0 B7R1.2 BrC1=CC(Br)=NN1 D61879 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 BrC1=CN=C(Br)S1 D2697 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.2 BrC1=CSC(Br)=N1 D2472 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.2 BrC1=NN=C(Br)S1 D39791 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 BrC1=NNC(Br)=N1 D38529 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 CC1=CC(=O)NN1 M12010 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 CC1=CC(=O)NO1 M68379 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=CC(Br)=NN1 B9765 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 CC1=CC(Br)=NO1 B2183 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 CC1=CC(C)=NO1 D39182 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.2 CC1=CC(Cl)=NN1 C7548 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.2 CC1=CC(I)=NN1 I26594 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.2 CC1=CC(N)=NN1 A11614 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.2 CC1=CC(N)=NO1 A12655 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.2 CC1=CC=C(Br)O1 B41015 [0,0,0,0,0,0|2,1,0]=3 18 B7R1.2 CC1=CC=C(Br)S1 B40865 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.2 CC1=CC=C(C)S1 D43320 [0,0,0,0,0,0|1,0,0]=1 20 B7R1.2 CC1=CC=C(I)S1 K40868 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.2 CC1=CN(C)N=C1 D69464 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.2 CC1=CN(C)N=N1 D40221 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.2 CC1=CN=C(Br)S1 B40104 [0,0,0,0,0,0|1,0,0]=1 24 B7R1.2 CC1=CN=C(C)S1 D38993 [0,0,0,0,0,0|0,0,0]=0 25 B7R1.2 CC1=CN=C(Cl)S1 C1978 [0,0,0,0,0,0|1,0,0]=1 26 B7R1.2 CC1=CN=C(N)S1 A69715 [0,0,0,0,0,0|1,0,0]=1 27 B7R1.2 CC1=CN=C(N)S1 M69725 [0,0,0,0,0,0|1,0,0]=1 28 B7R1.2 CC1=CNC(Br)=N1 B40115 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.2 CC1=CNC(C)=N1 D41187 [0,0,0,0,0,0|1,0,1]=2 30 B7R1.2 CC1=CNC(I)=N1 K40123 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.2 CC1=COC(N)=N1 A2053 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.2 CC1=CSC(Br)=N1 B2087 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.2 CC1=CSC(C)=N1 D41174 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.2 CC1=CSC(N)=C1 A0597 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.2 CC1=NC(Br)=CN1 B2121 [0,0,0,0,0,0|2,0,1]=3 36 B7R1.2 CC1=NC(Br)=CS1 B2069 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.2 CC1=NC(N)=NO1 M39856 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.2 CC1=NC=C(Br)S1 B5222 [0,0,0,0,0,0|1,0,0]=1 39 B7R1.2 CC1=NC=C(I)N1 K40124 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.2 CC1=NC=C(N)S1 M40189 [0,0,0,0,0,0|1,0,0]=1 41 B7R1.2 CC1=NN(C)C=C1 D4115 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.2 CC1=NN=C(Br)O1 B62443 [0,0,0,0,0,0|2,1,0]=3 43 B7R1.2 CC1=NN=C(Br)S1 B39816 [0,0,0,0,0,0|2,0,0]=2 44 B7R1.2 CC1=NN=C(C)N1 D0366 [0,0,0,0,0,0|2,0,0]=2 45 B7R1.2 CC1=NN=C(C)O1 D13454 [0,0,0,0,0,0|1,1,0]=2 46 B7R1.2 CC1=NN=C(N)O1 M5216 [0,0,0,0,0,0|2,1,0]=3 47 B7R1.2 CC1=NN=C(N)S1 A39857 [0,0,0,0,0,0|2,0,0]=2 48 B7R1.2 CC1=NNC(=O)C1 M68628 [0,0,0,0,0,0|3,0,0]=3 49 B7R1.2 CC1=NNC(=O)O1 M39837 [0,0,0,0,0,0|2,1,0]=3 50 B7R1.2 CC1=NNC(=S)O1 M62067 [0,0,0,0,0,0|2,1,0]=3 51 B7R1.2 CC1=NNC(=S)S1 M68580 [0,0,0,0,0,0|2,0,0]=2 52 B7R1.2 CC1=NNC(Br)=C1 B40114 [0,0,0,0,0,0|3,0,0]=3 53 B7R1.2 CC1=NNC(I)=C1 K40122 [0,0,0,0,0,0|3,0,0]=3 54 B7R1.2 CC1=NNC(N)=C1 M40220 [0,0,0,0,0,0|3,0,0]=3 55 B7R1.2 CC1=NNC(O)=C1 M0907 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.2 CC1=NOC(N)=C1 A37936 [0,0,0,0,0,0|3,0,0]=3 57 B7R1.2 CC1=NSC(Br)=N1 B39817 [0,0,0,0,0,0|3,0,0]=3 58 B7R1.2 CC1=NSC(Cl)=N1 C39820 [0,0,0,0,0,0|3,0,0]=3 59 B7R1.2 CC1=NSC(I)=C1 I6114 [0,0,0,0,0,0|3,0,0]=3 60 B7R1.2 CC1=NSC(N)=C1 M65783 [0,0,0,0,0,0|3,0,0]=3 61 B7R1.2 CC1=NSC(N)=N1 A39858 [0,0,0,0,0,0|3,0,0]=3 62 B7R1.2 CN1C=C(Br)C=N1 B7572 [0,0,0,0,0,0|3,0,0]=3 63 B7R1.2 CN1C=C(Br)N=N1 B18663 [0,0,0,0,0,0|4,0,0]=4 64 B7R1.2 CN1C=C(Cl)C=N1 C40119 [0,0,0,0,0,0|3,0,0]=3 65 B7R1.2 CN1C=C(I)C=N1 I23483 [0,0,0,0,0,0|3,0,0]=3 66 B7R1.2 CN1C=C(N)C=N1 A10471 [0,0,0,0,0,0|3,0,0]=3 67 B7R1.2 CN1C=C(N)C=N1 M24961 [0,0,0,0,0,0|3,0,0]=3 68 B7R1.2 CN1C=C(N)C=N1 M40360 [0,0,0,0,0,0|3,0,0]=3 69 B7R1.2 CN1C=C(O)C=N1 M38839 [0,0,0,0,0,0|3,0,0]=3 70 B7R1.2 CN1C=CC(=O)N1 M40182 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.2 CN1C=CC(Br)=N1 B5930 [0,0,0,0,0,0|4,0,0]=4 72 B7R1.2 CN1C=CC(Cl)=N1 C64917 [0,0,0,0,0,0|4,0,0]=4 73 B7R1.2 CN1C=CC(I)=N1 M13226 [0,0,0,0,0,0|4,0,0]=4 74 B7R1.2 CN1C=CC(N)=N1 A3263 [0,0,0,0,0,0|4,0,0]=4 75 B7R1.2 CN1C=C[N+](C)=C1 D23670 [0,0,0,0,0,0|4,0,0]=4 76 B7R1.2 CN1C=NC(Br)=C1 B5167 [0,0,0,0,0,0|3,0,0]=3 77 B7R1.2 CN1C=NC(Br)=N1 B36665 [0,0,0,0,0,0|3,0,0]=3 78 B7R1.2 CN1C=NC(I)=C1 I2146 [0,0,0,0,0,0|3,0,0]=3 79 B7R1.2 CN1C=NC(N)=C1 M38763 [0,0,0,0,0,0|3,0,0]=3 80 B7R1.2 CN1C=NC(N)=N1 M38833 [0,0,0,0,0,0|3,0,0]=3 81 B7R1.2 CN1N=CC(Br)=N1 B39841 [0,0,0,0,0,0|3,0,0]=3 82 B7R1.2 CN1N=NC(N)=N1 A39778 [0,0,0,0,0,0|4,0,0]=4 83 B7R1.2 C[N+]1=CN(N)C=N1 A39801 [0,0,0,0,0,0|4,0,0]=4 84 B7R1.2 C[N+]1=CN(N)C=N1 A39940 [0,0,0,0,0,0|4,0,0]=4 85 B7R1.2 ClC1=CC=C(Br)S1 B39971 [0,0,0,0,0,0|3,0,0]=3 86 B7R1.2 ClC1=CC=C(I)S1 C39974 [0,0,0,0,0,0|3,0,0]=3 87 B7R1.2 ClC1=CN=C(Br)S1 B15574 [0,0,0,0,0,0|2,0,0]=2 88 B7R1.2 ClC1=CN=C(Cl)S1 D15573 [0,0,0,0,0,0|2,0,0]=2 89 B7R1.2 ClC1=CSC(Br)=N1 B37462 [0,0,0,0,0,0|4,0,0]=4 90 B7R1.2 ClC1=CSC(Cl)=N1 D23613 [0,0,0,0,0,0|4,0,0]=4 91 B7R1.2 ClC1=NC(Br)=CS1 B5835 [0,0,0,0,0,0|4,0,0]=4 92 B7R1.2 ClC1=NC=C(Br)S1 B1397 [0,0,0,0,0,0|2,0,0]=2 93 B7R1.2 FC1=CN=C(Br)S1 B15575 [0,0,0,0,0,0|2,0,0]=2 94 B7R1.2 IC1=COC(I)=N1 D6541 [0,0,0,0,0,0|4,0,0]=4 95 B7R1.2 NC1=CC(N)=NN1 P39867 [0,0,0,0,0,0|4,0,0]=4 96 B7R1.2 NC1=CSC(Cl)=C1 A14220 [0,0,0,0,0,0|4,0,0]=4 97 B7R1.2 NC1=CSC(Cl)=C1 A7362 [0,0,0,0,0,0|4,0,0]=4 98 B7R1.2 NC1=CSC(N)=N1 T39915 [0,0,0,0,0,0|4,0,0]=4 99 B7R1.2 NC1=NC(Br)=CS1 A23949 [0,0,0,0,0,0|4,0,0]=4 100 B7R1.2 NC1=NC(Br)=NS1 B69719 [0,0,0,0,0,0|4,0,0]=4 101 B7R1.2 NC1=NC(O)=CS1 A39839 [0,0,0,0,0,0|4,0,0]=4 102 B7R1.2 NC1=NC=C(Br)S1 B22934 [0,0,0,0,0,0|2,0,0]=2 103 B7R1.2 NC1=NC=C(Br)S1 D2473 [0,0,0,0,0,0|2,0,0]=2 104 B7R1.2 NC1=NC=C(Cl)S1 C12061 [0,0,0,0,0,0|2,0,0]=2 105 B7R1.2 NC1=NC=C(F)S1 F24712 [0,0,0,0,0,0|2,0,0]=2 106 B7R1.2 NC1=NC=C(F)S1 F8188 [0,0,0,0,0,0|2,0,0]=2 107 B7R1.2 NC1=NCC(=O)S1 A64749 [0,0,0,0,0,0|2,0,1]=3 108 B7R1.2 NC1=NN=C(Br)S1 B38550 [0,0,0,0,0,0|3,0,0]=3 109 B7R1.2 NC1=NN=C(Cl)S1 C39762 [0,0,0,0,0,0|3,0,0]=3 110 B7R1.2 NC1=NN=C(N)S1 T39770 [0,0,0,0,0,0|3,0,0]=3 111 B7R1.2 NC1=NNC(=O)C1 A39854 [0,0,0,0,0,0|4,0,0]=4 112 B7R1.2 NC1=NNC(=S)N1 K64528 [0,0,0,0,0,0|4,0,0]=4 113 B7R1.2 NC1=NNC(Br)=C1 B9821 [0,0,0,0,0,0|4,0,0]=4 114 B7R1.2 NC1=NNC(Br)=N1 B39766 [0,0,0,0,0,0|4,0,0]=4 115 B7R1.2 NC1=NNC(Cl)=C1 C10741 [0,0,0,0,0,0|4,0,0]=4 116 B7R1.2 NC1=NNC(F)=C1 F11040 [0,0,0,0,0,0|4,0,0]=4 117 B7R1.2 NC1=NNC(O)=C1 A11039 [0,0,0,0,0,0|4,0,0]=4 118 B7R1.2 O=C1CC(O)=CO1 H1405 [0,0,0,0,0,0|4,0,0]=4 119 B7R1.2 OC1=CC=C(Br)S1 B40069 [0,0,0,0,0,0|3,0,0]=3 120 B7R1.2 OC1=NC(Br)=CS1 B39814 [0,0,0,0,0,0|4,0,0]=4 121 B7R1.2 OC1=NSC(Cl)=C1 C37755 [0,0,0,0,0,0|4,0,0]=4 122 B6R1.2 BrC1=CC=CS1 B69329 [1,0,0,0,0,0|2,0,0]=3 123 B6R1.2 BrC1=CC=NN1 B10788 [1,0,0,0,0,0|3,0,0]=4 124 B6R1.2 BrC1=CC=NN1 B37723 [1,0,0,0,0,0|3,0,0]=4 125 B6R1.2 BrC1=CN=CS1 B2349 [1,0,0,0,0,0|1,0,0]=2 126 B6R1.2 BrC1=CNC=N1 B2477 [1,0,0,0,0,0|2,0,1]=4 127 B6R1.2 BrC1=CNN=C1 B22272 [1,0,0,0,0,0|3,0,0]=4 128 B6R1.2 BrC1=COC=C1 B40068 [1,0,0,0,0,0|3,0,0]=4 129 B6R1.2 BrC1=CON=C1 B39813 [1,0,0,0,0,0|3,0,0]=4 130 B6R1.2 BrC1=CSC=C1 B39148 [1,0,0,0,0,0|3,0,0]=4 131 B6R1.2 BrC1=CSC=N1 B2171 [1,0,0,0,0,0|3,0,0]=4 132 B6R1.2 BrC1=CSN=C1 B39812 [1,0,0,0,0,0|3,0,0]=4 133 B6R1.2 BrC1=NC=CN1 B2807 [1,0,0,0,0,0|2,0,0]=3 134 B6R1.2 BrC1=NC=CS1 B2607 [1,0,0,0,0,0|1,0,0]=2 135 B6R1.2 BrC1=NC=NN1 B39761 [1,0,0,0,0,0|3,0,0]=4 136 B6R1.2 BrC1=NC=NS1 B38787 [1,0,0,0,0,0|2,0,0]=3 137 B6R1.2 BrC1=NN=CS1 B11248 [1,0,0,0,0,0|2,0,0]=3 138 B6R1.2 BrC1=NNC=N1 B11031 [1,0,0,0,0,0|3,0,0]=4 139 B6R1.2 BrC1=NOC=C1 B37012 [1,0,0,0,0,0|3,0,0]=4 140 B6R1.2 BrC1=NSC=C1 B39811 [1,0,0,0,0,0|3,0,0]=4 141 B6R1.2 CC1=CC=CN1 M37933 [1,0,0,0,0,0|1,0,1]=3 142 B6R1.2 CC1=CC=CS1 M39179 [1,0,0,0,0,0|1,0,0]=2 143 B6R1.2 CC1=CC=NO1 M24354 [1,0,0,0,0,0|2,0,0]=3 144 B6R1.2 CC1=CN=CS1 M40166 [1,0,0,0,0,0|0,0,0]=1 145 B6R1.2 CC1=CNC=C1 M14657 [1,0,0,0,0,0|1,0,1]=3 146 B6R1.2 CC1=COC=N1 M13405 [1,0,0,0,0,0|2,0,0]=3 147 B6R1.2 CC1=CSC=N1 M24933 [1,0,0,0,0,0|2,0,0]=3 148 B6R1.2 CC1=NC=CS1 M40165 [1,0,0,0,0,0|0,0,0]=1 149 B6R1.2 CC1=NCCC1 M41239 [1,0,0,0,0,0|1,0,2]=4 150 B6R1.2 CC1=NN=CN1 M15832 [1,0,0,0,0,0|2,0,0]=3 151 B6R1.2 CC1=NN=CO1 M32022 [1,0,0,0,0,0|1,1,0]=3 152 B6R1.2 CC1=NNC=C1 M36663 [1,0,0,0,0,0|2,0,0]=3 153 B6R1.2 CC1=NOC=C1 M40157 [1,0,0,0,0,0|2,0,0]=3 154 B6R1.2 CC1=NON=C1 M62158 [1,0,0,0,0,0|2,0,0]=3 155 B6R1.2 CN1C=CC=N1 M12066 [1,0,0,0,0,0|2,0,0]=3 156 B6R1.2 CN1C=CN=C1 M68061 [1,0,0,0,0,0|2,0,0]=3 157 B6R1.2 CN1C=CN=N1 M38094 [1,0,0,0,0,0|3,0,0]=4 158 B6R1.2 CN1C=NC=N1 M64922 [1,0,0,0,0,0|2,0,0]=3 159 B6R1.2 CN1C=NN=C1 M37134 [1,0,0,0,0,0|3,0,0]=4 160 B6R1.2 ClC1=CC=NN1 C10789 [1,0,0,0,0,0|3,0,0]=4 161 B6R1.2 ClC1=CC=NN1 C39819 [1,0,0,0,0,0|3,0,0]=4 162 B6R1.2 ClC1=CN=CN1 C38031 [1,0,0,0,0,0|2,0,0]=3 163 B6R1.2 ClC1=CNN=C1 C39818 [1,0,0,0,0,0|3,0,0]=4 164 B6R1.2 ClC1=CSC=C1 C40018 [1,0,0,0,0,0|3,0,0]=4 165 B6R1.2 ClC1=CSC=N1 C9773 [1,0,0,0,0,0|3,0,0]=4 166 B6R1.2 ClC1=NC=CN1 C38255 [1,0,0,0,0,0|2,0,0]=3 167 B6R1.2 ClC1=NC=CS1 C2694 [1,0,0,0,0,0|1,0,0]=2 168 B6R1.2 ClC1=NC=NS1 C39789 [1,0,0,0,0,0|2,0,0]=3 169 B6R1.2 ClC1=NNC=N1 C38764 [1,0,0,0,0,0|3,0,0]=4 170 B6R1.2 FC1=CC=NN1 F13459 [1,0,0,0,0,0|3,0,0]=4 171 B6R1.2 FC1=CNN=C1 F13736 [1,0,0,0,0,0|3,0,0]=4 172 B6R1.2 IC1=CC=CS1 K39149 [1,0,0,0,0,0|2,0,0]=3 173 B6R1.2 IC1=CC=NN1 K39821 [1,0,0,0,0,0|3,0,0]=4 174 B6R1.2 IC1=CN=CN1 I2351 [1,0,0,0,0,0|2,0,0]=3 175 B6R1.2 IC1=CNN=C1 I8923 [1,0,0,0,0,0|3,0,0]=4 176 B6R1.2 IC1=CON=C1 K25626 [1,0,0,0,0,0|3,0,0]=4 177 B6R1.2 IC1=CSC=C1 K40019 [1,0,0,0,0,0|3,0,0]=4 178 B6R1.2 IC1=NC=CO1 I11270 [1,0,0,0,0,0|1,1,0]=3 179 B6R1.2 IC1=NNC=C1 I9931 [1,0,0,0,0,0|3,0,0]=4 180 B6R1.2 NC1=CC=NN1 P61114 [1,0,0,0,0,0|3,0,0]=4 181 B6R1.2 NC1=CC=NO1 X67704 [1,0,0,0,0,0|3,0,0]=4 182 B6R1.2 NC1=CC=NS1 T39909 [1,0,0,0,0,0|3,0,0]=4 183 B6R1.2 NC1=CN=CN1 I37101 [1,0,0,0,0,0|2,0,0]=3 184 B6R1.2 NC1=CN=CS1 T39907 [1,0,0,0,0,0|1,0,0]=2 185 B6R1.2 NC1=CN=NS1 T39765 [1,0,0,0,0,0|2,0,0]=3 186 B6R1.2 NC1=CNC=N1 I37475 [1,0,0,0,0,0|2,0,1]=4 187 B6R1.2 NC1=CNN=C1 A12900 [1,0,0,0,0,0|3,0,0]=4 188 B6R1.2 NC1=CNN=C1 A39853 [1,0,0,0,0,0|3,0,0]=4 189 B6R1.2 NC1=COC=N1 X36633 [1,0,0,0,0,0|3,0,0]=4 190 B6R1.2 NC1=CON=C1 A37511 [1,0,0,0,0,0|3,0,0]=4 191 B6R1.2 NC1=CON=C1 K39833 [1,0,0,0,0,0|3,0,0]=4 192 B6R1.2 NC1=CSC=C1 A40167 [1,0,0,0,0,0|3,0,0]=4 193 B6R1.2 NC1=CSC=C1 T10330 [1,0,0,0,0,0|3,0,0]=4 194 B6R1.2 NC1=CSC=C1 T64858 [1,0,0,0,0,0|3,0,0]=4 195 B6R1.2 NC1=CSC=N1 T39908 [1,0,0,0,0,0|3,0,0]=4 196 B6R1.2 NC1=NC=CN1 A28762 [1,0,0,0,0,0|2,0,0]=3 197 B6R1.2 NC1=NC=CN1 A39803 [1,0,0,0,0,0|2,0,0]=3 198 B6R1.2 NC1=NC=CO1 O5740 [1,0,0,0,0,0|1,1,0]=3 199 B6R1.2 NC1=NC=CS1 T39140 [1,0,0,0,0,0|1,0,0]=2 200 B6R1.2 NC1=NC=NS1 T39794 [1,0,0,0,0,0|2,0,0]=3 201 B6R1.2 NC1=NC=NS1 T39799 [1,0,0,0,0,0|2,0,0]=3 202 B6R1.2 NC1=NC=NS1 T61256 [1,0,0,0,0,0|2,0,0]=3 203 B6R1.2 NC1=NN=CS1 T69243 [1,0,0,0,0,0|2,0,0]=3 204 B6R1.2 NC1=NNC=C1 A1108 [1,0,0,0,0,0|3,0,0]=4 205 B6R1.2 NC1=NOC=C1 I0613 [1,0,0,0,0,0|3,0,0]=4 206 B6R1.2 NN1C=CN=C1 I38788 [1,0,0,0,0,0|3,0,0]=4 207 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,0,0,0|3,0,0]=4 208 B6R1.2 O=C1CC=NN1 P39834 [1,0,0,0,0,0|3,0,0]=4 209 B6R1.2 O=C1NC=CN1 K39835 [1,0,0,0,0,0|2,0,1]=4 210 B6R1.2 O=C1NC=CO1 X39828 [1,0,0,0,0,0|1,1,1]=4 211 B6R1.2 OC1=CNN=C1 P61602 [1,0,0,0,0,0|3,0,0]=4 212 B6R1.2 OC1=NC=CS1 H39829 [1,0,0,0,0,0|1,0,0]=2 213 B6R1.2 OC1=NNC=C1 P24482 [1,0,0,0,0,0|3,0,0]=4 214 B6R1.2 ON1C=CC=N1 P25523 [1,0,0,0,0,0|3,0,0]=4 215 B8R1.1 C#CC1=NC(C)=CS1 E42681 [0,1,0,0,0,0|2,0,1]=4 216 B8R1.1 CC1=CC(C#N)=NN1 M9814 [0,1,0,0,0,0|2,0,1]=4 217 B8R1.1 CC1=CC(C=O)=CS1 M29797 [0,1,0,0,0,0|2,0,1]=4 218 B8R1.1 CC1=CC(C=O)=NN1 M41030 [0,1,0,0,0,0|2,0,1]=4 219 B8R1.1 CC1=CC(CN)=NO1 M15781 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.1 CC1=CC=C(C#N)N1 M32172 [0,1,0,0,0,0|2,0,1]=4 221 B8R1.1 CC1=CC=C(C#N)S1 M12843 [0,1,0,0,0,0|1,0,1]=3 222 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,1,0,0,0,0|2,0,1]=4 223 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,1,0,0,0,0|1,0,1]=3 224 B8R1.1 CC1=CC=C(CN)O1 M37131 [0,1,0,0,0,0|1,1,0]=3 225 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,1,0,0,0,0|1,1,0]=3 226 B8R1.1 CC1=CN=C(C=O)S1 M19270 [0,1,0,0,0,0|0,0,1]=2 227 B8R1.1 CC1=CN=C(CO)S1 M41173 [0,1,0,0,0,0|0,0,0]=1 228 B8R1.1 CC1=CNC(C#N)=N1 M40951 [0,1,0,0,0,0|1,0,2]=4 229 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,1,0,0,0,0|2,0,1]=4 230 B8R1.1 CC1=COC(C=O)=N1 M12937 [0,1,0,0,0,0|2,0,1]=4 231 B8R1.1 CC1=CSC(C#N)=N1 M8139 [0,1,0,0,0,0|2,0,1]=4 232 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,1,0,0,0,0|2,0,1]=4 233 B8R1.1 CC1=CSC(C=O)=N1 M14992 [0,1,0,0,0,0|2,0,1]=4 234 B8R1.1 CC1=CSC(CN)=N1 M64512 [0,1,0,0,0,0|2,0,0]=3 235 B8R1.1 CC1=NC(C=O)=CO1 M3278 [0,1,0,0,0,0|2,0,1]=4 236 B8R1.1 CC1=NC(C=O)=CS1 F2075 [0,1,0,0,0,0|2,0,1]=4 237 B8R1.1 CC1=NC(C=O)=NO1 M32392 [0,1,0,0,0,0|2,0,1]=4 238 B8R1.1 CC1=NC(CCl)=NO1 C40128 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.1 CC1=NC(CN)=CO1 M41196 [0,1,0,0,0,0|2,0,0]=3 240 B8R1.1 CC1=NC(CN)=CO1 M41310 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.1 CC1=NC=C(C=O)S1 F2897 [0,1,0,0,0,0|0,0,1]=2 242 B8R1.1 CC1=NC=C(CBr)S1 B41111 [0,1,0,0,0,0|0,0,0]=1 243 B8R1.1 CC1=NC=C(CN)O1 M41197 [0,1,0,0,0,0|0,1,0]=2 244 B8R1.1 CC1=NC=C(CO)O1 M37561 [0,1,0,0,0,0|0,1,0]=2 245 B8R1.1 CC1=NC=C(CO)S1 M1967 [0,1,0,0,0,0|0,0,0]=1 246 B8R1.1 CC1=NN=C(C=O)O1 M36607 [0,1,0,0,0,0|1,1,1]=4 247 B8R1.1 CC1=NN=C(CCl)S1 M66901 [0,1,0,0,0,0|1,0,0]=2 248 B8R1.1 CC1=NOC(C=O)=N1 M36862 [0,1,0,0,0,0|2,0,1]=4 249 B8R1.1 CC1=NOC(CN)=C1 M41364 [0,1,0,0,0,0|2,0,0]=3 250 B8R1.1 CCC1=CC(N)=NO1 E41190 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,1,0,0,0,0|1,0,0]=2 252 B8R1.1 CCC1=CN=C(C)N1 E41428 [0,1,0,0,0,0|1,0,0]=2 253 B8R1.1 CCC1=CN=C(N)S1 E41203 [0,1,0,0,0,0|1,0,0]=2 254 B8R1.1 CCC1=CN=C(N)S1 E69753 [0,1,0,0,0,0|1,0,0]=2 255 B8R1.1 CCC1=NC(C)=CS1 E43395 [0,1,0,0,0,0|2,0,0]=3 256 B8R1.1 CCC1=NN=C(N)O1 A12274 [0,1,0,0,0,0|2,1,0]=4 257 B8R1.1 CCC1=NNC(N)=C1 A9777 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.1 CCC1=NOC(N)=C1 E41189 [0,1,0,0,0,0|3,0,0]=4 259 B8R1.1 CCN1C=C(Br)C=N1 B9823 [0,1,0,0,0,0|3,0,0]=4 260 B8R1.1 CCN1C=C(N)C=N1 A12746 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.1 CN1C=C(C#N)C=N1 M12749 [0,1,0,0,0,0|2,0,1]=4 262 B8R1.1 CN1C=C(C=O)C=N1 M6127 [0,1,0,0,0,0|2,0,1]=4 263 B8R1.1 CN1C=C(CBr)C=N1 B27149 [0,1,0,0,0,0|2,0,0]=3 264 B8R1.1 CN1C=C(CN)C=N1 M16591 [0,1,0,0,0,0|2,0,0]=3 265 B8R1.1 CN1C=C(CN)C=N1 M17032 [0,1,0,0,0,0|2,0,0]=3 266 B8R1.1 CN1C=C(CN)C=N1 M9443 [0,1,0,0,0,0|2,0,0]=3 267 B8R1.1 CN1C=C(CO)C=N1 M10343 [0,1,0,0,0,0|2,0,0]=3 268 B8R1.1 CN1C=CC(CCl)=N1 C25609 [0,1,0,0,0,0|3,0,0]=4 269 B8R1.1 CN1C=CC(CN)=N1 M9952 [0,1,0,0,0,0|3,0,0]=4 270 B8R1.1 CN1C=CC(CO)=N1 M9953 [0,1,0,0,0,0|3,0,0]=4 271 B8R1.1 CN1C=NC(C#N)=C1 M14079 [0,1,0,0,0,0|2,0,1]=4 272 B8R1.1 CN1C=NC(C=O)=C1 M11287 [0,1,0,0,0,0|2,0,1]=4 273 B8R1.1 CN1C=NC(CCl)=C1 C21803 [0,1,0,0,0,0|2,0,0]=3 274 B8R1.1 CN1C=NC(CCl)=N1 C40197 [0,1,0,0,0,0|2,0,0]=3 275 B8R1.1 CN1C=NC(CN)=C1 A11226 [0,1,0,0,0,0|2,0,0]=3 276 B8R1.1 CN1C=NC(CN)=C1 A11227 [0,1,0,0,0,0|2,0,0]=3 277 B8R1.1 CN1C=NC(CN)=C1 A29740 [0,1,0,0,0,0|2,0,0]=3 278 B8R1.1 CN1C=NC(CN)=N1 A14790 [0,1,0,0,0,0|2,0,0]=3 279 B8R1.1 CN1C=NC(CN)=N1 M29766 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.1 CN1C=NC(CO)=C1 M12982 [0,1,0,0,0,0|2,0,0]=3 281 B8R1.1 CN1C=NC(CO)=N1 M14789 [0,1,0,0,0,0|2,0,0]=3 282 B8R1.1 CNC1=CN(C)N=C1 D41402 [0,1,0,0,0,0|2,0,0]=3 283 B8R1.1 CNC1=NN=C(Br)S1 B36789 [0,1,0,0,0,0|2,0,0]=3 284 B8R1.1 COC1=CC(N)=NN1 M0643 [0,1,0,0,0,0|3,0,0]=4 285 B8R1.1 COC1=CC(N)=NN1 M13731 [0,1,0,0,0,0|3,0,0]=4 286 B8R1.1 COC1=CC(N)=NO1 M40185 [0,1,0,0,0,0|3,0,0]=4 287 B8R1.1 COC1=NC(Br)=CS1 B2259 [0,1,0,0,0,0|3,0,0]=4 288 B8R1.1 COC1=NC=C(Br)S1 B2563 [0,1,0,0,0,0|1,0,0]=2 289 B8R1.1 CSC1=CN=C(N)S1 M40191 [0,1,0,0,0,0|1,0,0]=2 290 B8R1.1 CSC1=NC(Br)=CS1 T2262 [0,1,0,0,0,0|3,0,0]=4 291 B8R1.1 CSC1=NC(N)=NN1 M62161 [0,1,0,0,0,0|3,0,0]=4 292 B8R1.1 ClCC1=CC(Br)=NO1 B2105 [0,1,0,0,0,0|3,0,0]=4 293 B8R1.1 ClCC1=CC=C(Cl)S1 C40699 [0,1,0,0,0,0|2,0,0]=3 294 B8R1.1 ClCC1=CN=C(Cl)S1 C2059 [0,1,0,0,0,0|1,0,0]=2 295 B8R1.1 ClCC1=CSC(Cl)=N1 C2721 [0,1,0,0,0,0|3,0,0]=4 296 B8R1.1 N#CC1=CC=C(Br)S1 B7699 [0,1,0,0,0,0|2,0,1]=4 297 B8R1.1 N#CC1=CC=C(Cl)S1 C7716 [0,1,0,0,0,0|2,0,1]=4 298 B8R1.1 N#CC1=CC=C(F)S1 C7719 [0,1,0,0,0,0|2,0,1]=4 299 B8R1.1 N#CC1=CC=C(I)S1 K40542 [0,1,0,0,0,0|2,0,1]=4 300 B8R1.1 N#CC1=CC=C(N)S1 A40782 [0,1,0,0,0,0|2,0,1]=4 301 B8R1.1 N#CC1=CN=C(Br)S1 B36697 [0,1,0,0,0,0|1,0,1]=3 302 B8R1.1 N#CC1=CN=C(Cl)S1 C3295 [0,1,0,0,0,0|1,0,1]=3 303 B8R1.1 N#CC1=NC=C(Br)S1 B13059 [0,1,0,0,0,0|1,0,1]=3 304 B8R1.1 N#CC1=NC=C(Cl)S1 C13064 [0,1,0,0,0,0|1,0,1]=3 305 B8R1.1 NC1=NC(CCl)=CS1 A2564 [0,1,0,0,0,0|3,0,0]=4 306 B8R1.1 NC1=NC(CO)=CS1 A40186 [0,1,0,0,0,0|3,0,0]=4 307 B8R1.1 NC1=NC=C(C=O)S1 A2114 [0,1,0,0,0,0|1,0,1]=3 308 B8R1.1 NC1=NC=C(C=O)S1 A40321 [0,1,0,0,0,0|1,0,1]=3 309 B8R1.1 NC1=NC=C(CO)S1 A40187 [0,1,0,0,0,0|1,0,0]=2 310 B8R1.1 NC1=NNC(CO)=C1 A14738 [0,1,0,0,0,0|3,0,0]=4 311 B8R1.1 NCC1=CC(Br)=CS1 B41112 [0,1,0,0,0,0|3,0,0]=4 312 B8R1.1 NCC1=CC=C(Br)S1 A12757 [0,1,0,0,0,0|2,0,0]=3 313 B8R1.1 NCC1=CC=C(Cl)S1 A12836 [0,1,0,0,0,0|2,0,0]=3 314 B8R1.1 NCC1=CC=C(Cl)S1 C27089 [0,1,0,0,0,0|2,0,0]=3 315 B8R1.1 NCC1=CC=C(F)S1 F8124 [0,1,0,0,0,0|2,0,0]=3 316 B8R1.1 NCC1=CN=C(Cl)S1 C40120 [0,1,0,0,0,0|1,0,0]=2 317 B8R1.1 NCC1=CSC(Br)=C1 B16484 [0,1,0,0,0,0|3,0,0]=4 318 B8R1.1 NCC1=CSC(Cl)=C1 C7665 [0,1,0,0,0,0|3,0,0]=4 319 B8R1.1 NCC1=NC=C(Br)S1 B10574 [0,1,0,0,0,0|1,0,0]=2 320 B8R1.1 NCC1=NC=C(Br)S1 B13057 [0,1,0,0,0,0|1,0,0]=2 321 B8R1.1 NCC1=NC=C(Cl)S1 C13932 [0,1,0,0,0,0|1,0,0]=2 322 B8R1.1 O=C1NN=C(CCl)N1 C39844 [0,1,0,0,0,0|3,0,0]=4 323 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [0,1,0,0,0,0|2,0,1]=4 324 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [0,1,0,0,0,0|2,0,1]=4 325 B8R1.1 O=CC1=CN=C(Br)S1 B2119 [0,1,0,0,0,0|1,0,1]=3 326 B8R1.1 O=CC1=CN=C(Cl)S1 C5784 [0,1,0,0,0,0|1,0,1]=3 327 B8R1.1 O=CC1=NC=C(Br)S1 B2465 [0,1,0,0,0,0|1,0,1]=3 328 B8R1.1 O=CC1=NC=C(Cl)S1 C9512 [0,1,0,0,0,0|1,0,1]=3 329 B8R1.1 OCC1=CC(Br)=CS1 B12759 [0,1,0,0,0,0|3,0,0]=4 330 B8R1.1 OCC1=CC(Br)=NO1 B2177 [0,1,0,0,0,0|3,0,0]=4 331 B8R1.1 OCC1=CC(Cl)=CS1 C7722 [0,1,0,0,0,0|3,0,0]=4 332 B8R1.1 OCC1=CC=C(Br)S1 B12756 [0,1,0,0,0,0|2,0,0]=3 333 B8R1.1 OCC1=CC=C(Br)S1 B41016 [0,1,0,0,0,0|2,0,0]=3 334 B8R1.1 OCC1=CC=C(Cl)S1 C1567 [0,1,0,0,0,0|2,0,0]=3 335 B8R1.1 OCC1=CC=C(F)S1 F8123 [0,1,0,0,0,0|2,0,0]=3 336 B8R1.1 OCC1=CN=C(Br)S1 B2127 [0,1,0,0,0,0|1,0,0]=2 337 B8R1.1 OCC1=CN=C(Cl)S1 C2061 [0,1,0,0,0,0|1,0,0]=2 338 B8R1.1 OCC1=COC(Br)=N1 B3572 [0,1,0,0,0,0|3,0,0]=4 339 B8R1.1 OCC1=CSC(Br)=N1 B2126 [0,1,0,0,0,0|3,0,0]=4 340 B8R1.1 OCC1=CSC(Cl)=C1 C7721 [0,1,0,0,0,0|3,0,0]=4 341 B8R1.1 OCC1=CSC(Cl)=N1 C2782 [0,1,0,0,0,0|3,0,0]=4 342 B8R1.1 OCC1=NC(Br)=CN1 B32450 [0,1,0,0,0,0|2,0,1]=4 343 B8R1.1 OCC1=NC(Br)=CS1 B10817 [0,1,0,0,0,0|3,0,0]=4 344 B8R1.1 OCC1=NC=C(Br)S1 B10575 [0,1,0,0,0,0|1,0,0]=2 345 B8R1.1 OCC1=NC=C(Cl)S1 C13054 [0,1,0,0,0,0|1,0,0]=2 346 B8R1.18 BrC1=CC(Br)=C(Br)S1 T39158 [0,1,0,0,0,0|3,0,0]=4 347 B8R1.18 CC1=C(Br)N=C(Br)S1 D37493 [0,1,0,0,0,0|1,0,0]=2 348 B8R1.18 CC1=C(Br)N=C(N)S1 B67359 [0,1,0,0,0,0|1,0,0]=2 349 B8R1.18 CC1=C(Br)NC(Br)=N1 D40071 [0,1,0,0,0,0|2,0,1]=4 350 B8R1.18 CC1=C(Br)SC(Br)=C1 D40697 [0,1,0,0,0,0|3,0,0]=4 351 B8R1.18 CC1=C(Br)SC(Br)=N1 D3449 [0,1,0,0,0,0|2,0,0]=3 352 B8R1.18 CC1=C(Br)SC(N)=N1 A2767 [0,1,0,0,0,0|2,0,0]=3 353 B8R1.18 CC1=C(Br)SC(N)=N1 A3604 [0,1,0,0,0,0|2,0,0]=3 354 B8R1.18 CC1=C(C)NC(N)=N1 D41246 [0,1,0,0,0,0|2,0,0]=3 355 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,1,0,0,0,0|2,1,0]=4 356 B8R1.18 CC1=C(C)SC(Br)=N1 B37797 [0,1,0,0,0,0|1,0,0]=2 357 B8R1.18 CC1=C(C)SC(N)=N1 D41205 [0,1,0,0,0,0|1,0,0]=2 358 B8R1.18 CC1=C(C)SC(N)=N1 D41367 [0,1,0,0,0,0|1,0,0]=2 359 B8R1.18 CC1=C(Cl)SC(Cl)=C1 D40698 [0,1,0,0,0,0|3,0,0]=4 360 B8R1.18 CC1=C(Cl)SC(N)=N1 A2766 [0,1,0,0,0,0|2,0,0]=3 361 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,1,0,0,0,0|3,0,0]=4 362 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,0,0,0|1,1,1]=4 363 B8R1.18 CC1=CC(Br)=NN1C B41126 [0,1,0,0,0,0|3,0,0]=4 364 B8R1.18 CC1=CC(C)=NN1C T41425 [0,1,0,0,0,0|2,0,0]=3 365 B8R1.18 CC1=CC(Cl)=NN1C C41128 [0,1,0,0,0,0|3,0,0]=4 366 B8R1.18 CC1=CC(N)=NN1C D41245 [0,1,0,0,0,0|3,0,0]=4 367 B8R1.18 CC1=CN(C)N=C1I K41134 [0,1,0,0,0,0|2,0,0]=3 368 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [0,1,0,0,0,0|0,0,0]=1 369 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [0,1,0,0,0,0|0,1,0]=2 370 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [0,1,0,0,0,0|3,0,0]=4 371 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [0,1,0,0,0,0|3,0,0]=4 372 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [0,1,0,0,0,0|3,0,0]=4 373 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [0,1,0,0,0,0|3,0,0]=4 374 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [0,1,0,0,0,0|3,0,0]=4 375 B8R1.18 CC1=NN(C)C=C1Br B12747 [0,1,0,0,0,0|3,0,0]=4 376 B8R1.18 CC1=NN(C)C=C1I K41135 [0,1,0,0,0,0|3,0,0]=4 377 B8R1.18 CC1=NN(C)C=C1N A10473 [0,1,0,0,0,0|3,0,0]=4 378 B8R1.18 CC1=NN(C)C=C1N D41244 [0,1,0,0,0,0|3,0,0]=4 379 B8R1.18 CC1=NN(C)N=C1Br B39014 [0,1,0,0,0,0|2,0,0]=3 380 B8R1.18 CN1C=C(Br)C(F)=N1 B59911 [0,1,0,0,0,0|3,0,0]=4 381 B8R1.18 CN1C=C(Br)C(N)=N1 B40192 [0,1,0,0,0,0|3,0,0]=4 382 B8R1.18 CN1C=C(N)C(Cl)=N1 C64471 [0,1,0,0,0,0|3,0,0]=4 383 B8R1.18 CN1N=C(Br)N=C1Br D22545 [0,1,0,0,0,0|3,0,0]=4 384 B8R1.18 CN1SC(Cl)=CC1=O C69553 [0,1,0,0,0,0|3,0,0]=4 385 B8R1.50 CC1=C(Br)C=NN1C B41125 [0,1,0,0,0,0|3,0,0]=4 386 B8R1.50 CC1=C(Br)N(C)N=C1 B19368 [0,1,0,0,0,0|2,0,0]=3 387 B8R1.50 CC1=C(Br)N(C)N=N1 B37625 [0,1,0,0,0,0|3,0,0]=4 388 B8R1.50 CC1=C(C)C(N)=NN1 D26412 [0,1,0,0,0,0|3,0,0]=4 389 B8R1.50 CC1=C(C)C(N)=NO1 D1375 [0,1,0,0,0,0|3,0,0]=4 390 B8R1.50 CC1=C(I)C(I)=NN1 D40072 [0,1,0,0,0,0|3,0,0]=4 391 B8R1.50 CC1=C(I)N(C)N=N1 K40198 [0,1,0,0,0,0|3,0,0]=4 392 B8R1.50 CC1=C(N)C=NN1C D41401 [0,1,0,0,0,0|3,0,0]=4 393 B8R1.50 CC1=NC=C(Br)N1C B41127 [0,1,0,0,0,0|2,0,0]=3 394 B8R1.50 CC1=NNC(=O)[C@H]1Br B40126 [0,1,0,0,0,0|3,0,0]=4 395 B8R1.50 CC1=NNC(=S)N1C D40225 [0,1,0,0,0,0|3,0,0]=4 396 B8R1.50 CC1=NNC(C)=C1Br B39180 [0,1,0,0,0,0|2,0,0]=3 397 B8R1.50 CC1=NNC(C)=C1I D41133 [0,1,0,0,0,0|2,0,0]=3 398 B8R1.50 CC1=NNC(Cl)=C1N C12419 [0,1,0,0,0,0|3,0,0]=4 399 B8R1.50 CC1=NOC(C)=C1Br B7571 [0,1,0,0,0,0|2,0,0]=3 400 B8R1.50 CC1=NOC(C)=C1I D39177 [0,1,0,0,0,0|2,0,0]=3 401 B8R1.50 CC1=NOC(N)=C1Br B67364 [0,1,0,0,0,0|3,0,0]=4 402 B8R1.50 CC1=NOC(N)=C1Cl C64997 [0,1,0,0,0,0|3,0,0]=4 403 B8R1.50 CN1C(I)=CN=C1I D2352 [0,1,0,0,0,0|3,0,0]=4 404 B8R1.50 CN1N=CC(Cl)=C1N C40195 [0,1,0,0,0,0|3,0,0]=4 405 B8R1.50 CN1N=CC(N)=C1N M39945 [0,1,0,0,0,0|3,0,0]=4 406 B6R0.1 CCO\C(C)=N\O E68624 [0,0,1,0,0,0|1,1,1]=4 407 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,1,0,0,0|2,0,1]=4 408 B6R0.4 COC=CC(C)=O M41222 [0,0,1,0,0,0|2,1,0]=4 409 B8R1.3 BrC1=CN=C(Br)C=C1 D4497 [0,0,0,0,0,1|3,0,0]=4 410 B8R1.3 BrC1=CN=C(Br)C=N1 D3577 [0,0,0,0,0,1|3,0,0]=4 411 B8R1.3 BrC1=CN=C(Br)N=C1 D9536 [0,0,0,0,0,1|3,0,0]=4 412 B8R1.3 BrC1=CN=C(I)C=C1 B1586 [0,0,0,0,0,1|3,0,0]=4 413 B8R1.3 BrC1=CN=C(I)C=N1 B3582 [0,0,0,0,0,1|3,0,0]=4 414 B8R1.3 BrC1=CN=C(I)N=C1 B3076 [0,0,0,0,0,1|3,0,0]=4 415 B8R1.3 BrC1=NC=C(I)C=C1 B12390 [0,0,0,0,0,1|3,0,0]=4 416 B8R1.3 BrC1=NC=C(I)C=N1 B39107 [0,0,0,0,0,1|3,0,0]=4 417 B8R1.3 CC1=CC=C(C)N=N1 D43182 [0,0,0,0,0,1|2,0,0]=3 418 B8R1.3 CC1=CC=C(I)C=C1 K68149 [0,0,0,0,0,1|3,0,0]=4 419 B8R1.3 CC1=CC=C(N)N=N1 A0340 [0,0,0,0,0,1|3,0,0]=4 420 B8R1.3 CC1=CC=C([Mg+])C=C1 M31731 [0,0,0,0,0,1|3,0,0]=4 421 B8R1.3 CC1=CN=C(Br)C=C1 B4672 [0,0,0,0,0,1|2,0,0]=3 422 B8R1.3 CC1=CN=C(Br)C=N1 B14614 [0,0,0,0,0,1|2,0,0]=3 423 B8R1.3 CC1=CN=C(Br)N=C1 B67690 [0,0,0,0,0,1|2,0,0]=3 424 B8R1.3 CC1=CN=C(Cl)C=C1 C21968 [0,0,0,0,0,1|2,0,0]=3 425 B8R1.3 CC1=CN=C(Cl)C=N1 C40876 [0,0,0,0,0,1|2,0,0]=3 426 B8R1.3 CC1=CN=C(Cl)N=C1 C4929 [0,0,0,0,0,1|2,0,0]=3 427 B8R1.3 CC1=CN=C(F)C=C1 F22553 [0,0,0,0,0,1|2,0,0]=3 428 B8R1.3 CC1=CN=C(N)C=C1 M20542 [0,0,0,0,0,1|2,0,0]=3 429 B8R1.3 CC1=CN=C(N)C=N1 M14592 [0,0,0,0,0,1|2,0,0]=3 430 B8R1.3 CC1=CN=C(N)N=C1 A0080 [0,0,0,0,0,1|2,0,0]=3 431 B8R1.3 CC1=CN=C(N)N=C1 M38708 [0,0,0,0,0,1|2,0,0]=3 432 B8R1.3 CC1=CN=C(O)C=C1 M63706 [0,0,0,0,0,1|2,0,0]=3 433 B8R1.3 CC1=CNC(=O)C=C1 M68372 [0,0,0,0,0,1|2,0,1]=4 434 B8R1.3 CC1=CNC(=O)C=N1 M68091 [0,0,0,0,0,1|2,0,0]=3 435 B8R1.3 CC1=NC=C(Br)C=C1 B5402 [0,0,0,0,0,1|2,0,0]=3 436 B8R1.3 CC1=NC=C(Br)C=N1 B0659 [0,0,0,0,0,1|2,0,0]=3 437 B8R1.3 CC1=NC=C(Cl)C=C1 C42845 [0,0,0,0,0,1|2,0,0]=3 438 B8R1.3 CC1=NC=C(Cl)C=N1 C40879 [0,0,0,0,0,1|2,0,0]=3 439 B8R1.3 CC1=NC=C(F)C=C1 F1117 [0,0,0,0,0,1|2,0,0]=3 440 B8R1.3 CC1=NC=C(F)C=N1 F40883 [0,0,0,0,0,1|2,0,0]=3 441 B8R1.3 CC1=NC=C(I)C=C1 I36966 [0,0,0,0,0,1|2,0,0]=3 442 B8R1.3 CC1=NC=C(N)C=C1 A1121 [0,0,0,0,0,1|2,0,0]=3 443 B8R1.3 CC1=NC=C(N)C=N1 A10293 [0,0,0,0,0,1|2,0,0]=3 444 B8R1.3 CC1=NC=C(O)C=C1 H4553 [0,0,0,0,0,1|2,0,0]=3 445 B8R1.3 CC1=NC=C(O)C=N1 M23235 [0,0,0,0,0,1|2,0,0]=3 446 B8R1.3 CC1=NN=C(Br)C=C1 B10633 [0,0,0,0,0,1|3,0,0]=4 447 B8R1.3 CC1=NN=C(Cl)C=C1 C3219 [0,0,0,0,0,1|3,0,0]=4 448 B8R1.3 CC1=NN=C(I)C=C1 I10435 [0,0,0,0,0,1|3,0,0]=4 449 B8R1.3 CC1=NNC(=O)C=C1 M0242 [0,0,0,0,0,1|3,0,0]=4 450 B8R1.3 CC1=NNC(=O)C=C1 M25029 [0,0,0,0,0,1|3,0,0]=4 451 B8R1.3 CC1=NNC(=O)C=C1 M41309 [0,0,0,0,0,1|3,0,0]=4 452 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,0,0,1|3,0,0]=4 453 B8R1.3 ClC1=CN=C(Br)C=C1 B4976 [0,0,0,0,0,1|3,0,0]=4 454 B8R1.3 ClC1=CN=C(Br)C=N1 B3581 [0,0,0,0,0,1|3,0,0]=4 455 B8R1.3 ClC1=CN=C(Br)N=C1 B17946 [0,0,0,0,0,1|3,0,0]=4 456 B8R1.3 ClC1=CN=C(Cl)C=C1 D4510 [0,0,0,0,0,1|3,0,0]=4 457 B8R1.3 ClC1=CN=C(Cl)C=N1 D3587 [0,0,0,0,0,1|3,0,0]=4 458 B8R1.3 ClC1=CN=C(Cl)N=C1 D3914 [0,0,0,0,0,1|3,0,0]=4 459 B8R1.3 ClC1=CN=C(I)C=C1 I4551 [0,0,0,0,0,1|3,0,0]=4 460 B8R1.3 ClC1=CN=C(I)C=N1 C39982 [0,0,0,0,0,1|3,0,0]=4 461 B8R1.3 ClC1=CN=C(I)N=C1 C4724 [0,0,0,0,0,1|3,0,0]=4 462 B8R1.3 ClC1=NC=C(Br)C=C1 B3973 [0,0,0,0,0,1|3,0,0]=4 463 B8R1.3 ClC1=NC=C(Br)C=N1 B2217 [0,0,0,0,0,1|3,0,0]=4 464 B8R1.3 ClC1=NC=C(I)C=C1 C24918 [0,0,0,0,0,1|3,0,0]=4 465 B8R1.3 ClC1=NC=C(I)C=N1 C6980 [0,0,0,0,0,1|3,0,0]=4 466 B8R1.3 FC1=CN=C(Br)C=C1 B40635 [0,0,0,0,0,1|3,0,0]=4 467 B8R1.3 FC1=CN=C(Br)C=N1 B39978 [0,0,0,0,0,1|3,0,0]=4 468 B8R1.3 FC1=CN=C(Br)N=C1 B4878 [0,0,0,0,0,1|3,0,0]=4 469 B8R1.3 FC1=CN=C(Cl)C=C1 C40641 [0,0,0,0,0,1|3,0,0]=4 470 B8R1.3 FC1=CN=C(Cl)N=C1 C2722 [0,0,0,0,0,1|3,0,0]=4 471 B8R1.3 FC1=CN=C(F)C=C1 D40649 [0,0,0,0,0,1|3,0,0]=4 472 B8R1.3 FC1=CN=C(I)C=C1 F38230 [0,0,0,0,0,1|3,0,0]=4 473 B8R1.3 FC1=NC=C(Br)C=C1 B4730 [0,0,0,0,0,1|3,0,0]=4 474 B8R1.3 FC1=NC=C(Br)C=N1 B2219 [0,0,0,0,0,1|3,0,0]=4 475 B8R1.3 FC1=NC=C(Cl)C=C1 C40644 [0,0,0,0,0,1|3,0,0]=4 476 B8R1.3 FC1=NC=C(I)C=C1 F40650 [0,0,0,0,0,1|3,0,0]=4 477 B8R1.3 FC1=NC=C(I)C=N1 F39986 [0,0,0,0,0,1|3,0,0]=4 478 B8R1.3 NC1=CN=C(Br)C=C1 A4783 [0,0,0,0,0,1|3,0,0]=4 479 B8R1.3 NC1=CN=C(Br)C=N1 A2854 [0,0,0,0,0,1|3,0,0]=4 480 B8R1.3 NC1=CN=C(Br)N=C1 A12920 [0,0,0,0,0,1|3,0,0]=4 481 B8R1.3 NC1=CN=C(Cl)C=C1 C39174 [0,0,0,0,0,1|3,0,0]=4 482 B8R1.3 NC1=CN=C(Cl)C=N1 A0684 [0,0,0,0,0,1|3,0,0]=4 483 B8R1.3 NC1=CN=C(Cl)N=C1 A3768 [0,0,0,0,0,1|3,0,0]=4 484 B8R1.3 NC1=CN=C(F)C=C1 A12653 [0,0,0,0,0,1|3,0,0]=4 485 B8R1.3 NC1=CN=C(I)C=C1 A40889 [0,0,0,0,0,1|3,0,0]=4 486 B8R1.3 NC1=CN=C(I)C=N1 A40087 [0,0,0,0,0,1|3,0,0]=4 487 B8R1.3 NC1=CN=C(N)C=N1 P40199 [0,0,0,0,0,1|3,0,0]=4 488 B8R1.3 NC1=CN=C(N)C=N1 P40324 [0,0,0,0,0,1|3,0,0]=4 489 B8R1.3 NC1=NC=C(Br)C=C1 A5382 [0,0,0,0,0,1|3,0,0]=4 490 B8R1.3 NC1=NC=C(Br)C=N1 A0339 [0,0,0,0,0,1|3,0,0]=4 491 B8R1.3 NC1=NC=C(Cl)C=N1 A9537 [0,0,0,0,0,1|3,0,0]=4 492 B8R1.3 NC1=NC=C(F)C=C1 A3607 [0,0,0,0,0,1|3,0,0]=4 493 B8R1.3 NC1=NC=C(F)C=N1 F40086 [0,0,0,0,0,1|3,0,0]=4 494 B8R1.3 NC1=NC=C(I)C=C1 K4516 [0,0,0,0,0,1|3,0,0]=4 495 B8R1.3 NC1=NC=C(I)C=N1 A40089 [0,0,0,0,0,1|3,0,0]=4 496 B8R1.3 NC1=NC=C(O)C=N1 A4017 [0,0,0,0,0,1|3,0,0]=4 497 B8R1.3 NC1=NN=C(Br)C=N1 A39826 [0,0,0,0,0,1|3,0,0]=4 498 B8R1.3 O=C1N=CC(Cl)=CN1 C69555 [0,0,0,0,0,1|3,0,0]=4 499 B8R1.3 O=C1N=CC(F)=CN1 F68054 [0,0,0,0,0,1|3,0,0]=4 500 B8R1.3 O=C1N=CC(I)=CN1 K40045 [0,0,0,0,0,1|3,0,0]=4 501 B8R1.3 OC1=CN=C(Br)C=C1 B0344 [0,0,0,0,0,1|3,0,0]=4 502 B8R1.3 OC1=CN=C(Br)C=N1 B14598 [0,0,0,0,0,1|3,0,0]=4 503 B8R1.3 OC1=CN=C(Br)N=C1 B7907 [0,0,0,0,0,1|3,0,0]=4 504 B8R1.3 OC1=CN=C(Cl)C=C1 C4788 [0,0,0,0,0,1|3,0,0]=4 505 B8R1.3 OC1=CN=C(Cl)C=N1 C38694 [0,0,0,0,0,1|3,0,0]=4 506 B8R1.3 OC1=CN=C(Cl)N=C1 C0498 [0,0,0,0,0,1|3,0,0]=4 507 B8R1.3 OC1=CN=C(F)C=C1 F5147 [0,0,0,0,0,1|3,0,0]=4 508 B8R1.3 OC1=NC=C(Br)C=C1 B39171 [0,0,0,0,0,1|3,0,0]=4 509 B8R1.3 OC1=NC=C(Br)C=C1 B39172 [0,0,0,0,0,1|3,0,0]=4 510 B8R1.3 OC1=NC=C(Br)C=N1 B2618 [0,0,0,0,0,1|3,0,0]=4 511 B8R1.3 OC1=NC=C(F)C=C1 F36674 [0,0,0,0,0,1|3,0,0]=4 512 B8R1.3 OC1=NC=C(I)C=C1 K40858 [0,0,0,0,0,1|3,0,0]=4 513 B8R1.3 SC1=NC=C(Br)C=C1 B40822 [0,0,0,0,0,1|3,0,0]=4 514 B8R1.4 BrC1=CC(Br)=NC=C1 D2494 [0,0,0,0,0,1|3,0,0]=4 515 B8R1.4 BrC1=CC(Br)=NC=N1 D7414 [0,0,0,0,0,1|3,0,0]=4 516 B8R1.4 BrC1=CC(I)=CN=C1 B22533 [0,0,0,0,0,1|3,0,0]=4 517 B8R1.4 BrC1=CC=NC(Br)=N1 D12195 [0,0,0,0,0,1|3,0,0]=4 518 B8R1.4 BrC1=CN=CC(Br)=C1 D2466 [0,0,0,0,0,1|3,0,0]=4 519 B8R1.4 BrC1=CN=CC(Br)=N1 D39976 [0,0,0,0,0,1|3,0,0]=4 520 B8R1.4 BrC1=NC=CC(I)=C1 B15186 [0,0,0,0,0,1|3,0,0]=4 521 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,0,0,0,0,1|2,0,0]=3 522 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,0,0,0,0,1|2,0,0]=3 523 B8R1.4 CC1=CC(=S)NC=N1 M41054 [0,0,0,0,0,1|2,0,0]=3 524 B8R1.4 CC1=CC(Br)=CN=C1 B10806 [0,0,0,0,0,1|2,0,0]=3 525 B8R1.4 CC1=CC(Br)=NC=C1 B5404 [0,0,0,0,0,1|2,0,0]=3 526 B8R1.4 CC1=CC(Br)=NC=N1 B40871 [0,0,0,0,0,1|2,0,0]=3 527 B8R1.4 CC1=CC(C)=NC=N1 D7855 [0,0,0,0,0,1|1,0,0]=2 528 B8R1.4 CC1=CC(Cl)=CN=C1 C22076 [0,0,0,0,0,1|2,0,0]=3 529 B8R1.4 CC1=CC(Cl)=NC=C1 C4515 [0,0,0,0,0,1|2,0,0]=3 530 B8R1.4 CC1=CC(Cl)=NC=N1 C11796 [0,0,0,0,0,1|2,0,0]=3 531 B8R1.4 CC1=CC(Cl)=NN=C1 C2948 [0,0,0,0,0,1|2,0,0]=3 532 B8R1.4 CC1=CC(F)=CN=C1 F42848 [0,0,0,0,0,1|2,0,0]=3 533 B8R1.4 CC1=CC(N)=NC=C1 M67573 [0,0,0,0,0,1|2,0,0]=3 534 B8R1.4 CC1=CC(N)=NC=N1 M8922 [0,0,0,0,0,1|2,0,0]=3 535 B8R1.4 CC1=CC(O)=CN=C1 H23648 [0,0,0,0,0,1|2,0,0]=3 536 B8R1.4 CC1=CC(O)=NC=C1 M18825 [0,0,0,0,0,1|2,0,0]=3 537 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,0,0,0,0,1|3,0,0]=4 538 B8R1.4 CC1=CC=CC(Br)=N1 B39267 [0,0,0,0,0,1|3,0,0]=4 539 B8R1.4 CC1=CC=CC(Cl)=N1 C4547 [0,0,0,0,0,1|3,0,0]=4 540 B8R1.4 CC1=CC=CC(F)=N1 F39268 [0,0,0,0,0,1|3,0,0]=4 541 B8R1.4 CC1=CC=CC(I)=C1 K68735 [0,0,0,0,0,1|3,0,0]=4 542 B8R1.4 CC1=CC=CC(I)=N1 K42850 [0,0,0,0,0,1|3,0,0]=4 543 B8R1.4 CC1=CC=CC(N)=N1 A13755 [0,0,0,0,0,1|3,0,0]=4 544 B8R1.4 CC1=CC=CC(S)=N1 M38177 [0,0,0,0,0,1|3,0,0]=4 545 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [0,0,0,0,0,1|3,0,0]=4 546 B8R1.4 CC1=CC=NC(Br)=N1 B40870 [0,0,0,0,0,1|2,0,0]=3 547 B8R1.4 CC1=CC=NC(C)=N1 D43181 [0,0,0,0,0,1|1,0,0]=2 548 B8R1.4 CC1=CC=NC(Cl)=N1 C3497 [0,0,0,0,0,1|2,0,0]=3 549 B8R1.4 CC1=CC=NC(I)=N1 I37139 [0,0,0,0,0,1|2,0,0]=3 550 B8R1.4 CC1=CC=NC(N)=N1 M41141 [0,0,0,0,0,1|2,0,0]=3 551 B8R1.4 CC1=CC=NC(O)=N1 M68180 [0,0,0,0,0,1|2,0,0]=3 552 B8R1.4 CC1=CN=CC(Br)=N1 B38752 [0,0,0,0,0,1|2,0,0]=3 553 B8R1.4 CC1=CN=CC(C)=N1 D69480 [0,0,0,0,0,1|1,0,0]=2 554 B8R1.4 CC1=CN=CC(Cl)=N1 C37906 [0,0,0,0,0,1|2,0,0]=3 555 B8R1.4 CC1=CN=CC(N)=C1 A4718 [0,0,0,0,0,1|2,0,0]=3 556 B8R1.4 CC1=CN=CC(N)=N1 M41139 [0,0,0,0,0,1|2,0,0]=3 557 B8R1.4 CC1=CN=CC(O)=N1 M67557 [0,0,0,0,0,1|2,0,0]=3 558 B8R1.4 CC1=NC=CC(=O)N1 M41026 [0,0,0,0,0,1|2,0,0]=3 559 B8R1.4 CC1=NC=CC(Br)=C1 B1746 [0,0,0,0,0,1|2,0,0]=3 560 B8R1.4 CC1=NC=CC(Br)=N1 B32286 [0,0,0,0,0,1|2,0,0]=3 561 B8R1.4 CC1=NC=CC(Cl)=C1 C42842 [0,0,0,0,0,1|2,0,0]=3 562 B8R1.4 CC1=NC=CC(Cl)=N1 C11598 [0,0,0,0,0,1|2,0,0]=3 563 B8R1.4 CC1=NC=CC(F)=C1 F67675 [0,0,0,0,0,1|2,0,0]=3 564 B8R1.4 CC1=NC=CC(I)=C1 K42851 [0,0,0,0,0,1|2,0,0]=3 565 B8R1.4 CC1=NC=CC(N)=C1 A12847 [0,0,0,0,0,1|2,0,0]=3 566 B8R1.4 CC1=NC=CC(N)=N1 M9010 [0,0,0,0,0,1|2,0,0]=3 567 B8R1.4 CC1=NC=CC(O)=C1 H1019 [0,0,0,0,0,1|2,0,0]=3 568 B8R1.4 CC1=NC=CC(O)=N1 M69189 [0,0,0,0,0,1|2,0,0]=3 569 B8R1.4 ClC1=CC(Br)=CN=C1 B5214 [0,0,0,0,0,1|3,0,0]=4 570 B8R1.4 ClC1=CC(Br)=CN=N1 B17337 [0,0,0,0,0,1|3,0,0]=4 571 B8R1.4 ClC1=CC(Br)=NC=C1 B2615 [0,0,0,0,0,1|3,0,0]=4 572 B8R1.4 ClC1=CC(Cl)=NC=C1 D31097 [0,0,0,0,0,1|3,0,0]=4 573 B8R1.4 ClC1=CC(Cl)=NN=C1 D39979 [0,0,0,0,0,1|3,0,0]=4 574 B8R1.4 ClC1=CC(I)=CN=C1 C40646 [0,0,0,0,0,1|3,0,0]=4 575 B8R1.4 ClC1=CC(I)=NC=C1 C37780 [0,0,0,0,0,1|3,0,0]=4 576 B8R1.4 ClC1=CC(I)=NC=N1 C39983 [0,0,0,0,0,1|3,0,0]=4 577 B8R1.4 ClC1=CC=NC(Cl)=N1 D2489 [0,0,0,0,0,1|3,0,0]=4 578 B8R1.4 ClC1=CN=CC(Cl)=C1 D22607 [0,0,0,0,0,1|3,0,0]=4 579 B8R1.4 ClC1=CN=CC(Cl)=N1 D2303 [0,0,0,0,0,1|3,0,0]=4 580 B8R1.4 ClC1=NC=CC(Br)=C1 B2879 [0,0,0,0,0,1|3,0,0]=4 581 B8R1.4 ClC1=NC=CC(Br)=N1 B39977 [0,0,0,0,0,1|3,0,0]=4 582 B8R1.4 ClC1=NC=CC(I)=C1 C2347 [0,0,0,0,0,1|3,0,0]=4 583 B8R1.4 ClC1=NC=NC(Cl)=N1 D10511 [0,0,0,0,0,1|3,0,0]=4 584 B8R1.4 FC1=CC(Br)=CN=C1 B4562 [0,0,0,0,0,1|3,0,0]=4 585 B8R1.4 FC1=CC(Br)=NC=C1 B4916 [0,0,0,0,0,1|3,0,0]=4 586 B8R1.4 FC1=CC(Cl)=CN=C1 C40642 [0,0,0,0,0,1|3,0,0]=4 587 B8R1.4 FC1=CC(Cl)=NC=C1 C40640 [0,0,0,0,0,1|3,0,0]=4 588 B8R1.4 FC1=CC(F)=NC=C1 D12477 [0,0,0,0,0,1|3,0,0]=4 589 B8R1.4 FC1=CC(F)=NC=N1 D39984 [0,0,0,0,0,1|3,0,0]=4 590 B8R1.4 FC1=CC(I)=CN=C1 F40651 [0,0,0,0,0,1|3,0,0]=4 591 B8R1.4 FC1=CN=CC(F)=C1 D2972 [0,0,0,0,0,1|3,0,0]=4 592 B8R1.4 FC1=NC=CC(Br)=C1 B2295 [0,0,0,0,0,1|3,0,0]=4 593 B8R1.4 FC1=NC=CC(Cl)=C1 C40643 [0,0,0,0,0,1|3,0,0]=4 594 B8R1.4 FC1=NC=CC(Cl)=N1 C24022 [0,0,0,0,0,1|3,0,0]=4 595 B8R1.4 FC1=NC=CC(I)=C1 F2382 [0,0,0,0,0,1|3,0,0]=4 596 B8R1.4 IC1=CC(I)=NC=N1 D2601 [0,0,0,0,0,1|3,0,0]=4 597 B8R1.4 IC1=CC=NC(I)=N1 D39987 [0,0,0,0,0,1|3,0,0]=4 598 B8R1.4 IC1=CN=CC(I)=C1 D7814 [0,0,0,0,0,1|3,0,0]=4 599 B8R1.4 IC1=CN=CC(I)=N1 D2671 [0,0,0,0,0,1|3,0,0]=4 600 B8R1.4 NC1=CC(=O)NN=C1 A12960 [0,0,0,0,0,1|3,0,0]=4 601 B8R1.4 NC1=CC(Br)=CN=C1 A4523 [0,0,0,0,0,1|3,0,0]=4 602 B8R1.4 NC1=CC(Br)=CN=N1 B37663 [0,0,0,0,0,1|3,0,0]=4 603 B8R1.4 NC1=CC(Br)=NC=C1 A2493 [0,0,0,0,0,1|3,0,0]=4 604 B8R1.4 NC1=CC(Br)=NC=N1 A40083 [0,0,0,0,0,1|3,0,0]=4 605 B8R1.4 NC1=CC(Cl)=CN=C1 C22457 [0,0,0,0,0,1|3,0,0]=4 606 B8R1.4 NC1=CC(Cl)=CN=N1 C10645 [0,0,0,0,0,1|3,0,0]=4 607 B8R1.4 NC1=CC(Cl)=NC=C1 A4859 [0,0,0,0,0,1|3,0,0]=4 608 B8R1.4 NC1=CC(Cl)=NC=N1 A3588 [0,0,0,0,0,1|3,0,0]=4 609 B8R1.4 NC1=CC(Cl)=NN=C1 C14721 [0,0,0,0,0,1|3,0,0]=4 610 B8R1.4 NC1=CC(F)=CN=C1 F40881 [0,0,0,0,0,1|3,0,0]=4 611 B8R1.4 NC1=CC(F)=NC=C1 A10494 [0,0,0,0,0,1|3,0,0]=4 612 B8R1.4 NC1=CC(I)=NC=N1 K40088 [0,0,0,0,0,1|3,0,0]=4 613 B8R1.4 NC1=CC(O)=CN=C1 A41024 [0,0,0,0,0,1|3,0,0]=4 614 B8R1.4 NC1=CC(O)=CN=C1 A41394 [0,0,0,0,0,1|3,0,0]=4 615 B8R1.4 NC1=CC(O)=NC=C1 A41022 [0,0,0,0,0,1|3,0,0]=4 616 B8R1.4 NC1=CC(O)=NC=N1 A37595 [0,0,0,0,0,1|3,0,0]=4 617 B8R1.4 NC1=CC=NC(Br)=N1 A40082 [0,0,0,0,0,1|3,0,0]=4 618 B8R1.4 NC1=CC=NC(Cl)=N1 A0247 [0,0,0,0,0,1|3,0,0]=4 619 B8R1.4 NC1=CC=NC(F)=N1 F30033 [0,0,0,0,0,1|3,0,0]=4 620 B8R1.4 NC1=CN=CC(Br)=N1 B24169 [0,0,0,0,0,1|3,0,0]=4 621 B8R1.4 NC1=CN=CC(Cl)=N1 A2337 [0,0,0,0,0,1|3,0,0]=4 622 B8R1.4 NC1=CN=CC(N)=C1 P41138 [0,0,0,0,0,1|3,0,0]=4 623 B8R1.4 NC1=CN=CC(N)=N1 P40325 [0,0,0,0,0,1|3,0,0]=4 624 B8R1.4 NC1=NC=CC(=O)N1 A7573 [0,0,0,0,0,1|3,0,0]=4 625 B8R1.4 NC1=NC=CC(Br)=C1 A4983 [0,0,0,0,0,1|3,0,0]=4 626 B8R1.4 NC1=NC=CC(Br)=N1 A7574 [0,0,0,0,0,1|3,0,0]=4 627 B8R1.4 NC1=NC=CC(Cl)=C1 A1518 [0,0,0,0,0,1|3,0,0]=4 628 B8R1.4 NC1=NC=CC(Cl)=N1 A1533 [0,0,0,0,0,1|3,0,0]=4 629 B8R1.4 NC1=NC=CC(F)=C1 A2971 [0,0,0,0,0,1|3,0,0]=4 630 B8R1.4 NC1=NC=CC(F)=N1 F13613 [0,0,0,0,0,1|3,0,0]=4 631 B8R1.4 NC1=NC=CC(I)=C1 A8059 [0,0,0,0,0,1|3,0,0]=4 632 B8R1.4 NC1=NC=CC(I)=N1 A13614 [0,0,0,0,0,1|3,0,0]=4 633 B8R1.4 NC1=NC=CC(O)=C1 A41020 [0,0,0,0,0,1|3,0,0]=4 634 B8R1.4 NC1=NC=NC(Cl)=N1 V36934 [0,0,0,0,0,1|3,0,0]=4 635 B8R1.4 O=C1C=C(Cl)C=NN1 C24776 [0,0,0,0,0,1|3,0,0]=4 636 B8R1.4 O=C1C=C(Cl)N=CN1 C23826 [0,0,0,0,0,1|3,0,0]=4 637 B8R1.4 O=C1C=C(I)C=NN1 I1957 [0,0,0,0,0,1|3,0,0]=4 638 B8R1.4 O=C1C=NNC(=O)N1 T67999 [0,0,0,0,0,1|3,0,0]=4 639 B8R1.4 O=C1C=NNC(=S)N1 T39825 [0,0,0,0,0,1|3,0,0]=4 640 B8R1.4 OC1=CC(Br)=CN=C1 B13207 [0,0,0,0,0,1|3,0,0]=4 641 B8R1.4 OC1=CC(Br)=NC=C1 B9469 [0,0,0,0,0,1|3,0,0]=4 642 B8R1.4 OC1=CC(Br)=NC=N1 B40039 [0,0,0,0,0,1|3,0,0]=4 643 B8R1.4 OC1=CC(Cl)=CN=C1 C40849 [0,0,0,0,0,1|3,0,0]=4 644 B8R1.4 OC1=CC(Cl)=NC=C1 C4756 [0,0,0,0,0,1|3,0,0]=4 645 B8R1.4 OC1=CC(F)=CN=C1 F40851 [0,0,0,0,0,1|3,0,0]=4 646 B8R1.4 OC1=CC(O)=NC=C1 P61417 [0,0,0,0,0,1|3,0,0]=4 647 B8R1.4 OC1=CC=NC(Cl)=N1 C24271 [0,0,0,0,0,1|3,0,0]=4 648 B8R1.4 OC1=CN=CC(Cl)=N1 C40042 [0,0,0,0,0,1|3,0,0]=4 649 B8R1.4 OC1=CN=CC(O)=C1 P28714 [0,0,0,0,0,1|3,0,0]=4 650 B8R1.4 OC1=NC=CC(Cl)=C1 C40848 [0,0,0,0,0,1|3,0,0]=4 651 B5R0.1 C=C(C)OCC E5573 [1,0,1,0,0,0|0,1,1]=4 652 B5R0.1 CCOC(C)=N E68065 [1,0,1,0,0,0|0,1,1]=4 653 B5R1.1 C1=CNN=N1 T32182 [2,0,0,0,0,0|2,0,0]=4 654 B5R1.1 C1=COC=N1 X1773 [2,0,0,0,0,0|0,1,0]=3 655 B5R1.1 C1=CSC=N1 T0971 [2,0,0,0,0,0|0,0,0]=2 656 B5R1.1 C1=CSN=C1 T39830 [2,0,0,0,0,0|2,0,0]=4 657 B5R1.1 C1=NC=NN1 T64905 [2,0,0,0,0,0|2,0,0]=4 658 B7R0.6 CC(=O)NN=C(C)C A66607 [0,1,1,0,0,0|1,1,0]=4 659 B7R1.1 BrCC1=CSC=C1 B60823 [1,1,0,0,0,0|2,0,0]=4 660 B7R1.1 BrCC1=NC=CN1 B40117 [1,1,0,0,0,0|1,0,0]=3 661 B7R1.1 C#CC1=CC=CS1 E42371 [1,1,0,0,0,0|1,0,1]=4 662 B7R1.1 C=CC1=CC=CS1 V38168 [1,1,0,0,0,0|1,0,1]=4 663 B7R1.1 C=CC1=NC=CS1 V41009 [1,1,0,0,0,0|0,0,1]=3 664 B7R1.1 CCC1=NC=CN1 E68629 [1,1,0,0,0,0|1,0,0]=3 665 B7R1.1 CCC1=NN=CO1 E37555 [1,1,0,0,0,0|1,1,0]=4 666 B7R1.1 CCN1C=NC=N1 E40218 [1,1,0,0,0,0|2,0,0]=4 667 B7R1.1 CNC1=NC=CS1 M67793 [1,1,0,0,0,0|0,0,0]=2 668 B7R1.1 CNC1=NC=NS1 M32356 [1,1,0,0,0,0|1,0,0]=3 669 B7R1.1 COC1=CC=CS1 M41123 [1,1,0,0,0,0|1,0,0]=3 670 B7R1.1 COC1=CNN=C1 M20056 [1,1,0,0,0,0|2,0,0]=4 671 B7R1.1 COC1=CSC=C1 M41124 [1,1,0,0,0,0|2,0,0]=4 672 B7R1.1 COC1=NC=CS1 M2608 [1,1,0,0,0,0|0,0,0]=2 673 B7R1.1 CSC1=NC=CO1 M40164 [1,1,0,0,0,0|0,1,0]=3 674 B7R1.1 ClCC1=CN=CS1 C32421 [1,1,0,0,0,0|0,0,0]=2 675 B7R1.1 ClCC1=CNC=N1 C2088 [1,1,0,0,0,0|1,0,1]=4 676 B7R1.1 ClCC1=CSC=N1 C2334 [1,1,0,0,0,0|2,0,0]=4 677 B7R1.1 ClCC1=NC=CO1 C40107 [1,1,0,0,0,0|0,1,0]=3 678 B7R1.1 ClCC1=NOC=N1 C24041 [1,1,0,0,0,0|2,0,0]=4 679 B7R1.1 N#CC1=CC=CS1 T40685 [1,1,0,0,0,0|1,0,1]=4 680 B7R1.1 N#CC1=CN=CS1 T39999 [1,1,0,0,0,0|0,0,1]=3 681 B7R1.1 N#CC1=NC=CN1 I1797 [1,1,0,0,0,0|1,0,1]=4 682 B7R1.1 N#CC1=NC=CN1 I7356 [1,1,0,0,0,0|1,0,1]=4 683 B7R1.1 N#CC1=NC=CS1 C15601 [1,1,0,0,0,0|0,0,1]=3 684 B7R1.1 NCC1=CC=CN1 P41359 [1,1,0,0,0,0|1,0,1]=4 685 B7R1.1 NCC1=CC=CS1 A12813 [1,1,0,0,0,0|1,0,0]=3 686 B7R1.1 NCC1=CC=NO1 K40323 [1,1,0,0,0,0|2,0,0]=4 687 B7R1.1 NCC1=CN=CN1 A69377 [1,1,0,0,0,0|1,0,0]=3 688 B7R1.1 NCC1=CN=CO1 X11178 [1,1,0,0,0,0|0,1,0]=3 689 B7R1.1 NCC1=CN=CO1 X17340 [1,1,0,0,0,0|0,1,0]=3 690 B7R1.1 NCC1=CN=CS1 T11225 [1,1,0,0,0,0|0,0,0]=2 691 B7R1.1 NCC1=CN=CS1 T37607 [1,1,0,0,0,0|0,0,0]=2 692 B7R1.1 NCC1=CN=CS1 T40190 [1,1,0,0,0,0|0,0,0]=2 693 B7R1.1 NCC1=CNC=C1 P26218 [1,1,0,0,0,0|1,0,1]=4 694 B7R1.1 NCC1=CNC=N1 K40332 [1,1,0,0,0,0|1,0,1]=4 695 B7R1.1 NCC1=CNN=C1 A10475 [1,1,0,0,0,0|2,0,0]=4 696 B7R1.1 NCC1=CNN=C1 P17334 [1,1,0,0,0,0|2,0,0]=4 697 B7R1.1 NCC1=CNN=C1 P20267 [1,1,0,0,0,0|2,0,0]=4 698 B7R1.1 NCC1=COC=N1 A40322 [1,1,0,0,0,0|2,0,0]=4 699 B7R1.1 NCC1=COC=N1 O7924 [1,1,0,0,0,0|2,0,0]=4 700 B7R1.1 NCC1=COC=N1 X11296 [1,1,0,0,0,0|2,0,0]=4 701 B7R1.1 NCC1=CON=C1 A14706 [1,1,0,0,0,0|2,0,0]=4 702 B7R1.1 NCC1=CON=C1 I29534 [1,1,0,0,0,0|2,0,0]=4 703 B7R1.1 NCC1=CSC=C1 T41357 [1,1,0,0,0,0|2,0,0]=4 704 B7R1.1 NCC1=CSC=N1 T13924 [1,1,0,0,0,0|2,0,0]=4 705 B7R1.1 NCC1=CSC=N1 T29521 [1,1,0,0,0,0|2,0,0]=4 706 B7R1.1 NCC1=NC=CN1 A14237 [1,1,0,0,0,0|1,0,0]=3 707 B7R1.1 NCC1=NC=CN1 K40331 [1,1,0,0,0,0|1,0,0]=3 708 B7R1.1 NCC1=NC=CS1 A11223 [1,1,0,0,0,0|0,0,0]=2 709 B7R1.1 NCC1=NC=CS1 T11224 [1,1,0,0,0,0|0,0,0]=2 710 B7R1.1 NCC1=NC=CS1 T24256 [1,1,0,0,0,0|0,0,0]=2 711 B7R1.1 NCC1=NNC=C1 P9792 [1,1,0,0,0,0|2,0,0]=4 712 B7R1.1 NCC1=NOC=C1 I29536 [1,1,0,0,0,0|2,0,0]=4 713 B7R1.1 NCC1=NOC=C1 I7943 [1,1,0,0,0,0|2,0,0]=4 714 B7R1.1 NCC1=NSC=C1 I15218 [1,1,0,0,0,0|2,0,0]=4 715 B7R1.1 NNC1=NC=CS1 H39914 [1,1,0,0,0,0|1,0,0]=3 716 B7R1.1 O=CC1=CC=CS1 T68614 [1,1,0,0,0,0|1,0,1]=4 717 B7R1.1 O=CC1=CN=CO1 X11928 [1,1,0,0,0,0|0,1,1]=4 718 B7R1.1 O=CC1=CN=CS1 T2161 [1,1,0,0,0,0|0,0,1]=3 719 B7R1.1 O=CC1=NC=CN1 F2135 [1,1,0,0,0,0|1,0,1]=4 720 B7R1.1 O=CC1=NC=CS1 T2877 [1,1,0,0,0,0|0,0,1]=3 721 B7R1.1 OCC1=CC=CS1 T12815 [1,1,0,0,0,0|1,0,0]=3 722 B7R1.1 OCC1=CC=NO1 K40159 [1,1,0,0,0,0|2,0,0]=4 723 B7R1.1 OCC1=CN=CN1 I14077 [1,1,0,0,0,0|1,0,0]=3 724 B7R1.1 OCC1=CN=CO1 X14033 [1,1,0,0,0,0|0,1,0]=3 725 B7R1.1 OCC1=CN=CS1 T2166 [1,1,0,0,0,0|0,0,0]=2 726 B7R1.1 OCC1=CNC=N1 H2067 [1,1,0,0,0,0|1,0,1]=4 727 B7R1.1 OCC1=CNN=C1 H1729 [1,1,0,0,0,0|2,0,0]=4 728 B7R1.1 OCC1=COC=C1 F41115 [1,1,0,0,0,0|2,0,0]=4 729 B7R1.1 OCC1=COC=N1 O7923 [1,1,0,0,0,0|2,0,0]=4 730 B7R1.1 OCC1=CON=C1 H14705 [1,1,0,0,0,0|2,0,0]=4 731 B7R1.1 OCC1=CSC=C1 T12827 [1,1,0,0,0,0|2,0,0]=4 732 B7R1.1 OCC1=CSC=N1 T2165 [1,1,0,0,0,0|2,0,0]=4 733 B7R1.1 OCC1=NC=CN1 I38716 [1,1,0,0,0,0|1,0,0]=3 734 B7R1.1 OCC1=NC=CO1 X14019 [1,1,0,0,0,0|0,1,0]=3 735 B7R1.1 OCC1=NC=CS1 H3028 [1,1,0,0,0,0|0,0,0]=2 736 B7R1.1 OCC1=NC=NN1 T39912 [1,1,0,0,0,0|2,0,0]=4 737 B7R1.1 OCC1=NNC=C1 H7696 [1,1,0,0,0,0|2,0,0]=4 738 B7R1.1 OCC1=NOC=C1 I11321 [1,1,0,0,0,0|2,0,0]=4 739 B7R1.1 OCN1C=CC=N1 P9800 [1,1,0,0,0,0|2,0,0]=4 740 B7R1.1 OCN1C=NC=N1 T39855 [1,1,0,0,0,0|2,0,0]=4 741 B7R1.4 BrC1=C(Br)SC=C1 D39969 [1,1,0,0,0,0|2,0,0]=4 742 B7R1.4 BrC1=C(I)SC=C1 B39972 [1,1,0,0,0,0|2,0,0]=4 743 B7R1.4 CC1=C(Br)C=NN1 B12011 [1,1,0,0,0,0|2,0,0]=4 744 B7R1.4 CC1=C(Br)C=NO1 B40106 [1,1,0,0,0,0|2,0,0]=4 745 B7R1.4 CC1=C(Br)N=CS1 B61015 [1,1,0,0,0,0|0,0,0]=2 746 B7R1.4 CC1=C(Br)NC=N1 B40116 [1,1,0,0,0,0|1,0,1]=4 747 B7R1.4 CC1=C(Br)SC=C1 B12699 [1,1,0,0,0,0|2,0,0]=4 748 B7R1.4 CC1=C(Br)SC=N1 B5072 [1,1,0,0,0,0|1,0,0]=3 749 B7R1.4 CC1=C(C)NC=N1 D41358 [1,1,0,0,0,0|1,0,0]=3 750 B7R1.4 CC1=C(C)NC=N1 D43581 [1,1,0,0,0,0|1,0,0]=3 751 B7R1.4 CC1=C(C)SC=N1 D41175 [1,1,0,0,0,0|0,0,0]=2 752 B7R1.4 CC1=C(Cl)SC=C1 C39173 [1,1,0,0,0,0|2,0,0]=4 753 B7R1.4 CC1=C(I)NC=N1 K40125 [1,1,0,0,0,0|1,0,1]=4 754 B7R1.4 CC1=C(N)NN=C1 M13606 [1,1,0,0,0,0|2,0,0]=4 755 B7R1.4 CC1=C(N)ON=C1 M40180 [1,1,0,0,0,0|2,0,0]=4 756 B7R1.4 CC1=CC=NN1C D3267 [1,1,0,0,0,0|2,0,0]=4 757 B7R1.4 CC1=CNC=C1C D12050 [1,1,0,0,0,0|1,0,1]=4 758 B7R1.4 CC1=CNN=C1Br B10968 [1,1,0,0,0,0|2,0,0]=4 759 B7R1.4 CC1=CNN=C1C D22811 [1,1,0,0,0,0|2,0,0]=4 760 B7R1.4 CC1=CNN=C1C D60965 [1,1,0,0,0,0|2,0,0]=4 761 B7R1.4 CC1=CSC=C1Br B40866 [1,1,0,0,0,0|2,0,0]=4 762 B7R1.4 CC1=NNC=C1I K40121 [1,1,0,0,0,0|2,0,0]=4 763 B7R1.4 CC1=NOC=C1N M38991 [1,1,0,0,0,0|2,0,0]=4 764 B7R1.4 CC1=NON=C1N M61679 [1,1,0,0,0,0|2,0,0]=4 765 B7R1.4 CN1C=CN=C1Br B9674 [1,1,0,0,0,0|2,0,0]=4 766 B7R1.4 CN1C=CN=C1Cl C3018 [1,1,0,0,0,0|2,0,0]=4 767 B7R1.4 CN1C=CN=C1I I2903 [1,1,0,0,0,0|2,0,0]=4 768 B7R1.4 CN1C=CN=C1N M40330 [1,1,0,0,0,0|2,0,0]=4 769 B7R1.4 CN1C=CN=C1N M67646 [1,1,0,0,0,0|2,0,0]=4 770 B7R1.4 CN1C=NC=C1Br B2463 [1,1,0,0,0,0|2,0,0]=4 771 B7R1.4 CN1C=NC=C1Cl C40118 [1,1,0,0,0,0|2,0,0]=4 772 B7R1.4 CN1C=NC=C1I K2147 [1,1,0,0,0,0|2,0,0]=4 773 B7R1.4 CN1C=NC=C1N M38381 [1,1,0,0,0,0|2,0,0]=4 774 B7R1.4 CN1N=CC=C1I M9757 [1,1,0,0,0,0|2,0,0]=4 775 B7R1.4 CN1N=CC=C1N M12745 [1,1,0,0,0,0|2,0,0]=4 776 B7R1.4 CN1N=CC=C1O M23117 [1,1,0,0,0,0|2,0,0]=4 777 B7R1.4 CN1N=CN=C1Br B21698 [1,1,0,0,0,0|2,0,0]=4 778 B7R1.4 ClC1=C(Br)C=CS1 B37895 [1,1,0,0,0,0|2,0,0]=4 779 B7R1.4 ClC1=C(Br)SC=C1 B39970 [1,1,0,0,0,0|2,0,0]=4 780 B7R1.4 ClC1=C(Cl)NC=N1 D62394 [1,1,0,0,0,0|2,0,0]=4 781 B7R1.4 ClC1=C(I)SC=C1 C60404 [1,1,0,0,0,0|2,0,0]=4 782 B7R1.4 IC1=C(I)NC=N1 D2856 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [0,1,0,0,0,1|2,0,0]=4 784 B9R1.1 BrCC1=NC=C(Br)C=N1 B37593 [0,1,0,0,0,1|2,0,0]=4 785 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [0,1,0,0,0,1|1,0,1]=4 786 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [0,1,0,0,0,1|2,0,0]=4 787 B9R1.1 CC1=CC=C(CN)N=N1 M0158 [0,1,0,0,0,1|2,0,0]=4 788 B9R1.1 CC1=CC=C(CN)N=N1 M27037 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [0,1,0,0,0,1|2,0,0]=4 790 B9R1.1 CC1=CN=C(C#N)C=C1 C4792 [0,1,0,0,0,1|1,0,1]=4 791 B9R1.1 CC1=CN=C(C#N)C=N1 M42468 [0,1,0,0,0,1|1,0,1]=4 792 B9R1.1 CC1=CN=C(C#N)N=C1 M11787 [0,1,0,0,0,1|1,0,1]=4 793 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [0,1,0,0,0,1|1,0,1]=4 794 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [0,1,0,0,0,1|1,0,1]=4 795 B9R1.1 CC1=CN=C(C=O)N=C1 M11474 [0,1,0,0,0,1|1,0,1]=4 796 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [0,1,0,0,0,1|1,0,0]=3 797 B9R1.1 CC1=CN=C(CCl)C=N1 C11548 [0,1,0,0,0,1|1,0,0]=3 798 B9R1.1 CC1=CN=C(CCl)C=N1 C43004 [0,1,0,0,0,1|1,0,0]=3 799 B9R1.1 CC1=CN=C(CCl)N=C1 C14428 [0,1,0,0,0,1|1,0,0]=3 800 B9R1.1 CC1=CN=C(CCl)N=C1 C8015 [0,1,0,0,0,1|1,0,0]=3 801 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [0,1,0,0,0,1|1,0,0]=3 802 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [0,1,0,0,0,1|1,0,0]=3 803 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [0,1,0,0,0,1|1,0,0]=3 804 B9R1.1 CC1=CN=C(CN)N=C1 M11333 [0,1,0,0,0,1|1,0,0]=3 805 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [0,1,0,0,0,1|1,0,0]=3 806 B9R1.1 CC1=CN=C(CO)N=C1 H11473 [0,1,0,0,0,1|1,0,0]=3 807 B9R1.1 CC1=CN=C(NN)C=C1 H63578 [0,1,0,0,0,1|2,0,0]=4 808 B9R1.1 CC1=NC=C(C#N)C=C1 M12704 [0,1,0,0,0,1|1,0,1]=4 809 B9R1.1 CC1=NC=C(C#N)C=N1 M12702 [0,1,0,0,0,1|1,0,1]=4 810 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [0,1,0,0,0,1|1,0,1]=4 811 B9R1.1 CC1=NC=C(C=O)C=N1 M12382 [0,1,0,0,0,1|1,0,1]=4 812 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [0,1,0,0,0,1|1,0,0]=3 813 B9R1.1 CC1=NC=C(CBr)C=N1 B42978 [0,1,0,0,0,1|1,0,0]=3 814 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [0,1,0,0,0,1|1,0,0]=3 815 B9R1.1 CC1=NC=C(CCl)C=N1 C19650 [0,1,0,0,0,1|1,0,0]=3 816 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [0,1,0,0,0,1|1,0,0]=3 817 B9R1.1 CC1=NC=C(CN)C=N1 A1723 [0,1,0,0,0,1|1,0,0]=3 818 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [0,1,0,0,0,1|1,0,0]=3 819 B9R1.1 CC1=NC=C(CO)C=N1 H12381 [0,1,0,0,0,1|1,0,0]=3 820 B9R1.1 CC1=NC=C(NN)C=C1 H14024 [0,1,0,0,0,1|2,0,0]=4 821 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [0,1,0,0,0,1|2,0,0]=4 822 B9R1.1 CCC1=CN=C(Cl)N=C1 E11897 [0,1,0,0,0,1|2,0,0]=4 823 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [0,1,0,0,0,1|2,0,0]=4 824 B9R1.1 CCC1=CN=C(N)N=C1 E28664 [0,1,0,0,0,1|2,0,0]=4 825 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [0,1,0,0,0,1|2,0,0]=4 826 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [0,1,0,0,0,1|2,0,0]=4 827 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [0,1,0,0,0,1|2,0,0]=4 828 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [0,1,0,0,0,1|2,0,0]=4 829 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [0,1,0,0,0,1|2,0,0]=4 830 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [0,1,0,0,0,1|2,0,0]=4 831 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [0,1,0,0,0,1|1,0,0]=3 832 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [0,1,0,0,0,1|2,0,0]=4 833 B9R1.1 CNC1=NC=C(Br)C=N1 B41067 [0,1,0,0,0,1|2,0,0]=4 834 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [0,1,0,0,0,1|1,0,0]=3 835 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [0,1,0,0,0,1|2,0,0]=4 836 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [0,1,0,0,0,1|2,0,0]=4 837 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [0,1,0,0,0,1|2,0,0]=4 838 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [0,1,0,0,0,1|2,0,0]=4 839 B9R1.1 COC1=CN=C(Br)C=N1 B14594 [0,1,0,0,0,1|2,0,0]=4 840 B9R1.1 COC1=CN=C(Br)N=C1 B10519 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.1 COC1=CN=C(Cl)C=N1 C14595 [0,1,0,0,0,1|2,0,0]=4 843 B9R1.1 COC1=CN=C(Cl)N=C1 C10446 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.1 COC1=CN=C(F)C=C1 F42925 [0,1,0,0,0,1|2,0,0]=4 845 B9R1.1 COC1=CN=C(I)C=C1 I5931 [0,1,0,0,0,1|2,0,0]=4 846 B9R1.1 COC1=CN=C(N)C=C1 A10497 [0,1,0,0,0,1|2,0,0]=4 847 B9R1.1 COC1=CN=C(N)N=C1 A10520 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.1 COC1=NC=C(Br)C=N1 B2218 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.1 COC1=NC=C(C)C=C1 M67554 [0,1,0,0,0,1|1,0,0]=3 851 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [0,1,0,0,0,1|2,0,0]=4 852 B9R1.1 COC1=NC=C(Cl)C=N1 C40931 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.1 COC1=NC=C(F)C=C1 F24011 [0,1,0,0,0,1|2,0,0]=4 854 B9R1.1 COC1=NC=C(I)C=C1 K42935 [0,1,0,0,0,1|2,0,0]=4 855 B9R1.1 COC1=NC=C(I)C=N1 K40945 [0,1,0,0,0,1|2,0,0]=4 856 B9R1.1 COC1=NC=C(N)C=C1 A12692 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.1 COC1=NC=C(N)C=N1 M24312 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.1 COC1=NC=C(N)N=C1 M9733 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.1 COC1=NC=C(O)C=C1 H43140 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.1 COC1=NN=C(C)C=C1 M43203 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.1 CSC1=CN=C(Br)C=N1 B40873 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.1 CSC1=CN=C(Cl)N=C1 C40880 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.1 CSC1=CN=C(N)C=C1 A43262 [0,1,0,0,0,1|2,0,0]=4 864 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [0,1,0,0,0,1|2,0,0]=4 865 B9R1.1 CSC1=NC=C(Br)C=N1 B2361 [0,1,0,0,0,1|2,0,0]=4 866 B9R1.1 CSC1=NC=C(Cl)C=N1 C23410 [0,1,0,0,0,1|2,0,0]=4 867 B9R1.1 CSC1=NC=C(O)C=N1 M41048 [0,1,0,0,0,1|2,0,0]=4 868 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [0,1,0,0,0,1|2,0,0]=4 869 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [0,1,0,0,0,1|2,0,0]=4 870 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [0,1,0,0,0,1|2,0,0]=4 871 B9R1.1 ClCC1=CN=C(Cl)C=N1 C40730 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.1 ClCC1=CN=C(Cl)N=C1 C11483 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [0,1,0,0,0,1|2,0,0]=4 874 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.1 ClCC1=NC=C(Br)C=N1 B14442 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.1 ClCC1=NC=C(Cl)C=N1 C14440 [0,1,0,0,0,1|2,0,0]=4 879 B9R1.1 FC1=CN=C(CCl)N=C1 C31600 [0,1,0,0,0,1|2,0,0]=4 880 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [0,1,0,0,0,1|2,0,0]=4 881 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [0,1,0,0,0,1|2,0,0]=4 882 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [0,1,0,0,0,1|2,0,0]=4 883 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [0,1,0,0,0,1|2,0,0]=4 884 B9R1.1 NC1=NC=C(CO)C=N1 A11298 [0,1,0,0,0,1|2,0,0]=4 885 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [0,1,0,0,0,1|2,0,0]=4 886 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [0,1,0,0,0,1|2,0,0]=4 887 B9R1.1 NCC1=CN=C(Cl)N=C1 C7926 [0,1,0,0,0,1|2,0,0]=4 888 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [0,1,0,0,0,1|2,0,0]=4 889 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [0,1,0,0,0,1|2,0,0]=4 890 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [0,1,0,0,0,1|2,0,0]=4 891 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [0,1,0,0,0,1|2,0,0]=4 892 B9R1.1 NCC1=NC=C(Br)C=N1 B11273 [0,1,0,0,0,1|2,0,0]=4 893 B9R1.1 NCC1=NC=C(Br)C=N1 B29572 [0,1,0,0,0,1|2,0,0]=4 894 B9R1.1 NCC1=NC=C(Br)C=N1 B41070 [0,1,0,0,0,1|2,0,0]=4 895 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [0,1,0,0,0,1|2,0,0]=4 896 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [0,1,0,0,0,1|2,0,0]=4 897 B9R1.1 NCC1=NC=C(F)C=N1 F14038 [0,1,0,0,0,1|2,0,0]=4 898 B9R1.1 NCC1=NC=C(F)C=N1 F29609 [0,1,0,0,0,1|2,0,0]=4 899 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [0,1,0,0,0,1|2,0,0]=4 900 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [0,1,0,0,0,1|2,0,0]=4 901 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [0,1,0,0,0,1|2,0,0]=4 902 B9R1.1 OCC1=CN=C(Cl)C=N1 C1534 [0,1,0,0,0,1|2,0,0]=4 903 B9R1.1 OCC1=CN=C(Cl)N=C1 C1532 [0,1,0,0,0,1|2,0,0]=4 904 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [0,1,0,0,0,1|2,0,0]=4 905 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [0,1,0,0,0,1|2,0,0]=4 906 B9R1.1 OCC1=NC=C(Br)C=N1 B14040 [0,1,0,0,0,1|2,0,0]=4 907 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [0,1,0,0,0,1|2,0,0]=4 908 B9R1.1 OCC1=NC=C(Cl)C=N1 C14437 [0,1,0,0,0,1|2,0,0]=4 909 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [0,1,0,0,0,1|2,0,0]=4 910 B9R1.1 OCC1=NC=C(F)C=N1 F11272 [0,1,0,0,0,1|2,0,0]=4 911 B9R1.69 CC1=C(Br)C=C(Br)C=N1 D15335 [0,1,0,0,0,1|2,0,0]=4 912 B9R1.69 CC1=C(Br)C=C(Cl)N=C1 B9888 [0,1,0,0,0,1|2,0,0]=4 913 B9R1.69 CC1=C(Br)C=C(N)C=N1 B0530 [0,1,0,0,0,1|2,0,0]=4 914 B9R1.69 CC1=C(Br)C=C(N)N=C1 B16154 [0,1,0,0,0,1|2,0,0]=4 915 B9R1.69 CC1=C(Br)C=C(O)C=N1 B22011 [0,1,0,0,0,1|2,0,0]=4 916 B9R1.69 CC1=C(Br)N=C(Br)N=C1 D40704 [0,1,0,0,0,1|2,0,0]=4 917 B9R1.69 CC1=C(C)N=C(Br)C=N1 B42969 [0,1,0,0,0,1|2,0,0]=4 918 B9R1.69 CC1=C(C)N=C(Cl)C=C1 C46102 [0,1,0,0,0,1|2,0,0]=4 919 B9R1.69 CC1=C(C)N=C(Cl)C=N1 C42990 [0,1,0,0,0,1|2,0,0]=4 920 B9R1.69 CC1=C(C)N=C(N)C=C1 D24371 [0,1,0,0,0,1|2,0,0]=4 921 B9R1.69 CC1=C(C)N=C(N)C=N1 D24637 [0,1,0,0,0,1|2,0,0]=4 922 B9R1.69 CC1=C(C)N=C(N)N=C1 D43338 [0,1,0,0,0,1|2,0,0]=4 923 B9R1.69 CC1=C(C)NC(=O)C=N1 D43209 [0,1,0,0,0,1|2,0,0]=4 924 B9R1.69 CC1=C(Cl)C=C(N)N=C1 C42997 [0,1,0,0,0,1|2,0,0]=4 925 B9R1.69 CC1=C(Cl)C=C(O)C=N1 C42908 [0,1,0,0,0,1|2,0,0]=4 926 B9R1.69 CC1=C(Cl)N=C(Cl)N=C1 D4933 [0,1,0,0,0,1|2,0,0]=4 927 B9R1.69 CC1=C(I)C=C(Cl)N=C1 C42582 [0,1,0,0,0,1|2,0,0]=4 928 B9R1.69 CC1=C(I)C=C(F)N=C1 F1115 [0,1,0,0,0,1|2,0,0]=4 929 B9R1.69 CC1=C(I)C=C(N)N=C1 I37305 [0,1,0,0,0,1|2,0,0]=4 930 B9R1.69 CC1=C(N)N=C(Br)C=C1 B26268 [0,1,0,0,0,1|2,0,0]=4 931 B9R1.69 CC1=C(N)N=C(Cl)N=C1 A3364 [0,1,0,0,0,1|2,0,0]=4 932 B9R1.69 CC1=CC(Br)=C(C)C=C1 D39511 [0,1,0,0,0,1|2,0,0]=4 933 B9R1.69 CC1=CC(Br)=C(C)C=N1 B46084 [0,1,0,0,0,1|1,0,0]=3 934 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 B17532 [0,1,0,0,0,1|2,0,0]=4 935 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 B42532 [0,1,0,0,0,1|2,0,0]=4 936 B9R1.69 CC1=CC(Br)=C(F)C=N1 B32009 [0,1,0,0,0,1|2,0,0]=4 937 B9R1.69 CC1=CC(Br)=C(F)N=C1 B2994 [0,1,0,0,0,1|2,0,0]=4 938 B9R1.69 CC1=CC(Br)=C(N)N=C1 B21800 [0,1,0,0,0,1|2,0,0]=4 939 B9R1.69 CC1=CC(Br)=C(O)C=N1 B42884 [0,1,0,0,0,1|2,0,0]=4 940 B9R1.69 CC1=CC(Br)=C(O)N=C1 B21801 [0,1,0,0,0,1|2,0,0]=4 941 B9R1.69 CC1=CC(Br)=CN=C1C B46085 [0,1,0,0,0,1|2,0,0]=4 942 B9R1.69 CC1=CC(C)=C(Br)C=N1 B46086 [0,1,0,0,0,1|2,0,0]=4 943 B9R1.69 CC1=CC(Cl)=C(Br)C=N1 B12057 [0,1,0,0,0,1|2,0,0]=4 944 B9R1.69 CC1=CC(Cl)=C(N)N=C1 C61779 [0,1,0,0,0,1|2,0,0]=4 945 B9R1.69 CC1=CC(F)=C(C)C=C1 F49165 [0,1,0,0,0,1|2,0,0]=4 946 B9R1.69 CC1=CC(F)=C(N)N=C1 F43015 [0,1,0,0,0,1|2,0,0]=4 947 B9R1.69 CC1=CC(I)=C(F)N=C1 F6510 [0,1,0,0,0,1|2,0,0]=4 948 B9R1.69 CC1=CC(I)=C(N)N=C1 I29765 [0,1,0,0,0,1|2,0,0]=4 949 B9R1.69 CC1=CC(N)=C(Br)C=N1 A1741 [0,1,0,0,0,1|2,0,0]=4 950 B9R1.69 CC1=CC(N)=C(Cl)C=N1 C26973 [0,1,0,0,0,1|2,0,0]=4 951 B9R1.69 CC1=CC(N)=C(I)C=N1 K43023 [0,1,0,0,0,1|2,0,0]=4 952 B9R1.69 CC1=CC(N)=CN=C1C D43613 [0,1,0,0,0,1|2,0,0]=4 953 B9R1.69 CC1=CC(O)=C(Br)C=N1 B42886 [0,1,0,0,0,1|2,0,0]=4 954 B9R1.69 CC1=CC([Mg+])=C(C)C=C1 D31736 [0,1,0,0,0,1|2,0,0]=4 955 B9R1.69 CC1=CC=C(Br)C(Br)=N1 D42515 [0,1,0,0,0,1|2,0,0]=4 956 B9R1.69 CC1=CC=C(C)C(N)=N1 D43611 [0,1,0,0,0,1|1,0,0]=3 957 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 D42559 [0,1,0,0,0,1|2,0,0]=4 958 B9R1.69 CC1=CC=C(Cl)N=C1Cl D24399 [0,1,0,0,0,1|2,0,0]=4 959 B9R1.69 CC1=CC=C(F)C(Br)=N1 B23352 [0,1,0,0,0,1|2,0,0]=4 960 B9R1.69 CC1=CC=C(F)C(Cl)=N1 C42573 [0,1,0,0,0,1|2,0,0]=4 961 B9R1.69 CC1=CC=C(F)N=C1Br B17536 [0,1,0,0,0,1|2,0,0]=4 962 B9R1.69 CC1=CC=C(N)C(Br)=N1 B37081 [0,1,0,0,0,1|2,0,0]=4 963 B9R1.69 CC1=CC=C(N)C(C)=N1 D43608 [0,1,0,0,0,1|2,0,0]=4 964 B9R1.69 CC1=CC=C(N)C(Cl)=N1 A42987 [0,1,0,0,0,1|2,0,0]=4 965 B9R1.69 CC1=CC=C(N)C(I)=N1 K43022 [0,1,0,0,0,1|2,0,0]=4 966 B9R1.69 CC1=CC=C(N)N=C1Br B26269 [0,1,0,0,0,1|2,0,0]=4 967 B9R1.69 CC1=CC=C(N)N=C1Cl C23697 [0,1,0,0,0,1|2,0,0]=4 968 B9R1.69 CC1=CC=C(N)N=C1N M43333 [0,1,0,0,0,1|2,0,0]=4 969 B9R1.69 CC1=CC=C(O)C(Br)=N1 B1020 [0,1,0,0,0,1|2,0,0]=4 970 B9R1.69 CC1=CC=C(O)C(F)=N1 F42928 [0,1,0,0,0,1|2,0,0]=4 971 B9R1.69 CC1=CC=C(O)C(I)=N1 H37772 [0,1,0,0,0,1|2,0,0]=4 972 B9R1.69 CC1=CN=C(Br)C(Br)=C1 D42517 [0,1,0,0,0,1|2,0,0]=4 973 B9R1.69 CC1=CN=C(Br)C(C)=C1 B46080 [0,1,0,0,0,1|2,0,0]=4 974 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 B42530 [0,1,0,0,0,1|2,0,0]=4 975 B9R1.69 CC1=CN=C(Br)C(F)=C1 B13540 [0,1,0,0,0,1|2,0,0]=4 976 B9R1.69 CC1=CN=C(Br)C(N)=C1 A42977 [0,1,0,0,0,1|2,0,0]=4 977 B9R1.69 CC1=CN=C(Br)C=C1Br D32049 [0,1,0,0,0,1|2,0,0]=4 978 B9R1.69 CC1=CN=C(Br)C=C1Cl B37311 [0,1,0,0,0,1|2,0,0]=4 979 B9R1.69 CC1=CN=C(Br)C=C1N B25405 [0,1,0,0,0,1|2,0,0]=4 980 B9R1.69 CC1=CN=C(C)C(C)=C1 T39433 [0,1,0,0,0,1|1,0,0]=3 981 B9R1.69 CC1=CN=C(C)C(Cl)=N1 C42989 [0,1,0,0,0,1|1,0,0]=3 982 B9R1.69 CC1=CN=C(C)C(I)=N1 K43021 [0,1,0,0,0,1|1,0,0]=3 983 B9R1.69 CC1=CN=C(C)C(N)=N1 D32397 [0,1,0,0,0,1|1,0,0]=3 984 B9R1.69 CC1=CN=C(C)C=C1N D22447 [0,1,0,0,0,1|1,0,0]=3 985 B9R1.69 CC1=CN=C(C)N=C1N D43337 [0,1,0,0,0,1|1,0,0]=3 986 B9R1.69 CC1=CN=C(Cl)C(C)=N1 C42988 [0,1,0,0,0,1|2,0,0]=4 987 B9R1.69 CC1=CN=C(Cl)C(Cl)=C1 D42558 [0,1,0,0,0,1|2,0,0]=4 988 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 D40725 [0,1,0,0,0,1|2,0,0]=4 989 B9R1.69 CC1=CN=C(Cl)C(F)=C1 C42572 [0,1,0,0,0,1|2,0,0]=4 990 B9R1.69 CC1=CN=C(Cl)C(N)=C1 C42993 [0,1,0,0,0,1|2,0,0]=4 991 B9R1.69 CC1=CN=C(Cl)C(N)=N1 C39122 [0,1,0,0,0,1|2,0,0]=4 992 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C42904 [0,1,0,0,0,1|2,0,0]=4 993 B9R1.69 CC1=CN=C(Cl)C=C1Cl D38063 [0,1,0,0,0,1|2,0,0]=4 994 B9R1.69 CC1=CN=C(Cl)C=C1F C37310 [0,1,0,0,0,1|2,0,0]=4 995 B9R1.69 CC1=CN=C(Cl)C=C1N C25406 [0,1,0,0,0,1|2,0,0]=4 996 B9R1.69 CC1=CN=C(I)C(C)=N1 K63360 [0,1,0,0,0,1|2,0,0]=4 997 B9R1.69 CC1=CN=C(N)C(=O)N1 A41143 [0,1,0,0,0,1|2,0,0]=4 998 B9R1.69 CC1=CN=C(N)C(Br)=N1 B41061 [0,1,0,0,0,1|2,0,0]=4 999 B9R1.69 CC1=CN=C(N)C(C)=C1 D43610 [0,1,0,0,0,1|2,0,0]=4 1000 B9R1.69 CC1=CN=C(N)C(Cl)=N1 C41076 [0,1,0,0,0,1|2,0,0]=4 1001 B9R1.69 CC1=CN=C(N)C(N)=C1 D43331 [0,1,0,0,0,1|2,0,0]=4 1002 B9R1.69 CC1=CN=C(N)C=C1C D43612 [0,1,0,0,0,1|2,0,0]=4 1003 B9R1.69 CC1=CN=C(N)N=C1Cl C10001 [0,1,0,0,0,1|2,0,0]=4 1004 B9R1.69 CC1=CN=C(N)NC1=O A63134 [0,1,0,0,0,1|2,0,0]=4 1005 B9R1.69 CC1=CN=C(O)C=C1N A43204 [0,1,0,0,0,1|2,0,0]=4 1006 B9R1.69 CC1=CNC(=O)C(C)=N1 D69506 [0,1,0,0,0,1|2,0,0]=4 1007 B9R1.69 CC1=CNC(=O)C(Cl)=N1 C40933 [0,1,0,0,0,1|2,0,0]=4 1008 B9R1.69 CC1=NC(C)=C(Br)C=C1 B46082 [0,1,0,0,0,1|2,0,0]=4 1009 B9R1.69 CC1=NC(C)=C(Br)C=N1 B42971 [0,1,0,0,0,1|2,0,0]=4 1010 B9R1.69 CC1=NC(C)=C(N)C=N1 D43336 [0,1,0,0,0,1|2,0,0]=4 1011 B9R1.69 CC1=NC(C)=C(O)C=C1 D67987 [0,1,0,0,0,1|2,0,0]=4 1012 B9R1.69 CC1=NC(C)=C(O)C=N1 D43192 [0,1,0,0,0,1|2,0,0]=4 1013 B9R1.69 CC1=NC(Cl)=C(Br)C=C1 B42526 [0,1,0,0,0,1|2,0,0]=4 1014 B9R1.69 CC1=NC(Cl)=C(Br)C=N1 B25786 [0,1,0,0,0,1|2,0,0]=4 1015 B9R1.69 CC1=NC(F)=C(Br)C=C1 B42546 [0,1,0,0,0,1|2,0,0]=4 1016 B9R1.69 CC1=NC(F)=C(I)C=C1 F42594 [0,1,0,0,0,1|2,0,0]=4 1017 B9R1.69 CC1=NC(N)=C(Br)C=C1 B18303 [0,1,0,0,0,1|2,0,0]=4 1018 B9R1.69 CC1=NC(N)=C(Br)C=N1 B41065 [0,1,0,0,0,1|2,0,0]=4 1019 B9R1.69 CC1=NC(N)=C(Cl)C=N1 C41080 [0,1,0,0,0,1|2,0,0]=4 1020 B9R1.69 CC1=NC(N)=C(F)C=N1 F41083 [0,1,0,0,0,1|2,0,0]=4 1021 B9R1.69 CC1=NC(N)=C(I)C=C1 K61473 [0,1,0,0,0,1|2,0,0]=4 1022 B9R1.69 CC1=NC(N)=C(O)C=C1 A43201 [0,1,0,0,0,1|2,0,0]=4 1023 B9R1.69 CC1=NC(O)=C(Br)C=C1 B42882 [0,1,0,0,0,1|2,0,0]=4 1024 B9R1.69 CC1=NC(O)=C(Br)C=N1 B40917 [0,1,0,0,0,1|2,0,0]=4 1025 B9R1.69 CC1=NC(O)=C(F)C=N1 F40940 [0,1,0,0,0,1|2,0,0]=4 1026 B9R1.69 CC1=NC=C(Br)C=C1Cl B8062 [0,1,0,0,0,1|2,0,0]=4 1027 B9R1.69 CC1=NC=C(Br)C=C1F B16887 [0,1,0,0,0,1|2,0,0]=4 1028 B9R1.69 CC1=NC=C(Br)C=C1N A0082 [0,1,0,0,0,1|2,0,0]=4 1029 B9R1.69 CC1=NC=C(Br)C=C1O B42885 [0,1,0,0,0,1|2,0,0]=4 1030 B9R1.69 CC1=NC=C(Cl)C(=O)N1 C40935 [0,1,0,0,0,1|2,0,0]=4 1031 B9R1.69 CC1=NC=C(Cl)C(Cl)=N1 D40727 [0,1,0,0,0,1|2,0,0]=4 1032 B9R1.69 CC1=NC=C(Cl)C=C1N A1755 [0,1,0,0,0,1|2,0,0]=4 1033 B9R1.69 CC1=NC=C(F)C(Cl)=N1 C36910 [0,1,0,0,0,1|2,0,0]=4 1034 B9R1.69 CC1=NC=C(N)C(Cl)=N1 C41079 [0,1,0,0,0,1|2,0,0]=4 1035 B9R1.69 CC1=NC=C(N)N=C1Br B41063 [0,1,0,0,0,1|2,0,0]=4 1036 B9R1.2 BrCC1=CC(Br)=NC=C1 B36914 [0,1,0,0,0,1|2,0,0]=4 1037 B9R1.2 BrCC1=CC(Br)=NC=C1 B42520 [0,1,0,0,0,1|2,0,0]=4 1038 B9R1.2 CC1=CC(C#N)=CN=C1 M45202 [0,1,0,0,0,1|1,0,1]=4 1039 B9R1.2 CC1=CC(C#N)=NC=C1 M3710 [0,1,0,0,0,1|1,0,1]=4 1040 B9R1.2 CC1=CC(C#N)=NN=C1 M15410 [0,1,0,0,0,1|1,0,1]=4 1041 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [0,1,0,0,0,1|1,0,1]=4 1042 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [0,1,0,0,0,1|1,0,1]=4 1043 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [0,1,0,0,0,1|1,0,0]=3 1044 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [0,1,0,0,0,1|1,0,0]=3 1045 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [0,1,0,0,0,1|1,0,0]=3 1046 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [0,1,0,0,0,1|1,0,0]=3 1047 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [0,1,0,0,0,1|1,0,0]=3 1048 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [0,1,0,0,0,1|1,0,0]=3 1049 B9R1.2 CC1=CC(CO)=NC=N1 M11486 [0,1,0,0,0,1|1,0,0]=3 1050 B9R1.2 CC1=CC(CO)=NN=C1 M27710 [0,1,0,0,0,1|1,0,0]=3 1051 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [0,1,0,0,0,1|2,0,0]=4 1052 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [0,1,0,0,0,1|2,0,0]=4 1053 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [0,1,0,0,0,1|2,0,0]=4 1054 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [0,1,0,0,0,1|2,0,0]=4 1055 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [0,1,0,0,0,1|2,0,0]=4 1056 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [0,1,0,0,0,1|2,0,0]=4 1057 B9R1.2 CC1=CC=NC(C#N)=N1 M14134 [0,1,0,0,0,1|1,0,1]=4 1058 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [0,1,0,0,0,1|1,0,1]=4 1059 B9R1.2 CC1=CC=NC(CCl)=N1 C11471 [0,1,0,0,0,1|1,0,0]=3 1060 B9R1.2 CC1=CC=NC(CN)=N1 A14426 [0,1,0,0,0,1|1,0,0]=3 1061 B9R1.2 CC1=CC=NC(CN)=N1 M29730 [0,1,0,0,0,1|1,0,0]=3 1062 B9R1.2 CC1=CC=NC(CO)=N1 H11472 [0,1,0,0,0,1|1,0,0]=3 1063 B9R1.2 CC1=CN=CC(C#N)=N1 M42469 [0,1,0,0,0,1|1,0,1]=4 1064 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [0,1,0,0,0,1|1,0,1]=4 1065 B9R1.2 CC1=CN=CC(CCl)=N1 C43005 [0,1,0,0,0,1|1,0,0]=3 1066 B9R1.2 CC1=CN=NC(CN)=C1 A13026 [0,1,0,0,0,1|1,0,0]=3 1067 B9R1.2 CC1=CN=NC(CN)=C1 M27097 [0,1,0,0,0,1|1,0,0]=3 1068 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [0,1,0,0,0,1|1,0,1]=4 1069 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [0,1,0,0,0,1|1,0,1]=4 1070 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [0,1,0,0,0,1|1,0,0]=3 1071 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [0,1,0,0,0,1|1,0,0]=3 1072 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [0,1,0,0,0,1|1,0,0]=3 1073 B9R1.2 CCC1=CC(=O)NC=N1 E43198 [0,1,0,0,0,1|2,0,0]=4 1074 B9R1.2 CCC1=CC(=O)NN=C1 E43197 [0,1,0,0,0,1|2,0,0]=4 1075 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [0,1,0,0,0,1|2,0,0]=4 1076 B9R1.2 CCC1=CC(Cl)=NC=N1 C69336 [0,1,0,0,0,1|2,0,0]=4 1077 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [0,1,0,0,0,1|2,0,0]=4 1078 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [0,1,0,0,0,1|2,0,0]=4 1079 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [0,1,0,0,0,1|2,0,0]=4 1080 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [0,1,0,0,0,1|2,0,0]=4 1081 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [0,1,0,0,0,1|2,0,0]=4 1082 B9R1.2 CNC1=CC(Br)=NC=C1 B25633 [0,1,0,0,0,1|2,0,0]=4 1083 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [0,1,0,0,0,1|2,0,0]=4 1084 B9R1.2 CNC1=CC(Cl)=NC=N1 C24771 [0,1,0,0,0,1|2,0,0]=4 1085 B9R1.2 CNC1=CC=NC(Cl)=N1 C41077 [0,1,0,0,0,1|2,0,0]=4 1086 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [0,1,0,0,0,1|2,0,0]=4 1087 B9R1.2 CNC1=NC=CC(Br)=C1 B23788 [0,1,0,0,0,1|2,0,0]=4 1088 B9R1.2 CNC1=NC=CC(Br)=N1 B41064 [0,1,0,0,0,1|2,0,0]=4 1089 B9R1.2 CNC1=NC=CC(Cl)=N1 C22466 [0,1,0,0,0,1|2,0,0]=4 1090 B9R1.2 CNC1=NC=CC(N)=C1 M43544 [0,1,0,0,0,1|2,0,0]=4 1091 B9R1.2 COC1=CC(=O)NC=N1 M41034 [0,1,0,0,0,1|2,0,0]=4 1092 B9R1.2 COC1=CC(=O)NN=C1 M17895 [0,1,0,0,0,1|2,0,0]=4 1093 B9R1.2 COC1=CC(Br)=CN=C1 B2876 [0,1,0,0,0,1|2,0,0]=4 1094 B9R1.2 COC1=CC(Br)=NC=C1 B9053 [0,1,0,0,0,1|2,0,0]=4 1095 B9R1.2 COC1=CC(Br)=NC=N1 B40914 [0,1,0,0,0,1|2,0,0]=4 1096 B9R1.2 COC1=CC(C)=NC=C1 M22575 [0,1,0,0,0,1|1,0,0]=3 1097 B9R1.2 COC1=CC(Cl)=NC=C1 C5269 [0,1,0,0,0,1|2,0,0]=4 1098 B9R1.2 COC1=CC(Cl)=NC=N1 C2357 [0,1,0,0,0,1|2,0,0]=4 1099 B9R1.2 COC1=CC(Cl)=NN=C1 C11516 [0,1,0,0,0,1|2,0,0]=4 1100 B9R1.2 COC1=CC(F)=NC=C1 F21874 [0,1,0,0,0,1|2,0,0]=4 1101 B9R1.2 COC1=CC(I)=NC=N1 I2358 [0,1,0,0,0,1|2,0,0]=4 1102 B9R1.2 COC1=CC(N)=NC=C1 A43189 [0,1,0,0,0,1|2,0,0]=4 1103 B9R1.2 COC1=CC=NC(Br)=N1 B38735 [0,1,0,0,0,1|2,0,0]=4 1104 B9R1.2 COC1=CC=NC(Cl)=N1 C40928 [0,1,0,0,0,1|2,0,0]=4 1105 B9R1.2 COC1=CC=NC(I)=N1 K40943 [0,1,0,0,0,1|2,0,0]=4 1106 B9R1.2 COC1=CN=CC(Cl)=N1 C2454 [0,1,0,0,0,1|2,0,0]=4 1107 B9R1.2 COC1=CN=CC(I)=N1 I2676 [0,1,0,0,0,1|2,0,0]=4 1108 B9R1.2 COC1=CN=CC(N)=C1 A14114 [0,1,0,0,0,1|2,0,0]=4 1109 B9R1.2 COC1=CN=CC(N)=C1 A7930 [0,1,0,0,0,1|2,0,0]=4 1110 B9R1.2 COC1=CN=CC(O)=C1 M43136 [0,1,0,0,0,1|2,0,0]=4 1111 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,1,0,0,0,1|2,0,0]=4 1112 B9R1.2 COC1=NC(C)=CC=N1 M43202 [0,1,0,0,0,1|1,0,0]=3 1113 B9R1.2 COC1=NC(C)=NC=C1 M43205 [0,1,0,0,0,1|1,0,0]=3 1114 B9R1.2 COC1=NC(N)=CC=N1 A4018 [0,1,0,0,0,1|2,0,0]=4 1115 B9R1.2 COC1=NC(N)=CN=C1 A8995 [0,1,0,0,0,1|2,0,0]=4 1116 B9R1.2 COC1=NC(N)=NC=C1 M0076 [0,1,0,0,0,1|2,0,0]=4 1117 B9R1.2 COC1=NC(N)=NC=N1 M37452 [0,1,0,0,0,1|2,0,0]=4 1118 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [0,1,0,0,0,1|2,0,0]=4 1119 B9R1.2 COC1=NC=CC(Br)=N1 B5967 [0,1,0,0,0,1|2,0,0]=4 1120 B9R1.2 COC1=NC=CC(C)=C1 M46379 [0,1,0,0,0,1|1,0,0]=3 1121 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [0,1,0,0,0,1|2,0,0]=4 1122 B9R1.2 COC1=NC=CC(Cl)=N1 C40930 [0,1,0,0,0,1|2,0,0]=4 1123 B9R1.2 COC1=NC=CC(F)=C1 F42927 [0,1,0,0,0,1|2,0,0]=4 1124 B9R1.2 COC1=NC=CC(I)=C1 K60534 [0,1,0,0,0,1|2,0,0]=4 1125 B9R1.2 COC1=NC=CC(N)=C1 M3947 [0,1,0,0,0,1|2,0,0]=4 1126 B9R1.2 COC1=NC=CC(O)=C1 M38428 [0,1,0,0,0,1|2,0,0]=4 1127 B9R1.2 COC1=NC=NC(C)=C1 M43206 [0,1,0,0,0,1|1,0,0]=3 1128 B9R1.2 COC1=NC=NC(Cl)=N1 C37442 [0,1,0,0,0,1|2,0,0]=4 1129 B9R1.2 COC1=NC=NC(N)=C1 A12998 [0,1,0,0,0,1|2,0,0]=4 1130 B9R1.2 CSC1=CC(Br)=NC=N1 B40875 [0,1,0,0,0,1|2,0,0]=4 1131 B9R1.2 CSC1=CC(Cl)=NC=N1 C2896 [0,1,0,0,0,1|2,0,0]=4 1132 B9R1.2 CSC1=CC(I)=NC=N1 I10030 [0,1,0,0,0,1|2,0,0]=4 1133 B9R1.2 CSC1=CC=NC(Cl)=N1 C2667 [0,1,0,0,0,1|2,0,0]=4 1134 B9R1.2 CSC1=NC(O)=CC=N1 M5030 [0,1,0,0,0,1|2,0,0]=4 1135 B9R1.2 CSC1=NC=CC(Br)=N1 B40874 [0,1,0,0,0,1|2,0,0]=4 1136 B9R1.2 CSC1=NC=CC(Cl)=C1 C42846 [0,1,0,0,0,1|2,0,0]=4 1137 B9R1.2 CSC1=NC=CC(Cl)=N1 C2497 [0,1,0,0,0,1|2,0,0]=4 1138 B9R1.2 CSC1=NC=CC(I)=N1 I2674 [0,1,0,0,0,1|2,0,0]=4 1139 B9R1.2 ClC1=NC=CC(CBr)=C1 B42538 [0,1,0,0,0,1|2,0,0]=4 1140 B9R1.2 ClCC1=CC(Br)=CN=C1 B15185 [0,1,0,0,0,1|2,0,0]=4 1141 B9R1.2 ClCC1=CC(Cl)=CN=C1 C1777 [0,1,0,0,0,1|2,0,0]=4 1142 B9R1.2 ClCC1=CC(Cl)=NC=C1 C12077 [0,1,0,0,0,1|2,0,0]=4 1143 B9R1.2 ClCC1=NC=CC(Cl)=C1 C32395 [0,1,0,0,0,1|2,0,0]=4 1144 B9R1.2 FC1=CC(CBr)=CN=C1 B37165 [0,1,0,0,0,1|2,0,0]=4 1145 B9R1.2 FC1=CC(CCl)=CN=C1 C1821 [0,1,0,0,0,1|2,0,0]=4 1146 B9R1.2 NC1=CC(CO)=CN=C1 A43207 [0,1,0,0,0,1|2,0,0]=4 1147 B9R1.2 NC1=CC(CO)=NC=C1 A15900 [0,1,0,0,0,1|2,0,0]=4 1148 B9R1.2 NC1=NC=CC(CO)=C1 A10460 [0,1,0,0,0,1|2,0,0]=4 1149 B9R1.2 NC1=NC=CC(CO)=N1 A38214 [0,1,0,0,0,1|2,0,0]=4 1150 B9R1.2 NCC1=CC(=O)N=CN1 A0948 [0,1,0,0,0,1|2,0,0]=4 1151 B9R1.2 NCC1=CC(Br)=NC=C1 B25759 [0,1,0,0,0,1|2,0,0]=4 1152 B9R1.2 NCC1=CC(Cl)=NC=C1 A10467 [0,1,0,0,0,1|2,0,0]=4 1153 B9R1.2 NCC1=CC(Cl)=NC=C1 C30000 [0,1,0,0,0,1|2,0,0]=4 1154 B9R1.2 NCC1=CC(F)=CN=C1 F5829 [0,1,0,0,0,1|2,0,0]=4 1155 B9R1.2 NCC1=CC(F)=NC=C1 F43572 [0,1,0,0,0,1|2,0,0]=4 1156 B9R1.2 NCC1=CC(F)=NC=C1 F61414 [0,1,0,0,0,1|2,0,0]=4 1157 B9R1.2 NCC1=CC(N)=NC=C1 A43343 [0,1,0,0,0,1|2,0,0]=4 1158 B9R1.2 NCC1=CC(N)=NC=N1 A0583 [0,1,0,0,0,1|2,0,0]=4 1159 B9R1.2 NCC1=CC=NC(Cl)=N1 C29619 [0,1,0,0,0,1|2,0,0]=4 1160 B9R1.2 NCC1=CN=CC(Cl)=N1 C18971 [0,1,0,0,0,1|2,0,0]=4 1161 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [0,1,0,0,0,1|2,0,0]=4 1162 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [0,1,0,0,0,1|2,0,0]=4 1163 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [0,1,0,0,0,1|2,0,0]=4 1164 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [0,1,0,0,0,1|2,0,0]=4 1165 B9R1.2 O=C1C=CN=C(CCl)N1 C40934 [0,1,0,0,0,1|2,0,0]=4 1166 B9R1.2 OCC1=CC(Br)=CN=C1 B12503 [0,1,0,0,0,1|2,0,0]=4 1167 B9R1.2 OCC1=CC(Br)=NC=C1 B42880 [0,1,0,0,0,1|2,0,0]=4 1168 B9R1.2 OCC1=CC(Cl)=CN=C1 C42912 [0,1,0,0,0,1|2,0,0]=4 1169 B9R1.2 OCC1=CC(Cl)=NC=C1 C12733 [0,1,0,0,0,1|2,0,0]=4 1170 B9R1.2 OCC1=CC(Cl)=NC=N1 C11372 [0,1,0,0,0,1|2,0,0]=4 1171 B9R1.2 OCC1=CC(F)=CN=C1 F0704 [0,1,0,0,0,1|2,0,0]=4 1172 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [0,1,0,0,0,1|2,0,0]=4 1173 B9R1.2 OCC1=CN=CC(Br)=N1 B40916 [0,1,0,0,0,1|2,0,0]=4 1174 B9R1.2 OCC1=CN=CC(Cl)=N1 C14609 [0,1,0,0,0,1|2,0,0]=4 1175 B9R1.2 OCC1=NC=CC(Br)=C1 B0602 [0,1,0,0,0,1|2,0,0]=4 1176 B9R1.2 OCC1=NC=CC(Cl)=C1 C12436 [0,1,0,0,0,1|2,0,0]=4 1177 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [0,1,0,0,0,1|2,0,0]=4 1178 B9R1.3 CC1=C(Br)C(Br)=NC=C1 D42516 [0,1,0,0,0,1|2,0,0]=4 1179 B9R1.3 CC1=C(C)C(Br)=NC=C1 B38974 [0,1,0,0,0,1|2,0,0]=4 1180 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C46100 [0,1,0,0,0,1|2,0,0]=4 1181 B9R1.3 CC1=C(C)C(Cl)=NC=N1 C42992 [0,1,0,0,0,1|2,0,0]=4 1182 B9R1.3 CC1=C(C)C(N)=NC=C1 D43609 [0,1,0,0,0,1|2,0,0]=4 1183 B9R1.3 CC1=C(C)C(N)=NC=N1 D43340 [0,1,0,0,0,1|2,0,0]=4 1184 B9R1.3 CC1=C(C)C(O)=NC=N1 D43196 [0,1,0,0,0,1|2,0,0]=4 1185 B9R1.3 CC1=C(Cl)C(=O)NC=N1 C40936 [0,1,0,0,0,1|2,0,0]=4 1186 B9R1.3 CC1=C(Cl)C(Br)=NC=C1 B38914 [0,1,0,0,0,1|2,0,0]=4 1187 B9R1.3 CC1=C(Cl)C(Cl)=NC=C1 D42557 [0,1,0,0,0,1|2,0,0]=4 1188 B9R1.3 CC1=C(Cl)C(Cl)=NC=N1 D40728 [0,1,0,0,0,1|2,0,0]=4 1189 B9R1.3 CC1=C(F)C(Br)=NC=C1 B42545 [0,1,0,0,0,1|2,0,0]=4 1190 B9R1.3 CC1=C(F)C(Cl)=NC=C1 C42571 [0,1,0,0,0,1|2,0,0]=4 1191 B9R1.3 CC1=C(F)C(Cl)=NC=N1 C40737 [0,1,0,0,0,1|2,0,0]=4 1192 B9R1.3 CC1=C(I)C(=O)N=CN1 K40947 [0,1,0,0,0,1|2,0,0]=4 1193 B9R1.3 CC1=C(N)C(Br)=NC=C1 A8781 [0,1,0,0,0,1|2,0,0]=4 1194 B9R1.3 CC1=C(N)C(Cl)=NC=C1 C67997 [0,1,0,0,0,1|2,0,0]=4 1195 B9R1.3 CC1=C(N)C(Cl)=NC=N1 C38987 [0,1,0,0,0,1|2,0,0]=4 1196 B9R1.3 CC1=C(N)C(F)=NC=C1 F43013 [0,1,0,0,0,1|2,0,0]=4 1197 B9R1.3 CC1=C(N)C(N)=NC=C1 M7663 [0,1,0,0,0,1|2,0,0]=4 1198 B9R1.3 CC1=C(O)C(Br)=NC=C1 B42881 [0,1,0,0,0,1|2,0,0]=4 1199 B9R1.3 CC1=C(O)C(Cl)=NC=C1 C26074 [0,1,0,0,0,1|2,0,0]=4 1200 B9R1.3 CC1=CC=CC(C)=C1Br D49159 [0,1,0,0,0,1|2,0,0]=4 1201 B9R1.3 CC1=CC=CC(C)=C1Cl C68697 [0,1,0,0,0,1|2,0,0]=4 1202 B9R1.3 CC1=CC=CC(C)=C1F F49164 [0,1,0,0,0,1|2,0,0]=4 1203 B9R1.3 CC1=CC=CC(C)=C1I K49169 [0,1,0,0,0,1|2,0,0]=4 1204 B9R1.3 CC1=CC=CC(C)=C1[Mg+] D31737 [0,1,0,0,0,1|2,0,0]=4 1205 B9R1.3 CC1=CC=NC(C)=C1Br B46081 [0,1,0,0,0,1|1,0,0]=3 1206 B9R1.3 CC1=CC=NC(Cl)=C1Br B1569 [0,1,0,0,0,1|2,0,0]=4 1207 B9R1.3 CC1=CC=NC(F)=C1Br B42550 [0,1,0,0,0,1|2,0,0]=4 1208 B9R1.3 CC1=CC=NC(N)=C1Br A42965 [0,1,0,0,0,1|2,0,0]=4 1209 B9R1.3 CC1=CC=NC(N)=C1Cl C63856 [0,1,0,0,0,1|2,0,0]=4 1210 B9R1.3 CC1=CC=NC(O)=C1Br B42883 [0,1,0,0,0,1|2,0,0]=4 1211 B9R1.3 CC1=CN=CC(Br)=C1C B67733 [0,1,0,0,0,1|2,0,0]=4 1212 B9R1.3 CC1=CN=CC(Br)=C1Cl B42533 [0,1,0,0,0,1|2,0,0]=4 1213 B9R1.3 CC1=CN=CC(Br)=C1N B36942 [0,1,0,0,0,1|2,0,0]=4 1214 B9R1.3 CC1=CN=CC(C)=C1N D1039 [0,1,0,0,0,1|1,0,0]=3 1215 B9R1.3 CC1=CN=CC(Cl)=C1N C32268 [0,1,0,0,0,1|2,0,0]=4 1216 B9R1.3 CC1=CN=CC(F)=C1N F43016 [0,1,0,0,0,1|2,0,0]=4 1217 B9R1.3 CC1=CN=CC(N)=C1N M43335 [0,1,0,0,0,1|2,0,0]=4 1218 B9R1.3 CC1=NC=CC(Br)=C1C B46083 [0,1,0,0,0,1|2,0,0]=4 1219 B9R1.3 CC1=NC=CC(Br)=C1F B32156 [0,1,0,0,0,1|2,0,0]=4 1220 B9R1.3 CC1=NC=CC(Cl)=C1F C42575 [0,1,0,0,0,1|2,0,0]=4 1221 B9R1.3 CC1=NC=CC(N)=C1C A9714 [0,1,0,0,0,1|2,0,0]=4 1222 B9R1.3 CC1=NC=CC(N)=C1F F43014 [0,1,0,0,0,1|2,0,0]=4 1223 B9R1.3 CC1=NC=CC(N)=C1N M43332 [0,1,0,0,0,1|2,0,0]=4 1224 B9R1.3 CC1=NC=NC(C)=C1Br B11484 [0,1,0,0,0,1|1,0,0]=3 1225 B9R1.3 CC1=NC=NC(C)=C1N D43339 [0,1,0,0,0,1|1,0,0]=3 1226 B9R1.3 CC1=NC=NC(C)=C1O D43194 [0,1,0,0,0,1|1,0,0]=3 1227 B9R1.3 CC1=NC=NC(Cl)=C1Br B23168 [0,1,0,0,0,1|2,0,0]=4 1228 B9R1.3 CC1=NC=NC(Cl)=C1I C40744 [0,1,0,0,0,1|2,0,0]=4 1229 B9R1.3 CC1=NC=NC(N)=C1Br B41066 [0,1,0,0,0,1|2,0,0]=4 1230 B9R1.3 CC1=NC=NC(N)=C1Cl C41081 [0,1,0,0,0,1|2,0,0]=4 1231 B9R1.3 CC1=NC=NC(N)=C1I I39071 [0,1,0,0,0,1|2,0,0]=4 1232 B9R1.3 CC1=NC=NC(O)=C1Br B40918 [0,1,0,0,0,1|2,0,0]=4 1233 B9R1.34 CC1=CC(=O)C=C(C)N1 D4504 [0,1,0,0,0,1|2,0,0]=4 1234 B9R1.34 CC1=CC(=O)NC(N)=N1 A61030 [0,1,0,0,0,1|2,0,0]=4 1235 B9R1.34 CC1=CC(Br)=CC(Br)=N1 D25404 [0,1,0,0,0,1|2,0,0]=4 1236 B9R1.34 CC1=CC(Br)=CC(C)=N1 B32225 [0,1,0,0,0,1|2,0,0]=4 1237 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 B42535 [0,1,0,0,0,1|2,0,0]=4 1238 B9R1.34 CC1=CC(Br)=CC(F)=N1 B42552 [0,1,0,0,0,1|2,0,0]=4 1239 B9R1.34 CC1=CC(Br)=CC(N)=N1 B32094 [0,1,0,0,0,1|2,0,0]=4 1240 B9R1.34 CC1=CC(Br)=CC(O)=N1 B25850 [0,1,0,0,0,1|2,0,0]=4 1241 B9R1.34 CC1=CC(Br)=NC(Br)=C1 D25098 [0,1,0,0,0,1|2,0,0]=4 1242 B9R1.34 CC1=CC(Br)=NC(C)=C1 B23884 [0,1,0,0,0,1|1,0,0]=3 1243 B9R1.34 CC1=CC(Br)=NC(C)=N1 B42970 [0,1,0,0,0,1|1,0,0]=3 1244 B9R1.34 CC1=CC(Br)=NC(Cl)=C1 B42531 [0,1,0,0,0,1|2,0,0]=4 1245 B9R1.34 CC1=CC(Br)=NC(F)=C1 B42549 [0,1,0,0,0,1|2,0,0]=4 1246 B9R1.34 CC1=CC(Br)=NC(N)=C1 B25144 [0,1,0,0,0,1|2,0,0]=4 1247 B9R1.34 CC1=CC(C)=CC(Br)=C1 B39512 [0,1,0,0,0,1|2,0,0]=4 1248 B9R1.34 CC1=CC(C)=CC(F)=C1 D49162 [0,1,0,0,0,1|2,0,0]=4 1249 B9R1.34 CC1=CC(C)=CC([Mg+])=C1 D31739 [0,1,0,0,0,1|2,0,0]=4 1250 B9R1.34 CC1=CC(C)=NC(Br)=N1 B38172 [0,1,0,0,0,1|1,0,0]=3 1251 B9R1.34 CC1=CC(C)=NC(C)=C1 T69125 [0,1,0,0,0,1|1,0,0]=3 1252 B9R1.34 CC1=CC(C)=NC(Cl)=N1 C42991 [0,1,0,0,0,1|1,0,0]=3 1253 B9R1.34 CC1=CC(Cl)=CC(C)=N1 C36740 [0,1,0,0,0,1|2,0,0]=4 1254 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 D5517 [0,1,0,0,0,1|2,0,0]=4 1255 B9R1.34 CC1=CC(Cl)=CC(N)=N1 A69246 [0,1,0,0,0,1|2,0,0]=4 1256 B9R1.34 CC1=CC(Cl)=NC(C)=C1 C46101 [0,1,0,0,0,1|1,0,0]=3 1257 B9R1.34 CC1=CC(Cl)=NC(C)=N1 C23724 [0,1,0,0,0,1|1,0,0]=3 1258 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 D4901 [0,1,0,0,0,1|2,0,0]=4 1259 B9R1.34 CC1=CC(Cl)=NC(N)=C1 C43000 [0,1,0,0,0,1|2,0,0]=4 1260 B9R1.34 CC1=CC(Cl)=NC(N)=N1 C67439 [0,1,0,0,0,1|2,0,0]=4 1261 B9R1.34 CC1=CC(F)=CC(F)=N1 D36881 [0,1,0,0,0,1|2,0,0]=4 1262 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C42583 [0,1,0,0,0,1|2,0,0]=4 1263 B9R1.34 CC1=CC(I)=CC(F)=N1 F39127 [0,1,0,0,0,1|2,0,0]=4 1264 B9R1.34 CC1=CC(N)=CC(Br)=N1 B9374 [0,1,0,0,0,1|2,0,0]=4 1265 B9R1.34 CC1=CC(N)=CC(C)=N1 D3945 [0,1,0,0,0,1|2,0,0]=4 1266 B9R1.34 CC1=CC(N)=CC(Cl)=N1 C25407 [0,1,0,0,0,1|2,0,0]=4 1267 B9R1.34 CC1=CC(N)=NC(C)=C1 A43617 [0,1,0,0,0,1|1,0,0]=3 1268 B9R1.34 CC1=CC(N)=NC(N)=C1 M43334 [0,1,0,0,0,1|2,0,0]=4 1269 B9R1.34 CC1=CC(O)=CC(O)=N1 M43137 [0,1,0,0,0,1|2,0,0]=4 1270 B9R1.34 CC1=CC(O)=CC(O)=N1 M43138 [0,1,0,0,0,1|2,0,0]=4 1271 B9R1.34 CC1=CC(O)=NC(C)=C1 D69531 [0,1,0,0,0,1|1,0,0]=3 1272 B9R1.34 CC1=CC(O)=NC(C)=N1 D43193 [0,1,0,0,0,1|1,0,0]=3 1273 B9R1.34 CC1=NC(Cl)=CC(Cl)=N1 D12378 [0,1,0,0,0,1|2,0,0]=4 1274 B9R1.34 CC1=NC(Cl)=NC(Cl)=C1 D24170 [0,1,0,0,0,1|2,0,0]=4 1275 B9R1.34 CC1=NC(Cl)=NC(N)=C1 C4013 [0,1,0,0,0,1|2,0,0]=4 1276 B9R1.34 CC1=NC(N)=CC(Br)=N1 A41069 [0,1,0,0,0,1|2,0,0]=4 1277 B9R1.34 CC1=NC(N)=CC(Cl)=N1 A12377 [0,1,0,0,0,1|2,0,0]=4 1278 B9R1.34 CC1=NC(N)=CC(I)=N1 A41087 [0,1,0,0,0,1|2,0,0]=4 1279 B9R1.34 CC1=NC(N)=NC(N)=C1 M8871 [0,1,0,0,0,1|2,0,0]=4 1280 B9R1.34 CC1=NC(O)=CC(O)=N1 D39176 [0,1,0,0,0,1|2,0,0]=4 1281 B9R1.34 CC1=NC(O)=NC(N)=N1 A40205 [0,1,0,0,0,1|2,0,0]=4 1282 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,2,0,0,0,0|1,1,0]=4 1283 B9R1.7 CC1=NNC(CC#N)=N1 M65089 [0,2,0,0,0,0|2,0,0]=4 1284 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,2,0,0,0,0|2,0,0]=4 1285 B9R1.7 CN1C=C(CC#N)C=N1 M7746 [0,2,0,0,0,0|2,0,0]=4 1286 B9R1.7 CNCC1=CN(C)C=N1 M16460 [0,2,0,0,0,0|2,0,0]=4 1287 B9R1.7 COCC1=NN=C(N)S1 M40224 [0,2,0,0,0,0|2,0,0]=4 1288 B9R1.7 N#CCC1=CC=C(Br)S1 B61534 [0,2,0,0,0,0|2,0,0]=4 1289 B9R1.7 N#CCC1=NC=C(Br)S1 B13060 [0,2,0,0,0,0|1,0,0]=3 1290 B9R1.7 N#CCC1=NC=C(Cl)S1 C13061 [0,2,0,0,0,0|1,0,0]=3 1291 B9R1.7 N#CSC1=CN=C(N)S1 T9666 [0,2,0,0,0,0|1,0,1]=4 1292 B9R1.7 NC1=NC=C(CCO)S1 A41202 [0,2,0,0,0,0|1,0,0]=3 1293 B9R1.7 NNCC1=CC=C(Cl)S1 C13974 [0,2,0,0,0,0|2,0,0]=4 1294 B9R1.21 CCN1C=C(CN)C=N1 E41492 [0,2,0,0,0,0|2,0,0]=4 1295 B9R1.21 COC1=CC(CN)=NN1 A7802 [0,2,0,0,0,0|2,0,0]=4 1296 B9R1.21 COC1=CC=C(OC)S1 D43309 [0,2,0,0,0,0|1,0,0]=3 1297 B9R1.21 COC1=NC=C(C=O)S1 M40995 [0,2,0,0,0,0|0,0,1]=3 1298 B9R1.21 N#CC1=CC=C(CBr)S1 B42220 [0,2,0,0,0,0|1,0,1]=4 1299 B9R1.21 OCC1=CC=C(CO)O1 F69147 [0,2,0,0,0,0|1,1,0]=4 1300 B9R1.22 CC1=C(C=O)N=C(N)S1 A41053 [0,2,0,0,0,0|1,0,0]=3 1301 B9R1.22 CC1=C(C=O)SC(Br)=N1 B40845 [0,2,0,0,0,0|1,0,1]=4 1302 B9R1.22 CC1=CC(C#N)=C(N)S1 A42809 [0,2,0,0,0,0|2,0,0]=4 1303 B9R1.22 CC1=CC(C)=C(C=O)N1 D37937 [0,2,0,0,0,0|1,0,1]=4 1304 B9R1.22 CC1=NC(Br)=C(CBr)S1 B40988 [0,2,0,0,0,0|0,0,0]=2 1305 B9R1.22 CC1=NC(C#N)=C(N)O1 A38786 [0,2,0,0,0,0|1,1,0]=4 1306 B9R1.22 CC1=NC(C)=C(C=O)N1 D39065 [0,2,0,0,0,0|1,0,1]=4 1307 B9R1.22 CC1=NC(C)=C(CO)S1 D43393 [0,2,0,0,0,0|0,0,0]=2 1308 B9R1.22 CC1=NN(C)C(CCl)=C1 C1040 [0,2,0,0,0,0|2,0,0]=4 1309 B9R1.22 CC1=NN(C)C(CO)=C1 D3957 [0,2,0,0,0,0|2,0,0]=4 1310 B9R1.22 CC1=NN(C)C=C1CN D23506 [0,2,0,0,0,0|2,0,0]=4 1311 B9R1.22 N#CC1=C(Br)SC(N)=N1 A64520 [0,2,0,0,0,0|2,0,0]=4 1312 B9R1.22 N#CC1=C(Cl)N=C(Cl)S1 D40291 [0,2,0,0,0,0|1,0,1]=4 1313 B9R1.22 O=CC1=C(Br)N=C(Br)S1 D40289 [0,2,0,0,0,0|1,0,1]=4 1314 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 D2688 [0,2,0,0,0,0|1,0,1]=4 1315 B9R1.22 OCC1=C(Br)SC(Br)=N1 D2683 [0,2,0,0,0,0|2,0,0]=4 1316 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 D40065 [0,2,0,0,0,0|1,0,0]=3 1317 B9R1.23 CC1=C(C)SC(C#N)=N1 C7813 [0,2,0,0,0,0|0,0,1]=3 1318 B9R1.23 CC1=C(C)SC(C=O)=N1 D25172 [0,2,0,0,0,0|0,0,1]=3 1319 B9R1.23 CC1=CC(CCl)=NN1C C11366 [0,2,0,0,0,0|2,0,0]=4 1320 B9R1.23 CC1=CC(CN)=NN1C A11367 [0,2,0,0,0,0|2,0,0]=4 1321 B9R1.23 CC1=CC(CO)=NN1C H11365 [0,2,0,0,0,0|2,0,0]=4 1322 B9R1.23 CCC1=NC(C)=C(Br)S1 B43293 [0,2,0,0,0,0|1,0,0]=3 1323 B9R1.35 CC(=O)C1=CC=C(Br)S1 A12839 [0,2,0,0,0,0|2,0,0]=4 1324 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,2,0,0,0,0|1,0,0]=3 1325 B9R1.35 CC(=O)C1=CN(C)N=C1 M3257 [0,2,0,0,0,0|2,0,0]=4 1326 B9R1.35 CC(=O)C1=CN=C(Br)S1 B32437 [0,2,0,0,0,0|1,0,0]=3 1327 B9R1.35 CC(=O)C1=CN=C(N)S1 A41052 [0,2,0,0,0,0|1,0,0]=3 1328 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [0,2,0,0,0,0|1,0,1]=4 1329 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,2,0,0,0,0|2,0,0]=4 1330 B9R1.35 CC(=O)C1=NC=C(Br)S1 B13063 [0,2,0,0,0,0|1,0,0]=3 1331 B9R1.35 CC(=O)C1=NC=C(Cl)S1 C13062 [0,2,0,0,0,0|1,0,0]=3 1332 B9R1.35 CC(=O)C1=NNC(C)=C1 M62065 [0,2,0,0,0,0|2,0,0]=4 1333 B9R1.35 CC(=O)C1=NOC(C)=C1 M43142 [0,2,0,0,0,0|2,0,0]=4 1334 B9R1.35 CC(C)C1=CN=C(Br)S1 B43292 [0,2,0,0,0,0|1,0,0]=3 1335 B9R1.35 CC(C)C1=CN=C(N)S1 P67827 [0,2,0,0,0,0|1,0,0]=3 1336 B9R1.35 CC(C)C1=NC=C(Br)S1 B64788 [0,2,0,0,0,0|1,0,0]=3 1337 B9R1.35 CC(C)C1=NN=C(Br)S1 B64862 [0,2,0,0,0,0|2,0,0]=4 1338 B9R1.35 CC(C)C1=NN=C(N)S1 A41253 [0,2,0,0,0,0|2,0,0]=4 1339 B9R1.35 CC1=CC=C(B(O)O)S1 M4600 [0,2,0,0,0,0|2,0,0]=4 1340 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [0,2,0,0,0,0|1,0,1]=4 1341 B9R1.35 CC1=CN=C(C(=O)O)S1 M40996 [0,2,0,0,0,0|0,0,1]=3 1342 B9R1.35 CC1=CN=C(C(=O)[O-])O1 S27747 [0,2,0,0,0,0|0,1,1]=4 1343 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [0,2,0,0,0,0|2,0,0]=4 1344 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [0,2,0,0,0,0|0,1,1]=4 1345 B9R1.35 CC1=NC=C(C(=O)O)S1 M5426 [0,2,0,0,0,0|0,0,1]=3 1346 B9R1.35 CC1=NC=C([N+](=O)[O-])N1 M68352 [0,2,0,0,0,0|2,0,0]=4 1347 B9R1.35 CC1=NN=C(C(=O)[O-])S1 L40037 [0,2,0,0,0,0|1,0,1]=4 1348 B9R1.35 C[C@H](N)C1=CN(C)N=C1 M14047 [0,2,0,0,0,0|2,0,0]=4 1349 B9R1.35 C[C@H](O)C1=CN(C)C=N1 M0652 [0,2,0,0,0,0|2,0,0]=4 1350 B9R1.35 FC(F)C1=NC=C(Br)S1 B13058 [0,2,0,0,0,0|1,0,0]=3 1351 B9R1.35 NC(=O)C1=CN=C(Br)S1 B40041 [0,2,0,0,0,0|1,0,1]=4 1352 B9R1.35 NC1=CN=C(C(=O)O)S1 A14284 [0,2,0,0,0,0|1,0,1]=4 1353 B9R1.35 NC1=CN=C(C(=O)O)S1 A7363 [0,2,0,0,0,0|1,0,1]=4 1354 B9R1.35 NC1=NC=C(C(=O)O)S1 A3492 [0,2,0,0,0,0|1,0,1]=4 1355 B9R1.35 NC1=NC=C([N+](=O)[O-])S1 A61028 [0,2,0,0,0,0|2,0,0]=4 1356 B9R1.35 O=C(O)C1=CN=C(Br)S1 B2125 [0,2,0,0,0,0|1,0,1]=4 1357 B9R1.35 O=C(O)C1=CN=C(Cl)S1 C2765 [0,2,0,0,0,0|1,0,1]=4 1358 B9R1.35 O=C(O)C1=NC=C(Br)S1 B10955 [0,2,0,0,0,0|1,0,1]=4 1359 B9R1.35 O=C(O)C1=NC=C(Cl)S1 C13056 [0,2,0,0,0,0|1,0,1]=4 1360 B9R1.35 O=[N+]([O-])C1=CN=C(Cl)S1 C39897 [0,2,0,0,0,0|2,0,0]=4 1361 B9R1.35 O=[N+]([O-])C1=NC=C(Br)S1 B39896 [0,2,0,0,0,0|2,0,0]=4 1362 B9R1.132 CC1=CC=C(CN)N1C A13529 [0,2,0,0,0,0|2,0,0]=4 1363 B9R1.132 CC1=NC=C(C=O)N1C D61627 [0,2,0,0,0,0|1,0,1]=4 1364 B9R1.132 CN1C(Cl)=CN=C1CO C41136 [0,2,0,0,0,0|2,0,0]=4 1365 B9R1.37 CC1=NN(C)C(C)=C1Br B39280 [0,2,0,0,0,0|2,0,0]=4 1366 B9R1.37 CC1=NN(C)C(C)=C1N A43436 [0,2,0,0,0,0|2,0,0]=4 1367 B9R1.37 CC1=NN(C)C(C)=C1N T41491 [0,2,0,0,0,0|2,0,0]=4 1368 B9R1.27 CC1=C(C=O)N(C)C=N1 D36814 [0,2,0,0,0,0|2,0,0]=4 1369 B9R1.27 CC1=NOC(C)=C1C=O D24190 [0,2,0,0,0,0|2,0,0]=4 1370 B9R1.27 CC1=NOC(C)=C1CCl C43298 [0,2,0,0,0,0|2,0,0]=4 1371 B9R1.27 CC1=NOC(C)=C1CN D41432 [0,2,0,0,0,0|2,0,0]=4 1372 B7R1.3 CC1=CN=NC=C1 M3532 [0,0,1,1,0,0|2,0,0]=4 1373 B7R1.3 CC1=NC=CC=N1 M68916 [0,0,1,1,0,0|1,0,1]=4 1374 B7R1.3 CC1=NC=CN=C1 M61917 [0,0,1,1,0,0|1,0,1]=4 1375 B7R1.3 CC1=NC=NC=C1 M7491 [0,0,1,1,0,0|2,0,0]=4