0 B8R1.18 BrC1=CC(Br)=C(Br)S1 T39158 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.18 CC1=C(Br)N=C(Br)S1 D37493 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.18 CC1=C(Br)N=C(N)S1 B67359 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.18 CC1=C(Br)NC(Br)=N1 D40071 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.18 CC1=C(Br)SC(Br)=C1 D40697 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.18 CC1=C(Br)SC(Br)=N1 D3449 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.18 CC1=C(Br)SC(N)=N1 A2767 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.18 CC1=C(Br)SC(N)=N1 A3604 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.18 CC1=C(C)NC(N)=N1 D41246 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,0,0,0,0,0|2,1,0]=3 10 B8R1.18 CC1=C(C)SC(Br)=N1 B37797 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.18 CC1=C(C)SC(N)=N1 D41205 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.18 CC1=C(C)SC(N)=N1 D41367 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.18 CC1=C(Cl)SC(Cl)=C1 D40698 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.18 CC1=C(Cl)SC(N)=N1 A2766 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,0,0,0,0,0|3,1,0]=4 17 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,0,0,0,0,0|2,1,1]=4 18 B8R1.18 CC1=CC(Br)=NN1C B41126 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.18 CC1=CC(C)=NN1C T41425 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.18 CC1=CC(Cl)=NN1C C41128 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.18 CC1=CC(N)=NN1C D41245 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.18 CC1=CN(C)N=C1I K41134 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [0,0,0,0,0,0|1,0,0]=1 24 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [0,0,0,0,0,0|0,1,0]=1 25 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.18 CC1=NN(C)C=C1Br B12747 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.18 CC1=NN(C)C=C1I K41135 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.18 CC1=NN(C)C=C1N A10473 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.18 CC1=NN(C)C=C1N D41244 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.18 CC1=NN(C)N=C1Br B39014 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.18 CN1C=C(Br)C(F)=N1 B59911 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.18 CN1C=C(Br)C(N)=N1 B40192 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.18 CN1C=C(N)C(Cl)=N1 C64471 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.18 CN1N=C(Br)C=C1Br D63345 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.18 CN1N=C(Br)N=C1Br D22545 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.18 CN1N=C(Cl)C=C1N C15698 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.18 CN1N=C(Cl)C=C1N C21712 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.18 CN1N=C(N)C=C1Br B40193 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.18 CN1N=C(N)C=C1Cl C40196 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.18 CN1SC(Cl)=CC1=O C69553 [0,0,0,0,0,0|4,0,0]=4 45 B7R1.2 BrC1=CN=C(Br)S1 D2697 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.2 BrC1=CSC(Br)=N1 D2472 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.2 BrC1=NN=C(Br)S1 D39791 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.2 CC1=CC(Br)=CS1 B40867 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.2 CC1=CC(Br)=NN1 B9765 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.2 CC1=CC(Br)=NO1 B2183 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.2 CC1=CC(C)=NO1 D39182 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.2 CC1=CC(Cl)=NN1 C7548 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.2 CC1=CC(I)=NN1 I26594 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.2 CC1=CC(N)=NN1 A11614 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.2 CC1=CC(N)=NO1 A12655 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,0,0,0,0,0|2,1,0]=4 57 B7R1.2 CC1=CC=C(Br)S1 B40865 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.2 CC1=CC=C(C)S1 D43320 [1,0,0,0,0,0|1,0,0]=2 59 B7R1.2 CC1=CC=C(I)S1 K40868 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.2 CC1=CN(C)N=C1 D69464 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.2 CC1=CN(C)N=N1 D40221 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.2 CC1=CN=C(Br)S1 B40104 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.2 CC1=CN=C(C)S1 D38993 [1,0,0,0,0,0|0,0,0]=1 64 B7R1.2 CC1=CN=C(Cl)S1 C1978 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.2 CC1=CN=C(N)S1 A69715 [1,0,0,0,0,0|1,0,0]=2 66 B7R1.2 CC1=CN=C(N)S1 M69725 [1,0,0,0,0,0|1,0,0]=2 67 B7R1.2 CC1=CNC(Br)=N1 B40115 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.2 CC1=CNC(C)=N1 D41187 [1,0,0,0,0,0|1,0,0]=2 69 B7R1.2 CC1=CNC(I)=N1 K40123 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.2 CC1=COC(N)=N1 A2053 [1,0,0,0,0,0|1,1,0]=3 71 B7R1.2 CC1=CSC(Br)=N1 B2087 [1,0,0,0,0,0|1,0,0]=2 72 B7R1.2 CC1=CSC(C)=N1 D41174 [1,0,0,0,0,0|0,0,0]=1 73 B7R1.2 CC1=CSC(N)=C1 A0597 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.2 CC1=NC(Br)=CN1 B2121 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.2 CC1=NC(Br)=CS1 B2069 [1,0,0,0,0,0|1,0,0]=2 76 B7R1.2 CC1=NC(N)=NO1 M39856 [1,0,0,0,0,0|2,1,0]=4 77 B7R1.2 CC1=NC=C(Br)S1 B5222 [1,0,0,0,0,0|1,0,0]=2 78 B7R1.2 CC1=NC=C(I)N1 K40124 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.2 CC1=NC=C(N)S1 M40189 [1,0,0,0,0,0|1,0,0]=2 80 B7R1.2 CC1=NN(C)C=C1 D4115 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.2 CC1=NN=C(Br)O1 B62443 [1,0,0,0,0,0|2,1,0]=4 82 B7R1.2 CC1=NN=C(Br)S1 B39816 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.2 CC1=NN=C(C)N1 D0366 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.2 CC1=NN=C(C)O1 D13454 [1,0,0,0,0,0|1,1,0]=3 85 B7R1.2 CC1=NN=C(N)O1 M5216 [1,0,0,0,0,0|2,1,0]=4 86 B7R1.2 CC1=NN=C(N)S1 A39857 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.2 CC1=NNC(=O)C1 M68628 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.2 CC1=NNC(=O)O1 M39837 [1,0,0,0,0,0|2,1,0]=4 89 B7R1.2 CC1=NNC(=S)O1 M62067 [1,0,0,0,0,0|2,1,0]=4 90 B7R1.2 CC1=NNC(=S)S1 M68580 [1,0,0,0,0,0|2,0,0]=3 91 B7R1.2 CC1=NNC(Br)=C1 B40114 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.2 CC1=NNC(I)=C1 K40122 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.2 CC1=NNC(N)=C1 M40220 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.2 CC1=NNC(O)=C1 M0907 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.2 CC1=NOC(N)=C1 A37936 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.2 CC1=NSC(Br)=N1 B39817 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.2 CC1=NSC(Cl)=N1 C39820 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.2 CC1=NSC(I)=C1 I6114 [1,0,0,0,0,0|3,0,0]=4 99 B7R1.2 CC1=NSC(N)=C1 M65783 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.2 CC1=NSC(N)=N1 A39858 [1,0,0,0,0,0|2,0,0]=3 101 B7R1.2 CN1C=C(Br)C=N1 B7572 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.2 CN1C=C(Cl)C=N1 C40119 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.2 CN1C=C(I)C=N1 I23483 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.2 CN1C=C(N)C=N1 A10471 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.2 CN1C=C(N)C=N1 M24961 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.2 CN1C=C(N)C=N1 M40360 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.2 CN1C=C(O)C=N1 M38839 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.2 CN1C=CC(Br)=N1 B5930 [1,0,0,0,0,0|3,0,0]=4 109 B7R1.2 CN1C=CC(Cl)=N1 C64917 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.2 CN1C=CC(I)=N1 M13226 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.2 CN1C=CC(N)=N1 A3263 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.2 CN1C=NC(Br)=C1 B5167 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.2 CN1C=NC(Br)=N1 B36665 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.2 CN1C=NC(I)=C1 I2146 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.2 CN1C=NC(N)=C1 M38763 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.2 CN1C=NC(N)=N1 M38833 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.2 CN1N=CC(Br)=N1 B39841 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.2 ClC1=CC=C(Br)S1 B39971 [1,0,0,0,0,0|3,0,0]=4 119 B7R1.2 ClC1=CC=C(I)S1 C39974 [1,0,0,0,0,0|3,0,0]=4 120 B7R1.2 ClC1=CN=C(Br)S1 B15574 [1,0,0,0,0,0|2,0,0]=3 121 B7R1.2 ClC1=CN=C(Cl)S1 D15573 [1,0,0,0,0,0|2,0,0]=3 122 B7R1.2 ClC1=CSC(Br)=N1 B37462 [1,0,0,0,0,0|2,0,0]=3 123 B7R1.2 ClC1=CSC(Cl)=N1 D23613 [1,0,0,0,0,0|2,0,0]=3 124 B7R1.2 ClC1=NC(Br)=CS1 B5835 [1,0,0,0,0,0|2,0,0]=3 125 B7R1.2 ClC1=NC=C(Br)S1 B1397 [1,0,0,0,0,0|2,0,0]=3 126 B7R1.2 FC1=CN=C(Br)S1 B15575 [1,0,0,0,0,0|2,0,0]=3 127 B7R1.2 IC1=COC(I)=N1 D6541 [1,0,0,0,0,0|2,1,0]=4 128 B7R1.2 NC1=CSC(Cl)=C1 A14220 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.2 NC1=CSC(Cl)=C1 A7362 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.2 NC1=CSC(N)=N1 T39915 [1,0,0,0,0,0|2,0,0]=3 131 B7R1.2 NC1=NC(=O)CS1 A2444 [1,0,0,0,0,0|2,0,1]=4 132 B7R1.2 NC1=NC(=O)CS1 A67692 [1,0,0,0,0,0|2,0,1]=4 133 B7R1.2 NC1=NC(Br)=CS1 A23949 [1,0,0,0,0,0|2,0,0]=3 134 B7R1.2 NC1=NC(Br)=NS1 B69719 [1,0,0,0,0,0|3,0,0]=4 135 B7R1.2 NC1=NC(O)=CS1 A39839 [1,0,0,0,0,0|2,0,0]=3 136 B7R1.2 NC1=NC=C(Br)S1 B22934 [1,0,0,0,0,0|2,0,0]=3 137 B7R1.2 NC1=NC=C(Br)S1 D2473 [1,0,0,0,0,0|2,0,0]=3 138 B7R1.2 NC1=NC=C(Cl)S1 C12061 [1,0,0,0,0,0|2,0,0]=3 139 B7R1.2 NC1=NC=C(F)S1 F24712 [1,0,0,0,0,0|2,0,0]=3 140 B7R1.2 NC1=NC=C(F)S1 F8188 [1,0,0,0,0,0|2,0,0]=3 141 B7R1.2 NC1=NCC(=O)S1 A64749 [1,0,0,0,0,0|2,0,1]=4 142 B7R1.2 NC1=NN=C(Br)S1 B38550 [1,0,0,0,0,0|3,0,0]=4 143 B7R1.2 NC1=NN=C(Cl)S1 C39762 [1,0,0,0,0,0|3,0,0]=4 144 B7R1.2 NC1=NN=C(N)S1 T39770 [1,0,0,0,0,0|3,0,0]=4 145 B7R1.2 OC1=CC=C(Br)S1 B40069 [1,0,0,0,0,0|3,0,0]=4 146 B7R1.2 OC1=NC(Br)=CS1 B39814 [1,0,0,0,0,0|2,0,0]=3 147 B7R1.4 BrC1=C(Br)SC=C1 D39969 [1,0,0,0,0,0|3,0,0]=4 148 B7R1.4 BrC1=C(I)SC=C1 B39972 [1,0,0,0,0,0|3,0,0]=4 149 B7R1.4 CC1=C(Br)N=CS1 B61015 [1,0,0,0,0,0|1,0,0]=2 150 B7R1.4 CC1=C(Br)NC=N1 B40116 [1,0,0,0,0,0|2,0,0]=3 151 B7R1.4 CC1=C(Br)SC=C1 B12699 [1,0,0,0,0,0|2,0,0]=3 152 B7R1.4 CC1=C(Br)SC=N1 B5072 [1,0,0,0,0,0|1,0,0]=2 153 B7R1.4 CC1=C(C)NC=N1 D41358 [1,0,0,0,0,0|1,0,0]=2 154 B7R1.4 CC1=C(C)NC=N1 D43581 [1,0,0,0,0,0|1,0,0]=2 155 B7R1.4 CC1=C(C)SC=N1 D41175 [1,0,0,0,0,0|0,0,0]=1 156 B7R1.4 CC1=C(Cl)SC=C1 C39173 [1,0,0,0,0,0|2,0,0]=3 157 B7R1.4 CC1=C(I)NC=N1 K40125 [1,0,0,0,0,0|2,0,0]=3 158 B7R1.4 CC1=CC=NN1C D3267 [1,0,0,0,0,0|2,0,0]=3 159 B7R1.4 CC1=CNC=C1C D12050 [1,0,0,0,0,0|3,0,0]=4 160 B7R1.4 CC1=CNN=C1Br B10968 [1,0,0,0,0,0|3,0,0]=4 161 B7R1.4 CC1=CNN=C1C D22811 [1,0,0,0,0,0|2,0,0]=3 162 B7R1.4 CC1=CNN=C1C D60965 [1,0,0,0,0,0|2,0,0]=3 163 B7R1.4 CC1=NNC=C1I K40121 [1,0,0,0,0,0|3,0,0]=4 164 B7R1.4 CC1=NOC=C1N M38991 [1,0,0,0,0,0|3,0,0]=4 165 B7R1.4 CC1=NON=C1N M61679 [1,0,0,0,0,0|3,0,0]=4 166 B7R1.4 CN1C=CN=C1Br B9674 [1,0,0,0,0,0|3,0,0]=4 167 B7R1.4 CN1C=CN=C1Cl C3018 [1,0,0,0,0,0|3,0,0]=4 168 B7R1.4 CN1C=CN=C1I I2903 [1,0,0,0,0,0|3,0,0]=4 169 B7R1.4 CN1C=CN=C1N M40330 [1,0,0,0,0,0|3,0,0]=4 170 B7R1.4 CN1C=CN=C1N M67646 [1,0,0,0,0,0|3,0,0]=4 171 B7R1.4 CN1N=CC=C1I M9757 [1,0,0,0,0,0|3,0,0]=4 172 B7R1.4 CN1N=CC=C1N M12745 [1,0,0,0,0,0|3,0,0]=4 173 B7R1.4 CN1N=CC=C1O M23117 [1,0,0,0,0,0|3,0,0]=4 174 B7R1.4 CN1N=CCC1=O M40183 [1,0,0,0,0,0|3,0,0]=4 175 B7R1.4 CN1N=CN=C1Br B21698 [1,0,0,0,0,0|3,0,0]=4 176 B7R1.4 ClC1=C(Br)C=CS1 B37895 [1,0,0,0,0,0|3,0,0]=4 177 B7R1.4 ClC1=C(Br)SC=C1 B39970 [1,0,0,0,0,0|3,0,0]=4 178 B7R1.4 ClC1=C(Cl)NC=N1 D62394 [1,0,0,0,0,0|3,0,0]=4 179 B7R1.4 ClC1=C(I)SC=C1 C60404 [1,0,0,0,0,0|3,0,0]=4 180 B7R1.4 IC1=C(I)NC=N1 D2856 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.22 CC1=C(C=O)N=C(N)S1 A41053 [0,1,0,0,0,0|1,0,1]=3 182 B9R1.22 CC1=C(C=O)SC(Br)=N1 B40845 [0,1,0,0,0,0|1,0,1]=3 183 B9R1.22 CC1=C(CCl)OC(=O)O1 C39175 [0,1,0,0,0,0|2,1,0]=4 184 B9R1.22 CC1=C(CO)OC(=O)O1 H32111 [0,1,0,0,0,0|2,1,0]=4 185 B9R1.22 CC1=CC(C#N)=C(N)S1 A42809 [0,1,0,0,0,0|2,0,1]=4 186 B9R1.22 CC1=CC(C)=C(C=O)N1 D37937 [0,1,0,0,0,0|1,0,2]=4 187 B9R1.22 CC1=NC(Br)=C(CBr)S1 B40988 [0,1,0,0,0,0|1,0,0]=2 188 B9R1.22 CC1=NC(C#N)=C(N)O1 A38786 [0,1,0,0,0,0|1,1,1]=4 189 B9R1.22 CC1=NC(C)=C(C=O)N1 D39065 [0,1,0,0,0,0|1,0,1]=3 190 B9R1.22 CC1=NC(C)=C(CO)S1 D43393 [0,1,0,0,0,0|0,0,0]=1 191 B9R1.22 CC1=NN(C)C(C=O)=C1 D3606 [0,1,0,0,0,0|2,0,1]=4 192 B9R1.22 CC1=NN(C)C(CCl)=C1 C1040 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.22 CC1=NN(C)C(CO)=C1 D3957 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.22 CC1=NN(C)C=C1C=O D9711 [0,1,0,0,0,0|2,0,1]=4 195 B9R1.22 CC1=NN(C)C=C1CN D23506 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.22 N#CC1=C(Br)SC(N)=N1 A64520 [0,1,0,0,0,0|2,0,1]=4 197 B9R1.22 N#CC1=C(Cl)N=C(Cl)S1 D40291 [0,1,0,0,0,0|2,0,1]=4 198 B9R1.22 O=CC1=C(Br)N=C(Br)S1 D40289 [0,1,0,0,0,0|2,0,1]=4 199 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 D2688 [0,1,0,0,0,0|2,0,1]=4 200 B9R1.22 OCC1=C(Br)SC(Br)=N1 D2683 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 D40065 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.23 CC1=C(Br)SC(C=O)=C1 B14087 [0,1,0,0,0,0|2,0,1]=4 203 B9R1.23 CC1=C(C)SC(C#N)=N1 C7813 [0,1,0,0,0,0|0,0,1]=2 204 B9R1.23 CC1=C(C)SC(C=O)=N1 D25172 [0,1,0,0,0,0|0,0,1]=2 205 B9R1.23 CC1=CC(CCl)=NN1C C11366 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.23 CC1=CC(CN)=NN1C A11367 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.23 CC1=CC(CO)=NN1C H11365 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.23 CCC1=NC(C)=C(Br)S1 B43293 [0,1,0,0,0,0|1,0,0]=2 209 B9R1.23 CCN1C=C(N)C(C)=N1 A15545 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.23 CCN1C=C(N)C(C)=N1 E61343 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.37 CC1=C(Br)SC(Br)=C1Br T40559 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.37 CC1=NN(C)C(C)=C1Br B39280 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.37 CC1=NN(C)C(C)=C1N A43436 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.37 CC1=NN(C)C(C)=C1N T41491 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.37 CC1=NN(C)C(N)=C1Br B22143 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.34 CC1=CC(=O)C=C(C)N1 D4504 [0,0,0,0,0,1|2,0,1]=4 217 B9R1.34 CC1=CC(=O)NC(N)=N1 A61030 [0,0,0,0,0,1|3,0,0]=4 218 B9R1.34 CC1=CC(Br)=CC(Br)=N1 D25404 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.34 CC1=CC(Br)=CC(C)=N1 B32225 [0,0,0,0,0,1|2,0,0]=3 220 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 B42535 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.34 CC1=CC(Br)=CC(F)=N1 B42552 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.34 CC1=CC(Br)=CC(N)=N1 B32094 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.34 CC1=CC(Br)=CC(O)=N1 B25850 [0,0,0,0,0,1|3,0,0]=4 224 B9R1.34 CC1=CC(Br)=NC(Br)=C1 D25098 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.34 CC1=CC(Br)=NC(C)=C1 B23884 [0,0,0,0,0,1|2,0,0]=3 226 B9R1.34 CC1=CC(Br)=NC(C)=N1 B42970 [0,0,0,0,0,1|2,0,0]=3 227 B9R1.34 CC1=CC(Br)=NC(Cl)=C1 B42531 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.34 CC1=CC(Br)=NC(F)=C1 B42549 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.34 CC1=CC(Br)=NC(N)=C1 B25144 [0,0,0,0,0,1|3,0,0]=4 230 B9R1.34 CC1=CC(C)=CC(Br)=C1 B39512 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.34 CC1=CC(C)=CC(F)=C1 D49162 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.34 CC1=CC(C)=CC([Mg+])=C1 D31739 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.34 CC1=CC(C)=NC(Br)=N1 B38172 [0,0,0,0,0,1|2,0,0]=3 234 B9R1.34 CC1=CC(C)=NC(C)=C1 T69125 [0,0,0,0,0,1|1,0,0]=2 235 B9R1.34 CC1=CC(C)=NC(Cl)=N1 C42991 [0,0,0,0,0,1|2,0,0]=3 236 B9R1.34 CC1=CC(Cl)=CC(C)=N1 C36740 [0,0,0,0,0,1|2,0,0]=3 237 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 D5517 [0,0,0,0,0,1|3,0,0]=4 238 B9R1.34 CC1=CC(Cl)=CC(N)=N1 A69246 [0,0,0,0,0,1|3,0,0]=4 239 B9R1.34 CC1=CC(Cl)=NC(C)=C1 C46101 [0,0,0,0,0,1|2,0,0]=3 240 B9R1.34 CC1=CC(Cl)=NC(C)=N1 C23724 [0,0,0,0,0,1|2,0,0]=3 241 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 D4901 [0,0,0,0,0,1|3,0,0]=4 242 B9R1.34 CC1=CC(Cl)=NC(N)=C1 C43000 [0,0,0,0,0,1|3,0,0]=4 243 B9R1.34 CC1=CC(Cl)=NC(N)=N1 C67439 [0,0,0,0,0,1|3,0,0]=4 244 B9R1.34 CC1=CC(F)=CC(F)=N1 D36881 [0,0,0,0,0,1|3,0,0]=4 245 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C42583 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.34 CC1=CC(I)=CC(F)=N1 F39127 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.34 CC1=CC(N)=CC(Br)=N1 B9374 [0,0,0,0,0,1|3,0,0]=4 248 B9R1.34 CC1=CC(N)=CC(C)=N1 D3945 [0,0,0,0,0,1|2,0,0]=3 249 B9R1.34 CC1=CC(N)=CC(Cl)=N1 C25407 [0,0,0,0,0,1|3,0,0]=4 250 B9R1.34 CC1=CC(N)=NC(C)=C1 A43617 [0,0,0,0,0,1|2,0,0]=3 251 B9R1.34 CC1=CC(N)=NC(N)=C1 M43334 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.34 CC1=CC(O)=CC(O)=N1 M43137 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.34 CC1=CC(O)=CC(O)=N1 M43138 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.34 CC1=CC(O)=NC(C)=C1 D69531 [0,0,0,0,0,1|2,0,0]=3 255 B9R1.34 CC1=CC(O)=NC(C)=N1 D43193 [0,0,0,0,0,1|2,0,0]=3 256 B9R1.34 CC1=NC(Cl)=CC(Cl)=N1 D12378 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.34 CC1=NC(Cl)=NC(Cl)=C1 D24170 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.34 CC1=NC(Cl)=NC(N)=C1 C4013 [0,0,0,0,0,1|3,0,0]=4 259 B9R1.34 CC1=NC(N)=CC(Br)=N1 A41069 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.34 CC1=NC(N)=CC(Cl)=N1 A12377 [0,0,0,0,0,1|3,0,0]=4 261 B9R1.34 CC1=NC(N)=CC(I)=N1 A41087 [0,0,0,0,0,1|3,0,0]=4 262 B9R1.34 CC1=NC(N)=NC(N)=C1 M8871 [0,0,0,0,0,1|3,0,0]=4 263 B9R1.34 CC1=NC(O)=CC(O)=N1 D39176 [0,0,0,0,0,1|3,0,0]=4 264 B9R1.34 CC1=NC(O)=NC(N)=N1 A40205 [0,0,0,0,0,1|3,0,0]=4 265 B9R1.69 CC1=C(Br)C=C(Br)C=N1 D15335 [0,0,0,0,0,1|3,0,0]=4 266 B9R1.69 CC1=C(Br)C=C(Cl)N=C1 B9888 [0,0,0,0,0,1|3,0,0]=4 267 B9R1.69 CC1=C(Br)C=C(N)C=N1 B0530 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.69 CC1=C(Br)C=C(N)N=C1 B16154 [0,0,0,0,0,1|3,0,0]=4 269 B9R1.69 CC1=C(Br)C=C(O)C=N1 B22011 [0,0,0,0,0,1|3,0,0]=4 270 B9R1.69 CC1=C(Br)C=CC(Br)=N1 D23496 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 B18652 [0,0,0,0,0,1|3,0,0]=4 272 B9R1.69 CC1=C(Br)C=CC(F)=N1 B42551 [0,0,0,0,0,1|3,0,0]=4 273 B9R1.69 CC1=C(Br)C=CC(N)=N1 B5097 [0,0,0,0,0,1|3,0,0]=4 274 B9R1.69 CC1=C(Br)C=CC(O)=N1 B42887 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.69 CC1=C(Br)C=NC(=O)N1 B40923 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.69 CC1=C(Br)C=NC(Br)=N1 D69478 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.69 CC1=C(Br)C=NC(Cl)=C1 B25363 [0,0,0,0,0,1|3,0,0]=4 278 B9R1.69 CC1=C(Br)C=NC(Cl)=N1 B38659 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.69 CC1=C(Br)C=NC(F)=C1 B5184 [0,0,0,0,0,1|3,0,0]=4 280 B9R1.69 CC1=C(Br)C=NC(N)=C1 A5096 [0,0,0,0,0,1|3,0,0]=4 281 B9R1.69 CC1=C(Br)C=NC(N)=N1 A21812 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.69 CC1=C(Br)C=NC(O)=C1 B21661 [0,0,0,0,0,1|3,0,0]=4 283 B9R1.69 CC1=C(Br)N=C(Br)N=C1 D40704 [0,0,0,0,0,1|3,0,0]=4 284 B9R1.69 CC1=C(C)C=C(F)C=C1 F49166 [0,0,0,0,0,1|3,0,0]=4 285 B9R1.69 CC1=C(C)C=C(I)C=C1 K49170 [0,0,0,0,0,1|3,0,0]=4 286 B9R1.69 CC1=C(C)C=C([Mg+])C=C1 D31727 [0,0,0,0,0,1|3,0,0]=4 287 B9R1.69 CC1=C(C)N=C(Br)C=N1 B42969 [0,0,0,0,0,1|2,0,0]=3 288 B9R1.69 CC1=C(C)N=C(Cl)C=C1 C46102 [0,0,0,0,0,1|2,0,0]=3 289 B9R1.69 CC1=C(C)N=C(Cl)C=N1 C42990 [0,0,0,0,0,1|2,0,0]=3 290 B9R1.69 CC1=C(C)N=C(N)C=C1 D24371 [0,0,0,0,0,1|2,0,0]=3 291 B9R1.69 CC1=C(C)N=C(N)C=N1 D24637 [0,0,0,0,0,1|2,0,0]=3 292 B9R1.69 CC1=C(C)N=C(N)N=C1 D43338 [0,0,0,0,0,1|2,0,0]=3 293 B9R1.69 CC1=C(C)NC(=O)C=N1 D43209 [0,0,0,0,0,1|2,0,0]=3 294 B9R1.69 CC1=C(Cl)C=C(N)N=C1 C42997 [0,0,0,0,0,1|3,0,0]=4 295 B9R1.69 CC1=C(Cl)C=C(O)C=N1 C42908 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 B42536 [0,0,0,0,0,1|3,0,0]=4 297 B9R1.69 CC1=C(Cl)C=CC(Cl)=N1 D42561 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.69 CC1=C(Cl)C=CC(N)=N1 C42999 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C42907 [0,0,0,0,0,1|3,0,0]=4 300 B9R1.69 CC1=C(Cl)C=NC(Cl)=N1 D40726 [0,0,0,0,0,1|3,0,0]=4 301 B9R1.69 CC1=C(Cl)C=NC(N)=C1 A4752 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.69 CC1=C(Cl)C=NC(N)=N1 C23537 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.69 CC1=C(Cl)C=NC(O)=C1 C42906 [0,0,0,0,0,1|3,0,0]=4 304 B9R1.69 CC1=C(Cl)N=C(Cl)N=C1 D4933 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.69 CC1=C(Cl)N=CC(Br)=N1 B63362 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.69 CC1=C(F)C=CC(Br)=N1 B4782 [0,0,0,0,0,1|3,0,0]=4 307 B9R1.69 CC1=C(F)C=CC(Cl)=N1 C26077 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.69 CC1=C(F)C=CC(N)=N1 A16597 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.69 CC1=C(F)C=NC(Cl)=N1 C37414 [0,0,0,0,0,1|3,0,0]=4 310 B9R1.69 CC1=C(F)C=NC(N)=C1 A43009 [0,0,0,0,0,1|3,0,0]=4 311 B9R1.69 CC1=C(I)C=C(Cl)N=C1 C42582 [0,0,0,0,0,1|3,0,0]=4 312 B9R1.69 CC1=C(I)C=C(F)N=C1 F1115 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.69 CC1=C(I)C=C(N)N=C1 I37305 [0,0,0,0,0,1|3,0,0]=4 314 B9R1.69 CC1=C(I)C=CC(F)=N1 F42596 [0,0,0,0,0,1|3,0,0]=4 315 B9R1.69 CC1=C(I)C=CC(N)=N1 K43025 [0,0,0,0,0,1|3,0,0]=4 316 B9R1.69 CC1=C(I)C=NC(Cl)=C1 C42585 [0,0,0,0,0,1|3,0,0]=4 317 B9R1.69 CC1=C(I)C=NC(F)=C1 F42595 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.69 CC1=C(I)C=NC(N)=C1 K43026 [0,0,0,0,0,1|3,0,0]=4 319 B9R1.69 CC1=C(N)C=CC(Br)=N1 A15124 [0,0,0,0,0,1|3,0,0]=4 320 B9R1.69 CC1=C(N)C=CC(Cl)=N1 A15123 [0,0,0,0,0,1|3,0,0]=4 321 B9R1.69 CC1=C(N)C=NC(Cl)=N1 C22182 [0,0,0,0,0,1|3,0,0]=4 322 B9R1.69 CC1=C(N)N=C(Br)C=C1 B26268 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.69 CC1=C(N)N=C(Cl)N=C1 A3364 [0,0,0,0,0,1|3,0,0]=4 324 B9R1.69 CC1=C(N)N=CC(Br)=N1 A37808 [0,0,0,0,0,1|3,0,0]=4 325 B9R1.69 CC1=C(O)C=CC(Br)=N1 B42888 [0,0,0,0,0,1|3,0,0]=4 326 B9R1.69 CC1=C(O)C=CC(Cl)=N1 C42909 [0,0,0,0,0,1|3,0,0]=4 327 B9R1.69 CC1=C(O)C=NC(Cl)=N1 C17952 [0,0,0,0,0,1|3,0,0]=4 328 B9R1.69 CC1=C(O)N=CC(Br)=N1 B37166 [0,0,0,0,0,1|3,0,0]=4 329 B9R1.69 CC1=CC(=O)NN=C1C D15899 [0,0,0,0,0,1|2,0,0]=3 330 B9R1.69 CC1=CC(=O)NN=C1Cl C40939 [0,0,0,0,0,1|3,0,0]=4 331 B9R1.69 CC1=CC(Br)=C(C)C=C1 D39511 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.69 CC1=CC(Br)=C(C)C=N1 B46084 [0,0,0,0,0,1|2,0,0]=3 333 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 B17532 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 B42532 [0,0,0,0,0,1|3,0,0]=4 335 B9R1.69 CC1=CC(Br)=C(F)C=N1 B32009 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.69 CC1=CC(Br)=C(F)N=C1 B2994 [0,0,0,0,0,1|3,0,0]=4 337 B9R1.69 CC1=CC(Br)=C(N)N=C1 B21800 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.69 CC1=CC(Br)=C(O)C=N1 B42884 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.69 CC1=CC(Br)=C(O)N=C1 B21801 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.69 CC1=CC(Br)=CN=C1Br D1477 [0,0,0,0,0,1|3,0,0]=4 341 B9R1.69 CC1=CC(Br)=CN=C1C B46085 [0,0,0,0,0,1|2,0,0]=3 342 B9R1.69 CC1=CC(Br)=CN=C1Cl B22875 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.69 CC1=CC(Br)=CN=C1F B2992 [0,0,0,0,0,1|3,0,0]=4 344 B9R1.69 CC1=CC(Br)=CN=C1N B42973 [0,0,0,0,0,1|3,0,0]=4 345 B9R1.69 CC1=CC(Br)=NC=C1Br D3209 [0,0,0,0,0,1|3,0,0]=4 346 B9R1.69 CC1=CC(Br)=NC=C1F B42548 [0,0,0,0,0,1|3,0,0]=4 347 B9R1.69 CC1=CC(Br)=NC=C1N B7909 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.69 CC1=CC(Br)=NN=C1Br D40705 [0,0,0,0,0,1|3,0,0]=4 349 B9R1.69 CC1=CC(C)=C(Br)C=C1 D39510 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.69 CC1=CC(C)=C(Br)C=N1 B46086 [0,0,0,0,0,1|2,0,0]=3 351 B9R1.69 CC1=CC(C)=C([Mg+])C=C1 D31735 [0,0,0,0,0,1|3,0,0]=4 352 B9R1.69 CC1=CC(C)=NN=C1Cl C1716 [0,0,0,0,0,1|2,0,0]=3 353 B9R1.69 CC1=CC(C)=NNC1=O D15210 [0,0,0,0,0,1|2,0,0]=3 354 B9R1.69 CC1=CC(Cl)=C(Br)C=N1 B12057 [0,0,0,0,0,1|3,0,0]=4 355 B9R1.69 CC1=CC(Cl)=C(N)N=C1 C61779 [0,0,0,0,0,1|3,0,0]=4 356 B9R1.69 CC1=CC(Cl)=CN=C1Br B8272 [0,0,0,0,0,1|3,0,0]=4 357 B9R1.69 CC1=CC(Cl)=CN=C1Cl D42560 [0,0,0,0,0,1|3,0,0]=4 358 B9R1.69 CC1=CC(Cl)=CN=C1N C42998 [0,0,0,0,0,1|3,0,0]=4 359 B9R1.69 CC1=CC(Cl)=CN=C1O C42905 [0,0,0,0,0,1|3,0,0]=4 360 B9R1.69 CC1=CC(Cl)=NC=C1F C42574 [0,0,0,0,0,1|3,0,0]=4 361 B9R1.69 CC1=CC(Cl)=NC=C1N C24814 [0,0,0,0,0,1|3,0,0]=4 362 B9R1.69 CC1=CC(Cl)=NN=C1Cl D1866 [0,0,0,0,0,1|3,0,0]=4 363 B9R1.69 CC1=CC(Cl)=NN=C1N C24688 [0,0,0,0,0,1|3,0,0]=4 364 B9R1.69 CC1=CC(Cl)=NNC1=O C40938 [0,0,0,0,0,1|3,0,0]=4 365 B9R1.69 CC1=CC(F)=C(C)C=C1 F49165 [0,0,0,0,0,1|3,0,0]=4 366 B9R1.69 CC1=CC(F)=C(N)N=C1 F43015 [0,0,0,0,0,1|3,0,0]=4 367 B9R1.69 CC1=CC(F)=CN=C1Br B23405 [0,0,0,0,0,1|3,0,0]=4 368 B9R1.69 CC1=CC(F)=CN=C1Cl C42569 [0,0,0,0,0,1|3,0,0]=4 369 B9R1.69 CC1=CC(F)=CN=C1N F43018 [0,0,0,0,0,1|3,0,0]=4 370 B9R1.69 CC1=CC(F)=NC=C1O F42929 [0,0,0,0,0,1|3,0,0]=4 371 B9R1.69 CC1=CC(I)=C(F)N=C1 F6510 [0,0,0,0,0,1|3,0,0]=4 372 B9R1.69 CC1=CC(I)=C(N)N=C1 I29765 [0,0,0,0,0,1|3,0,0]=4 373 B9R1.69 CC1=CC(I)=CN=C1Br B42556 [0,0,0,0,0,1|3,0,0]=4 374 B9R1.69 CC1=CC(I)=CN=C1Cl C42584 [0,0,0,0,0,1|3,0,0]=4 375 B9R1.69 CC1=CC(I)=CN=C1N K43024 [0,0,0,0,0,1|3,0,0]=4 376 B9R1.69 CC1=CC(I)=CN=C1O K42936 [0,0,0,0,0,1|3,0,0]=4 377 B9R1.69 CC1=CC(N)=C(Br)C=N1 A1741 [0,0,0,0,0,1|3,0,0]=4 378 B9R1.69 CC1=CC(N)=C(Cl)C=N1 C26973 [0,0,0,0,0,1|3,0,0]=4 379 B9R1.69 CC1=CC(N)=C(I)C=N1 K43023 [0,0,0,0,0,1|3,0,0]=4 380 B9R1.69 CC1=CC(N)=CN=C1Br A42967 [0,0,0,0,0,1|3,0,0]=4 381 B9R1.69 CC1=CC(N)=CN=C1C D43613 [0,0,0,0,0,1|2,0,0]=3 382 B9R1.69 CC1=CC(N)=CN=C1Cl C23404 [0,0,0,0,0,1|3,0,0]=4 383 B9R1.69 CC1=CC(N)=CN=C1F F43017 [0,0,0,0,0,1|3,0,0]=4 384 B9R1.69 CC1=CC(N)=NN=C1Cl C24788 [0,0,0,0,0,1|3,0,0]=4 385 B9R1.69 CC1=CC(O)=C(Br)C=N1 B42886 [0,0,0,0,0,1|3,0,0]=4 386 B9R1.69 CC1=CC(O)=CN=C1Br B42893 [0,0,0,0,0,1|3,0,0]=4 387 B9R1.69 CC1=CC(O)=CN=C1Cl C15197 [0,0,0,0,0,1|3,0,0]=4 388 B9R1.69 CC1=CC(O)=CN=C1F F62152 [0,0,0,0,0,1|3,0,0]=4 389 B9R1.69 CC1=CC([Mg+])=C(C)C=C1 D31736 [0,0,0,0,0,1|3,0,0]=4 390 B9R1.69 CC1=CC=C(Br)C(Br)=N1 D42515 [0,0,0,0,0,1|3,0,0]=4 391 B9R1.69 CC1=CC=C(C)C(N)=N1 D43611 [0,0,0,0,0,1|2,0,0]=3 392 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 D42559 [0,0,0,0,0,1|3,0,0]=4 393 B9R1.69 CC1=CC=C(Cl)N=C1Cl D24399 [0,0,0,0,0,1|3,0,0]=4 394 B9R1.69 CC1=CC=C(F)C(Br)=N1 B23352 [0,0,0,0,0,1|3,0,0]=4 395 B9R1.69 CC1=CC=C(F)C(Cl)=N1 C42573 [0,0,0,0,0,1|3,0,0]=4 396 B9R1.69 CC1=CC=C(F)N=C1Br B17536 [0,0,0,0,0,1|3,0,0]=4 397 B9R1.69 CC1=CC=C(N)C(Br)=N1 B37081 [0,0,0,0,0,1|3,0,0]=4 398 B9R1.69 CC1=CC=C(N)C(C)=N1 D43608 [0,0,0,0,0,1|2,0,0]=3 399 B9R1.69 CC1=CC=C(N)C(Cl)=N1 A42987 [0,0,0,0,0,1|3,0,0]=4 400 B9R1.69 CC1=CC=C(N)C(I)=N1 K43022 [0,0,0,0,0,1|3,0,0]=4 401 B9R1.69 CC1=CC=C(N)N=C1Br B26269 [0,0,0,0,0,1|3,0,0]=4 402 B9R1.69 CC1=CC=C(N)N=C1Cl C23697 [0,0,0,0,0,1|3,0,0]=4 403 B9R1.69 CC1=CC=C(N)N=C1N M43333 [0,0,0,0,0,1|3,0,0]=4 404 B9R1.69 CC1=CC=C(O)C(Br)=N1 B1020 [0,0,0,0,0,1|3,0,0]=4 405 B9R1.69 CC1=CC=C(O)C(F)=N1 F42928 [0,0,0,0,0,1|3,0,0]=4 406 B9R1.69 CC1=CC=C(O)C(I)=N1 H37772 [0,0,0,0,0,1|3,0,0]=4 407 B9R1.69 CC1=CN=C(Br)C(Br)=C1 D42517 [0,0,0,0,0,1|3,0,0]=4 408 B9R1.69 CC1=CN=C(Br)C(C)=C1 B46080 [0,0,0,0,0,1|2,0,0]=3 409 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 B42530 [0,0,0,0,0,1|3,0,0]=4 410 B9R1.69 CC1=CN=C(Br)C(F)=C1 B13540 [0,0,0,0,0,1|3,0,0]=4 411 B9R1.69 CC1=CN=C(Br)C(N)=C1 A42977 [0,0,0,0,0,1|3,0,0]=4 412 B9R1.69 CC1=CN=C(Br)C=C1Br D32049 [0,0,0,0,0,1|3,0,0]=4 413 B9R1.69 CC1=CN=C(Br)C=C1Cl B37311 [0,0,0,0,0,1|3,0,0]=4 414 B9R1.69 CC1=CN=C(Br)C=C1N B25405 [0,0,0,0,0,1|3,0,0]=4 415 B9R1.69 CC1=CN=C(C)C(C)=C1 T39433 [0,0,0,0,0,1|1,0,0]=2 416 B9R1.69 CC1=CN=C(C)C(Cl)=N1 C42989 [0,0,0,0,0,1|2,0,0]=3 417 B9R1.69 CC1=CN=C(C)C(I)=N1 K43021 [0,0,0,0,0,1|2,0,0]=3 418 B9R1.69 CC1=CN=C(C)C(N)=N1 D32397 [0,0,0,0,0,1|2,0,0]=3 419 B9R1.69 CC1=CN=C(C)C=C1N D22447 [0,0,0,0,0,1|2,0,0]=3 420 B9R1.69 CC1=CN=C(C)N=C1N D43337 [0,0,0,0,0,1|2,0,0]=3 421 B9R1.69 CC1=CN=C(Cl)C(C)=N1 C42988 [0,0,0,0,0,1|2,0,0]=3 422 B9R1.69 CC1=CN=C(Cl)C(Cl)=C1 D42558 [0,0,0,0,0,1|3,0,0]=4 423 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 D40725 [0,0,0,0,0,1|3,0,0]=4 424 B9R1.69 CC1=CN=C(Cl)C(F)=C1 C42572 [0,0,0,0,0,1|3,0,0]=4 425 B9R1.69 CC1=CN=C(Cl)C(N)=C1 C42993 [0,0,0,0,0,1|3,0,0]=4 426 B9R1.69 CC1=CN=C(Cl)C(N)=N1 C39122 [0,0,0,0,0,1|3,0,0]=4 427 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C42904 [0,0,0,0,0,1|3,0,0]=4 428 B9R1.69 CC1=CN=C(Cl)C=C1Cl D38063 [0,0,0,0,0,1|3,0,0]=4 429 B9R1.69 CC1=CN=C(Cl)C=C1F C37310 [0,0,0,0,0,1|3,0,0]=4 430 B9R1.69 CC1=CN=C(Cl)C=C1N C25406 [0,0,0,0,0,1|3,0,0]=4 431 B9R1.69 CC1=CN=C(I)C(C)=N1 K63360 [0,0,0,0,0,1|2,0,0]=3 432 B9R1.69 CC1=CN=C(N)C(=O)N1 A41143 [0,0,0,0,0,1|3,0,0]=4 433 B9R1.69 CC1=CN=C(N)C(Br)=N1 B41061 [0,0,0,0,0,1|3,0,0]=4 434 B9R1.69 CC1=CN=C(N)C(C)=C1 D43610 [0,0,0,0,0,1|2,0,0]=3 435 B9R1.69 CC1=CN=C(N)C(Cl)=N1 C41076 [0,0,0,0,0,1|3,0,0]=4 436 B9R1.69 CC1=CN=C(N)C(N)=C1 D43331 [0,0,0,0,0,1|3,0,0]=4 437 B9R1.69 CC1=CN=C(N)C=C1C D43612 [0,0,0,0,0,1|2,0,0]=3 438 B9R1.69 CC1=CN=C(N)N=C1Cl C10001 [0,0,0,0,0,1|3,0,0]=4 439 B9R1.69 CC1=CN=C(N)NC1=O A63134 [0,0,0,0,0,1|3,0,0]=4 440 B9R1.69 CC1=CN=C(O)C=C1N A43204 [0,0,0,0,0,1|3,0,0]=4 441 B9R1.69 CC1=CNC(=O)C(C)=N1 D69506 [0,0,0,0,0,1|2,0,0]=3 442 B9R1.69 CC1=CNC(=O)C(Cl)=N1 C40933 [0,0,0,0,0,1|3,0,0]=4 443 B9R1.69 CC1=NC(C)=C(Br)C=C1 B46082 [0,0,0,0,0,1|2,0,0]=3 444 B9R1.69 CC1=NC(C)=C(Br)C=N1 B42971 [0,0,0,0,0,1|2,0,0]=3 445 B9R1.69 CC1=NC(C)=C(N)C=N1 D43336 [0,0,0,0,0,1|2,0,0]=3 446 B9R1.69 CC1=NC(C)=C(O)C=C1 D67987 [0,0,0,0,0,1|2,0,0]=3 447 B9R1.69 CC1=NC(C)=C(O)C=N1 D43192 [0,0,0,0,0,1|2,0,0]=3 448 B9R1.69 CC1=NC(Cl)=C(Br)C=C1 B42526 [0,0,0,0,0,1|3,0,0]=4 449 B9R1.69 CC1=NC(Cl)=C(Br)C=N1 B25786 [0,0,0,0,0,1|3,0,0]=4 450 B9R1.69 CC1=NC(F)=C(Br)C=C1 B42546 [0,0,0,0,0,1|3,0,0]=4 451 B9R1.69 CC1=NC(F)=C(I)C=C1 F42594 [0,0,0,0,0,1|3,0,0]=4 452 B9R1.69 CC1=NC(N)=C(Br)C=C1 B18303 [0,0,0,0,0,1|3,0,0]=4 453 B9R1.69 CC1=NC(N)=C(Br)C=N1 B41065 [0,0,0,0,0,1|3,0,0]=4 454 B9R1.69 CC1=NC(N)=C(Cl)C=N1 C41080 [0,0,0,0,0,1|3,0,0]=4 455 B9R1.69 CC1=NC(N)=C(F)C=N1 F41083 [0,0,0,0,0,1|3,0,0]=4 456 B9R1.69 CC1=NC(N)=C(I)C=C1 K61473 [0,0,0,0,0,1|3,0,0]=4 457 B9R1.69 CC1=NC(N)=C(O)C=C1 A43201 [0,0,0,0,0,1|3,0,0]=4 458 B9R1.69 CC1=NC(N)=CN=C1Br B41062 [0,0,0,0,0,1|3,0,0]=4 459 B9R1.69 CC1=NC(N)=CN=C1Cl C23741 [0,0,0,0,0,1|3,0,0]=4 460 B9R1.69 CC1=NC(O)=C(Br)C=C1 B42882 [0,0,0,0,0,1|3,0,0]=4 461 B9R1.69 CC1=NC(O)=C(Br)C=N1 B40917 [0,0,0,0,0,1|3,0,0]=4 462 B9R1.69 CC1=NC(O)=C(F)C=N1 F40940 [0,0,0,0,0,1|3,0,0]=4 463 B9R1.69 CC1=NC=C(Br)C=C1Cl B8062 [0,0,0,0,0,1|3,0,0]=4 464 B9R1.69 CC1=NC=C(Br)C=C1F B16887 [0,0,0,0,0,1|3,0,0]=4 465 B9R1.69 CC1=NC=C(Br)C=C1N A0082 [0,0,0,0,0,1|3,0,0]=4 466 B9R1.69 CC1=NC=C(Br)C=C1O B42885 [0,0,0,0,0,1|3,0,0]=4 467 B9R1.69 CC1=NC=C(Cl)C(=O)N1 C40935 [0,0,0,0,0,1|3,0,0]=4 468 B9R1.69 CC1=NC=C(Cl)C(Cl)=N1 D40727 [0,0,0,0,0,1|3,0,0]=4 469 B9R1.69 CC1=NC=C(Cl)C=C1N A1755 [0,0,0,0,0,1|3,0,0]=4 470 B9R1.69 CC1=NC=C(F)C(Cl)=N1 C36910 [0,0,0,0,0,1|3,0,0]=4 471 B9R1.69 CC1=NC=C(N)C(Cl)=N1 C41079 [0,0,0,0,0,1|3,0,0]=4 472 B9R1.69 CC1=NC=C(N)N=C1Br B41063 [0,0,0,0,0,1|3,0,0]=4 473 B9R1.69 CC1=NN=C(Cl)C=C1Cl D32267 [0,0,0,0,0,1|3,0,0]=4 474 B9R1.69 CC1=NNC(=O)C(Br)=C1 B38674 [0,0,0,0,0,1|3,0,0]=4 475 B9R1.69 CC1=NNC(=O)C(N)=C1 A19341 [0,0,0,0,0,1|3,0,0]=4 476 B6R1.2 BrC1=CC=CS1 B69329 [2,0,0,0,0,0|2,0,0]=4 477 B6R1.2 BrC1=CN=CS1 B2349 [2,0,0,0,0,0|1,0,0]=3 478 B6R1.2 BrC1=CNC=N1 B2477 [2,0,0,0,0,0|2,0,0]=4 479 B6R1.2 BrC1=CSC=C1 B39148 [2,0,0,0,0,0|2,0,0]=4 480 B6R1.2 BrC1=CSC=N1 B2171 [2,0,0,0,0,0|1,0,0]=3 481 B6R1.2 BrC1=NC=CN1 B2807 [2,0,0,0,0,0|2,0,0]=4 482 B6R1.2 BrC1=NC=CS1 B2607 [2,0,0,0,0,0|1,0,0]=3 483 B6R1.2 BrC1=NC=NS1 B38787 [2,0,0,0,0,0|2,0,0]=4 484 B6R1.2 BrC1=NN=CS1 B11248 [2,0,0,0,0,0|2,0,0]=4 485 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|1,0,1]=4 486 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|1,0,0]=3 487 B6R1.2 CC1=CC=NO1 M24354 [2,0,0,0,0,0|2,0,0]=4 488 B6R1.2 CC1=CN=CS1 M40166 [2,0,0,0,0,0|0,0,0]=2 489 B6R1.2 CC1=CNC=C1 M14657 [2,0,0,0,0,0|1,0,1]=4 490 B6R1.2 CC1=COC=N1 M13405 [2,0,0,0,0,0|0,1,0]=3 491 B6R1.2 CC1=CSC=N1 M24933 [2,0,0,0,0,0|0,0,0]=2 492 B6R1.2 CC1=NC=CS1 M40165 [2,0,0,0,0,0|0,0,0]=2 493 B6R1.2 CC1=NN=CN1 M15832 [2,0,0,0,0,0|2,0,0]=4 494 B6R1.2 CC1=NN=CO1 M32022 [2,0,0,0,0,0|1,1,0]=4 495 B6R1.2 CC1=NNC=C1 M36663 [2,0,0,0,0,0|2,0,0]=4 496 B6R1.2 CC1=NOC=C1 M40157 [2,0,0,0,0,0|2,0,0]=4 497 B6R1.2 CC1=NON=C1 M62158 [2,0,0,0,0,0|2,0,0]=4 498 B6R1.2 CN1C=CC=N1 M12066 [2,0,0,0,0,0|2,0,0]=4 499 B6R1.2 CN1C=CN=C1 M68061 [2,0,0,0,0,0|2,0,0]=4 500 B6R1.2 CN1C=NC=N1 M64922 [2,0,0,0,0,0|2,0,0]=4 501 B6R1.2 ClC1=CN=CN1 C38031 [2,0,0,0,0,0|2,0,0]=4 502 B6R1.2 ClC1=CSC=C1 C40018 [2,0,0,0,0,0|2,0,0]=4 503 B6R1.2 ClC1=CSC=N1 C9773 [2,0,0,0,0,0|1,0,0]=3 504 B6R1.2 ClC1=NC=CN1 C38255 [2,0,0,0,0,0|2,0,0]=4 505 B6R1.2 ClC1=NC=CS1 C2694 [2,0,0,0,0,0|1,0,0]=3 506 B6R1.2 ClC1=NC=NS1 C39789 [2,0,0,0,0,0|2,0,0]=4 507 B6R1.2 IC1=CC=CS1 K39149 [2,0,0,0,0,0|2,0,0]=4 508 B6R1.2 IC1=CN=CN1 I2351 [2,0,0,0,0,0|2,0,0]=4 509 B6R1.2 IC1=CSC=C1 K40019 [2,0,0,0,0,0|2,0,0]=4 510 B6R1.2 IC1=NC=CO1 I11270 [2,0,0,0,0,0|1,1,0]=4 511 B6R1.2 NC1=CN=CN1 I37101 [2,0,0,0,0,0|2,0,0]=4 512 B6R1.2 NC1=CN=CS1 T39907 [2,0,0,0,0,0|1,0,0]=3 513 B6R1.2 NC1=CN=NS1 T39765 [2,0,0,0,0,0|2,0,0]=4 514 B6R1.2 NC1=CNC=N1 I37475 [2,0,0,0,0,0|2,0,0]=4 515 B6R1.2 NC1=COC=N1 X36633 [2,0,0,0,0,0|1,1,0]=4 516 B6R1.2 NC1=CSC=C1 A40167 [2,0,0,0,0,0|2,0,0]=4 517 B6R1.2 NC1=CSC=C1 T10330 [2,0,0,0,0,0|2,0,0]=4 518 B6R1.2 NC1=CSC=C1 T64858 [2,0,0,0,0,0|2,0,0]=4 519 B6R1.2 NC1=CSC=N1 T39908 [2,0,0,0,0,0|1,0,0]=3 520 B6R1.2 NC1=NC=CN1 A28762 [2,0,0,0,0,0|2,0,0]=4 521 B6R1.2 NC1=NC=CN1 A39803 [2,0,0,0,0,0|2,0,0]=4 522 B6R1.2 NC1=NC=CO1 O5740 [2,0,0,0,0,0|1,1,0]=4 523 B6R1.2 NC1=NC=CS1 T39140 [2,0,0,0,0,0|1,0,0]=3 524 B6R1.2 NC1=NC=NS1 T39794 [2,0,0,0,0,0|2,0,0]=4 525 B6R1.2 NC1=NC=NS1 T39799 [2,0,0,0,0,0|2,0,0]=4 526 B6R1.2 NC1=NC=NS1 T61256 [2,0,0,0,0,0|2,0,0]=4 527 B6R1.2 NC1=NN=CS1 T69243 [2,0,0,0,0,0|2,0,0]=4 528 B6R1.2 OC1=NC=CS1 H39829 [2,0,0,0,0,0|1,0,0]=3 529 B8R1.1 C#CC1=NC(C)=CS1 E42681 [1,1,0,0,0,0|0,0,1]=3 530 B8R1.1 CC1=CC(C=O)=CS1 M29797 [1,1,0,0,0,0|1,0,1]=4 531 B8R1.1 CC1=CC(CN)=NO1 M15781 [1,1,0,0,0,0|2,0,0]=4 532 B8R1.1 CC1=CC=C(C#N)S1 M12843 [1,1,0,0,0,0|1,0,1]=4 533 B8R1.1 CC1=CC=C(C=O)S1 M39272 [1,1,0,0,0,0|1,0,1]=4 534 B8R1.1 CC1=CC=C(CN)O1 M37131 [1,1,0,0,0,0|1,1,0]=4 535 B8R1.1 CC1=CC=C(CO)O1 M43304 [1,1,0,0,0,0|1,1,0]=4 536 B8R1.1 CC1=CN=C(C=O)S1 M19270 [1,1,0,0,0,0|0,0,1]=3 537 B8R1.1 CC1=CN=C(CO)S1 M41173 [1,1,0,0,0,0|0,0,0]=2 538 B8R1.1 CC1=CNC(C#N)=N1 M40951 [1,1,0,0,0,0|1,0,1]=4 539 B8R1.1 CC1=COC(C=O)=N1 M12937 [1,1,0,0,0,0|0,1,1]=4 540 B8R1.1 CC1=CSC(C#N)=N1 M8139 [1,1,0,0,0,0|0,0,1]=3 541 B8R1.1 CC1=CSC(C=O)=C1 M42959 [1,1,0,0,0,0|1,0,1]=4 542 B8R1.1 CC1=CSC(C=O)=N1 M14992 [1,1,0,0,0,0|0,0,1]=3 543 B8R1.1 CC1=CSC(CN)=N1 M64512 [1,1,0,0,0,0|0,0,0]=2 544 B8R1.1 CC1=NC(C=O)=CO1 M3278 [1,1,0,0,0,0|0,1,1]=4 545 B8R1.1 CC1=NC(C=O)=CS1 F2075 [1,1,0,0,0,0|0,0,1]=3 546 B8R1.1 CC1=NC(CCl)=NO1 C40128 [1,1,0,0,0,0|1,1,0]=4 547 B8R1.1 CC1=NC(CN)=CO1 M41196 [1,1,0,0,0,0|0,1,0]=3 548 B8R1.1 CC1=NC(CN)=CO1 M41310 [1,1,0,0,0,0|0,1,0]=3 549 B8R1.1 CC1=NC=C(C=O)S1 F2897 [1,1,0,0,0,0|0,0,1]=3 550 B8R1.1 CC1=NC=C(CBr)S1 B41111 [1,1,0,0,0,0|0,0,0]=2 551 B8R1.1 CC1=NC=C(CN)O1 M41197 [1,1,0,0,0,0|0,1,0]=3 552 B8R1.1 CC1=NC=C(CO)O1 M37561 [1,1,0,0,0,0|0,1,0]=3 553 B8R1.1 CC1=NC=C(CO)S1 M1967 [1,1,0,0,0,0|0,0,0]=2 554 B8R1.1 CC1=NN=C(CCl)S1 M66901 [1,1,0,0,0,0|1,0,0]=3 555 B8R1.1 CC1=NOC(CN)=C1 M41364 [1,1,0,0,0,0|2,0,0]=4 556 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,1,0,0,0,0|1,0,0]=3 557 B8R1.1 CCC1=CN=C(C)N1 E41428 [1,1,0,0,0,0|1,0,0]=3 558 B8R1.1 CCC1=CN=C(N)S1 E41203 [1,1,0,0,0,0|1,0,0]=3 559 B8R1.1 CCC1=CN=C(N)S1 E69753 [1,1,0,0,0,0|1,0,0]=3 560 B8R1.1 CCC1=NC(C)=CS1 E43395 [1,1,0,0,0,0|0,0,0]=2 561 B8R1.1 CN1C=C(CBr)C=N1 B27149 [1,1,0,0,0,0|2,0,0]=4 562 B8R1.1 CN1C=C(CN)C=N1 M16591 [1,1,0,0,0,0|2,0,0]=4 563 B8R1.1 CN1C=C(CN)C=N1 M17032 [1,1,0,0,0,0|2,0,0]=4 564 B8R1.1 CN1C=C(CN)C=N1 M9443 [1,1,0,0,0,0|2,0,0]=4 565 B8R1.1 CN1C=C(CO)C=N1 M10343 [1,1,0,0,0,0|2,0,0]=4 566 B8R1.1 CN1C=CC(CCl)=N1 C25609 [1,1,0,0,0,0|2,0,0]=4 567 B8R1.1 CN1C=CC(CN)=N1 M9952 [1,1,0,0,0,0|2,0,0]=4 568 B8R1.1 CN1C=CC(CO)=N1 M9953 [1,1,0,0,0,0|2,0,0]=4 569 B8R1.1 CN1C=NC(CCl)=C1 C21803 [1,1,0,0,0,0|2,0,0]=4 570 B8R1.1 CN1C=NC(CCl)=N1 C40197 [1,1,0,0,0,0|2,0,0]=4 571 B8R1.1 CN1C=NC(CN)=C1 A11226 [1,1,0,0,0,0|2,0,0]=4 572 B8R1.1 CN1C=NC(CN)=C1 A11227 [1,1,0,0,0,0|2,0,0]=4 573 B8R1.1 CN1C=NC(CN)=C1 A29740 [1,1,0,0,0,0|2,0,0]=4 574 B8R1.1 CN1C=NC(CN)=N1 A14790 [1,1,0,0,0,0|2,0,0]=4 575 B8R1.1 CN1C=NC(CN)=N1 M29766 [1,1,0,0,0,0|2,0,0]=4 576 B8R1.1 CN1C=NC(CO)=C1 M12982 [1,1,0,0,0,0|2,0,0]=4 577 B8R1.1 CN1C=NC(CO)=N1 M14789 [1,1,0,0,0,0|2,0,0]=4 578 B8R1.1 CNC1=CN(C)N=C1 D41402 [1,1,0,0,0,0|2,0,0]=4 579 B8R1.1 CNC1=NN=C(Br)S1 B36789 [1,1,0,0,0,0|2,0,0]=4 580 B8R1.1 COC1=NC(Br)=CS1 B2259 [1,1,0,0,0,0|1,0,0]=3 581 B8R1.1 COC1=NC=C(Br)S1 B2563 [1,1,0,0,0,0|1,0,0]=3 582 B8R1.1 CSC1=CN=C(N)S1 M40191 [1,1,0,0,0,0|1,0,0]=3 583 B8R1.1 CSC1=NC(Br)=CS1 T2262 [1,1,0,0,0,0|1,0,0]=3 584 B8R1.1 ClCC1=CC=C(Cl)S1 C40699 [1,1,0,0,0,0|2,0,0]=4 585 B8R1.1 ClCC1=CN=C(Cl)S1 C2059 [1,1,0,0,0,0|1,0,0]=3 586 B8R1.1 ClCC1=CSC(Cl)=N1 C2721 [1,1,0,0,0,0|1,0,0]=3 587 B8R1.1 N#CC1=CN=C(Br)S1 B36697 [1,1,0,0,0,0|1,0,1]=4 588 B8R1.1 N#CC1=CN=C(Cl)S1 C3295 [1,1,0,0,0,0|1,0,1]=4 589 B8R1.1 N#CC1=CSC(Br)=N1 B40276 [1,1,0,0,0,0|1,0,1]=4 590 B8R1.1 N#CC1=CSC(Cl)=N1 C26740 [1,1,0,0,0,0|1,0,1]=4 591 B8R1.1 N#CC1=CSC(N)=N1 A40059 [1,1,0,0,0,0|1,0,1]=4 592 B8R1.1 N#CC1=NC(Br)=CS1 B13694 [1,1,0,0,0,0|1,0,1]=4 593 B8R1.1 N#CC1=NC(Cl)=CS1 C7757 [1,1,0,0,0,0|1,0,1]=4 594 B8R1.1 N#CC1=NC=C(Br)S1 B13059 [1,1,0,0,0,0|1,0,1]=4 595 B8R1.1 N#CC1=NC=C(Cl)S1 C13064 [1,1,0,0,0,0|1,0,1]=4 596 B8R1.1 NC1=NC(CCl)=CS1 A2564 [1,1,0,0,0,0|1,0,0]=3 597 B8R1.1 NC1=NC(CO)=CS1 A40186 [1,1,0,0,0,0|1,0,0]=3 598 B8R1.1 NC1=NC=C(C=O)S1 A2114 [1,1,0,0,0,0|1,0,1]=4 599 B8R1.1 NC1=NC=C(C=O)S1 A40321 [1,1,0,0,0,0|1,0,1]=4 600 B8R1.1 NC1=NC=C(CO)S1 A40187 [1,1,0,0,0,0|1,0,0]=3 601 B8R1.1 NCC1=CC(Br)=CS1 B41112 [1,1,0,0,0,0|2,0,0]=4 602 B8R1.1 NCC1=CC=C(Br)S1 A12757 [1,1,0,0,0,0|2,0,0]=4 603 B8R1.1 NCC1=CC=C(Cl)S1 A12836 [1,1,0,0,0,0|2,0,0]=4 604 B8R1.1 NCC1=CC=C(Cl)S1 C27089 [1,1,0,0,0,0|2,0,0]=4 605 B8R1.1 NCC1=CC=C(F)S1 F8124 [1,1,0,0,0,0|2,0,0]=4 606 B8R1.1 NCC1=CN=C(Cl)S1 C40120 [1,1,0,0,0,0|1,0,0]=3 607 B8R1.1 NCC1=CSC(Br)=C1 B16484 [1,1,0,0,0,0|2,0,0]=4 608 B8R1.1 NCC1=CSC(Cl)=C1 C7665 [1,1,0,0,0,0|2,0,0]=4 609 B8R1.1 NCC1=NC=C(Br)S1 B10574 [1,1,0,0,0,0|1,0,0]=3 610 B8R1.1 NCC1=NC=C(Br)S1 B13057 [1,1,0,0,0,0|1,0,0]=3 611 B8R1.1 NCC1=NC=C(Cl)S1 C13932 [1,1,0,0,0,0|1,0,0]=3 612 B8R1.1 O=CC1=CN=C(Br)S1 B2119 [1,1,0,0,0,0|1,0,1]=4 613 B8R1.1 O=CC1=CN=C(Cl)S1 C5784 [1,1,0,0,0,0|1,0,1]=4 614 B8R1.1 O=CC1=CSC(Br)=N1 B2118 [1,1,0,0,0,0|1,0,1]=4 615 B8R1.1 O=CC1=CSC(Cl)=N1 C2764 [1,1,0,0,0,0|1,0,1]=4 616 B8R1.1 O=CC1=NC(Br)=CS1 B2070 [1,1,0,0,0,0|1,0,1]=4 617 B8R1.1 O=CC1=NC=C(Br)S1 B2465 [1,1,0,0,0,0|1,0,1]=4 618 B8R1.1 O=CC1=NC=C(Cl)S1 C9512 [1,1,0,0,0,0|1,0,1]=4 619 B8R1.1 OCC1=CC(Br)=CS1 B12759 [1,1,0,0,0,0|2,0,0]=4 620 B8R1.1 OCC1=CC(Cl)=CS1 C7722 [1,1,0,0,0,0|2,0,0]=4 621 B8R1.1 OCC1=CC=C(Br)S1 B12756 [1,1,0,0,0,0|2,0,0]=4 622 B8R1.1 OCC1=CC=C(Br)S1 B41016 [1,1,0,0,0,0|2,0,0]=4 623 B8R1.1 OCC1=CC=C(Cl)S1 C1567 [1,1,0,0,0,0|2,0,0]=4 624 B8R1.1 OCC1=CC=C(F)S1 F8123 [1,1,0,0,0,0|2,0,0]=4 625 B8R1.1 OCC1=CN=C(Br)S1 B2127 [1,1,0,0,0,0|1,0,0]=3 626 B8R1.1 OCC1=CN=C(Cl)S1 C2061 [1,1,0,0,0,0|1,0,0]=3 627 B8R1.1 OCC1=COC(Br)=N1 B3572 [1,1,0,0,0,0|1,1,0]=4 628 B8R1.1 OCC1=CSC(Br)=N1 B2126 [1,1,0,0,0,0|1,0,0]=3 629 B8R1.1 OCC1=CSC(Cl)=C1 C7721 [1,1,0,0,0,0|2,0,0]=4 630 B8R1.1 OCC1=CSC(Cl)=N1 C2782 [1,1,0,0,0,0|1,0,0]=3 631 B8R1.1 OCC1=NC(Br)=CN1 B32450 [1,1,0,0,0,0|2,0,0]=4 632 B8R1.1 OCC1=NC(Br)=CS1 B10817 [1,1,0,0,0,0|1,0,0]=3 633 B8R1.1 OCC1=NC=C(Br)S1 B10575 [1,1,0,0,0,0|1,0,0]=3 634 B8R1.1 OCC1=NC=C(Cl)S1 C13054 [1,1,0,0,0,0|1,0,0]=3 635 B8R1.50 CC1=C(Br)N(C)N=C1 B19368 [1,1,0,0,0,0|2,0,0]=4 636 B8R1.50 CC1=NC=C(Br)N1C B41127 [1,1,0,0,0,0|2,0,0]=4 637 B8R1.50 CC1=NNC(C)=C1Br B39180 [1,1,0,0,0,0|2,0,0]=4 638 B8R1.50 CC1=NNC(C)=C1I D41133 [1,1,0,0,0,0|2,0,0]=4 639 B8R1.50 CC1=NOC(C)=C1Br B7571 [1,1,0,0,0,0|2,0,0]=4 640 B8R1.50 CC1=NOC(C)=C1I D39177 [1,1,0,0,0,0|2,0,0]=4 641 B8R1.11 BrCC1=C(Br)SC=C1 B7575 [1,1,0,0,0,0|2,0,0]=4 642 B8R1.11 CC1=C(C=O)N=CN1 M41031 [1,1,0,0,0,0|1,0,1]=4 643 B8R1.11 CC1=C(C=O)N=CS1 M41008 [1,1,0,0,0,0|0,0,1]=3 644 B8R1.11 CC1=C(C=O)SC=C1 M39271 [1,1,0,0,0,0|1,0,1]=4 645 B8R1.11 CC1=C(C=O)SC=N1 M41007 [1,1,0,0,0,0|0,0,1]=3 646 B8R1.11 CC1=C(CCl)NC=N1 C2452 [1,1,0,0,0,0|1,0,0]=3 647 B8R1.11 CC1=C(CO)NC=N1 H2822 [1,1,0,0,0,0|1,0,0]=3 648 B8R1.11 CC1=CNN=C1CO M63844 [1,1,0,0,0,0|2,0,0]=4 649 B8R1.11 CC1=NON=C1CN M61342 [1,1,0,0,0,0|2,0,0]=4 650 B8R1.11 CCC1=NC=CN1C E46632 [1,1,0,0,0,0|2,0,0]=4 651 B8R1.11 CCN1C=CN=C1C E63017 [1,1,0,0,0,0|2,0,0]=4 652 B8R1.11 CN1C=CN=C1CCl C41129 [1,1,0,0,0,0|2,0,0]=4 653 B8R1.11 CN1C=CN=C1CCl C41132 [1,1,0,0,0,0|2,0,0]=4 654 B8R1.11 CN1C=CN=C1CN A13925 [1,1,0,0,0,0|2,0,0]=4 655 B8R1.11 CN1C=CN=C1CO M41198 [1,1,0,0,0,0|2,0,0]=4 656 B8R1.11 CN1N=CC=C1CCl C41130 [1,1,0,0,0,0|2,0,0]=4 657 B8R1.11 CN1N=CC=C1CN M9954 [1,1,0,0,0,0|2,0,0]=4 658 B8R1.11 CSC1=C(C)OC=C1 M43319 [1,1,0,0,0,0|1,1,0]=4 659 B8R1.11 ClCC1=C(Cl)SC=C1 C37492 [1,1,0,0,0,0|2,0,0]=4 660 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [1,1,0,0,0,0|2,0,0]=4 661 B8R1.11 O=CC1=C(Cl)N=CS1 C40016 [1,1,0,0,0,0|1,0,1]=4 662 B8R1.11 OCC1=C(Br)C=CS1 B14083 [1,1,0,0,0,0|2,0,0]=4 663 B8R1.11 OCC1=C(Br)N=CS1 B38277 [1,1,0,0,0,0|1,0,0]=3 664 B8R1.11 OCC1=C(Br)SC=C1 B41017 [1,1,0,0,0,0|2,0,0]=4 665 B8R1.11 OCC1=C(Cl)C=CS1 C11289 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.8 CC1=CC(Br)=CC(CN)=N1 B38998 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.8 CC1=CC(Br)=CC(CO)=N1 B46176 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.8 CC1=CC(C#N)=CC(C)=N1 D48789 [0,1,0,0,0,1|1,0,1]=4 669 B10R1.8 CC1=CC(C)=CC(CBr)=C1 B49967 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.8 CC1=CC(C)=NC(CCl)=N1 C25169 [0,1,0,0,0,1|1,0,0]=3 671 B10R1.8 CC1=CC(C)=NC(CO)=N1 D24164 [0,1,0,0,0,1|1,0,0]=3 672 B10R1.8 CC1=CC(C)=NC(NN)=N1 H62403 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.8 CC1=CC(C=O)=CC(C)=N1 D38336 [0,1,0,0,0,1|1,0,1]=4 674 B10R1.8 CC1=CC(CCl)=CC(C)=N1 C37487 [0,1,0,0,0,1|1,0,0]=3 675 B10R1.8 CC1=CC(CO)=CC(C)=N1 D3612 [0,1,0,0,0,1|1,0,0]=3 676 B10R1.8 CCC1=CC(O)=NC(C)=N1 E43643 [0,1,0,0,0,1|2,0,0]=4 677 B10R1.8 CNC1=CC(C)=NC(Cl)=N1 C43276 [0,1,0,0,0,1|2,0,0]=4 678 B10R1.8 CNC1=CC(Cl)=NC(C)=N1 C43280 [0,1,0,0,0,1|2,0,0]=4 679 B10R1.8 COC1=CC(C)=CC(C)=C1 M50277 [0,1,0,0,0,1|2,0,0]=4 680 B10R1.8 COC1=CC(C)=CC(Cl)=N1 C38224 [0,1,0,0,0,1|2,0,0]=4 681 B10R1.8 COC1=CC(C)=NC(Br)=N1 B43058 [0,1,0,0,0,1|2,0,0]=4 682 B10R1.8 COC1=CC(C)=NC(Cl)=N1 C43073 [0,1,0,0,0,1|2,0,0]=4 683 B10R1.8 COC1=CC(Cl)=NC(C)=N1 C32260 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.8 COC1=NC(=O)C=C(C)N1 M43223 [0,1,0,0,0,1|2,0,0]=4 685 B10R1.8 COC1=NC(C)=CC(Br)=C1 B46171 [0,1,0,0,0,1|2,0,0]=4 686 B10R1.8 COC1=NC(C)=CC(C)=N1 M43634 [0,1,0,0,0,1|1,0,0]=3 687 B10R1.8 COC1=NC(C)=CC(Cl)=C1 C37303 [0,1,0,0,0,1|2,0,0]=4 688 B10R1.8 COC1=NC(C)=CC(N)=C1 M43639 [0,1,0,0,0,1|2,0,0]=4 689 B10R1.8 COC1=NC(C)=NC(C)=C1 M43636 [0,1,0,0,0,1|1,0,0]=3 690 B10R1.8 COC1=NC(C)=NC(N)=C1 M61760 [0,1,0,0,0,1|2,0,0]=4 691 B10R1.8 COC1=NC(N)=CC(C)=N1 M43355 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 C43007 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.8 CSC1=CC(Cl)=NC(C)=N1 C8046 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.8 CSC1=NC(=O)C=C(C)N1 M43259 [0,1,0,0,0,1|2,0,0]=4 695 B10R1.8 CSC1=NC(C)=CC(Cl)=N1 C6191 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.8 CSC1=NC(N)=CC(C)=N1 M43373 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.8 CSC1=NC(O)=NC(C)=C1 M43255 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.22 CC1=CC(Br)=NC(C)=C1Br D45762 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.22 CC1=CC(C)=C(Br)C(C)=C1 T39543 [0,1,0,0,0,1|2,0,0]=4 700 B10R1.22 CC1=CC(C)=C(I)C(C)=C1 T67936 [0,1,0,0,0,1|2,0,0]=4 701 B10R1.22 CC1=CC(C)=C(N)C(Br)=N1 B46279 [0,1,0,0,0,1|2,0,0]=4 702 B10R1.22 CC1=CC(C)=C([Mg+])C(C)=C1 T31756 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.22 CC1=CC(C)=[N+](F)C(C)=C1 F64058 [0,1,0,0,0,1|1,0,1]=4 704 B10R1.22 CC1=CC(Cl)=C(F)C(C)=N1 C36765 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.22 CC1=CC(Cl)=NC(C)=C1Cl D45796 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.22 CC1=CC(N)=C(Br)C(C)=N1 B46280 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.22 CC1=CC(N)=NC(C)=C1Br B68803 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.22 CC1=CC(O)=C(N)C(C)=N1 A43635 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.22 CC1=NC(C)=C(Cl)C(Cl)=N1 D42748 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.22 CC1=NC(Cl)=C(Br)C(C)=N1 B42731 [0,1,0,0,0,1|2,0,0]=4 711 B10R1.22 CC1=NC(Cl)=NC(C)=C1Br B42730 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.22 CC1=NC(Cl)=NC(C)=C1Cl D42747 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.22 CC1=NC(N)=C(F)C(C)=N1 F43284 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.22 CC1=NC(N)=NC(C)=C1Br A23628 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.25 CC1=C(CO)C=CC(F)=N1 F46222 [0,1,0,0,0,1|2,0,0]=4 716 B10R1.25 CC1=CC(Br)=CN=C1CN B46293 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.25 CC1=CC(C)=C(C=O)C=N1 D49261 [0,1,0,0,0,1|1,0,1]=4 718 B10R1.25 CC1=CC(C)=C(CBr)C=C1 B49966 [0,1,0,0,0,1|2,0,0]=4 719 B10R1.25 CC1=CC(C)=C(CO)C=C1 D50273 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.25 CC1=CC(N)=C(CO)C=N1 A43644 [0,1,0,0,0,1|2,0,0]=4 721 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 B45763 [0,1,0,0,0,1|2,0,0]=4 722 B10R1.25 CC1=CN=C(CCl)C(C)=C1 C38639 [0,1,0,0,0,1|1,0,0]=3 723 B10R1.25 CC1=CN=C(CO)C(C)=C1 D46914 [0,1,0,0,0,1|1,0,0]=3 724 B10R1.25 CC1=NC(=O)C(CO)=CN1 H43232 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.25 CC1=NC(C)=C(CO)C=C1 D64003 [0,1,0,0,0,1|1,0,0]=3 726 B10R1.25 CC1=NC(N)=C(CO)C=N1 A67768 [0,1,0,0,0,1|2,0,0]=4 727 B10R1.25 CC1=NC=C(CN)C(N)=N1 A61754 [0,1,0,0,0,1|2,0,0]=4 728 B10R1.25 COC1=C(Br)C=C(C)C=N1 B46168 [0,1,0,0,0,1|2,0,0]=4 729 B10R1.25 COC1=C(C)C=C(C)C=C1 D50266 [0,1,0,0,0,1|2,0,0]=4 730 B10R1.25 COC1=C(C)N=C(Br)C=C1 B46175 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.25 COC1=C(C)N=C(Cl)N=C1 C43074 [0,1,0,0,0,1|2,0,0]=4 732 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C46202 [0,1,0,0,0,1|2,0,0]=4 733 B10R1.25 COC1=CC=C(C)N=C1Br B3731 [0,1,0,0,0,1|2,0,0]=4 734 B10R1.25 COC1=CC=C(C)N=C1Cl C46200 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.25 COC1=NC=C(Br)C=C1C B46172 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.25 COC1=NC=C(F)C=C1C F46221 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.25 COC1=NC=C(N)C=C1C M43642 [0,1,0,0,0,1|2,0,0]=4 738 B10R1.25 COC1=NN=C(Cl)C=C1C C43076 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.30 CC1=CC(CO)=C(Br)C=N1 B46177 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.30 CC1=CC=C(N)C(CO)=N1 A13503 [0,1,0,0,0,1|2,0,0]=4 741 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C65989 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.30 CC1=CN=C(C)C(C#N)=N1 D45730 [0,1,0,0,0,1|1,0,1]=4 743 B10R1.30 CC1=NC(CO)=C(Br)C=C1 B63914 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.30 CC1=NC(CO)=C(O)C=C1 H46408 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.30 CC1=NNC(=O)C(CN)=C1 A14521 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.30 COC1=C(Br)C=CC(C)=N1 B46169 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.30 COC1=C(Br)C=NC(C)=C1 B46174 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.30 COC1=C(F)C=CC(C)=N1 F46220 [0,1,0,0,0,1|2,0,0]=4 750 B10R1.30 COC1=CC(Br)=CN=C1C B16799 [0,1,0,0,0,1|2,0,0]=4 751 B10R1.30 COC1=CC(Br)=NC=C1C B46167 [0,1,0,0,0,1|2,0,0]=4 752 B10R1.30 COC1=NC(C)=CC=C1N A67537 [0,1,0,0,0,1|2,0,0]=4 753 B10R1.30 COC1=NC(C)=CN=C1N M26266 [0,1,0,0,0,1|2,0,0]=4 754 B10R1.30 COC1=NC(C)=NC=C1N M43356 [0,1,0,0,0,1|2,0,0]=4 755 B10R1.118 CC1=C(C)N=C(Cl)C(Cl)=N1 D42744 [0,1,0,0,0,1|2,0,0]=4 756 B10R1.118 CC1=C(C)N=C(Cl)C(N)=N1 C43271 [0,1,0,0,0,1|2,0,0]=4 757 B10R1.118 CC1=C(C)NC(=O)C(Cl)=N1 C43077 [0,1,0,0,0,1|2,0,0]=4 758 B10R1.118 CC1=CC(Br)=C(C)N=C1N B46283 [0,1,0,0,0,1|2,0,0]=4 759 B10R1.118 CC1=CC(C)=C(Br)C=C1C B49964 [0,1,0,0,0,1|2,0,0]=4 760 B10R1.118 CC1=CC(C)=C(Br)N=C1Br D45760 [0,1,0,0,0,1|2,0,0]=4 761 B10R1.118 CC1=CC(C)=C([Mg+])C=C1C T31755 [0,1,0,0,0,1|2,0,0]=4 762 B10R1.118 CC1=NC(C)=C(Br)C=C1Br D67801 [0,1,0,0,0,1|2,0,0]=4 763 B10R1.119 CC1=C(Br)C(C)=C(Br)C=N1 D45761 [0,1,0,0,0,1|2,0,0]=4 764 B10R1.119 CC1=C(Br)C(C)=C(N)C=N1 B62373 [0,1,0,0,0,1|2,0,0]=4 765 B10R1.119 CC1=CC=C(C)C(C)=C1C T67775 [0,1,0,0,0,1|2,0,0]=4 766 B10R1.119 CC1=CN=C(N)C(C)=C1C T46967 [0,1,0,0,0,1|2,0,0]=4 767 B10R1.176 CC1=C(Br)C=NC(CO)=C1 B46178 [0,1,0,0,0,1|2,0,0]=4 768 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [0,1,0,0,0,1|2,0,0]=4 769 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [0,1,0,0,0,1|2,0,0]=4 770 B10R1.176 CC1=C(F)C=C(CO)C=N1 F46223 [0,1,0,0,0,1|2,0,0]=4 771 B10R1.176 CC1=C(F)C=CC(CCl)=N1 C19366 [0,1,0,0,0,1|2,0,0]=4 772 B10R1.176 CC1=CC(C#N)=CN=C1C D48779 [0,1,0,0,0,1|1,0,1]=4 773 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [0,1,0,0,0,1|2,0,0]=4 774 B10R1.176 CCC1=NC(C)=C(C)N=C1 E46963 [0,1,0,0,0,1|1,0,0]=3 775 B10R1.176 COC1=CC(Br)=C(C)C=N1 B37321 [0,1,0,0,0,1|2,0,0]=4 776 B10R1.176 COC1=CC(Br)=C(C)N=C1 B13456 [0,1,0,0,0,1|2,0,0]=4 777 B10R1.176 COC1=CC(C)=C(Br)C=N1 B46173 [0,1,0,0,0,1|2,0,0]=4 778 B10R1.176 COC1=CN=C(Br)C(C)=N1 B43057 [0,1,0,0,0,1|2,0,0]=4 779 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C46201 [0,1,0,0,0,1|2,0,0]=4 780 B10R1.176 COC1=NC(C)=C(Br)C=C1 B46158 [0,1,0,0,0,1|2,0,0]=4 781 B10R1.176 COC1=NC(C)=C(Br)C=N1 B43061 [0,1,0,0,0,1|2,0,0]=4 782 B10R1.176 COC1=NC(C)=C(F)C=C1 F46212 [0,1,0,0,0,1|2,0,0]=4 783 B10R1.176 COC1=NC(C)=C(N)C=C1 M46590 [0,1,0,0,0,1|2,0,0]=4 784 B10R1.176 COC1=NC(C)=C(N)C=C1 M69566 [0,1,0,0,0,1|2,0,0]=4 785 B10R1.176 COC1=NC(C)=C(N)C=N1 M39115 [0,1,0,0,0,1|2,0,0]=4 786 B10R1.176 COC1=NC(C)=C(N)N=C1 M43352 [0,1,0,0,0,1|2,0,0]=4 787 B10R1.176 COC1=NC=C(C)C(N)=C1 M43637 [0,1,0,0,0,1|2,0,0]=4 788 B10R1.176 COC1=NC=C(N)C(C)=C1 M43641 [0,1,0,0,0,1|2,0,0]=4 789 B10R1.176 CSC1=NC(C)=C(Br)C=N1 B42984 [0,1,0,0,0,1|2,0,0]=4 790 B10R1.176 CSC1=NC=C(C)C(=O)N1 M43258 [0,1,0,0,0,1|2,0,0]=4 791 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 C43008 [0,1,0,0,0,1|2,0,0]=4 792 B10R1.35 CSC1=NC(N)=C(C#N)S1 A62622 [0,2,0,0,0,0|1,0,1]=4 793 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 D46833 [0,2,0,0,0,0|1,1,0]=4 794 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 B62817 [0,2,0,0,0,0|1,0,0]=3 795 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 D46440 [0,2,0,0,0,0|0,0,0]=2 796 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 D46406 [0,2,0,0,0,0|0,1,0]=3 797 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 A43257 [0,2,0,0,0,0|1,0,0]=3 798 B10R1.59 CC(=O)C1=CC(C)=NN1C D1042 [0,2,0,0,0,0|2,0,0]=4 799 B10R1.59 CC(C)C1=C(Br)SC(N)=N1 A43324 [0,2,0,0,0,0|2,0,0]=4 800 B10R1.59 CC1=C(C(=O)O)N=C(Br)S1 B40835 [0,2,0,0,0,0|1,0,1]=4 801 B10R1.59 CC1=C(C(=O)O)N=C(N)S1 A69488 [0,2,0,0,0,0|1,0,1]=4 802 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 B40834 [0,2,0,0,0,0|1,0,1]=4 803 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 A41039 [0,2,0,0,0,0|1,0,1]=4 804 B10R1.59 CC1=NC(C(=O)O)=C(N)S1 A41040 [0,2,0,0,0,0|1,0,1]=4 805 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 D43161 [0,2,0,0,0,0|0,1,1]=4 806 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 D43157 [0,2,0,0,0,0|0,0,1]=3 807 B10R1.130 CC1=C(CCO)N=C(Br)S1 B43297 [0,2,0,0,0,0|1,0,0]=3 808 B10R1.130 CC1=CC(C)=NN1CCO D63007 [0,2,0,0,0,0|2,0,0]=4 809 B10R1.130 CNCC1=CC(C)=NN1C D43837 [0,2,0,0,0,0|2,0,0]=4 810 B10R1.256 CC1=NN(C)C(C)=C1C=O T43648 [0,2,0,0,0,0|2,0,0]=4 811 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 B45953 [0,2,0,0,0,0|2,0,0]=4 812 B8R1.4 CC1=CC=CC(S)=N1 M38177 [0,0,1,1,0,0|0,0,2]=4 813 B8R1.4 CC1=CC=NC(C)=N1 D43181 [0,0,1,1,0,0|1,0,1]=4 814 B8R1.4 CC1=CN=CC(C)=N1 D69480 [0,0,1,1,0,0|2,0,0]=4 815 B8R1.5 CC1=CC=CN=C1C L68373 [0,0,1,1,0,0|1,0,1]=4 816 B10R2.2 CN1C=C2CNCC2=N1 M60994 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.3 CC1=CC=C(C)N=N1 D43182 [1,0,0,0,0,1|1,0,0]=3 818 B8R1.3 CC1=CC=C(N)N=N1 A0340 [1,0,0,0,0,1|2,0,0]=4 819 B8R1.3 CC1=CN=C(Br)C=C1 B4672 [1,0,0,0,0,1|2,0,0]=4 820 B8R1.3 CC1=CN=C(Br)C=N1 B14614 [1,0,0,0,0,1|2,0,0]=4 821 B8R1.3 CC1=CN=C(Br)N=C1 B67690 [1,0,0,0,0,1|2,0,0]=4 822 B8R1.3 CC1=CN=C(Cl)C=C1 C21968 [1,0,0,0,0,1|2,0,0]=4 823 B8R1.3 CC1=CN=C(Cl)C=N1 C40876 [1,0,0,0,0,1|2,0,0]=4 824 B8R1.3 CC1=CN=C(Cl)N=C1 C4929 [1,0,0,0,0,1|2,0,0]=4 825 B8R1.3 CC1=CN=C(F)C=C1 F22553 [1,0,0,0,0,1|2,0,0]=4 826 B8R1.3 CC1=CN=C(N)C=C1 M20542 [1,0,0,0,0,1|2,0,0]=4 827 B8R1.3 CC1=CN=C(N)C=N1 M14592 [1,0,0,0,0,1|2,0,0]=4 828 B8R1.3 CC1=CN=C(N)N=C1 A0080 [1,0,0,0,0,1|2,0,0]=4 829 B8R1.3 CC1=CN=C(N)N=C1 M38708 [1,0,0,0,0,1|2,0,0]=4 830 B8R1.3 CC1=CN=C(O)C=C1 M63706 [1,0,0,0,0,1|2,0,0]=4 831 B8R1.3 CC1=CNC(=O)C=N1 M68091 [1,0,0,0,0,1|2,0,0]=4 832 B8R1.3 CC1=NC=C(Br)C=C1 B5402 [1,0,0,0,0,1|2,0,0]=4 833 B8R1.3 CC1=NC=C(Br)C=N1 B0659 [1,0,0,0,0,1|2,0,0]=4 834 B8R1.3 CC1=NC=C(Cl)C=C1 C42845 [1,0,0,0,0,1|2,0,0]=4 835 B8R1.3 CC1=NC=C(Cl)C=N1 C40879 [1,0,0,0,0,1|2,0,0]=4 836 B8R1.3 CC1=NC=C(F)C=C1 F1117 [1,0,0,0,0,1|2,0,0]=4 837 B8R1.3 CC1=NC=C(F)C=N1 F40883 [1,0,0,0,0,1|2,0,0]=4 838 B8R1.3 CC1=NC=C(I)C=C1 I36966 [1,0,0,0,0,1|2,0,0]=4 839 B8R1.3 CC1=NC=C(N)C=C1 A1121 [1,0,0,0,0,1|2,0,0]=4 840 B8R1.3 CC1=NC=C(N)C=N1 A10293 [1,0,0,0,0,1|2,0,0]=4 841 B8R1.3 CC1=NC=C(O)C=C1 H4553 [1,0,0,0,0,1|2,0,0]=4 842 B8R1.3 CC1=NC=C(O)C=N1 M23235 [1,0,0,0,0,1|2,0,0]=4 843 B8R1.3 CC1=NN=C(Br)C=C1 B10633 [1,0,0,0,0,1|2,0,0]=4 844 B8R1.3 CC1=NN=C(Cl)C=C1 C3219 [1,0,0,0,0,1|2,0,0]=4 845 B8R1.3 CC1=NN=C(I)C=C1 I10435 [1,0,0,0,0,1|2,0,0]=4 846 B8R1.3 CC1=NNC(=O)C=C1 M0242 [1,0,0,0,0,1|2,0,0]=4 847 B8R1.3 CC1=NNC(=O)C=C1 M25029 [1,0,0,0,0,1|2,0,0]=4 848 B8R1.3 CC1=NNC(=O)C=C1 M41309 [1,0,0,0,0,1|2,0,0]=4