=NN=C1C AT17788 [0,1,0,0,0,1|0,0,1]=3 100 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=N1 F31272 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=N1 AT23489 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.21 O=C(O)C1=NC(F)=C(Br)C=C1 AT22891 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.22 COC(=O)C1=NN=C(F)C=C1 AT24744 [0,1,0,0,0,1|1,0,1]=4 104 B11R1.166 CC1=C(C(=O)O)N=CC(Cl)=N1 AT24109 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.39 COC(=O)CC1=NN=C(C)O1 D77016 [0,1,0,0,0,1|1,0,1]=4 106 B11R1.43 CCC1=CN(CC(=O)O)N=C1 AT26747 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.23 COC(=O)C1=CN=NC(C)=C1 E71799 [0,1,0,0,0,1|0,0,1]=3 108 B11R1.74 CC1=CC(C(=O)O)=CC(F)=N1 AT21700 [0,1,0,0,0,1|1,0,1]=4 109 B11R1.74 CC1=NC(Br)=NC(C(=O)O)=C1 AT21615 [0,1,0,0,0,1|0,0,1]=3 110 B11R1.74 CC1=NC(Cl)=NC(C(=O)O)=N1 51883 [0,1,0,0,0,1|1,0,1]=4 111 B11R1.74 NC1=CC(Br)=NC(C(=O)O)=C1 P19210 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.74 NC1=NC(C(=O)O)=CC(Cl)=N1 D76794 [0,1,0,0,0,1|1,0,1]=4 113 B11R1.159 CC1=CN=CC(C(=O)O)=C1C AT13149 [0,1,0,0,0,1|1,0,0]=3 114 B11R1.159 CC1=NC=CC(C(=O)O)=C1Br D88096 [0,1,0,0,0,1|1,0,1]=4 115 B11R1.159 NC1=CN=CC(C(=O)O)=C1N 94389 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.159 O=C(O)C1=C(Cl)C(=O)NC=N1 AT18440 [0,1,0,0,0,1|1,0,0]=3 117 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Br AT15963 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Cl C72015 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.159 O=C(O)C1=CN=CC(F)=C1Cl AT10270 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=N1 AT24032 [0,1,0,0,0,1|1,0,1]=4 121 B11R1.167 O=C(O)C1=CC(Br)=CN=C1I AC8600 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.266 C#CC1=CC(C(=O)O)=NC=C1 AT13151 [0,1,0,0,0,1|1,0,1]=4 123 B11R1.266 CCC1=CC(C(=O)O)=CN=C1 D86036 [0,1,0,0,0,1|1,0,0]=3 124 B11R1.266 NCC1=CC(C(N)=O)=NC=C1 P18767 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.266 O=CC1=CC(C(=O)O)=NC=C1 AT13154 [0,1,0,0,0,1|1,0,1]=4 126 B11R1.44 CCN1C=NC(C(=O)OC)=C1 AT22471 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.225 COC(=O)C1=C(Br)OC(C)=C1 D76216 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.226 COC(=O)C1=NN(C)C(I)=C1 A11664 [0,2,0,0,0,0|1,0,0]=3 129 B11R1.865 COC(=O)C1=C(Br)C(C)=CS1 AT11764 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.865 COC(=O)C1=C(Br)N(C)C=N1 E71842 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.48 CCC1=C(C)N=C(C(=O)O)N1 96263 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.48 CN1N=C(C(=O)O)C=C1C=O AT14150 [0,2,0,0,0,0|0,0,1]=3 133 B11R1.124 COCC1=NC(C(=O)O)=NN1 AT21359 [0,2,0,0,0,0|1,0,0]=3 134 B11R1.175 CC(C)C1=CN=C(C(=O)O)N1 96274 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.64 CN1C=NC(C(=O)O)=C1C=O AT15389 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C92933 [0,0,0,0,0,2|1,0,1]=4 137 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 D86041 [0,0,0,0,0,2|2,0,0]=4 138 B11R1.157 O=C(O)CC1=CC(Cl)=CN=C1 AT23278 [0,0,0,0,0,2|2,0,0]=4 139 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C73248 [0,0,0,0,0,2|2,0,0]=4 140 B11R1.157 O=C(O)CC1=NC=CC(F)=C1 AT23307 [0,0,0,0,0,2|2,0,0]=4