0 B8R1.2 CCC1=NC=CC=N1 D86044 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.2 NCC1=CN=NC=C1 F10917 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 NNC1=CN=NC=C1 AT13036 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.2 OCC1=CCCOC1 AT26645 [0,0,0,0,0,0|1,0,3]=4 5 B8R1.2 OC[C@H]1CCC=CO1 AC9028 [0,0,0,0,0,0|1,0,3]=4 6 B7R1.3 SC1=CN=CC=C1 AT26584 [1,0,0,0,0,0|1,1,0]=3 7 B9R1.1 CC1=CC=C(CN)N=N1 37065 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.1 CC1=NC=C(CCl)C=N1 P10827 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.1 CC1=NN=C(CCl)C=C1 F30432 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.1 CCC1=CC=C(N)N=N1 AT21731 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.1 ClCC1=CN=C(Cl)C=N1 87865 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.1 FC1=CN=C(CCl)N=C1 P11644 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.1 NC1=CN=C(CO)C=C1 D77165 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.1 NCC1=CN=C(Cl)N=C1 P10942 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.1 NCC1=NNC(=O)C=C1 C77052 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.1 OCC1=CN=C(Br)N=C1 D76260 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.2 BrCC1=NC=CC(Br)=C1 AT15450 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.2 CC1=CC(CBr)=NC=C1 AC9733 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.2 CC1=CC(CCl)=NN=C1 F30453 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.2 CC1=CN=CC(CN)=N1 C91463 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.2 CC1=CN=NC(CN)=C1 F30454 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.2 CCC1=CN=NC(N)=C1 S11510 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.2 ClCC1=CC(Cl)=CN=C1 H10969 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.2 FC1=CC(CBr)=NC=C1 AC8274 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.2 NC1=CC=NC(CCl)=N1 AT18293 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.2 NCC1=CC=NC(N)=N1 AC7326 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.2 NCC1=CC=NC(N)=N1 AT21781 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.2 NCC1=NC(=O)NC=C1 P13759 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.2 NCC1=NC=CC(Cl)=N1 P19988 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.2 NCC1=NC=CC(F)=C1 N13372 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.2 NCC1=NC=CC(O)=C1 79355 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.2 O=C1C=CN=C(CO)N1 AT21628 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.2 OCC1=NC=CC(Cl)=N1 AT21631 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [0,1,0,0,0,0|1,0,1]=3 37 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12431 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12500 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.6 C[C@H](N)C1=CN=NC=C1 P18973 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.6 C[C@H](O)C1=CN=CN=C1 P11936 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.6 C[C@H](O)C1=NN=CC=C1 P14065 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [0,1,0,0,0,0|1,0,1]=3 45 B9R1.6 OB(O)C1=NN=CC=C1 D75475 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.8 CCNC1=CN=NC=C1 D86255 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.8 CCOC1=CN=CC=C1 F31361 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.8 CNCC1=CN=NC=C1 P12145 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.8 ClCCC1=CN=CC=C1 D87792 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [0,1,0,0,0,0|1,0,1]=3 51 B9R1.8 NNCC1=CC=CN=N1 P13290 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.8 NNCC1=CN=NC=C1 P12938 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.8 NNCC1=NC=CC=N1 P11941 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.8 O=C=NC1=CC=NC=C1 AC6649 [0,1,0,0,0,0|1,0,2]=4 55 B9R1.8 OCCC1=NC=NC=C1 20262 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.8 S=C=NC1=CC=NC=C1 C11997 [0,1,0,0,0,0|1,1,1]=4 57 B9R1.8 SCCC1=CN=CC=C1 F18092 [0,1,0,0,0,0|1,1,0]=3 58 B9R1.8 [C-]#[N+]CC1=CN=CN=C1 AT23892 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.8 [C-]#[N+]CC1=NC=CC=N1 AT23894 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.8 [C-]#[N+]CC1=NC=NC=C1 AT23891 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.15 C#CC1=NC=CC=C1N AT26714 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.15 CC1=C(CCl)C=CN=N1 F30532 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.15 CC1=C(CCl)C=NN=C1 F30428 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.15 CC1=C(CN)C=CN=N1 F50140 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.15 CC1=C(CN)N=NC=C1 P13738 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.15 CC1=C(CO)C=NN=C1 F30427 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.15 CC1=CC=NN=C1CCl F50901 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.15 CC1=CC=NN=C1CO F50171 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.15 CC1=CN=NC=C1CN P12550 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.15 CC1=NC=NC=C1CN F31022 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [0,1,0,0,0,0|0,0,2]=3 72 B9R1.15 N#CC1=C(F)C=CN=C1 C14105 [0,1,0,0,0,0|2,0,1]=4 73 B9R1.15 N#CC1=C(S)C=CC=N1 AT16200 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.15 NCC1=CC=CNC1=O D76881 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.15 NCC1=CC=NNC1=O P12551 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.15 NCC1=NC=CN=C1F C91950 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.15 O=CC1=C(F)C=CN=C1 P10446 [0,1,0,0,0,0|1,0,2]=4 79 B7R1.1 C#CC1=CC=CO1 AC9158 [0,0,0,0,1,0|2,0,1]=4 80 B7R1.1 CCC1=NNC=C1 D77034 [0,0,0,0,1,0|3,0,0]=4 81 B7R1.1 NCC1=CC=NS1 C77431 [0,0,0,0,1,0|3,0,0]=4 82 B7R1.1 NCC1=CN=CO1 P10824 [0,0,0,0,1,0|3,0,0]=4 83 B7R1.1 NCC1=CON=C1 P10602 [0,0,0,0,1,0|3,0,0]=4 84 B7R1.1 OCC1=NN=CS1 AT19532 [0,0,0,0,1,0|3,0,0]=4 85 B7R1.1 OCC1=NSN=C1 AT12125 [0,0,0,0,1,0|3,0,0]=4 86 B6R1.1 [13CH]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 41443 [2,0,0,0,0,0|0,0,0]=2 87 B8R1.3 CC1=NN=C(S)C=C1 AT17805 [1,1,0,0,0,0|2,0,0]=4 88 B8R1.3 FC1=CN=C(S)C=C1 AT18757 [1,1,0,0,0,0|1,1,0]=4 89 B8R1.4 CC1=CC(I)=CN=C1 D76269 [1,1,0,0,0,0|1,0,0]=3 90 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [1,1,0,0,0,0|1,0,0]=3 91 B8R1.4 O=C1C=C(Br)C=CO1 A10539 [1,1,0,0,0,0|1,0,1]=4 92 B8R1.4 O=C1C=C(O)C=CO1 AT26917 [1,1,0,0,0,0|1,0,0]=3 93 B8R1.4 O=C1C=CC=C(I)N1 D76264 [1,1,0,0,0,0|1,0,1]=4 94 B8R1.4 SC1=CC(Cl)=CN=C1 AT19856 [1,1,0,0,0,0|1,1,0]=4 95 B8R1.5 CC1=C(Br)C=NN=C1 F53722 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.5 CC1=C(N)C=CN=N1 F13599 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.5 CC1=C(N)C=CN=N1 F13600 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.5 CC1=CN=NC=C1N P19176 [1,1,0,0,0,0|2,0,0]=4 99 B8R1.5 CN1C=CC=NC1=O AT19342 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.5 CN1C=NC=CC1=O D77055 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.5 NC1=C(S)C=NC=C1 P12634 [1,1,0,0,0,0|1,1,0]=4 102 B8R1.5 O=C1OC=CC=C1Br AC1746 [1,1,0,0,0,0|1,0,1]=4 103 B8R1.5 OC1=C(Br)C=NN=C1 D72174 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.5 OC1=C(F)C=CN=C1 98163 [1,1,0,0,0,0|1,0,0]=3 105 B8R1.1 CC1=CC(CN)=CS1 D76884 [0,1,0,0,1,0|2,0,0]=4 106 B8R1.1 CC1=COC(CN)=C1 P11789 [0,1,0,0,1,0|2,0,0]=4 107 B8R1.1 CC1=NSC(CO)=C1 AT21143 [0,1,0,0,1,0|2,0,0]=4 108 B8R1.1 CCC1=CC=C(N)S1 AT14665 [0,1,0,0,1,0|2,0,0]=4 109 B8R1.1 ClC1=CSC(CBr)=C1 AT16713 [0,1,0,0,1,0|2,0,0]=4 110 B8R1.1 ClCC1=CSC(Cl)=C1 AT16568 [0,1,0,0,1,0|2,0,0]=4 111 B8R1.1 FC1=CC=C(CBr)O1 55271 [0,1,0,0,1,0|2,0,0]=4 112 B8R1.1 NC1=NC=C(CO)O1 AT18684 [0,1,0,0,1,0|2,0,0]=4 113 B8R1.1 NCC1=CC=C(Cl)O1 AT17313 [0,1,0,0,1,0|2,0,0]=4 114 B8R1.1 OCC1=CC(F)=CS1 D74661 [0,1,0,0,1,0|1,0,0]=3 115 B8R1.1 OCC1=CC=C(Cl)O1 AC8965 [0,1,0,0,1,0|1,0,0]=3 116 B8R1.1 OCC1=CC=C(F)O1 55270 [0,1,0,0,1,0|1,0,0]=3 117 B8R1.1 OCC1=CN=C(Br)N1 AT15349 [0,1,0,0,1,0|2,0,0]=4 118 B8R1.1 OCC1=CNC(Cl)=N1 AT15346 [0,1,0,0,1,0|2,0,0]=4 119 B8R1.1 OCC1=COC(Br)=C1 AT23870 [0,1,0,0,1,0|1,0,0]=3 120 B8R1.1 OCC1=COC(Br)=N1 C71324 [0,1,0,0,1,0|2,0,0]=4 121 B8R1.1 OCC1=NC(Br)=CN1 AT15326 [0,1,0,0,1,0|2,0,0]=4 122 B8R1.1 OCC1=NNC(Br)=C1 D75509 [0,1,0,0,1,0|2,0,0]=4 123 B8R1.1 SCC1=CC=C(Cl)O1 AT17318 [0,1,0,0,1,0|1,1,0]=4 124 B8R1.7 C[C@H](N)C1=COC=C1 N16719 [0,1,0,0,1,0|2,0,0]=4 125 B8R1.7 C[C@H](N)C1=CSC=C1 AT23262 [0,1,0,0,1,0|2,0,0]=4 126 B8R1.7 C[C@H](N)C1=CSC=C1 AT23264 [0,1,0,0,1,0|2,0,0]=4 127 B8R1.7 C[C@H](O)C1=CC=NS1 AT21152 [0,1,0,0,1,0|2,0,0]=4 128 B8R1.7 C[C@H](O)C1=NOC=C1 AT21815 [0,1,0,0,1,0|2,0,0]=4 129 B8R1.7 OB(O)N1C=CC=C1 AT22888 [0,1,0,0,1,0|2,0,0]=4 130 B8R1.11 CC1=NOC=C1CO AT19017 [0,1,0,0,1,0|2,0,0]=4 131 B8R1.11 OCC1=C(Br)C=NS1 AT21093 [0,1,0,0,1,0|2,0,0]=4 132 B8R1.11 OCC1=C(Br)SC=N1 AT11862 [0,1,0,0,1,0|2,0,0]=4 133 B8R1.11 OCC1=C(F)C=CS1 AT22758 [0,1,0,0,1,0|1,0,0]=3 134 B8R1.11 OCC1=NSC=C1Br AT21092 [0,1,0,0,1,0|2,0,0]=4 135 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.1 NCCC1=CNC(=O)C=C1 FD7157 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.1 O=CCC1=CN=C(Br)C=C1 AC9639 [0,2,0,0,0,0|1,0,1]=4 138 B10R1.1 OCCC1=NC=C(Br)C=N1 AT21674 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.1 OCCC1=NC=C(O)C=N1 72918 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.3 CNC1=CC=C(NC)C=C1 AT11002 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.3 N#CC1=CN=C(CO)N=C1 D73853 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.3 N#CC1=NC=C(CO)C=N1 AC8458 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90823 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90824 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96354 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.13 C[C@H](N)C1=CN=C(F)C=C1 AC7189 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [0,2,0,0,0,0|1,0,0]=3 152 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [0,2,0,0,0,0|1,0,0]=3 153 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 72720 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [0,2,0,0,0,0|1,0,1]=4 155 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [0,2,0,0,0,0|1,0,1]=4 156 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [0,2,0,0,0,0|0,0,2]=4 157 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [0,2,0,0,0,0|1,0,0]=3 158 B10R1.25 CC1=CC(Cl)=C(CO)C=N1 AT24662 [0,2,0,0,0,0|1,0,0]=3 159 B10R1.25 CC1=CC(F)=C(CN)N=C1 AT25475 [0,2,0,0,0,0|2,0,0]=4 160 B10R1.25 CC1=NC(C)=C(CCl)C=C1 93160 [0,2,0,0,0,0|2,0,0]=4 161 B10R1.25 CSC1=C(Br)C=C(N)C=C1 D87910 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.25 FC1=C(CBr)C=CC(Br)=N1 AT21653 [0,2,0,0,0,0|2,0,0]=4 163 B10R1.25 N#CC1=C(I)C=C(O)C=C1 D76837 [0,2,0,0,0,0|1,0,1]=4 164 B10R1.25 N#CC1=C(O)C=C(I)C=C1 D76835 [0,2,0,0,0,0|1,0,1]=4 165 B10R1.25 OCC1=C(F)N=C(Br)C=C1 AT10214 [0,2,0,0,0,0|1,0,0]=3 166 B10R1.25 OCC1=NC=C(Cl)N=C1Cl AC9843 [0,2,0,0,0,0|2,0,0]=4 167 B10R1.25 [BH3-]C1=CC(Cl)=C(CO)C=C1 AC7773 [0,2,0,0,0,0|0,0,0]=2 168 B10R1.176 C#CC1=CC(Br)=C(Br)C=C1 AT26841 [0,2,0,0,0,0|1,0,1]=4 169 B10R1.176 C#CC1=CC(Br)=C(Cl)C=C1 AT26819 [0,2,0,0,0,0|1,0,1]=4 170 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [0,2,0,0,0,0|1,0,0]=3 171 B10R1.176 CC1=CN=C(CCl)C=C1C F10376 [0,2,0,0,0,0|2,0,0]=4 172 B10R1.176 CC1=CN=C(CO)C=C1N AC4836 [0,2,0,0,0,0|1,0,0]=3 173 B10R1.176 CCC1=CC(C)=C(Br)C=N1 AT24017 [0,2,0,0,0,0|2,0,0]=4 174 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [0,2,0,0,0,0|2,0,0]=4 175 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [0,2,0,0,0,0|2,0,0]=4 176 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [0,2,0,0,0,0|2,0,0]=4 177 B10R1.176 N#CC1=CC(S)=C(N)C=C1 AT19654 [0,2,0,0,0,0|1,0,1]=4 178 B10R1.176 NC1=C(Br)C=CC(C=O)=C1 AT23717 [0,2,0,0,0,0|0,0,2]=4 179 B10R1.176 NC1=C(Br)C=NC(CO)=C1 P13384 [0,2,0,0,0,0|1,0,0]=3 180 B10R1.176 NCC1=CC(Br)=C(Cl)N=C1 79251 [0,2,0,0,0,0|2,0,0]=4 181 B10R1.176 NCC1=CC(Br)=C(I)C=C1 AT26930 [0,2,0,0,0,0|1,0,0]=3 182 B10R1.176 NCC1=CC(Cl)=C(O)N=C1 79293 [0,2,0,0,0,0|2,0,0]=4 183 B10R1.176 OCC1=CC(Br)=C(F)C=N1 D73852 [0,2,0,0,0,0|1,0,0]=3 184 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [0,2,0,0,0,0|0,0,0]=2 185 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [0,2,0,0,0,0|0,0,0]=2 186 B10R1.176 OCC1=CC(O)=C(O)C=N1 F53447 [0,2,0,0,0,0|1,0,0]=3 187 B10R1.176 OCC1=CC=C(F)C(Br)=N1 54868 [0,2,0,0,0,0|1,0,0]=3 188 B10R1.176 OCC1=NC(F)=C(Br)C=C1 AT22911 [0,2,0,0,0,0|1,0,0]=3 189 B10R1.2 C#CC1=C(F)C(C)=CC=C1 AT26741 [0,2,0,0,0,0|1,0,1]=4 190 B10R1.2 C#CC1=CC=CC(F)=C1Br AT26750 [0,2,0,0,0,0|1,0,1]=4 191 B10R1.2 CC1=C(N)C=CN=C1CO D86040 [0,2,0,0,0,0|1,0,0]=3 192 B10R1.2 CCC1=C(C)C(C)=CC=C1 T73080 [0,2,0,0,0,0|1,0,0]=3 193 B10R1.2 CCC1=CN=CC(F)=C1N 93261 [0,2,0,0,0,0|2,0,0]=4 194 B10R1.2 CCN1C=CC=C(O)C1=O AT19248 [0,2,0,0,0,0|2,0,0]=4 195 B10R1.2 CN1C=CC=C(CCl)C1=O 55280 [0,2,0,0,0,0|2,0,0]=4 196 B10R1.2 N#CC1=CC=CC(S)=C1Cl AT20901 [0,2,0,0,0,0|1,0,1]=4 197 B10R1.2 N#CC1=CC=CC(S)=C1F AT20898 [0,2,0,0,0,0|1,0,1]=4 198 B10R1.2 NC1=C(CO)C=CN=C1Cl AT14241 [0,2,0,0,0,0|1,0,0]=3 199 B10R1.2 NCC1=CC=CC(F)=C1O D85259 [0,2,0,0,0,0|1,0,0]=3 200 B10R1.2 NCC1=NC=CC(Cl)=C1Cl AT13887 [0,2,0,0,0,0|2,0,0]=4 201 B10R1.2 NCC1=NC=CC(Cl)=C1F AC3524 [0,2,0,0,0,0|2,0,0]=4 202 B10R1.2 NCC1=NC=CC(Cl)=C1F AT22978 [0,2,0,0,0,0|2,0,0]=4 203 B10R1.2 NNC1=CC=CC(F)=C1Br AT23940 [0,2,0,0,0,0|2,0,0]=4 204 B10R1.2 OCC1=CN=CC(Br)=C1Br AT15999 [0,2,0,0,0,0|1,0,0]=3 205 B10R1.2 OCC1=NC=CC(Cl)=C1F AC2972 [0,2,0,0,0,0|1,0,0]=3 206 B10R1.8 C#CC1=CC(Br)=CC(Cl)=C1 AT26744 [0,2,0,0,0,0|1,0,1]=4 207 B10R1.8 CC1=CC(F)=CC(CCl)=N1 P13233 [0,2,0,0,0,0|2,0,0]=4 208 B10R1.8 CC1=NC(CO)=NC(N)=C1 32917 [0,2,0,0,0,0|2,0,0]=4 209 B10R1.8 CCC1=CC(C)=CC(C)=C1 T73084 [0,2,0,0,0,0|1,0,0]=3 210 B10R1.8 OCC1=NC(Cl)=CC(Cl)=N1 C71966 [0,2,0,0,0,0|2,0,0]=4 211 B10R1.10 C#CCC1=CC=CC(Cl)=C1 D75648 [0,2,0,0,0,0|1,0,0]=3 212 B10R1.10 CCNC1=CC=CC(Br)=N1 D77162 [0,2,0,0,0,0|2,0,0]=4 213 B10R1.10 COCC1=NC=CC(N)=C1 P20443 [0,2,0,0,0,0|1,0,0]=3 214 B10R1.10 NC1=CC(CCO)=NC=C1 AC2677 [0,2,0,0,0,0|1,0,0]=3 215 B10R1.10 NC1=NC=CC(CCO)=C1 AT18203 [0,2,0,0,0,0|1,0,0]=3 216 B10R1.10 NCCC1=CC(=O)NC=C1 C73270 [0,2,0,0,0,0|2,0,0]=4 217 B10R1.30 C#CC1=C(O)C=CC(N)=C1 AC8460 [0,2,0,0,0,0|1,0,1]=4 218 B10R1.30 C=CC1=C(F)C=CC(O)=C1 AC8373 [0,2,0,0,0,0|1,0,1]=4 219 B10R1.30 CC1=CC=C(F)C(CBr)=N1 C92939 [0,2,0,0,0,0|2,0,0]=4 220 B10R1.30 CC1=NC(CN)=C(Br)C=C1 AT24005 [0,2,0,0,0,0|2,0,0]=4 221 B10R1.30 CC1=NC(CN)=C(Br)C=C1 AT24006 [0,2,0,0,0,0|2,0,0]=4 222 B10R1.30 CCC1=C(Br)C=CC(N)=N1 AT24914 [0,2,0,0,0,0|2,0,0]=4 223 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [0,2,0,0,0,0|2,0,0]=4 224 B10R1.30 CSC1=C(F)C=CC(Br)=C1 E72635 [0,2,0,0,0,0|2,0,0]=4 225 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [0,2,0,0,0,0|2,0,0]=4 226 B10R1.30 NCC1=C(Br)C=CC(Cl)=N1 C90983 [0,2,0,0,0,0|2,0,0]=4 227 B10R1.30 NCC1=CC(Br)=CN=C1Cl AT10812 [0,2,0,0,0,0|2,0,0]=4 228 B10R1.30 OC1=CC(CCl)=C(F)C=N1 W11443 [0,2,0,0,0,0|2,0,0]=4 229 B10R1.30 OCC1=C(Br)C=CC(F)=N1 C77408 [0,2,0,0,0,0|1,0,0]=3 230 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 D75135 [0,2,0,0,0,0|2,0,0]=4 231 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [0,2,0,0,0,0|1,0,1]=4 232 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 D96342 [0,2,0,0,0,0|2,0,0]=4 233 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 N13197 [0,2,0,0,0,0|2,0,0]=4 234 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 D96341 [0,2,0,0,0,0|2,0,0]=4 235 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D96323 [0,2,0,0,0,0|2,0,0]=4 236 B10R1.113 C[C@H](O)C1=CC(F)=NC=C1 AT10688 [0,2,0,0,0,0|1,0,0]=3 237 B10R1.113 C[C@H](O)C1=CC=NC(Cl)=N1 E70226 [0,2,0,0,0,0|2,0,0]=4 238 B10R1.113 NC1=CC(C(F)F)=CN=C1 E72812 [0,2,0,0,0,0|2,0,0]=4 239 B10R1.113 NC1=NC=CC(B(O)O)=C1 36649 [0,2,0,0,0,0|2,0,0]=4 240 B10R1.113 OB(O)C1=NC=CC(F)=C1 D76942 [0,2,0,0,0,0|2,0,0]=4 241 B10R1.113 OC1=CC(C(F)F)=CN=C1 AT26720 [0,2,0,0,0,0|2,0,0]=4 242 B10R1.172 BrCC1=CC(CBr)=NC=C1 D88194 [0,2,0,0,0,0|2,0,0]=4 243 B10R1.172 CCC1=CC=CC(CBr)=N1 P20680 [0,2,0,0,0,0|2,0,0]=4 244 B10R1.172 CCC1=CN=CC(CN)=C1 AT26760 [0,2,0,0,0,0|2,0,0]=4 245 B10R1.172 CNC1=CC=CC(CO)=C1 AT21038 [0,2,0,0,0,0|0,0,0]=2 246 B10R1.172 COC1=NC(CO)=NC=C1 D74725 [0,2,0,0,0,0|2,0,0]=4 247 B10R1.172 COC1=NC=CC(CBr)=C1 C71690 [0,2,0,0,0,0|2,0,0]=4 248 B10R1.172 OCC1=CC=CC(CF)=N1 D74579 [0,2,0,0,0,0|1,0,0]=3 249 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [0,2,0,0,0,0|2,0,0]=4 250 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [0,2,0,0,0,0|1,0,0]=3 251 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18142 [0,2,0,0,0,0|2,0,0]=4 252 B10R1.15 C[C@@H](CO)C1=NC=CC=C1 AT23842 [0,2,0,0,0,0|1,0,0]=3 253 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [0,2,0,0,0,0|0,0,0]=2 254 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [0,2,0,0,0,0|1,0,0]=3 255 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [0,2,0,0,0,0|1,0,0]=3 256 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [0,2,0,0,0,0|1,0,0]=3 257 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [0,2,0,0,0,0|1,0,0]=3 258 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [0,2,0,0,0,0|1,0,0]=3 259 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 N14219 [0,2,0,0,0,0|1,0,0]=3 260 B10R1.15 N[C@@H](CO)C1=NC=CN=C1 AT24480 [0,2,0,0,0,0|2,0,0]=4 261 B10R1.15 N[C@@H](CO)C1=NC=CN=C1 AT24481 [0,2,0,0,0,0|2,0,0]=4 262 B10R1.28 [2H]C([2H])(N)C1=CC=CC=C1 D99382 [0,2,0,0,0,0|1,0,0]=3 263 B10R1.28 [2H]C([2H])([2H])C1=CC=CN=C1 D98305 [0,2,0,0,0,0|2,0,0]=4 264 B10R1.61 CN(C)C1=C(O)C=CC=C1 AT26775 [0,2,0,0,0,0|2,0,0]=4 265 B10R1.61 C[C@H](N)C1=CC=CN=C1F AC8220 [0,2,0,0,0,0|2,0,0]=4 266 B10R1.61 C[C@H](O)C1=C(F)C=CN=C1 AT10684 [0,2,0,0,0,0|1,0,0]=3 267 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [0,2,0,0,0,0|0,0,0]=2 268 B10R1.61 C[C@H](O)C1=CC=CN=C1F AT10061 [0,2,0,0,0,0|1,0,0]=3 269 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [0,2,0,0,0,0|1,0,1]=4 270 B10R1.61 OB(O)C1=C(F)C=CC=N1 C14125 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.61 OC1=C(C(F)F)C=CC=C1 AT20035 [0,2,0,0,0,0|1,0,0]=3 272 B10R1.4 CNCC1=C(Br)C=NC=C1 AT26684 [0,2,0,0,0,0|2,0,0]=4 273 B10R1.4 COCC1=NC=CN=C1Cl N13228 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.4 OCCC1=C(Br)C=NC=C1 AT12936 [0,2,0,0,0,0|1,0,0]=3 275 B10R1.4 OCCC1=C(Br)C=NC=C1 D77127 [0,2,0,0,0,0|1,0,0]=3 276 B10R1.17 C#CCNC1=NC=CC=C1 D75633 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.17 ICCCC1=CN=CC=C1 E70092 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.18 CC(C)NC1=NC=CC=C1 D86001 [0,2,0,0,0,0|2,0,0]=4 279 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [0,2,0,0,0,0|0,0,2]=4 280 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [0,2,0,0,0,0|0,0,0]=2 281 B10R1.18 O=C(O)CC1=CN=NC=C1 P19188 [0,2,0,0,0,0|2,0,0]=4 282 B10R1.18 O=C(O)CC1=NC=NC=C1 P10413 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.18 O=C(O)CC1=NN=CC=C1 P10994 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.20 C=CC1=C(C=C)C=CC=C1 A11741 [0,2,0,0,0,0|1,0,1]=4 285 B10R1.20 C=CC1=C(CO)C=CC=C1 S11028 [0,2,0,0,0,0|0,0,0]=2 286 B10R1.20 CCC1=CC=CN=C1C=O AT24573 [0,2,0,0,0,0|2,0,0]=4 287 B10R1.245 C#CC1=C(Br)C=CC=C1Br AT26842 [0,2,0,0,0,0|1,0,1]=4 288 B10R1.245 CC1=CN=CC(F)=C1CN AT25470 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.245 CC1=CN=CC(F)=C1CO AT23874 [0,2,0,0,0,0|1,0,0]=3 290 B10R1.245 COC1=C(O)C=CC=C1C AT19440 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.245 CSC1=C(I)C=CC=C1Cl D85832 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.245 O=CC1=C(I)C=CC=C1I AT18530 [0,2,0,0,0,0|0,0,2]=4 293 B10R1.245 OCC1=C(I)C=CC=C1I AT18544 [0,2,0,0,0,0|0,0,0]=2 294 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [0,1,0,1,0,0|1,0,0]=3 295 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [0,1,0,1,0,0|1,0,0]=3 296 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [0,1,0,1,0,0|1,0,0]=3 297 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [0,1,0,1,0,0|0,1,1]=4 298 B10R2.7 C1=CC2=C(C=N1)CCO2 D75261 [0,1,0,1,0,0|1,0,0]=3 299 B10R2.7 C1=CC2=C(C=N1)OC=C2 C73709 [0,1,0,1,0,0|1,0,1]=4 300 B6R1.2 NC1=COC=C1 AC9528 [1,0,0,0,1,0|2,0,0]=4 301 B6R1.2 OC1=CC=CS1 AC4704 [1,0,0,0,1,0|1,0,0]=3