0 B8R1.1 C#CC1=NC(C)=CS1 E42681 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.1 CC1=CC(CN)=NO1 M15781 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CC1=CC=C(C#N)N1 M32172 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.1 CC1=CC=C(C#N)S1 M12843 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.1 CC1=CC=C(CN)O1 M37131 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.1 CC1=CN=C(C=O)S1 M19270 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.1 CC1=CN=C(CO)S1 M41173 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.1 CC1=CNC(C#N)=N1 M40951 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,0,0,0,0,0|2,1,1]=4 12 B8R1.1 CC1=COC(C=O)=N1 M12937 [0,0,0,0,0,0|1,1,1]=3 13 B8R1.1 CC1=CSC(C#N)=N1 M8139 [0,0,0,0,0,0|1,0,1]=2 14 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.1 CC1=CSC(C=O)=N1 M14992 [0,0,0,0,0,0|1,0,1]=2 16 B8R1.1 CC1=CSC(CN)=N1 M64512 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.1 CC1=NC(C=O)=CO1 M3278 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.1 CC1=NC(C=O)=CS1 F2075 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.1 CC1=NC(C=O)=NO1 M32392 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.1 CC1=NC(CCl)=NO1 C40128 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.1 CC1=NC(CN)=CO1 M41196 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.1 CC1=NC(CN)=CO1 M41310 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.1 CC1=NC=C(CBr)S1 B41111 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.1 CC1=NC=C(CN)O1 M41197 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 CC1=NC=C(CO)O1 M37561 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.1 CC1=NC=C(CO)S1 M1967 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 CC1=NN=C(CCl)S1 M66901 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.1 CC1=NOC(C=O)=N1 M36862 [0,0,0,0,0,0|2,1,1]=4 29 B8R1.1 CC1=NOC(CN)=C1 M41364 [0,0,0,0,0,0|3,1,0]=4 30 B8R1.1 CCC1=CC(N)=NO1 E41190 [0,0,0,0,0,0|3,1,0]=4 31 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.1 CCC1=CN=C(C)N1 E41428 [0,0,0,0,0,0|2,0,1]=3 33 B8R1.1 CCC1=CN=C(N)S1 E41203 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 CCC1=CN=C(N)S1 E69753 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.1 CCC1=NC(C)=CS1 E43395 [0,0,0,0,0,0|0,0,0]=0 36 B8R1.1 CCC1=NN=C(N)O1 A12274 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.1 CCC1=NNC(N)=C1 A9777 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.1 CCC1=NOC(N)=C1 E41189 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.1 CCN1C=C(Br)C=N1 B9823 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.1 CCN1C=C(N)C=N1 A12746 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.1 CC[N+]1=CN(C)C=C1 E38121 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.1 CC[N+]1=CN(C)C=C1 E41405 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 CC[N+]1=CN(C)C=C1 E43585 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.1 CC[N+]1=CN(C)C=C1 E46615 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.1 CN1C=CC(C#N)=N1 M12751 [0,0,0,0,0,0|3,0,1]=4 46 B8R1.1 CN1C=CC(C=O)=N1 M22764 [0,0,0,0,0,0|3,0,1]=4 47 B8R1.1 CN1C=CC(CCl)=N1 C25609 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.1 CN1C=CC(CN)=N1 M9952 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.1 CN1C=CC(CO)=N1 M9953 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.1 CN1C=NC(CCl)=C1 C21803 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.1 CN1C=NC(CCl)=N1 C40197 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.1 CN1C=NC(CN)=C1 A11226 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.1 CN1C=NC(CN)=C1 A11227 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.1 CN1C=NC(CN)=C1 A29740 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.1 CN1C=NC(CN)=N1 A14790 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.1 CN1C=NC(CN)=N1 M29766 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.1 CN1C=NC(CO)=C1 M12982 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.1 CN1C=NC(CO)=N1 M14789 [0,0,0,0,0,0|3,0,0]=3 59 B8R1.1 COC1=NC(Br)=CS1 B2259 [0,0,0,0,0,0|2,0,0]=2 60 B8R1.1 COC1=NC=C(Br)S1 B2563 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.1 CSC1=NC(Br)=CS1 T2262 [0,0,0,0,0,0|2,0,0]=2 62 B8R1.1 CSC1=NC(N)=NN1 M62161 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.1 ClCC1=CC=C(Cl)S1 C40699 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.1 ClCC1=CSC(Cl)=N1 C2721 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.1 N#CC1=CC(Br)=CS1 B12760 [0,0,0,0,0,0|3,0,1]=4 66 B8R1.1 N#CC1=CC(Cl)=CS1 C14085 [0,0,0,0,0,0|3,0,1]=4 67 B8R1.1 N#CC1=CC(N)=CS1 A63979 [0,0,0,0,0,0|3,0,1]=4 68 B8R1.1 N#CC1=NC(Br)=CS1 B13694 [0,0,0,0,0,0|2,0,1]=3 69 B8R1.1 N#CC1=NC(Cl)=CS1 C7757 [0,0,0,0,0,0|2,0,1]=3 70 B8R1.1 NC1=NC(CCl)=CS1 A2564 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.1 NC1=NC(CO)=CS1 A40186 [0,0,0,0,0,0|4,0,0]=4 72 B8R1.1 NCC1=CC(Br)=CS1 B41112 [0,0,0,0,0,0|3,0,0]=3 73 B8R1.1 NCC1=CC=C(Br)S1 A12757 [0,0,0,0,0,0|4,0,0]=4 74 B8R1.1 NCC1=CC=C(Cl)S1 A12836 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.1 NCC1=CC=C(Cl)S1 C27089 [0,0,0,0,0,0|4,0,0]=4 76 B8R1.1 NCC1=CC=C(F)S1 F8124 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.1 NCC1=NC=C(Br)S1 B10574 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.1 NCC1=NC=C(Br)S1 B13057 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.1 NCC1=NC=C(Cl)S1 C13932 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.1 O=CC1=CC(Br)=CS1 B12758 [0,0,0,0,0,0|3,0,1]=4 81 B8R1.1 O=CC1=CC(Cl)=CS1 C12489 [0,0,0,0,0,0|3,0,1]=4 82 B8R1.1 O=CC1=CC(I)=CS1 K40696 [0,0,0,0,0,0|3,0,1]=4 83 B8R1.1 O=CC1=NC(Br)=CS1 B2070 [0,0,0,0,0,0|2,0,1]=3 84 B8R1.1 OCC1=CC(Br)=CS1 B12759 [0,0,0,0,0,0|3,0,0]=3 85 B8R1.1 OCC1=CC(Cl)=CS1 C7722 [0,0,0,0,0,0|3,0,0]=3 86 B8R1.1 OCC1=CC=C(Br)S1 B12756 [0,0,0,0,0,0|4,0,0]=4 87 B8R1.1 OCC1=CC=C(Br)S1 B41016 [0,0,0,0,0,0|4,0,0]=4 88 B8R1.1 OCC1=CC=C(Cl)S1 C1567 [0,0,0,0,0,0|4,0,0]=4 89 B8R1.1 OCC1=CC=C(F)S1 F8123 [0,0,0,0,0,0|4,0,0]=4 90 B8R1.1 OCC1=COC(Br)=N1 B3572 [0,0,0,0,0,0|4,0,0]=4 91 B8R1.1 OCC1=CSC(Br)=N1 B2126 [0,0,0,0,0,0|4,0,0]=4 92 B8R1.1 OCC1=CSC(Cl)=N1 C2782 [0,0,0,0,0,0|4,0,0]=4 93 B8R1.1 OCC1=NC(Br)=CN1 B32450 [0,0,0,0,0,0|3,0,0]=3 94 B8R1.1 OCC1=NC(Br)=CS1 B10817 [0,0,0,0,0,0|2,0,0]=2 95 B8R1.1 OCC1=NC=C(Br)S1 B10575 [0,0,0,0,0,0|4,0,0]=4 96 B8R1.1 OCC1=NC=C(Cl)S1 C13054 [0,0,0,0,0,0|4,0,0]=4 97 B7R1.1 BrCC1=NC=CN1 B40117 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.1 C#CC1=CC=CS1 E42371 [1,0,0,0,0,0|1,0,2]=4 99 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,0,0,0|1,0,2]=4 100 B7R1.1 C=CC1=NC=CS1 V41009 [1,0,0,0,0,0|0,0,2]=3 101 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,0,0|1,0,0]=2 102 B7R1.1 CCC1=NN=CO1 E37555 [1,0,0,0,0,0|1,1,0]=3 103 B7R1.1 CCN1C=CN=N1 E40219 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.1 CCN1C=NC=N1 E40218 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,0,0,0|1,0,0]=2 106 B7R1.1 CNC1=NC=NS1 M32356 [1,0,0,0,0,0|2,0,0]=3 107 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,0,0|2,0,0]=3 108 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,0,0,0|1,0,0]=2 109 B7R1.1 CSC1=NC=CO1 M40164 [1,0,0,0,0,0|1,1,0]=3 110 B7R1.1 ClCC1=CN=CS1 C32421 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.1 ClCC1=CNC=N1 C2088 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.1 ClCC1=CSC=N1 C2334 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.1 ClCC1=NC=CO1 C40107 [1,0,0,0,0,0|1,1,0]=3 114 B7R1.1 ClCC1=NOC=N1 C24041 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.1 N#CC1=CC=CS1 T40685 [1,0,0,0,0,0|2,0,1]=4 116 B7R1.1 N#CC1=NC=CN1 I1797 [1,0,0,0,0,0|2,0,1]=4 117 B7R1.1 N#CC1=NC=CN1 I7356 [1,0,0,0,0,0|2,0,1]=4 118 B7R1.1 N#CC1=NC=CS1 C15601 [1,0,0,0,0,0|1,0,1]=3 119 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,0,0|2,0,1]=4 120 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,0,0|2,0,0]=3 121 B7R1.1 NCC1=CN=CS1 T11225 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.1 NCC1=CN=CS1 T37607 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.1 NCC1=CN=CS1 T40190 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.1 NCC1=CNC=N1 K40332 [1,0,0,0,0,0|3,0,0]=4 125 B7R1.1 NCC1=COC=N1 A40322 [1,0,0,0,0,0|3,0,0]=4 126 B7R1.1 NCC1=COC=N1 O7924 [1,0,0,0,0,0|3,0,0]=4 127 B7R1.1 NCC1=COC=N1 X11296 [1,0,0,0,0,0|3,0,0]=4 128 B7R1.1 NCC1=CSC=N1 T13924 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.1 NCC1=CSC=N1 T29521 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,0,0|2,0,0]=3 131 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,0,0|2,0,0]=3 132 B7R1.1 NCC1=NC=CS1 A11223 [1,0,0,0,0,0|1,0,0]=2 133 B7R1.1 NCC1=NC=CS1 T11224 [1,0,0,0,0,0|1,0,0]=2 134 B7R1.1 NCC1=NC=CS1 T24256 [1,0,0,0,0,0|1,0,0]=2 135 B7R1.1 NCC1=NNC=C1 P9792 [1,0,0,0,0,0|3,0,0]=4 136 B7R1.1 NCC1=NOC=C1 I29536 [1,0,0,0,0,0|3,0,0]=4 137 B7R1.1 NCC1=NOC=C1 I7943 [1,0,0,0,0,0|3,0,0]=4 138 B7R1.1 NCC1=NSC=C1 I15218 [1,0,0,0,0,0|3,0,0]=4 139 B7R1.1 NNC1=NC=CS1 H39914 [1,0,0,0,0,0|2,0,0]=3 140 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,0,0,0|2,0,1]=4 141 B7R1.1 O=CC1=NC=CN1 F2135 [1,0,0,0,0,0|2,0,1]=4 142 B7R1.1 O=CC1=NC=CS1 T2877 [1,0,0,0,0,0|1,0,1]=3 143 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,0,0|2,0,0]=3 144 B7R1.1 OCC1=CN=CS1 T2166 [1,0,0,0,0,0|3,0,0]=4 145 B7R1.1 OCC1=CNC=N1 H2067 [1,0,0,0,0,0|3,0,0]=4 146 B7R1.1 OCC1=COC=N1 O7923 [1,0,0,0,0,0|3,0,0]=4 147 B7R1.1 OCC1=CSC=N1 T2165 [1,0,0,0,0,0|3,0,0]=4 148 B7R1.1 OCC1=NC=CN1 I38716 [1,0,0,0,0,0|2,0,0]=3 149 B7R1.1 OCC1=NC=CO1 X14019 [1,0,0,0,0,0|1,1,0]=3 150 B7R1.1 OCC1=NC=CS1 H3028 [1,0,0,0,0,0|1,0,0]=2 151 B7R1.1 OCC1=NC=NN1 T39912 [1,0,0,0,0,0|3,0,0]=4 152 B7R1.1 OCC1=NNC=C1 H7696 [1,0,0,0,0,0|3,0,0]=4 153 B7R1.1 OCC1=NOC=C1 I11321 [1,0,0,0,0,0|3,0,0]=4 154 B7R1.1 OCN1C=CC=N1 P9800 [1,0,0,0,0,0|3,0,0]=4 155 B7R1.2 BrC1=CSC(Br)=N1 D2472 [1,0,0,0,0,0|2,0,0]=3 156 B7R1.2 CC1=CC(Br)=CS1 B40867 [1,0,0,0,0,0|2,0,0]=3 157 B7R1.2 CC1=CC(C)=NO1 D39182 [1,0,0,0,0,0|2,1,0]=4 158 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,0,0,0,0,0|3,0,0]=4 159 B7R1.2 CC1=CC=C(Br)S1 B40865 [1,0,0,0,0,0|3,0,0]=4 160 B7R1.2 CC1=CC=C(C)S1 D43320 [1,0,0,0,0,0|2,0,0]=3 161 B7R1.2 CC1=CC=C(I)S1 K40868 [1,0,0,0,0,0|3,0,0]=4 162 B7R1.2 CC1=CN(C)N=C1 D69464 [1,0,0,0,0,0|3,0,0]=4 163 B7R1.2 CC1=CN=C(Br)S1 B40104 [1,0,0,0,0,0|3,0,0]=4 164 B7R1.2 CC1=CN=C(C)S1 D38993 [1,0,0,0,0,0|2,0,0]=3 165 B7R1.2 CC1=CN=C(Cl)S1 C1978 [1,0,0,0,0,0|3,0,0]=4 166 B7R1.2 CC1=CN=C(N)S1 A69715 [1,0,0,0,0,0|3,0,0]=4 167 B7R1.2 CC1=CN=C(N)S1 M69725 [1,0,0,0,0,0|3,0,0]=4 168 B7R1.2 CC1=CNC(Br)=N1 B40115 [1,0,0,0,0,0|2,0,0]=3 169 B7R1.2 CC1=CNC(C)=N1 D41187 [1,0,0,0,0,0|1,0,0]=2 170 B7R1.2 CC1=CNC(I)=N1 K40123 [1,0,0,0,0,0|2,0,0]=3 171 B7R1.2 CC1=COC(N)=N1 A2053 [1,0,0,0,0,0|1,1,0]=3 172 B7R1.2 CC1=CSC(Br)=N1 B2087 [1,0,0,0,0,0|1,0,0]=2 173 B7R1.2 CC1=CSC(C)=N1 D41174 [1,0,0,0,0,0|0,0,0]=1 174 B7R1.2 CC1=CSC(N)=C1 A0597 [1,0,0,0,0,0|2,0,0]=3 175 B7R1.2 CC1=NC(Br)=CN1 B2121 [1,0,0,0,0,0|2,0,0]=3 176 B7R1.2 CC1=NC(Br)=CS1 B2069 [1,0,0,0,0,0|1,0,0]=2 177 B7R1.2 CC1=NC(N)=NO1 M39856 [1,0,0,0,0,0|2,1,0]=4 178 B7R1.2 CC1=NC=C(Br)S1 B5222 [1,0,0,0,0,0|3,0,0]=4 179 B7R1.2 CC1=NC=C(I)N1 K40124 [1,0,0,0,0,0|2,0,1]=4 180 B7R1.2 CC1=NC=C(N)S1 M40189 [1,0,0,0,0,0|3,0,0]=4 181 B7R1.2 CC1=NN(C)C=C1 D4115 [1,0,0,0,0,0|2,0,0]=3 182 B7R1.2 CC1=NN=C(C)N1 D0366 [1,0,0,0,0,0|2,0,1]=4 183 B7R1.2 CC1=NN=C(C)O1 D13454 [1,0,0,0,0,0|3,0,0]=4 184 B7R1.2 CC1=NSC(Br)=N1 B39817 [1,0,0,0,0,0|2,0,0]=3 185 B7R1.2 CC1=NSC(Cl)=N1 C39820 [1,0,0,0,0,0|2,0,0]=3 186 B7R1.2 CC1=NSC(I)=C1 I6114 [1,0,0,0,0,0|3,0,0]=4 187 B7R1.2 CC1=NSC(N)=C1 M65783 [1,0,0,0,0,0|3,0,0]=4 188 B7R1.2 CC1=NSC(N)=N1 A39858 [1,0,0,0,0,0|2,0,0]=3 189 B7R1.2 CN1C=CC(Br)=N1 B5930 [1,0,0,0,0,0|3,0,0]=4 190 B7R1.2 CN1C=CC(Cl)=N1 C64917 [1,0,0,0,0,0|3,0,0]=4 191 B7R1.2 CN1C=CC(I)=N1 M13226 [1,0,0,0,0,0|3,0,0]=4 192 B7R1.2 CN1C=CC(N)=N1 A3263 [1,0,0,0,0,0|3,0,0]=4 193 B7R1.2 CN1C=NC(Br)=N1 B36665 [1,0,0,0,0,0|3,0,0]=4 194 B7R1.2 CN1C=NC(N)=N1 M38833 [1,0,0,0,0,0|3,0,0]=4 195 B7R1.2 CN1N=CC(Br)=N1 B39841 [1,0,0,0,0,0|3,0,0]=4 196 B7R1.2 ClC1=CSC(Br)=N1 B37462 [1,0,0,0,0,0|2,0,0]=3 197 B7R1.2 ClC1=CSC(Cl)=N1 D23613 [1,0,0,0,0,0|2,0,0]=3 198 B7R1.2 ClC1=NC(Br)=CS1 B5835 [1,0,0,0,0,0|2,0,0]=3 199 B7R1.2 IC1=COC(I)=N1 D6541 [1,0,0,0,0,0|2,1,0]=4 200 B7R1.2 NC1=CSC(Cl)=C1 A14220 [1,0,0,0,0,0|3,0,0]=4 201 B7R1.2 NC1=CSC(Cl)=C1 A7362 [1,0,0,0,0,0|3,0,0]=4 202 B7R1.2 NC1=CSC(N)=N1 T39915 [1,0,0,0,0,0|2,0,0]=3 203 B7R1.2 NC1=NC(=O)CS1 A2444 [1,0,0,0,0,0|2,0,1]=4 204 B7R1.2 NC1=NC(=O)CS1 A67692 [1,0,0,0,0,0|2,0,1]=4 205 B7R1.2 NC1=NC(Br)=CS1 A23949 [1,0,0,0,0,0|2,0,0]=3 206 B7R1.2 NC1=NC(Br)=NS1 B69719 [1,0,0,0,0,0|3,0,0]=4 207 B7R1.2 NC1=NC(O)=CS1 A39839 [1,0,0,0,0,0|2,0,0]=3 208 B7R1.2 OC1=NC(Br)=CS1 B39814 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.7 CC1=NNC(CC#N)=N1 M65089 [0,1,0,0,0,0|2,0,1]=4 211 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.7 CCOC1=NC(Br)=CS1 B2261 [0,1,0,0,0,0|1,0,0]=2 213 B9R1.7 CNCC1=CN(C)C=N1 M16460 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.7 NC1=NN(CCO)C=C1 A41247 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.21 CCC1=CSC(C=O)=N1 E43175 [0,1,0,0,0,0|1,0,1]=3 216 B9R1.21 CCN1C=C(CN)C=N1 E41492 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.21 COC1=CC=C(OC)S1 D43309 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.21 OCC1=CC=C(CO)O1 F69147 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.23 CC1=C(Br)SC(C=O)=C1 B14087 [0,1,0,0,0,0|2,0,1]=4 220 B9R1.23 CC1=C(C)SC(C#N)=N1 C7813 [0,1,0,0,0,0|1,0,1]=3 221 B9R1.23 CC1=C(C)SC(C=O)=N1 D25172 [0,1,0,0,0,0|1,0,1]=3 222 B9R1.23 CC1=CC(CCl)=NN1C C11366 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.23 CC1=CC(CN)=NN1C A11367 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.23 CC1=CC(CO)=NN1C H11365 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.23 CCC1=NC(C)=C(Br)S1 B43293 [0,1,0,0,0,0|0,0,0]=1 226 B9R1.23 CCN1C=C(N)C(C)=N1 A15545 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.23 CCN1C=C(N)C(C)=N1 E61343 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.35 CC(=O)C1=CC(Br)=CS1 B13699 [0,1,0,0,0,0|2,0,1]=4 229 B9R1.35 CC(=O)C1=CC(Cl)=CS1 A12844 [0,1,0,0,0,0|2,0,1]=4 230 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,1,0,0,0,0|2,0,1]=4 231 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,1,0,0,0,0|0,1,1]=3 232 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [0,1,0,0,0,0|2,0,1]=4 233 B9R1.35 CC(C)C1=CSC(Br)=N1 B43291 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.35 CC(C)C1=NC(Br)=CS1 B2063 [0,1,0,0,0,0|1,0,0]=2 235 B9R1.35 CC(C)C1=NC=C(Br)S1 B64788 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.35 CC1=CSC(B(O)O)=C1 M4580 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.35 CC1=CSC(C(=O)O)=N1 M14993 [0,1,0,0,0,0|1,0,1]=3 238 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [0,1,0,0,0,0|0,0,0]=1 239 B9R1.35 C[C@H](O)C1=CN(C)C=N1 M0652 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.35 O=C(O)C1=NC(Br)=CS1 B7895 [0,1,0,0,0,0|2,0,1]=4 241 B9R1.132 CC1=CC=C(CN)N1C A13529 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.2 CCC(=O)CC(C)=O H69646 [0,0,1,0,0,0|2,1,0]=4 243 B7R0.2 CCC(=O)OC(C)=O A41227 [0,0,1,0,0,0|2,1,0]=4 244 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [0,0,0,0,0,1|3,0,0]=4 245 B9R1.1 BrCC1=NC=C(Br)C=N1 B37593 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.1 BrCC1=NN=C(Br)C=C1 B36805 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [0,0,0,0,0,1|1,0,2]=4 248 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.1 CC1=CC=C(CN)N=N1 M0158 [0,0,0,0,0,1|2,0,0]=3 250 B9R1.1 CC1=CC=C(CN)N=N1 M27037 [0,0,0,0,0,1|2,0,0]=3 251 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.1 CC1=CC=C(NN)N=N1 H23440 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.1 CC1=CN=C(C#N)C=C1 C4792 [0,0,0,0,0,1|2,0,1]=4 254 B9R1.1 CC1=CN=C(C#N)C=N1 M42468 [0,0,0,0,0,1|2,0,1]=4 255 B9R1.1 CC1=CN=C(C#N)N=C1 M11787 [0,0,0,0,0,1|2,0,1]=4 256 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [0,0,0,0,0,1|2,0,1]=4 257 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [0,0,0,0,0,1|2,0,1]=4 258 B9R1.1 CC1=CN=C(C=O)N=C1 M11474 [0,0,0,0,0,1|2,0,1]=4 259 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [0,0,0,0,0,1|2,0,0]=3 260 B9R1.1 CC1=CN=C(CCl)C=N1 C11548 [0,0,0,0,0,1|2,0,0]=3 261 B9R1.1 CC1=CN=C(CCl)C=N1 C43004 [0,0,0,0,0,1|2,0,0]=3 262 B9R1.1 CC1=CN=C(CCl)N=C1 C14428 [0,0,0,0,0,1|2,0,0]=3 263 B9R1.1 CC1=CN=C(CCl)N=C1 C8015 [0,0,0,0,0,1|2,0,0]=3 264 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [0,0,0,0,0,1|2,0,0]=3 265 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [0,0,0,0,0,1|2,0,0]=3 266 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [0,0,0,0,0,1|2,0,0]=3 267 B9R1.1 CC1=CN=C(CN)N=C1 M11333 [0,0,0,0,0,1|2,0,0]=3 268 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [0,0,0,0,0,1|2,0,0]=3 269 B9R1.1 CC1=CN=C(CO)N=C1 H11473 [0,0,0,0,0,1|2,0,0]=3 270 B9R1.1 CC1=CN=C(NN)C=C1 H63578 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.1 CC1=NC=C(C#N)C=C1 M12704 [0,0,0,0,0,1|2,0,1]=4 272 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [0,0,0,0,0,1|2,0,1]=4 273 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [0,0,0,0,0,1|2,0,0]=3 274 B9R1.1 CC1=NC=C(CBr)C=N1 B42978 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [0,0,0,0,0,1|2,0,0]=3 276 B9R1.1 CC1=NC=C(CCl)C=N1 C19650 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [0,0,0,0,0,1|2,0,0]=3 278 B9R1.1 CC1=NC=C(CN)C=N1 A1723 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [0,0,0,0,0,1|2,0,0]=3 280 B9R1.1 CC1=NC=C(CO)C=N1 H12381 [0,0,0,0,0,1|3,0,0]=4 281 B9R1.1 CC1=NC=C(NN)C=C1 H14024 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.1 CC1=NN=C(C#N)C=C1 M0552 [0,0,0,0,0,1|2,0,1]=4 283 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [0,0,0,0,0,1|3,0,0]=4 284 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [0,0,0,0,0,1|3,0,0]=4 285 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [0,0,0,0,0,1|3,0,0]=4 286 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [0,0,0,0,0,1|3,0,0]=4 287 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [0,0,0,0,0,1|2,0,0]=3 288 B9R1.1 CCC1=CN=C(Cl)N=C1 E11897 [0,0,0,0,0,1|3,0,0]=4 289 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [0,0,0,0,0,1|2,0,0]=3 290 B9R1.1 CCC1=CN=C(N)N=C1 E28664 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [0,0,0,0,0,1|2,0,0]=3 292 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [0,0,0,0,0,1|2,0,0]=3 293 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [0,0,0,0,0,1|2,0,0]=3 294 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [0,0,0,0,0,1|2,0,0]=3 295 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [0,0,0,0,0,1|2,0,0]=3 296 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [0,0,0,0,0,1|3,0,0]=4 297 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [0,0,0,0,0,1|2,0,0]=3 298 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.1 CNC1=NC=C(Br)C=N1 B41067 [0,0,0,0,0,1|3,0,0]=4 300 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [0,0,0,0,0,1|2,0,0]=3 301 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [0,0,0,0,0,1|3,0,0]=4 304 B9R1.1 CNC1=NN=C(Br)C=C1 B41068 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.1 CNC1=NN=C(Cl)C=C1 C41078 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [0,0,0,0,0,1|3,0,0]=4 307 B9R1.1 COC1=CN=C(Br)C=N1 B14594 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.1 COC1=CN=C(Cl)C=N1 C14595 [0,0,0,0,0,1|3,0,0]=4 310 B9R1.1 COC1=CN=C(F)C=C1 F42925 [0,0,0,0,0,1|3,0,0]=4 311 B9R1.1 COC1=CN=C(I)C=C1 I5931 [0,0,0,0,0,1|3,0,0]=4 312 B9R1.1 COC1=CN=C(N)C=C1 A10497 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [0,0,0,0,0,1|3,0,0]=4 314 B9R1.1 COC1=NC=C(Br)C=N1 B2218 [0,0,0,0,0,1|3,0,0]=4 315 B9R1.1 COC1=NC=C(C)C=C1 M67554 [0,0,0,0,0,1|2,0,0]=3 316 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [0,0,0,0,0,1|3,0,0]=4 317 B9R1.1 COC1=NC=C(Cl)C=N1 C40931 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.1 COC1=NC=C(F)C=C1 F24011 [0,0,0,0,0,1|3,0,0]=4 319 B9R1.1 COC1=NC=C(I)C=C1 K42935 [0,0,0,0,0,1|3,0,0]=4 320 B9R1.1 COC1=NC=C(I)C=N1 K40945 [0,0,0,0,0,1|3,0,0]=4 321 B9R1.1 COC1=NC=C(N)C=C1 A12692 [0,0,0,0,0,1|3,0,0]=4 322 B9R1.1 COC1=NC=C(N)C=N1 M24312 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.1 COC1=NC=C(N)N=C1 M9733 [0,0,0,0,0,1|3,0,0]=4 324 B9R1.1 COC1=NC=C(O)C=C1 H43140 [0,0,0,0,0,1|3,0,0]=4 325 B9R1.1 COC1=NN=C(Br)C=C1 B36769 [0,0,0,0,0,1|3,0,0]=4 326 B9R1.1 COC1=NN=C(C)C=C1 M43203 [0,0,0,0,0,1|2,0,0]=3 327 B9R1.1 COC1=NN=C(Cl)C=C1 C12386 [0,0,0,0,0,1|3,0,0]=4 328 B9R1.1 COC1=NN=C(I)C=C1 K40944 [0,0,0,0,0,1|3,0,0]=4 329 B9R1.1 COC1=NN=C(N)C=C1 A12790 [0,0,0,0,0,1|3,0,0]=4 330 B9R1.1 COC1=NN=C(N)C=C1 M62955 [0,0,0,0,0,1|3,0,0]=4 331 B9R1.1 CSC1=CN=C(Br)C=N1 B40873 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.1 CSC1=NC=C(Br)C=N1 B2361 [0,0,0,0,0,1|3,0,0]=4 335 B9R1.1 CSC1=NC=C(Cl)C=N1 C23410 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.1 CSC1=NC=C(O)C=N1 M41048 [0,0,0,0,0,1|3,0,0]=4 337 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.1 ClCC1=CN=C(Cl)C=N1 C40730 [0,0,0,0,0,1|3,0,0]=4 341 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [0,0,0,0,0,1|3,0,0]=4 342 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.1 ClCC1=NC=C(Br)C=N1 B14442 [0,0,0,0,0,1|3,0,0]=4 344 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [0,0,0,0,0,1|3,0,0]=4 345 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [0,0,0,0,0,1|3,0,0]=4 346 B9R1.1 ClCC1=NC=C(Cl)C=N1 C14440 [0,0,0,0,0,1|3,0,0]=4 347 B9R1.1 ClCC1=NN=C(Cl)C=C1 C14685 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.1 ClCC1=NN=C(Cl)C=C1 C40731 [0,0,0,0,0,1|3,0,0]=4 349 B9R1.1 FC1=CN=C(CCl)N=C1 C31600 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [0,0,0,0,0,1|3,0,0]=4 351 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [0,0,0,0,0,1|3,0,0]=4 352 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [0,0,0,0,0,1|3,0,0]=4 353 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [0,0,0,0,0,1|3,0,0]=4 354 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [0,0,0,0,0,1|3,0,0]=4 355 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [0,0,0,0,0,1|3,0,0]=4 356 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [0,0,0,0,0,1|3,0,0]=4 357 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [0,0,0,0,0,1|3,0,0]=4 358 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [0,0,0,0,0,1|3,0,0]=4 359 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [0,0,0,0,0,1|3,0,0]=4 360 B9R1.1 NCC1=NC=C(Br)C=N1 B11273 [0,0,0,0,0,1|3,0,0]=4 361 B9R1.1 NCC1=NC=C(Br)C=N1 B29572 [0,0,0,0,0,1|3,0,0]=4 362 B9R1.1 NCC1=NC=C(Br)C=N1 B41070 [0,0,0,0,0,1|3,0,0]=4 363 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [0,0,0,0,0,1|3,0,0]=4 364 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [0,0,0,0,0,1|3,0,0]=4 365 B9R1.1 NCC1=NC=C(F)C=N1 F14038 [0,0,0,0,0,1|3,0,0]=4 366 B9R1.1 NCC1=NC=C(F)C=N1 F29609 [0,0,0,0,0,1|3,0,0]=4 367 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [0,0,0,0,0,1|3,0,0]=4 368 B9R1.1 NCC1=NN=C(Cl)C=C1 C36937 [0,0,0,0,0,1|3,0,0]=4 369 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [0,0,0,0,0,1|3,0,0]=4 370 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [0,0,0,0,0,1|3,0,0]=4 371 B9R1.1 OCC1=CN=C(Cl)C=N1 C1534 [0,0,0,0,0,1|3,0,0]=4 372 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [0,0,0,0,0,1|3,0,0]=4 373 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [0,0,0,0,0,1|3,0,0]=4 374 B9R1.1 OCC1=NC=C(Br)C=N1 B14040 [0,0,0,0,0,1|3,0,0]=4 375 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [0,0,0,0,0,1|3,0,0]=4 376 B9R1.1 OCC1=NC=C(Cl)C=N1 C14437 [0,0,0,0,0,1|3,0,0]=4 377 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [0,0,0,0,0,1|3,0,0]=4 378 B9R1.1 OCC1=NC=C(F)C=N1 F11272 [0,0,0,0,0,1|3,0,0]=4 379 B9R1.1 OCC1=NN=C(Cl)C=C1 C14684 [0,0,0,0,0,1|3,0,0]=4 380 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [0,0,0,0,0,1|3,0,0]=4 381 B9R1.2 C#CC1=NC(C)=CC=C1 E13754 [0,0,0,0,0,1|1,0,2]=4 382 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [0,0,0,0,0,1|1,0,2]=4 383 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [0,0,0,0,0,1|3,0,0]=4 384 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [0,0,0,0,0,1|3,0,0]=4 385 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [0,0,0,0,0,1|3,0,0]=4 386 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [0,0,0,0,0,1|3,0,0]=4 387 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [0,0,0,0,0,1|3,0,0]=4 388 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [0,0,0,0,0,1|3,0,0]=4 389 B9R1.2 CC1=CC(CO)=NC=N1 M11486 [0,0,0,0,0,1|3,0,0]=4 390 B9R1.2 CC1=CC(CO)=NN=C1 M27710 [0,0,0,0,0,1|3,0,0]=4 391 B9R1.2 CC1=CC=CC(C#N)=N1 C7796 [0,0,0,0,0,1|2,0,1]=4 392 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [0,0,0,0,0,1|2,0,1]=4 393 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [0,0,0,0,0,1|2,0,0]=3 394 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [0,0,0,0,0,1|2,0,0]=3 395 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [0,0,0,0,0,1|3,0,0]=4 396 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [0,0,0,0,0,1|2,0,0]=3 397 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [0,0,0,0,0,1|2,0,0]=3 398 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [0,0,0,0,0,1|2,0,0]=3 399 B9R1.2 CC1=CC=CC(NN)=N1 H69493 [0,0,0,0,0,1|3,0,0]=4 400 B9R1.2 CC1=CC=NC(C#N)=N1 M14134 [0,0,0,0,0,1|2,0,1]=4 401 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [0,0,0,0,0,1|2,0,1]=4 402 B9R1.2 CC1=CC=NC(CCl)=N1 C11471 [0,0,0,0,0,1|2,0,0]=3 403 B9R1.2 CC1=CC=NC(CN)=N1 A14426 [0,0,0,0,0,1|2,0,0]=3 404 B9R1.2 CC1=CC=NC(CN)=N1 M29730 [0,0,0,0,0,1|2,0,0]=3 405 B9R1.2 CC1=CC=NC(CO)=N1 H11472 [0,0,0,0,0,1|2,0,0]=3 406 B9R1.2 CC1=CN=CC(C#N)=N1 M42469 [0,0,0,0,0,1|2,0,1]=4 407 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [0,0,0,0,0,1|2,0,1]=4 408 B9R1.2 CC1=CN=CC(CCl)=N1 C43005 [0,0,0,0,0,1|2,0,0]=3 409 B9R1.2 CC1=CN=NC(CN)=C1 A13026 [0,0,0,0,0,1|3,0,0]=4 410 B9R1.2 CC1=CN=NC(CN)=C1 M27097 [0,0,0,0,0,1|3,0,0]=4 411 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [0,0,0,0,0,1|2,0,1]=4 412 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [0,0,0,0,0,1|3,0,0]=4 413 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [0,0,0,0,0,1|3,0,0]=4 414 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [0,0,0,0,0,1|3,0,0]=4 415 B9R1.2 CCC1=CC(=O)NC=N1 E43198 [0,0,0,0,0,1|3,0,0]=4 416 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [0,0,0,0,0,1|3,0,0]=4 417 B9R1.2 CCC1=CC(Cl)=NC=N1 C69336 [0,0,0,0,0,1|3,0,0]=4 418 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [0,0,0,0,0,1|3,0,0]=4 419 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [0,0,0,0,0,1|3,0,0]=4 420 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [0,0,0,0,0,1|2,0,0]=3 421 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [0,0,0,0,0,1|3,0,0]=4 422 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [0,0,0,0,0,1|2,0,0]=3 423 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [0,0,0,0,0,1|3,0,0]=4 424 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [0,0,0,0,0,1|3,0,0]=4 425 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [0,0,0,0,0,1|3,0,0]=4 426 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [0,0,0,0,0,1|2,0,0]=3 427 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [0,0,0,0,0,1|3,0,0]=4 428 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [0,0,0,0,0,1|3,0,0]=4 429 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [0,0,0,0,0,1|3,0,0]=4 430 B9R1.2 CNC1=CC=NC(Cl)=N1 C41077 [0,0,0,0,0,1|3,0,0]=4 431 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [0,0,0,0,0,1|2,0,0]=3 432 B9R1.2 CNC1=NC=CC(Br)=N1 B41064 [0,0,0,0,0,1|3,0,0]=4 433 B9R1.2 CNC1=NC=CC(Cl)=N1 C22466 [0,0,0,0,0,1|3,0,0]=4 434 B9R1.2 COC1=CC(C)=NC=C1 M22575 [0,0,0,0,0,1|3,0,0]=4 435 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [0,0,0,0,0,1|3,0,0]=4 436 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [0,0,0,0,0,1|3,0,0]=4 437 B9R1.2 COC1=CC=CC(F)=N1 F67375 [0,0,0,0,0,1|3,0,0]=4 438 B9R1.2 COC1=CC=CC(I)=N1 K42932 [0,0,0,0,0,1|3,0,0]=4 439 B9R1.2 COC1=CC=NC(Br)=N1 B38735 [0,0,0,0,0,1|3,0,0]=4 440 B9R1.2 COC1=CC=NC(Cl)=N1 C40928 [0,0,0,0,0,1|3,0,0]=4 441 B9R1.2 COC1=CC=NC(I)=N1 K40943 [0,0,0,0,0,1|3,0,0]=4 442 B9R1.2 COC1=CN=CC(Cl)=N1 C2454 [0,0,0,0,0,1|3,0,0]=4 443 B9R1.2 COC1=CN=CC(I)=N1 I2676 [0,0,0,0,0,1|3,0,0]=4 444 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,0,0,0,0,1|2,0,0]=3 445 B9R1.2 COC1=NC(C)=CC=N1 M43202 [0,0,0,0,0,1|2,0,0]=3 446 B9R1.2 COC1=NC(C)=NC=C1 M43205 [0,0,0,0,0,1|2,0,0]=3 447 B9R1.2 COC1=NC(N)=CC=C1 A43190 [0,0,0,0,0,1|3,0,0]=4 448 B9R1.2 COC1=NC(N)=CC=N1 A4018 [0,0,0,0,0,1|3,0,0]=4 449 B9R1.2 COC1=NC(N)=CN=C1 A8995 [0,0,0,0,0,1|3,0,0]=4 450 B9R1.2 COC1=NC(N)=NC=C1 M0076 [0,0,0,0,0,1|3,0,0]=4 451 B9R1.2 COC1=NC(N)=NC=N1 M37452 [0,0,0,0,0,1|3,0,0]=4 452 B9R1.2 COC1=NC=CC(Br)=N1 B5967 [0,0,0,0,0,1|3,0,0]=4 453 B9R1.2 COC1=NC=CC(C)=C1 M46379 [0,0,0,0,0,1|3,0,0]=4 454 B9R1.2 COC1=NC=CC(Cl)=N1 C40930 [0,0,0,0,0,1|3,0,0]=4 455 B9R1.2 COC1=NC=NC(C)=C1 M43206 [0,0,0,0,0,1|3,0,0]=4 456 B9R1.2 COC1=NC=NC(Cl)=N1 C37442 [0,0,0,0,0,1|3,0,0]=4 457 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [0,0,0,0,0,1|3,0,0]=4 458 B9R1.2 CSC1=CC=NC(Cl)=N1 C2667 [0,0,0,0,0,1|3,0,0]=4 459 B9R1.2 CSC1=NC(O)=CC=N1 M5030 [0,0,0,0,0,1|3,0,0]=4 460 B9R1.2 CSC1=NC=CC(Br)=N1 B40874 [0,0,0,0,0,1|3,0,0]=4 461 B9R1.2 CSC1=NC=CC(Cl)=N1 C2497 [0,0,0,0,0,1|3,0,0]=4 462 B9R1.2 CSC1=NC=CC(I)=N1 I2674 [0,0,0,0,0,1|3,0,0]=4 463 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [0,0,0,0,0,1|3,0,0]=4 464 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [0,0,0,0,0,1|3,0,0]=4 465 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [0,0,0,0,0,1|3,0,0]=4 466 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [0,0,0,0,0,1|3,0,0]=4 467 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [0,0,0,0,0,1|3,0,0]=4 468 B9R1.2 NC1=NC=CC(CO)=N1 A38214 [0,0,0,0,0,1|3,0,0]=4 469 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [0,0,0,0,0,1|3,0,0]=4 470 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [0,0,0,0,0,1|3,0,0]=4 471 B9R1.2 NCC1=CC=NC(Cl)=N1 C29619 [0,0,0,0,0,1|3,0,0]=4 472 B9R1.2 NCC1=CN=CC(Cl)=N1 C18971 [0,0,0,0,0,1|3,0,0]=4 473 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [0,0,0,0,0,1|3,0,0]=4 474 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [0,0,0,0,0,1|3,0,0]=4 475 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [0,0,0,0,0,1|3,0,0]=4 476 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [0,0,0,0,0,1|3,0,0]=4 477 B9R1.2 OCC1=CN=CC(Br)=N1 B40916 [0,0,0,0,0,1|3,0,0]=4 478 B9R1.2 OCC1=CN=CC(Cl)=N1 C14609 [0,0,0,0,0,1|3,0,0]=4 479 B6R0.1 CC=CC(=O)CC H41457 [1,0,1,0,0,0|1,0,0]=3 480 B6R0.4 COC=CC(C)=O M41222 [1,0,1,0,0,0|2,0,0]=4 481 B6R0.6 C\C=C\C=C\CO H69109 [1,0,1,0,0,0|2,0,0]=4 482 B6R1.2 BrC1=CC=CS1 B69329 [2,0,0,0,0,0|2,0,0]=4 483 B6R1.2 BrC1=CNC=N1 B2477 [2,0,0,0,0,0|2,0,0]=4 484 B6R1.2 BrC1=CSC=C1 B39148 [2,0,0,0,0,0|2,0,0]=4 485 B6R1.2 BrC1=CSC=N1 B2171 [2,0,0,0,0,0|1,0,0]=3 486 B6R1.2 BrC1=NC=CN1 B2807 [2,0,0,0,0,0|2,0,0]=4 487 B6R1.2 BrC1=NC=CS1 B2607 [2,0,0,0,0,0|1,0,0]=3 488 B6R1.2 BrC1=NC=NS1 B38787 [2,0,0,0,0,0|2,0,0]=4 489 B6R1.2 BrC1=NN=CS1 B11248 [2,0,0,0,0,0|2,0,0]=4 490 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|1,0,1]=4 491 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|1,0,0]=3 492 B6R1.2 CC1=CN=CS1 M40166 [2,0,0,0,0,0|2,0,0]=4 493 B6R1.2 CC1=CNC=C1 M14657 [2,0,0,0,0,0|2,0,0]=4 494 B6R1.2 CC1=COC=N1 M13405 [2,0,0,0,0,0|0,1,0]=3 495 B6R1.2 CC1=CSC=N1 M24933 [2,0,0,0,0,0|0,0,0]=2 496 B6R1.2 CC1=NC=CS1 M40165 [2,0,0,0,0,0|0,0,0]=2 497 B6R1.2 CC1=NN=CN1 M15832 [2,0,0,0,0,0|2,0,0]=4 498 B6R1.2 CC1=NN=CO1 M32022 [2,0,0,0,0,0|1,1,0]=4 499 B6R1.2 CC1=NNC=C1 M36663 [2,0,0,0,0,0|2,0,0]=4 500 B6R1.2 CC1=NOC=C1 M40157 [2,0,0,0,0,0|2,0,0]=4 501 B6R1.2 CC1=NON=C1 M62158 [2,0,0,0,0,0|2,0,0]=4 502 B6R1.2 CN1C=CC=N1 M12066 [2,0,0,0,0,0|2,0,0]=4 503 B6R1.2 CN1C=NC=N1 M64922 [2,0,0,0,0,0|2,0,0]=4 504 B6R1.2 ClC1=CSC=C1 C40018 [2,0,0,0,0,0|2,0,0]=4 505 B6R1.2 ClC1=CSC=N1 C9773 [2,0,0,0,0,0|1,0,0]=3 506 B6R1.2 ClC1=NC=CN1 C38255 [2,0,0,0,0,0|2,0,0]=4 507 B6R1.2 ClC1=NC=CS1 C2694 [2,0,0,0,0,0|1,0,0]=3 508 B6R1.2 ClC1=NC=NS1 C39789 [2,0,0,0,0,0|2,0,0]=4 509 B6R1.2 IC1=CC=CS1 K39149 [2,0,0,0,0,0|2,0,0]=4 510 B6R1.2 IC1=CSC=C1 K40019 [2,0,0,0,0,0|2,0,0]=4 511 B6R1.2 IC1=NC=CO1 I11270 [2,0,0,0,0,0|1,1,0]=4 512 B6R1.2 NC1=CNC=N1 I37475 [2,0,0,0,0,0|2,0,0]=4 513 B6R1.2 NC1=COC=N1 X36633 [2,0,0,0,0,0|1,1,0]=4 514 B6R1.2 NC1=CSC=C1 A40167 [2,0,0,0,0,0|2,0,0]=4 515 B6R1.2 NC1=CSC=C1 T10330 [2,0,0,0,0,0|2,0,0]=4 516 B6R1.2 NC1=CSC=C1 T64858 [2,0,0,0,0,0|2,0,0]=4 517 B6R1.2 NC1=CSC=N1 T39908 [2,0,0,0,0,0|1,0,0]=3 518 B6R1.2 NC1=NC=CN1 A28762 [2,0,0,0,0,0|2,0,0]=4 519 B6R1.2 NC1=NC=CN1 A39803 [2,0,0,0,0,0|2,0,0]=4 520 B6R1.2 NC1=NC=CO1 O5740 [2,0,0,0,0,0|1,1,0]=4 521 B6R1.2 NC1=NC=CS1 T39140 [2,0,0,0,0,0|1,0,0]=3 522 B6R1.2 NC1=NC=NS1 T39794 [2,0,0,0,0,0|2,0,0]=4 523 B6R1.2 NC1=NC=NS1 T39799 [2,0,0,0,0,0|2,0,0]=4 524 B6R1.2 NC1=NC=NS1 T61256 [2,0,0,0,0,0|2,0,0]=4 525 B6R1.2 NC1=NN=CS1 T69243 [2,0,0,0,0,0|2,0,0]=4 526 B6R1.2 OC1=NC=CS1 H39829 [2,0,0,0,0,0|1,0,0]=3 527 B8R1.7 CC(=O)C1=CC=CS1 A69304 [1,1,0,0,0,0|1,0,1]=4 528 B8R1.7 CC(=O)C1=NC=CN1 K67604 [1,1,0,0,0,0|1,0,1]=4 529 B8R1.7 CC(=O)C1=NC=CS1 A22587 [1,1,0,0,0,0|0,0,1]=3 530 B8R1.7 CC(C)C1=CC=CO1 P43710 [1,1,0,0,0,0|1,1,0]=4 531 B8R1.7 CC(C)C1=NC=CN1 P67407 [1,1,0,0,0,0|1,0,0]=3 532 B8R1.7 CC(C)C1=NNC=C1 P9834 [1,1,0,0,0,0|2,0,0]=4 533 B8R1.7 CC(C)N1C=CC=N1 P41426 [1,1,0,0,0,0|2,0,0]=4 534 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [1,1,0,0,0,0|1,0,0]=3 535 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [1,1,0,0,0,0|1,1,0]=4 536 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [1,1,0,0,0,0|1,0,0]=3 537 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [1,1,0,0,0,0|2,0,0]=4 538 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [1,1,0,0,0,0|0,0,0]=2 539 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [1,1,0,0,0,0|0,0,0]=2 540 B8R1.7 N=C(N)C1=NC=CS1 T8198 [1,1,0,0,0,0|1,0,1]=4 541 B8R1.7 NC(=O)C1=NC=CS1 T61005 [1,1,0,0,0,0|1,0,1]=4 542 B8R1.7 O=C(O)C1=NC=CS1 T9224 [1,1,0,0,0,0|1,0,1]=4 543 B8R1.8 BrCCN1N=CC=N1 B37102 [1,1,0,0,0,0|2,0,0]=4 544 B8R1.8 CCCC1=CC=CS1 P43744 [1,1,0,0,0,0|1,0,0]=3 545 B8R1.8 CCCC1=NC=CN1 P68616 [1,1,0,0,0,0|1,0,0]=3 546 B8R1.8 CCCC1=NC=CS1 P43394 [1,1,0,0,0,0|0,0,0]=2 547 B8R1.8 CCNC1=NC=CS1 E41366 [1,1,0,0,0,0|0,0,0]=2 548 B8R1.8 CCOC1=NC=CS1 E41172 [1,1,0,0,0,0|0,0,0]=2 549 B8R1.8 CNCC1=CC=CS1 M43398 [1,1,0,0,0,0|1,0,0]=3 550 B8R1.8 N#CCC1=CC=CS1 T39260 [1,1,0,0,0,0|1,0,1]=4 551 B8R1.8 N#CCC1=NC=CS1 T10963 [1,1,0,0,0,0|0,0,1]=3 552 B8R1.8 NCCC1=CC=CS1 T12818 [1,1,0,0,0,0|1,0,0]=3 553 B8R1.8 NCCC1=CN=CS1 T41396 [1,1,0,0,0,0|2,0,0]=4 554 B8R1.8 NCCC1=NC=CN1 K41400 [1,1,0,0,0,0|1,0,0]=3 555 B8R1.8 NCCC1=NN=CS1 T11221 [1,1,0,0,0,0|1,0,0]=3 556 B8R1.8 NCCC1=NN=CS1 T13923 [1,1,0,0,0,0|1,0,0]=3 557 B8R1.8 NNCC1=CC=CS1 H13973 [1,1,0,0,0,0|2,0,0]=4 558 B8R1.8 OCCC1=CC=CS1 T12817 [1,1,0,0,0,0|1,0,0]=3 559 B8R1.8 OCCC1=CNC=N1 I10449 [1,1,0,0,0,0|2,0,0]=4 560 B8R1.8 OCCN1C=CC=N1 P41188 [1,1,0,0,0,0|2,0,0]=4 561 B8R1.8 OCCN1N=CC=N1 T63142 [1,1,0,0,0,0|2,0,0]=4 562 B8R1.11 CCC1=NC=CN1C E46632 [1,1,0,0,0,0|1,0,0]=3 563 B8R1.11 CCN1N=CC=C1N E10472 [1,1,0,0,0,0|2,0,0]=4 564 B8R1.11 CN1C=CN=C1CCl C41129 [1,1,0,0,0,0|2,0,0]=4 565 B8R1.11 CN1C=CN=C1CCl C41132 [1,1,0,0,0,0|2,0,0]=4 566 B8R1.11 CN1C=CN=C1CN A13925 [1,1,0,0,0,0|2,0,0]=4 567 B8R1.11 CN1C=CN=C1CO M41198 [1,1,0,0,0,0|2,0,0]=4 568 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [1,1,0,0,0,0|2,0,0]=4 569 B8R1.11 OCC1=C(Br)C=CS1 B14083 [1,1,0,0,0,0|2,0,0]=4 570 B8R1.11 OCC1=C(Cl)C=CS1 C11289 [1,1,0,0,0,0|2,0,0]=4 571 B8R1.18 CC1=C(Br)N=C(Br)S1 D37493 [1,1,0,0,0,0|2,0,0]=4 572 B8R1.18 CC1=C(Br)N=C(N)S1 B67359 [1,1,0,0,0,0|2,0,0]=4 573 B8R1.18 CC1=C(Br)NC(Br)=N1 D40071 [1,1,0,0,0,0|2,0,0]=4 574 B8R1.18 CC1=C(Br)SC(Br)=C1 D40697 [1,1,0,0,0,0|2,0,0]=4 575 B8R1.18 CC1=C(Br)SC(Br)=N1 D3449 [1,1,0,0,0,0|1,0,0]=3 576 B8R1.18 CC1=C(Br)SC(N)=N1 A2767 [1,1,0,0,0,0|1,0,0]=3 577 B8R1.18 CC1=C(Br)SC(N)=N1 A3604 [1,1,0,0,0,0|1,0,0]=3 578 B8R1.18 CC1=C(C)NC(N)=N1 D41246 [1,1,0,0,0,0|2,0,0]=4 579 B8R1.18 CC1=C(C)SC(Br)=N1 B37797 [1,1,0,0,0,0|1,0,0]=3 580 B8R1.18 CC1=C(C)SC(N)=N1 D41205 [1,1,0,0,0,0|1,0,0]=3 581 B8R1.18 CC1=C(C)SC(N)=N1 D41367 [1,1,0,0,0,0|1,0,0]=3 582 B8R1.18 CC1=C(Cl)SC(Cl)=C1 D40698 [1,1,0,0,0,0|2,0,0]=4 583 B8R1.18 CC1=C(Cl)SC(N)=N1 A2766 [1,1,0,0,0,0|1,0,0]=3 584 B8R1.18 CC1=CC(C)=NN1C T41425 [1,1,0,0,0,0|2,0,0]=4 585 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [1,1,0,0,0,0|1,0,0]=3 586 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [1,1,0,0,0,0|0,1,0]=3 587 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [1,1,0,0,0,0|2,0,0]=4 588 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [1,1,0,0,0,0|2,0,0]=4 589 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [1,1,0,0,0,0|2,0,0]=4 590 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [1,1,0,0,0,0|2,0,0]=4 591 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [1,1,0,0,0,0|2,0,0]=4 592 B8R1.18 CC1=NN(C)C=C1Br B12747 [1,1,0,0,0,0|2,0,0]=4 593 B8R1.18 CC1=NN(C)C=C1I K41135 [1,1,0,0,0,0|2,0,0]=4 594 B8R1.18 CC1=NN(C)C=C1N A10473 [1,1,0,0,0,0|2,0,0]=4 595 B8R1.18 CC1=NN(C)C=C1N D41244 [1,1,0,0,0,0|2,0,0]=4 596 B8R1.18 CC1=NN(C)N=C1Br B39014 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [0,1,0,0,0,1|2,0,0]=4 600 B10R1.1 CC1=CN=C(CC#N)C=C1 M48792 [0,1,0,0,0,1|1,0,1]=4 601 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [0,1,0,0,0,1|1,0,0]=3 602 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [0,1,0,0,0,1|2,0,0]=4 604 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [0,1,0,0,0,1|2,0,0]=4 605 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.1 CCOC1=NC=C(Br)C=N1 B2619 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.1 CCOC1=NC=C(N)C=N1 E43346 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.1 CCOC1=NC=C(N)N=C1 E9737 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.1 CCOC1=NN=C(Cl)C=C1 C43068 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.1 CCOC1=NN=C(N)C=C1 E43349 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.1 COCC1=NC=C(Br)C=N1 B20026 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [0,1,0,0,0,1|2,0,0]=4 616 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.3 CCC1=CN=C(C=O)C=C1 E49257 [0,1,0,0,0,1|1,0,1]=4 620 B10R1.3 COC1=CN=C(CCl)C=C1 C15224 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.3 COC1=CN=C(CCl)N=C1 C19967 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.3 COC1=CN=C(CO)C=C1 H15223 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.3 COC1=CN=C(OC)C=C1 D46391 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.3 COC1=NC=C(CBr)C=C1 B37014 [0,1,0,0,0,1|2,0,0]=4 625 B10R1.3 COC1=NC=C(CCl)C=C1 C46199 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.3 COC1=NC=C(CN)C=C1 A10463 [0,1,0,0,0,1|2,0,0]=4 627 B10R1.3 COC1=NC=C(CN)C=C1 M29962 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.3 COC1=NC=C(CN)C=C1 M46593 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.3 COC1=NC=C(CN)C=N1 M26757 [0,1,0,0,0,1|2,0,0]=4 630 B10R1.3 COC1=NC=C(CO)C=C1 M0584 [0,1,0,0,0,1|2,0,0]=4 631 B10R1.3 COC1=NC=C(CO)C=N1 M16831 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.3 COC1=NC=C(CO)N=C1 M61572 [0,1,0,0,0,1|2,0,0]=4 633 B10R1.3 CSC1=NC=C(CO)C=N1 M36801 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [0,1,0,0,0,1|1,0,1]=4 635 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [0,1,0,0,0,1|1,0,1]=4 636 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.13 CC(C)C1=NC=C(Br)C=N1 B13199 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [0,1,0,0,0,1|2,0,0]=4 644 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [0,1,0,0,0,1|1,0,0]=3 646 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [0,1,0,0,0,1|1,0,0]=3 647 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 F14039 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 F29648 [0,1,0,0,0,1|2,0,0]=4 655 B10R1.25 CC1=CC(N)=C(CO)C=N1 A43644 [0,1,0,0,0,1|2,0,0]=4 656 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 B45763 [0,1,0,0,0,1|2,0,0]=4 657 B10R1.25 CC1=CN=C(CCl)C(C)=C1 C38639 [0,1,0,0,0,1|2,0,0]=4 658 B10R1.25 CC1=CN=C(CO)C(C)=C1 D46914 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.25 CC1=NC(C)=C(CO)C=C1 D64003 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.25 CCC1=NC=C(Br)C=C1N A11260 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.25 CCC1=NC=C(Cl)N=C1Cl D42741 [0,1,0,0,0,1|2,0,0]=4 662 B10R1.25 COC1=C(Br)C=C(C)C=N1 B46168 [0,1,0,0,0,1|2,0,0]=4 663 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C46202 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.25 COC1=CC=C(C)N=C1Br B3731 [0,1,0,0,0,1|2,0,0]=4 665 B10R1.25 COC1=CC=C(C)N=C1Cl C46200 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.176 CC1=C(F)C=C(CO)C=N1 F46223 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.176 CCC1=NC(C)=C(C)N=C1 E46963 [0,1,0,0,0,1|1,0,0]=3 669 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 B45765 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.176 COC1=CC(Br)=C(C)C=N1 B37321 [0,1,0,0,0,1|2,0,0]=4 671 B10R1.176 COC1=CC(Br)=C(C)N=C1 B13456 [0,1,0,0,0,1|2,0,0]=4 672 B10R1.176 COC1=NC=C(C)C(N)=C1 M43637 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.176 CSC1=NC=C(C)C(=O)N1 M43258 [0,1,0,0,0,1|2,0,0]=4 674 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 C43008 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.8 CC1=CC(Br)=CC(CN)=N1 B38998 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.8 CC1=CC(Br)=CC(CO)=N1 B46176 [0,1,0,0,0,1|2,0,0]=4 677 B10R1.8 CC1=CC(C)=NC(CCl)=N1 C25169 [0,1,0,0,0,1|2,0,0]=4 678 B10R1.8 CC1=CC(C)=NC(CO)=N1 D24164 [0,1,0,0,0,1|2,0,0]=4 679 B10R1.8 CCC1=CC(C)=CC(O)=C1 E50268 [0,1,0,0,0,1|2,0,0]=4 680 B10R1.8 CCC1=CC(Cl)=NC(N)=N1 C43270 [0,1,0,0,0,1|2,0,0]=4 681 B10R1.8 CCC1=CC(O)=NC(C)=N1 E43643 [0,1,0,0,0,1|1,0,0]=3 682 B10R1.8 CCC1=CC(O)=NC(N)=N1 A43350 [0,1,0,0,0,1|2,0,0]=4 683 B10R1.8 CCC1=NC(Cl)=CC(Cl)=N1 D37576 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.8 CCC1=NC(N)=NC(N)=C1 E41444 [0,1,0,0,0,1|2,0,0]=4 685 B10R1.8 CCC1=NC(O)=CC(O)=N1 E43217 [0,1,0,0,0,1|2,0,0]=4 686 B10R1.8 CNC1=CC(Cl)=NC(C)=N1 C43280 [0,1,0,0,0,1|2,0,0]=4 687 B10R1.8 COC1=CC(Cl)=NC(C)=N1 C32260 [0,1,0,0,0,1|2,0,0]=4 688 B10R1.8 COC1=NC(C)=CC(Br)=C1 B46171 [0,1,0,0,0,1|2,0,0]=4 689 B10R1.8 COC1=NC(C)=CC(C)=N1 M43634 [0,1,0,0,0,1|2,0,0]=4 690 B10R1.8 COC1=NC(C)=CC(Cl)=C1 C37303 [0,1,0,0,0,1|2,0,0]=4 691 B10R1.8 COC1=NC(C)=CC(N)=C1 M43639 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.8 COC1=NC(C)=NC(C)=C1 M43636 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.8 COC1=NC(C)=NC(N)=C1 M61760 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.8 COC1=NC(N)=CC(C)=N1 M43355 [0,1,0,0,0,1|2,0,0]=4 695 B10R1.8 CSC1=CC(Cl)=NC(C)=N1 C8046 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.8 CSC1=NC(C)=CC(Cl)=N1 C6191 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.8 CSC1=NC(N)=CC(C)=N1 M43373 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.10 CCNC1=CC=NC(Cl)=N1 C43269 [0,1,0,0,0,1|2,0,0]=4 700 B10R1.10 CCOC1=NC(C)=CN=C1 E43628 [0,1,0,0,0,1|1,0,0]=3 701 B10R1.10 CCOC1=NC=NC(C)=C1 E43631 [0,1,0,0,0,1|2,0,0]=4 702 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.10 COCC1=CC=NC(Cl)=N1 C43072 [0,1,0,0,0,1|2,0,0]=4 704 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.30 CC1=CC=C(N)C(CO)=N1 A13503 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C65989 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.30 CC1=NC(CO)=C(Br)C=C1 B63914 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.30 CC1=NC(CO)=C(O)C=C1 H46408 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.30 CCC1=C(F)C=NC(Cl)=N1 C61749 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.30 COC1=C(Br)C=CC(C)=N1 B46169 [0,1,0,0,0,1|2,0,0]=4 711 B10R1.30 COC1=C(F)C=CC(C)=N1 F46220 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.30 COC1=NC(C)=CC=C1N A67537 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.30 COC1=NC(C)=CN=C1N M26266 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.30 COC1=NC(C)=NC=C1N M43356 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,1,0,0,0,1|1,0,1]=4 716 B10R1.113 CC(C)C1=CC=CC(Br)=N1 B46729 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C37539 [0,1,0,0,0,1|2,0,0]=4 718 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [0,1,0,0,0,1|2,0,0]=4 719 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [0,1,0,0,0,1|2,0,0]=4 721 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=N1 B46291 [0,1,0,0,0,1|2,0,0]=4 722 B10R1.113 C[C@@H](N)C1=CC=CC(F)=N1 F46611 [0,1,0,0,0,1|2,0,0]=4 723 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 C46299 [0,1,0,0,0,1|2,0,0]=4 724 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 F46568 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.113 C[C@H](O)C1=CC=CC(Br)=N1 B37443 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.172 CCC1=CC=CC(C#N)=N1 E13406 [0,1,0,0,0,1|1,0,1]=4 727 B10R1.172 CCC1=CC=CC(C=O)=N1 E49258 [0,1,0,0,0,1|1,0,1]=4 728 B10R1.172 CCC1=CC=CC(CC)=N1 D50308 [0,1,0,0,0,1|1,0,0]=3 729 B10R1.172 CCC1=CC=CC(CO)=N1 E46907 [0,1,0,0,0,1|1,0,0]=3 730 B10R1.172 CCC1=CC=CC(NC)=N1 E46969 [0,1,0,0,0,1|1,0,0]=3 731 B10R1.172 CNC1=CC=CC(OC)=N1 M43638 [0,1,0,0,0,1|2,0,0]=4 732 B10R1.172 CNC1=NC=CC(CO)=N1 M63073 [0,1,0,0,0,1|2,0,0]=4 733 B10R1.172 COC1=CC=CC(CBr)=N1 B46166 [0,1,0,0,0,1|2,0,0]=4 734 B10R1.172 COC1=CC=CC(CCl)=N1 C46206 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.172 COC1=CC=CC(OC)=N1 D39418 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.172 COC1=CC=NC(OC)=N1 D68887 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.172 COC1=CN=CC(OC)=N1 D4873 [0,1,0,0,0,1|2,0,0]=4 738 B10R1.172 COC1=NC(CN)=CC=C1 M46592 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.172 COC1=NC(CN)=CC=N1 M43577 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.172 COC1=NC(CN)=NC=C1 M27520 [0,1,0,0,0,1|2,0,0]=4 741 B10R1.172 COC1=NC(CO)=CC=C1 M46402 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.172 COC1=NC(CO)=CC=N1 H11374 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.172 CSC1=CC=NC(SC)=N1 B43264 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.172 CSC1=NC(CN)=CC=N1 M43374 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.172 CSC1=NC(CO)=CC=N1 M32432 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.172 NCC1=CC=CC(CO)=N1 A46595 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 M49548 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.14 COC(=O)C1=NC(Br)=CS1 M8686 [0,2,0,0,0,0|1,0,1]=4 749 B10R1.14 COC(=O)C1=NC(C)=CS1 M43155 [0,2,0,0,0,0|0,0,1]=3 750 B10R1.16 O=CNCC1=NC(Br)=CS1 B67283 [0,2,0,0,0,0|1,0,1]=4 751 B10R1.54 CC(=O)NC1=NC(C)=CS1 A68861 [0,2,0,0,0,0|0,0,1]=3 752 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 C12127 [0,2,0,0,0,0|1,0,1]=4 753 B10R1.130 CC1=CC(C)=NN1CCO D63007 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.31 CC(C)C1=NC(C=O)=CS1 F2077 [0,2,0,0,0,0|0,0,1]=3 755 B10R1.31 CC(C)C1=NC(CCl)=CS1 C2078 [0,2,0,0,0,0|0,0,0]=2 756 B10R1.31 CC(C)C1=NC(CN)=CS1 A2450 [0,2,0,0,0,0|0,0,0]=2 757 B10R1.31 CC(C)C1=NC(CO)=CS1 H2956 [0,2,0,0,0,0|0,0,0]=2 758 B10R1.31 CCC1=CSC(C(=O)O)=N1 E43152 [0,2,0,0,0,0|1,0,1]=4 759 B10R1.31 CCC1=NC(C(=O)O)=CS1 E38343 [0,2,0,0,0,0|0,0,1]=3 760 B10R1.35 CSC1=NC(N)=C(C#N)S1 A62622 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.59 CC1=NN(C(C)C)C(N)=C1 A43836 [0,2,0,0,0,0|2,0,0]=4 762 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 B45953 [0,2,0,0,0,0|1,0,1]=4 763 B10R1.55 CC(C)(O)C1=NC(Br)=CS1 B2064 [0,2,0,0,0,0|1,0,0]=3 764 B10R1.55 C[Si](C)(C)C1=NC(Br)=CS1 B3062 [0,2,0,0,0,0|1,1,0]=4 765 B8R1.4 CC1=CC=CC(S)=N1 M38177 [0,0,1,1,0,0|0,0,2]=4 766 B10R2.2 CN1C=C2CNCC2=N1 M60994 [0,1,0,1,0,0|2,0,0]=4