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|2,0,0]=2 3 B8R1.2 NNC1=CN=NC=C1 AT13036 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 SC1=CN=CC=C1 AT26584 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.1 C#CC1=CN=C(Br)N=C1 83956 [0,1,0,0,0,0|1,0,2]=4 6 B9R1.1 CC1=CC=C(CN)N=N1 37065 [0,1,0,0,0,0|2,0,0]=3 7 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.1 CC1=NC=C(CCl)C=N1 P10827 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.1 CC1=NN=C(CCl)C=C1 F30432 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.1 CCC1=CC=C(N)N=N1 AT21731 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.1 CC[C@@H]1C=CC(=O)CC1 AT12677 [0,1,0,0,0,0|1,0,2]=4 13 B9R1.1 COC1=NC=C(C)N=C1 AT23462 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.1 ClCC1=CN=C(Cl)C=N1 87865 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.1 NC1=CN=C(CO)C=C1 D77165 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.1 NCC1=CN=C(Cl)N=C1 P10942 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.1 NCC1=NNC(=O)C=C1 C77052 [0,1,0,0,0,0|2,0,1]=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|3,0,0]=4 20 B9R1.2 CC1=CC(CBr)=NC=C1 AC9733 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.2 CC1=CC(CCl)=NN=C1 F30453 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.2 CC1=CN=CC(CN)=N1 C91463 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.2 CC1=CN=NC(CN)=C1 F30454 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.2 CCC1=CN=NC(N)=C1 S11510 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.2 COC1=NN=CC(N)=C1 AC8536 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.2 COC1=N[N+]([O-])=CC=C1 D74921 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.2 ClCC1=CC(Cl)=CN=C1 H10969 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.2 FC1=CC(CBr)=NC=C1 AC8274 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.2 N#CC1=CN=NC(N)=C1 AT17785 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.2 NCC1=NC=CC(F)=C1 N13372 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.2 NCC1=NC=CC(O)=C1 79355 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.2 O=CC1=CN=CC(F)=N1 P13899 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [0,1,0,0,0,0|1,0,2]=4 34 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [0,1,0,0,0,0|1,0,0]=2 35 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12431 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12500 [0,1,0,0,0,0|1,0,0]=2 38 B9R1.6 C[C@H](N)C1=CN=NC=C1 P18973 [0,1,0,0,0,0|1,0,0]=2 39 B9R1.6 C[C@H](O)C1=CN=CN=C1 P11936 [0,1,0,0,0,0|1,0,0]=2 40 B9R1.6 C[C@H](O)C1=NN=CC=C1 P14065 [0,1,0,0,0,0|1,0,0]=2 41 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.6 NC(=S)C1=NN=CC=C1 O12058 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.6 OB(O)C1=NN=CC=C1 D75475 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.8 CCNC1=CN=NC=C1 D86255 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.8 CCOC1=CN=CC=C1 F31361 [0,1,0,0,0,0|0,0,0]=1 46 B9R1.8 CNCC1=CN=NC=C1 P12145 [0,1,0,0,0,0|1,0,0]=2 47 B9R1.8 ClCCC1=CN=CC=C1 D87792 [0,1,0,0,0,0|0,0,0]=1 48 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [0,1,0,0,0,0|1,0,2]=4 49 B9R1.8 NNCC1=CC=CN=N1 P13290 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.8 NNCC1=CN=NC=C1 P12938 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.8 OCCC1=NC=NC=C1 20262 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.8 SCCC1=CN=CC=C1 F18092 [0,1,0,0,0,0|0,0,0]=1 53 B9R1.8 [C-]#[N+]CC1=CN=CN=C1 AT23892 [0,1,0,0,0,0|1,0,1]=3 54 B9R1.15 CC1=C(C=O)C=NN=C1 AT10311 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.15 CC1=C(CCl)C=CN=N1 F30532 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.15 CC1=C(CCl)C=NN=C1 F30428 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.15 CC1=C(CN)C=CN=N1 F50140 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.15 CC1=C(CN)N=NC=C1 P13738 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.15 CC1=C(CO)C=NN=C1 F30427 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.15 CC1=CC=NN=C1C=O AT10310 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.15 CC1=CC=NN=C1CCl F50901 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.15 CC1=CC=NN=C1CO F50171 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.15 CC1=CN=NC=C1CN P12550 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.15 CC1=NC=NC=C1CN F31022 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.15 CNC1=C(Br)C=CN=N1 79169 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.15 COC1=C(N)N=NC=C1 D86048 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.15 COC1=CN=CN=C1Br D88097 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.15 COC1=NN=CC=C1N D74369 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.15 N#CC1=C(F)C=CN=C1 C14105 [0,1,0,0,0,0|1,0,1]=3 71 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [0,1,0,0,0,0|1,0,0]=2 72 B9R1.15 NCC1=CC=CNC1=O D76881 [0,1,0,0,0,0|1,0,1]=3 73 B9R1.15 NCC1=CC=NNC1=O P12551 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.15 NCC1=NC=CN=C1F C91950 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.15 O=CC1=C(F)C=CN=C1 P10446 [0,1,0,0,0,0|1,0,1]=3 76 B9R1.15 O=CC1=NC=CN=C1F P13900 [0,1,0,0,0,0|2,0,1]=4 77 B7R1.1 BrCC1=NON=C1 D73995 [0,0,0,0,1,0|3,0,0]=4 78 B7R1.1 C#CC1=CC=CO1 AC9158 [0,0,0,0,1,0|1,0,2]=4 79 B7R1.1 CCC1=NNC=C1 D77034 [0,0,0,0,1,0|1,0,0]=2 80 B7R1.1 CNC1=CN=CN1 57325 [0,0,0,0,1,0|2,0,0]=3 81 B7R1.1 CNC1=NN=CN1 AT21326 [0,0,0,0,1,0|3,0,0]=4 82 B7R1.1 COC1=CNC=N1 AT24767 [0,0,0,0,1,0|2,0,0]=3 83 B7R1.1 COC1=CNN=C1 AT16003 [0,0,0,0,1,0|2,0,0]=3 84 B7R1.1 CSC1=NNC=C1 W10957 [0,0,0,0,1,0|2,0,0]=3 85 B7R1.1 ClCC1=NSN=C1 AT12132 [0,0,0,0,1,0|3,0,0]=4 86 B7R1.1 N#CC1=NSC=C1 F14136 [0,0,0,0,1,0|2,0,1]=4 87 B7R1.1 NCC1=CC=NS1 C77431 [0,0,0,0,1,0|2,0,0]=3 88 B7R1.1 NCC1=CN=CO1 P10824 [0,0,0,0,1,0|2,0,0]=3 89 B7R1.1 NCC1=CON=C1 P10602 [0,0,0,0,1,0|2,0,0]=3 90 B7R1.1 NCC1=NN=CS1 AT18927 [0,0,0,0,1,0|3,0,0]=4 91 B7R1.1 NCC1=NSN=C1 AT12135 [0,0,0,0,1,0|3,0,0]=4 92 B7R1.1 O=CC1=CC=NO1 C73163 [0,0,0,0,1,0|2,0,1]=4 93 B7R1.1 OCC1=NN=CS1 AT19532 [0,0,0,0,1,0|3,0,0]=4 94 B7R1.1 OCC1=NSN=C1 AT12125 [0,0,0,0,1,0|3,0,0]=4 95 B6R1.1 [13CH]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 41443 [2,0,0,0,0,0|1,0,0]=3 96 B8R1.3 CC1=NN=C(S)C=C1 AT17805 [1,1,0,0,0,0|1,0,0]=3 97 B8R1.3 FC1=CN=C(S)C=C1 AT18757 [1,1,0,0,0,0|1,0,0]=3 98 B8R1.4 CC1=CC(I)=CN=C1 D76269 [1,1,0,0,0,0|0,0,0]=2 99 B8R1.4 NC1=CC(Br)=NN=C1 D76213 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.4 SC1=CC(Cl)=CN=C1 AT19856 [1,1,0,0,0,0|1,0,0]=3 102 B8R1.5 BrC1=C(I)C=NC=N1 C11129 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.5 CC1=C(Br)C=NN=C1 F53722 [1,1,0,0,0,0|1,0,0]=3 104 B8R1.5 CC1=C(N)C=CN=N1 F13599 [1,1,0,0,0,0|1,0,0]=3 105 B8R1.5 CC1=C(N)C=CN=N1 F13600 [1,1,0,0,0,0|1,0,0]=3 106 B8R1.5 CC1=CN=NC=C1N P19176 [1,1,0,0,0,0|1,0,0]=3 107 B8R1.5 CN1C=CC=NC1=O AT19342 [1,1,0,0,0,0|1,0,0]=3 108 B8R1.5 CN1C=NC=CC1=O D77055 [1,1,0,0,0,0|1,0,0]=3 109 B8R1.5 NC1=C(N)N=NC=C1 S10921 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.5 NC1=C(S)C=NC=C1 P12634 [1,1,0,0,0,0|1,0,0]=3 111 B8R1.5 O=C1OC=CC=C1Br AC1746 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.5 OC1=C(Br)C=NN=C1 D72174 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.5 OC1=C(F)C=CN=C1 98163 [1,1,0,0,0,0|1,0,0]=3 114 B8R1.1 BrCC1=NC=C(Br)O1 87116 [0,1,0,0,1,0|2,0,0]=4 115 B8R1.1 CC1=CC(CN)=CS1 D76884 [0,1,0,0,1,0|2,0,0]=4 116 B8R1.1 CC1=COC(CN)=C1 P11789 [0,1,0,0,1,0|2,0,0]=4 117 B8R1.1 CC1=COC(CN)=N1 72853 [0,1,0,0,1,0|2,0,0]=4 118 B8R1.1 CC1=NC(CBr)=CS1 D78646 [0,1,0,0,1,0|2,0,0]=4 119 B8R1.1 CC1=NSC(CO)=C1 AT21143 [0,1,0,0,1,0|2,0,0]=4 120 B8R1.1 CCC1=CC=C(N)S1 AT14665 [0,1,0,0,1,0|1,0,0]=3 121 B8R1.1 CCC1=NC=C(Br)O1 AT18672 [0,1,0,0,1,0|1,0,0]=3 122 B8R1.1 CCC1=NOC(Br)=C1 AT19746 [0,1,0,0,1,0|1,0,0]=3 123 B8R1.1 CCC1=NOC(O)=C1 AT19691 [0,1,0,0,1,0|1,0,0]=3 124 B8R1.1 CNC1=NC(N)=CS1 CS2925 [0,1,0,0,1,0|2,0,0]=4 125 B8R1.1 COC1=CC(Br)=CS1 P19567 [0,1,0,0,1,0|2,0,0]=4 126 B8R1.1 COC1=NC(I)=CS1 AT14886 [0,1,0,0,1,0|2,0,0]=4 127 B8R1.1 COC1=NC=C(I)S1 AT14884 [0,1,0,0,1,0|2,0,0]=4 128 B8R1.1 COC1=NOC(Br)=C1 AT19613 [0,1,0,0,1,0|2,0,0]=4 129 B8R1.1 COC1=NOC(O)=C1 AT19567 [0,1,0,0,1,0|2,0,0]=4 130 B8R1.1 COC1=NOC(S)=C1 AT19574 [0,1,0,0,1,0|2,0,0]=4 131 B8R1.1 COC1=NSC(Br)=C1 AT11775 [0,1,0,0,1,0|2,0,0]=4 132 B8R1.1 COC1=NSC(N)=C1 AT11780 [0,1,0,0,1,0|2,0,0]=4 133 B8R1.1 CSC1=NC=C(Br)S1 AT14712 [0,1,0,0,1,0|2,0,0]=4 134 B8R1.1 ClC1=CSC(CBr)=C1 AT16713 [0,1,0,0,1,0|2,0,0]=4 135 B8R1.1 ClCC1=CSC(Cl)=C1 AT16568 [0,1,0,0,1,0|2,0,0]=4 136 B8R1.1 FC1=CC=C(CBr)O1 55271 [0,1,0,0,1,0|2,0,0]=4 137 B8R1.1 NC1=NC=C(CO)O1 AT18684 [0,1,0,0,1,0|2,0,0]=4 138 B8R1.1 NCC1=CC(O)=NO1 D86836 [0,1,0,0,1,0|2,0,0]=4 139 B8R1.1 NCC1=CC=C(Cl)O1 AT17313 [0,1,0,0,1,0|2,0,0]=4 140 B8R1.1 NCC1=CN=C(Br)S1 AT14675 [0,1,0,0,1,0|2,0,0]=4 141 B8R1.1 NCC1=CN=C(N)S1 W17785 [0,1,0,0,1,0|2,0,0]=4 142 B8R1.1 NCC1=COC(Cl)=N1 AT18560 [0,1,0,0,1,0|2,0,0]=4 143 B8R1.1 NCC1=NC=C(Br)O1 86227 [0,1,0,0,1,0|2,0,0]=4 144 B8R1.1 OCC1=CC(F)=CS1 D74661 [0,1,0,0,1,0|2,0,0]=4 145 B8R1.1 OCC1=CC=C(Cl)O1 AC8965 [0,1,0,0,1,0|2,0,0]=4 146 B8R1.1 OCC1=CC=C(F)O1 55270 [0,1,0,0,1,0|2,0,0]=4 147 B8R1.1 OCC1=CN=C(Br)N1 AT15349 [0,1,0,0,1,0|2,0,0]=4 148 B8R1.1 OCC1=CNC(Cl)=N1 AT15346 [0,1,0,0,1,0|2,0,0]=4 149 B8R1.1 OCC1=COC(Br)=C1 AT23870 [0,1,0,0,1,0|2,0,0]=4 150 B8R1.1 OCC1=COC(Br)=N1 C71324 [0,1,0,0,1,0|2,0,0]=4 151 B8R1.1 OCC1=NC(Br)=CN1 AT15326 [0,1,0,0,1,0|2,0,0]=4 152 B8R1.1 OCC1=NNC(Br)=C1 D75509 [0,1,0,0,1,0|2,0,0]=4 153 B8R1.1 SCC1=CC=C(Cl)O1 AT17318 [0,1,0,0,1,0|2,0,0]=4 154 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [0,1,0,0,1,0|1,0,1]=4 155 B8R1.7 C[C@H](N)C1=CC=NS1 AT21225 [0,1,0,0,1,0|1,0,0]=3 156 B8R1.7 C[C@H](N)C1=CN=CN1 F13260 [0,1,0,0,1,0|1,0,0]=3 157 B8R1.7 C[C@H](N)C1=CN=CO1 AT18689 [0,1,0,0,1,0|1,0,0]=3 158 B8R1.7 C[C@H](N)C1=CN=CO1 AT18691 [0,1,0,0,1,0|1,0,0]=3 159 B8R1.7 C[C@H](N)C1=CNC=N1 C91192 [0,1,0,0,1,0|1,0,0]=3 160 B8R1.7 C[C@H](N)C1=CNC=N1 C91193 [0,1,0,0,1,0|1,0,0]=3 161 B8R1.7 C[C@H](N)C1=COC=C1 N16719 [0,1,0,0,1,0|1,0,0]=3 162 B8R1.7 C[C@H](N)C1=COC=N1 AT12536 [0,1,0,0,1,0|1,0,0]=3 163 B8R1.7 C[C@H](N)C1=CSC=C1 AT23262 [0,1,0,0,1,0|1,0,0]=3 164 B8R1.7 C[C@H](N)C1=CSC=C1 AT23264 [0,1,0,0,1,0|1,0,0]=3 165 B8R1.7 C[C@H](N)C1=CSN=C1 AT21218 [0,1,0,0,1,0|1,0,0]=3 166 B8R1.7 C[C@H](N)C1=NNC=C1 32103 [0,1,0,0,1,0|1,0,0]=3 167 B8R1.7 C[C@H](N)C1=NOC=C1 33764 [0,1,0,0,1,0|1,0,0]=3 168 B8R1.7 C[C@H](O)C1=CC=NS1 AT21152 [0,1,0,0,1,0|1,0,0]=3 169 B8R1.7 C[C@H](O)C1=NOC=C1 AT21815 [0,1,0,0,1,0|1,0,0]=3 170 B8R1.8 BrCCN1C=CN=N1 AC2862 [0,1,0,0,1,0|2,0,0]=4 171 B8R1.8 CNCC1=CC=NS1 AT21224 [0,1,0,0,1,0|1,0,0]=3 172 B8R1.8 N#CCC1=CN=CO1 AC7425 [0,1,0,0,1,0|1,0,1]=4 173 B8R1.8 NCCC1=CC=NO1 E73131 [0,1,0,0,1,0|1,0,0]=3 174 B8R1.8 NCCC1=CN=CO1 AT18734 [0,1,0,0,1,0|1,0,0]=3 175 B8R1.8 NCCC1=NC=CN1 AT24211 [0,1,0,0,1,0|1,0,0]=3 176 B8R1.8 NCCC1=NN=CS1 P12515 [0,1,0,0,1,0|2,0,0]=4 177 B8R1.8 OCCN1N=CC=N1 N17009 [0,1,0,0,1,0|2,0,0]=4 178 B8R1.11 BrCC1=C(Br)C=NS1 AT21098 [0,1,0,0,1,0|2,0,0]=4 179 B8R1.11 BrCC1=C(Br)SN=C1 AT21112 [0,1,0,0,1,0|2,0,0]=4 180 B8R1.11 CC1=CON=C1CN 95087 [0,1,0,0,1,0|2,0,0]=4 181 B8R1.11 CC1=NOC=C1CO AT19017 [0,1,0,0,1,0|2,0,0]=4 182 B8R1.11 CCC1=CON=C1N AT19778 [0,1,0,0,1,0|1,0,0]=3 183 B8R1.11 CCC1=NOC=C1N AT19803 [0,1,0,0,1,0|1,0,0]=3 184 B8R1.11 CCN1C=CN=C1N AT26762 [0,1,0,0,1,0|1,0,0]=3 185 B8R1.11 CCN1N=CN=C1Cl A11405 [0,1,0,0,1,0|2,0,0]=4 186 B8R1.11 CCN1N=NC=C1N E70135 [0,1,0,0,1,0|2,0,0]=4 187 B8R1.11 COC1=C(Br)C=NO1 AT19729 [0,1,0,0,1,0|2,0,0]=4 188 B8R1.11 COC1=NSC=C1Br AT11774 [0,1,0,0,1,0|2,0,0]=4 189 B8R1.11 COC1=NSC=C1I AT11788 [0,1,0,0,1,0|2,0,0]=4 190 B8R1.11 COC1=NSC=C1N AT11779 [0,1,0,0,1,0|2,0,0]=4 191 B8R1.11 CSC1=C(N)NN=C1 AT12747 [0,1,0,0,1,0|2,0,0]=4 192 B8R1.11 NCC1=C(Br)C=NS1 AT21091 [0,1,0,0,1,0|2,0,0]=4 193 B8R1.11 NCC1=C(Br)C=NS1 AT21097 [0,1,0,0,1,0|2,0,0]=4 194 B8R1.11 NCC1=NSC=C1Br D80073 [0,1,0,0,1,0|2,0,0]=4 195 B8R1.11 OCC1=C(Br)C=NS1 AT21093 [0,1,0,0,1,0|2,0,0]=4 196 B8R1.11 OCC1=C(Br)SC=N1 AT11862 [0,1,0,0,1,0|2,0,0]=4 197 B8R1.11 OCC1=C(F)C=CS1 AT22758 [0,1,0,0,1,0|2,0,0]=4 198 B8R1.11 OCC1=NSC=C1Br AT21092 [0,1,0,0,1,0|2,0,0]=4 199 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [0,2,0,0,0,0|1,0,1]=4 200 B10R1.1 CC#CC1=CN=C(Br)C=C1 E73185 [0,2,0,0,0,0|0,0,1]=3 201 B10R1.1 NCCC1=CNC(=O)C=C1 FD7157 [0,2,0,0,0,0|0,0,1]=3 202 B10R1.1 NCCC1=CNC(=O)N=C1 AT18222 [0,2,0,0,0,0|1,0,0]=3 203 B10R1.1 O=CCC1=CN=C(Br)C=C1 AC9639 [0,2,0,0,0,0|0,0,1]=3 204 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [0,2,0,0,0,0|1,0,1]=4 205 B10R1.3 CNC1=CC=C(NC)C=C1 AT11002 [0,2,0,0,0,0|2,0,0]=4 206 B10R1.3 COC1=CN=C(CN)N=C1 P14665 [0,2,0,0,0,0|2,0,0]=4 207 B10R1.3 COC1=NN=C(CN)C=C1 C15178 [0,2,0,0,0,0|2,0,0]=4 208 B10R1.3 N#CC1=NC=C(CO)C=N1 AC8458 [0,2,0,0,0,0|2,0,0]=4 209 B10R1.3 [C-]#[N+]C1=CN=C(OC)C=C1 AC9404 [0,2,0,0,0,0|1,0,1]=4 210 B10R1.13 CC(=O)C1=CN=C(N)N=C1 O10258 [0,2,0,0,0,0|1,0,1]=4 211 B10R1.13 CC(C)C1=CN=C(N)N=C1 FD7250 [0,2,0,0,0,0|1,0,0]=3 212 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56579 [0,2,0,0,0,0|1,0,0]=3 213 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56581 [0,2,0,0,0,0|1,0,0]=3 214 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [0,2,0,0,0,0|2,0,0]=4 215 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [0,2,0,0,0,0|2,0,0]=4 216 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 D96435 [0,2,0,0,0,0|1,0,0]=3 217 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [0,2,0,0,0,0|0,0,0]=2 218 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56587 [0,2,0,0,0,0|1,0,0]=3 219 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56589 [0,2,0,0,0,0|1,0,0]=3 220 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90823 [0,2,0,0,0,0|0,0,0]=2 221 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90824 [0,2,0,0,0,0|0,0,0]=2 222 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96354 [0,2,0,0,0,0|0,0,0]=2 223 B10R1.13 C[C@H](N)C1=CN=C(F)C=C1 AC7189 [0,2,0,0,0,0|0,0,0]=2 224 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [0,2,0,0,0,0|2,0,0]=4 225 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [0,2,0,0,0,0|2,0,0]=4 226 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [0,2,0,0,0,0|2,0,0]=4 227 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [0,2,0,0,0,0|2,0,0]=4 228 B10R1.13 C[S@](=O)C1=CN=C(Br)C=C1 22983 [0,2,0,0,0,0|1,0,0]=3 229 B10R1.13 FC(F)C1=CN=C(Cl)N=C1 AT12430 [0,2,0,0,0,0|2,0,0]=4 230 B10R1.13 N=C(N)C1=CN=C(Br)C=C1 W17790 [0,2,0,0,0,0|1,0,1]=4 231 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [0,2,0,0,0,0|2,0,0]=4 232 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 AT24663 [0,2,0,0,0,0|1,0,1]=4 233 B10R1.25 CC1=CC(Cl)=C(CO)C=N1 AT24662 [0,2,0,0,0,0|1,0,0]=3 234 B10R1.25 CC1=NC(C)=C(CCl)C=C1 93160 [0,2,0,0,0,0|1,0,0]=3 235 B10R1.25 CNC1=C(Br)C=C(C)N=N1 AT18441 [0,2,0,0,0,0|2,0,0]=4 236 B10R1.25 COC1=C(Br)C=C(F)N=C1 H10310 [0,2,0,0,0,0|1,0,0]=3 237 B10R1.25 COC1=C(Br)C=C(N)N=C1 P18768 [0,2,0,0,0,0|1,0,0]=3 238 B10R1.25 COC1=C(Cl)N=C(Br)N=C1 73469 [0,2,0,0,0,0|2,0,0]=4 239 B10R1.25 COC1=C(N)N=C(Cl)C=C1 AT10100 [0,2,0,0,0,0|1,0,0]=3 240 B10R1.25 CSC1=C(Br)C=C(N)C=C1 D87910 [0,2,0,0,0,0|2,0,0]=4 241 B10R1.25 FC1=C(CBr)C=CC(Br)=N1 AT21653 [0,2,0,0,0,0|1,0,0]=3 242 B10R1.25 N#CC1=C(F)C=C(N)N=C1 AT15270 [0,2,0,0,0,0|1,0,1]=4 243 B10R1.25 N#CC1=CC=C(N)N=C1O AT18220 [0,2,0,0,0,0|1,0,1]=4 244 B10R1.25 N#CC1=CN=C(Cl)C=C1N AT11358 [0,2,0,0,0,0|1,0,1]=4 245 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [0,2,0,0,0,0|1,0,1]=4 246 B10R1.25 OCC1=C(F)N=C(Br)C=C1 AT10214 [0,2,0,0,0,0|1,0,0]=3 247 B10R1.25 OCC1=NC=C(Cl)N=C1Cl AC9843 [0,2,0,0,0,0|2,0,0]=4 248 B10R1.25 [BH3-]C1=CC(Cl)=C(CO)C=C1 AC7773 [0,2,0,0,0,0|2,0,0]=4 249 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [0,2,0,0,0,0|2,0,0]=4 250 B10R1.176 CCC1=CC(C)=C(Br)C=N1 AT24017 [0,2,0,0,0,0|2,0,0]=4 251 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [0,2,0,0,0,0|2,0,0]=4 252 B10R1.176 COC1=CN=C(C)C(N)=C1 AT11250 [0,2,0,0,0,0|1,0,0]=3 253 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [0,2,0,0,0,0|2,0,0]=4 254 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [0,2,0,0,0,0|2,0,0]=4 255 B10R1.176 N#CC1=CC(Br)=C(F)N=C1 P12284 [0,2,0,0,0,0|1,0,1]=4 256 B10R1.176 N#CC1=CN=C(Br)C(N)=C1 P19318 [0,2,0,0,0,0|1,0,1]=4 257 B10R1.176 NCC1=CC(Br)=C(Cl)N=C1 79251 [0,2,0,0,0,0|1,0,0]=3 258 B10R1.176 NCC1=CC(Br)=C(I)C=C1 AT26930 [0,2,0,0,0,0|2,0,0]=4 259 B10R1.176 NCC1=CC(Cl)=C(O)N=C1 79293 [0,2,0,0,0,0|1,0,0]=3 260 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [0,2,0,0,0,0|2,0,0]=4 261 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [0,2,0,0,0,0|2,0,0]=4 262 B10R1.2 CCC1=C(C)C(C)=CC=C1 T73080 [0,2,0,0,0,0|1,0,0]=3 263 B10R1.2 CCC1=CN=CC(F)=C1N 93261 [0,2,0,0,0,0|0,0,0]=2 264 B10R1.2 CCN1C=CC=C(O)C1=O AT19248 [0,2,0,0,0,0|2,0,0]=4 265 B10R1.2 CN1C=CC=C(CCl)C1=O 55280 [0,2,0,0,0,0|1,0,1]=4 266 B10R1.2 COC1=C(I)C(N)=CN=C1 D74406 [0,2,0,0,0,0|1,0,0]=3 267 B10R1.2 N#CC1=CN=CC(F)=C1N 93262 [0,2,0,0,0,0|1,0,1]=4 268 B10R1.2 NCC1=CC=CC(F)=C1O D85259 [0,2,0,0,0,0|2,0,0]=4 269 B10R1.2 O=CC1=CN=CC(Cl)=C1Br AT21625 [0,2,0,0,0,0|1,0,1]=4 270 B10R1.2 OCC1=CN=CC(Br)=C1Br AT15999 [0,2,0,0,0,0|1,0,0]=3 271 B10R1.8 CCC1=CC(C)=CC(C)=C1 T73084 [0,2,0,0,0,0|1,0,0]=3 272 B10R1.10 C#CCC1=CC=CC(Cl)=C1 D75648 [0,2,0,0,0,0|1,0,1]=4 273 B10R1.10 CCNC1=CC=CC(Br)=N1 D77162 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.10 COCC1=NC=CC(N)=C1 P20443 [0,2,0,0,0,0|2,0,0]=4 275 B10R1.10 NC1=CC(CCO)=NC=C1 AC2677 [0,2,0,0,0,0|2,0,0]=4 276 B10R1.10 NC1=NC=CC(CCO)=C1 AT18203 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.10 NCCC1=CC(=O)NC=C1 C73270 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.30 CCC1=C(Br)C=CC(N)=N1 AT24914 [0,2,0,0,0,0|2,0,0]=4 279 B10R1.30 CCC1=CC(N)=NN=C1Cl AT21730 [0,2,0,0,0,0|1,0,0]=3 280 B10R1.30 COC1=CC(O)=CN=C1Cl P11886 [0,2,0,0,0,0|1,0,0]=3 281 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [0,2,0,0,0,0|2,0,0]=4 282 B10R1.30 CSC1=C(F)C=CC(Br)=C1 E72635 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.30 NCC1=CC(Br)=CN=C1Cl AT10812 [0,2,0,0,0,0|1,0,0]=3 285 B10R1.113 CC(C)C1=CN=CC(Cl)=N1 AT19946 [0,2,0,0,0,0|1,0,0]=3 286 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 D75135 [0,2,0,0,0,0|2,0,0]=4 287 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 D96342 [0,2,0,0,0,0|0,0,0]=2 288 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 N13197 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 D96341 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D96323 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.113 C[C@H](O)C1=CC(F)=NC=C1 AT10688 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.113 NC1=CC(C(F)F)=CN=C1 E72812 [0,2,0,0,0,0|1,0,0]=3 293 B10R1.113 OC1=CC(C(F)F)=CN=C1 AT26720 [0,2,0,0,0,0|1,0,0]=3 294 B10R1.172 C#CC1=CC(C#N)=CN=C1 94416 [0,2,0,0,0,0|0,0,2]=4 295 B10R1.172 C#CC1=CC(OC)=CN=C1 AT22617 [0,2,0,0,0,0|1,0,0]=3 296 B10R1.172 CCC1=CC=CC(CBr)=N1 P20680 [0,2,0,0,0,0|2,0,0]=4 297 B10R1.172 CCC1=CN=CC(CC)=N1 D86043 [0,2,0,0,0,0|1,0,0]=3 298 B10R1.172 CCC1=CN=CC(CN)=C1 AT26760 [0,2,0,0,0,0|0,0,0]=2 299 B10R1.172 CNC1=CC=CC(CO)=C1 AT21038 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.172 COC1=CN=CC(C=O)=N1 P12239 [0,2,0,0,0,0|2,0,0]=4 301 B10R1.172 COC1=NC(CN)=CN=C1 D76775 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [0,2,0,0,0,0|1,0,0]=3 304 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18142 [0,2,0,0,0,0|2,0,0]=4 305 B10R1.15 C[C@@H](CO)C1=NC=CC=C1 AT23842 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [0,2,0,0,0,0|1,0,0]=3 307 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [0,2,0,0,0,0|1,0,0]=3 308 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [0,2,0,0,0,0|1,0,0]=3 309 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [0,2,0,0,0,0|1,0,0]=3 310 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [0,2,0,0,0,0|1,0,0]=3 311 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [0,2,0,0,0,0|1,0,0]=3 312 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 N14219 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.15 N[C@@H](CO)C1=NC=CN=C1 AT24480 [0,2,0,0,0,0|1,0,0]=3 314 B10R1.15 N[C@@H](CO)C1=NC=CN=C1 AT24481 [0,2,0,0,0,0|1,0,0]=3 315 B10R1.15 O=C(CBr)C1=CN=CN=C1 O10670 [0,2,0,0,0,0|1,0,1]=4 316 B10R1.28 [2H]C([2H])(N)C1=CC=CC=C1 D99382 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.28 [2H]C([2H])([2H])C1=CC=CN=C1 D98305 [0,2,0,0,0,0|1,0,0]=3 318 B10R1.61 CN(C)C1=C(O)C=CC=C1 AT26775 [0,2,0,0,0,0|2,0,0]=4 319 B10R1.61 C[C@H](N)C1=CC=CN=C1F AC8220 [0,2,0,0,0,0|0,0,0]=2 320 B10R1.61 C[C@H](O)C1=C(F)C=CN=C1 AT10684 [0,2,0,0,0,0|0,0,0]=2 321 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [0,2,0,0,0,0|1,0,0]=3 322 B10R1.61 C[C@H](O)C1=CC=CN=C1F AT10061 [0,2,0,0,0,0|0,0,0]=2 323 B10R1.61 FC(F)C1=NC=CN=C1Cl AT12704 [0,2,0,0,0,0|2,0,0]=4 324 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [0,2,0,0,0,0|1,0,1]=4 325 B10R1.61 OC1=C(C(F)F)C=CC=C1 AT20035 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.4 CNCC1=C(Br)C=NC=C1 AT26684 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.4 COCC1=NC=CN=C1Cl N13228 [0,2,0,0,0,0|1,0,0]=3 328 B10R1.4 OCCC1=C(Br)C=NC=C1 AT12936 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.4 OCCC1=C(Br)C=NC=C1 D77127 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.17 ICCCC1=CN=CC=C1 E70092 [0,2,0,0,0,0|0,0,0]=2 331 B10R1.17 NCCCC1=CN=CN=C1 F52410 [0,2,0,0,0,0|1,0,0]=3 332 B10R1.18 CC(C)NC1=NC=CC=C1 D86001 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [0,2,0,0,0,0|1,0,1]=4 334 B10R1.18 O=C(O)CC1=CN=NC=C1 P19188 [0,2,0,0,0,0|1,0,1]=4 335 B10R1.18 O=C(O)CC1=NN=CC=C1 P10994 [0,2,0,0,0,0|1,0,1]=4 336 B10R1.20 C#CC1=C(OC)C=CC=N1 A10754 [0,2,0,0,0,0|1,0,0]=3 337 B10R1.20 C=CC1=C(CO)C=CC=C1 S11028 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.20 CCC1=CC=CN=C1C=O AT24573 [0,2,0,0,0,0|0,0,0]=2 339 B10R1.20 COC1=C(CCl)C=NC=N1 F30438 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.20 COC1=NC=CN=C1CN D77026 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.20 COC1=NN=CC=C1CN F30455 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.20 ClCC1=NC=CN=C1CCl C75391 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.245 COC1=C(Br)C=CN=C1Br D76094 [0,2,0,0,0,0|1,0,0]=3 344 B10R1.245 COC1=C(Br)C=CN=C1Cl D76095 [0,2,0,0,0,0|1,0,0]=3 345 B10R1.245 COC1=C(O)C=CC=C1C AT19440 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.245 CSC1=C(I)C=CC=C1Cl D85832 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.245 N#CC1=C(Br)C=CN=C1N AT24065 [0,2,0,0,0,0|1,0,1]=4 348 B10R1.245 N#CC1=C(N)C=CN=C1Br AT24063 [0,2,0,0,0,0|1,0,1]=4 349 B10R1.245 NC1=NC=CC(Br)=C1C=O P19341 [0,2,0,0,0,0|1,0,1]=4 350 B10R1.245 OCC1=C(I)C=CC=C1I AT18544 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.245 [C-]#[N+]C1=C(C)N=CC=C1C D84799 [0,2,0,0,0,0|1,0,1]=4 352 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [0,1,0,1,0,0|1,0,0]=3 353 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [0,1,0,1,0,0|1,0,0]=3 354 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [0,1,0,1,0,0|1,0,0]=3 355 B10R2.7 C1=CC2=C(C=N1)CCO2 D75261 [0,1,0,1,0,0|0,0,0]=2 356 B10R2.7 C1=CC2=C(C=N1)OC=C2 C73709 [0,1,0,1,0,0|0,0,2]=4 357 B10R2.7 C1=CC2=C(N=N1)NCC2 93646 [0,1,0,1,0,0|1,0,0]=3 358 B10R2.7 C1=CN=C2CNCC2=N1 C16552 [0,1,0,1,0,0|1,0,0]=3 359 B6R1.2 BrC1=CN=CO1 AT11056 [1,0,0,0,1,0|2,0,0]=4 360 B6R1.2 BrC1=COC=N1 AT11057 [1,0,0,0,1,0|2,0,0]=4 361 B6R1.2 FC1=NC=CN1 73631 [1,0,0,0,1,0|2,0,0]=4 362 B6R1.2 NC1=COC=C1 AC9528 [1,0,0,0,1,0|2,0,0]=4 363 B6R1.2 OC1=CC=CS1 AC4704 [1,0,0,0,1,0|2,0,0]=4