0 B7R1.2 BrC1=NN=C(Br)S1 68031 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 CC1=CC=C(Br)O1 C71939 [0,0,0,0,0,0|2,1,0]=3 3 B7R1.2 CC1=CN(C)C=N1 11615 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.2 CC1=CN(C)N=N1 O10352 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.2 CC1=CN=C(N)O1 80158 [0,0,0,0,0,0|1,1,0]=2 6 B7R1.2 CC1=CN=C(N)S1 C13827 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.2 CC1=CNC(=O)N1 O11257 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.2 CC1=CNC(=O)S1 C90545 [0,0,0,0,0,0|1,0,1]=2 9 B7R1.2 CC1=COC(Br)=N1 S10976 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=COC(S)=N1 W16843 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 CC1=CSC(Br)=C1 C15930 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 CC1=CSC(C)=C1 O10605 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.2 CC1=CSC(I)=N1 W17362 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.2 CC1=NC(=O)NN1 79696 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 CC1=NC(N)=NS1 AT11903 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.2 CC1=NC=C(Br)S1 29668 [0,0,0,0,0,0|1,0,0]=1 17 B7R1.2 CC1=NC=C(N)S1 80222 [0,0,0,0,0,0|1,0,0]=1 18 B7R1.2 CC1=NN=C(C)C1 N10051 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.2 CC1=NN=C(N)C1 D88133 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.2 CC1=NN=C(N)O1 71460 [0,0,0,0,0,0|2,1,0]=3 21 B7R1.2 CC1=NN=C(S)O1 F19936 [0,0,0,0,0,0|2,1,0]=3 22 B7R1.2 CC1=NOC(N)=N1 AT13650 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.2 CC1=NOC(O)=N1 C90490 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.2 CC1=NSC(Br)=N1 80337 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.2 CN1C=C(N)N=N1 31768 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.2 CN1C=C(N)N=N1 75215 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 CN1C=C(O)C=N1 W16286 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.2 CN1C=CC(N)=C1 O10425 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.2 CN1C=N[N+](C)=C1 T70137 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [0,0,0,0,0,0|2,1,1]=4 31 B7R1.2 C[N+]1=CN(N)C=N1 32048 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.2 ClC1=CN=C(Cl)S1 P13000 [0,0,0,0,0,0|2,0,0]=2 33 B7R1.2 ClC1=CSC(Br)=N1 I11405 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.2 ClC1=NN=C(Cl)S1 AT18999 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.2 ClC1=NNC(Cl)=N1 D84286 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.2 NC1=CC(N)=NN1 F12619 [0,0,0,0,0,0|4,0,0]=4 37 B7R1.2 NC1=CN=C(Br)S1 I11438 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.2 NC1=NC(Br)=NS1 C13674 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.2 NC1=NC(Cl)=CS1 F13356 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.2 NC1=NC=C(F)S1 39196 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.2 NC1=NN=C(N)S1 F10459 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.2 NC1=NNC(Br)=N1 C74980 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.2 NC1=NNC(Cl)=C1 P14071 [0,0,0,0,0,0|4,0,0]=4 44 B7R1.2 NC1=NNC(F)=C1 38194 [0,0,0,0,0,0|4,0,0]=4 45 B7R1.2 OC1=CC=C(Br)S1 C72253 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.2 OC1=NC(Br)=CS1 C71316 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.2 OC1=NSC(Cl)=C1 O11410 [0,0,0,0,0,0|4,0,0]=4 48 B6R1.2 BrC1=NC=CO1 N12756 [1,0,0,0,0,0|1,1,0]=3 49 B6R1.2 BrC1=NNN=C1 D83972 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 BrC1=NSC=C1 27111 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 CC1=CC=CN1 23756 [1,0,0,0,0,0|1,0,1]=3 52 B6R1.2 CC1=CNC=C1 59365 [1,0,0,0,0,0|1,0,1]=3 53 B6R1.2 CC1=CNN=C1 AT22811 [1,0,0,0,0,0|2,0,0]=3 54 B6R1.2 CC1=CNN=N1 27289 [1,0,0,0,0,0|2,0,1]=4 55 B6R1.2 CC1=COC=C1 W18310 [1,0,0,0,0,0|2,0,0]=3 56 B6R1.2 CC1=NNN=C1 D94600 [1,0,0,0,0,0|2,0,0]=3 57 B6R1.2 CC1=NOC=C1 35767 [1,0,0,0,0,0|2,0,0]=3 58 B6R1.2 CN1C=NN=C1 74688 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 ClC1=CN=NS1 F18162 [1,0,0,0,0,0|2,0,0]=3 60 B6R1.2 ClC1=NC=CN1 71370 [1,0,0,0,0,0|2,0,0]=3 61 B6R1.2 ClC1=NN=CS1 F20631 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 FC1=CC=NN1 P13416 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 FC1=CN=CN1 71921 [1,0,0,0,0,0|2,0,0]=3 64 B6R1.2 FC1=CNN=C1 89373 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 IC1=NC=CO1 38371 [1,0,0,0,0,0|1,1,0]=3 66 B6R1.2 NC1=CC=NO1 AB9529 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 NC1=CC=NS1 S11666 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 NC1=CN=CS1 52083 [1,0,0,0,0,0|1,0,0]=2 69 B6R1.2 NC1=CNC=C1 D82737 [1,0,0,0,0,0|2,0,1]=4 70 B6R1.2 NC1=CNC=N1 21115 [1,0,0,0,0,0|2,0,1]=4 71 B6R1.2 NC1=CNC=N1 52247 [1,0,0,0,0,0|2,0,1]=4 72 B6R1.2 NC1=CON=C1 F14139 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 NC1=CSC=C1 D77326 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 NC1=CSN=C1 83206 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 NC1=CSN=C1 85313 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 NN1C=CN=C1 C76661 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 NN1C=CN=C1 Y10352 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.2 OC1=CNN=C1 76131 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 OC1=NC=CS1 25638 [1,0,0,0,0,0|1,0,0]=2 80 B6R1.2 OC1=NC=NN1 D82632 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 OC1=NOC=C1 W15437 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 SC1=CC=CS1 23061 [1,0,0,0,0,0|2,0,0]=3 83 B6R1.2 SC1=CSC=C1 79297 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.1 BrCC1=CN=C(Br)S1 24688 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.1 BrCC1=NC(Br)=NO1 C77501 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.1 C#CC1=CN(C)N=C1 65015 [0,1,0,0,0,0|2,0,1]=4 87 B8R1.1 C#CC1=CSC(C)=N1 32023 [0,1,0,0,0,0|2,0,1]=4 88 B8R1.1 C#CC1=NN(C)C=N1 E70330 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.1 CC1=CC(C#N)=NN1 25520 [0,1,0,0,0,0|2,0,1]=4 90 B8R1.1 CC1=CC(C=O)=CS1 P15425 [0,1,0,0,0,0|2,0,1]=4 91 B8R1.1 CC1=CC(CBr)=NO1 F30090 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.1 CC1=CC(CCl)=NO1 71171 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.1 CC1=CC=C(C=O)N1 29847 [0,1,0,0,0,0|2,0,1]=4 94 B8R1.1 CC1=CC=C(CN)S1 71266 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.1 CC1=CC=C(CO)S1 W10513 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.1 CC1=CN=C(C=O)S1 25174 [0,1,0,0,0,0|0,0,1]=2 97 B8R1.1 CC1=CN=C(CO)N1 P16461 [0,1,0,0,0,0|1,0,0]=2 98 B8R1.1 CC1=CN=C(CO)S1 C73831 [0,1,0,0,0,0|0,0,0]=1 99 B8R1.1 CC1=CNC(C#N)=N1 O11258 [0,1,0,0,0,0|1,0,2]=4 100 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,1,0,0,0,0|1,0,2]=4 101 B8R1.1 CC1=CNC(C=O)=N1 23109 [0,1,0,0,0,0|1,0,2]=4 102 B8R1.1 CC1=COC(C=O)=N1 P10997 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.1 CC1=CSC(CCl)=N1 W16105 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.1 CC1=CSC(CO)=N1 78422 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.1 CC1=NC(C#N)=CS1 24243 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.1 CC1=NC(C=O)=NO1 F13848 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.1 CC1=NC(CBr)=CS1 C76311 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.1 CC1=NC(CBr)=NO1 F13555 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.1 CC1=NC(CCl)=NO1 C71636 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.1 CC1=NC(CN)=NO1 72162 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.1 CC1=NC(CO)=CN1 22905 [0,1,0,0,0,0|1,0,1]=3 112 B8R1.1 CC1=NC=C(C#N)S1 F13465 [0,1,0,0,0,0|0,0,1]=2 113 B8R1.1 CC1=NC=C(C=O)O1 C10143 [0,1,0,0,0,0|0,1,1]=3 114 B8R1.1 CC1=NC=C(CBr)S1 F16665 [0,1,0,0,0,0|0,0,0]=1 115 B8R1.1 CC1=NC=C(CN)S1 72160 [0,1,0,0,0,0|0,0,0]=1 116 B8R1.1 CC1=NC=C(CN)S1 F14010 [0,1,0,0,0,0|0,0,0]=1 117 B8R1.1 CC1=NN=C(C=O)N1 AC2083 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.1 CC1=NN=C(C=O)S1 Y10085 [0,1,0,0,0,0|1,0,1]=3 119 B8R1.1 CC1=NN=C(CN)N1 AT12331 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.1 CC1=NN=C(CN)S1 F30252 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.1 CC1=NN=C(CO)S1 F13044 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.1 CC1=NNC(CO)=C1 71135 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.1 CC1=NNC(CO)=N1 W19133 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.1 CC1=NOC(CBr)=C1 C15689 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.1 CC1=NOC(CN)=C1 20228 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.1 CC1=NOC(CN)=N1 S10792 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.1 CCC1=CC(N)=NO1 71263 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.1 CCC1=CC(O)=NO1 AC2644 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,1,0,0,0,0|1,1,0]=3 130 B8R1.1 CCC1=CN=C(N)S1 84403 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.1 CCN1C=C(O)C=N1 AT11883 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.1 CN1C=C(CCl)C=N1 71934 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.1 CN1C=CC(CCl)=N1 33393 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.1 CN1C=NC(C#N)=C1 P10362 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.1 CN1C=NC(C#N)=N1 91783 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.1 CN1C=NC(C=O)=N1 D82935 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.1 CN1C=NC(CCl)=N1 29909 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.1 CN1C=NC(CN)=C1 38318 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.1 CN1C=NC(CN)=C1 82874 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.1 CN1C=NC(CO)=N1 26175 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.1 CNC1=CN(C)N=C1 S10801 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.1 CNC1=CN(C)N=C1 W19310 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.1 CNC1=NC(Br)=CS1 A11743 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.1 CNC1=NC(C)=NS1 72649 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.1 CNC1=NN=C(C)S1 71271 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.1 CNC1=NOC(C)=C1 AT19776 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.1 COC1=NC=C(Br)S1 78090 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.1 COC1=NN=C(N)S1 F20582 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.1 COC1=NN=C(O)S1 Y10758 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.1 COC1=NOC(N)=C1 D82563 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.1 CSC1=CN=C(N)S1 C77378 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.1 CSC1=NN=C(C)S1 D80857 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.1 CSC1=NN=C(Cl)S1 W18100 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.1 CSC1=NNC(N)=C1 75644 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.1 N#CC1=CC=C(F)S1 37626 [0,1,0,0,0,0|2,0,1]=4 156 B8R1.1 N#CC1=CC=C(I)S1 C73627 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.1 N#CC1=CC=C(N)S1 53143 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.1 N#CC1=NC=C(Br)S1 P11608 [0,1,0,0,0,0|1,0,1]=3 159 B8R1.1 NC1=NC(CO)=NN1 52868 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.1 NC1=NN=C(CO)S1 AT18876 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.1 NC1=NNC(CO)=C1 P10905 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.1 NCC1=CC=C(Br)S1 P15264 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.1 NCC1=CN=C(Br)S1 C13963 [0,1,0,0,0,0|1,0,0]=2 166 B8R1.1 NCC1=CN=C(Br)S1 S11077 [0,1,0,0,0,0|1,0,0]=2 167 B8R1.1 NCC1=CSC(Br)=C1 P11133 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.1 NCC1=NC(Br)=CS1 22984 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.1 NCC1=NC(Br)=CS1 68978 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.1 NCC1=NC=C(Br)S1 37716 [0,1,0,0,0,0|1,0,0]=2 171 B8R1.1 O=CC1=NC=C(Cl)S1 38230 [0,1,0,0,0,0|1,0,1]=3 172 B8R1.1 O=CC1=NN=C(Cl)S1 Y11504 [0,1,0,0,0,0|2,0,1]=4 173 B8R1.1 OCC1=CC(Br)=NO1 69279 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.1 OCC1=CSC(Cl)=C1 37630 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.1 OCC1=NC=C(Br)S1 37717 [0,1,0,0,0,0|1,0,0]=2 176 B8R1.1 OCC1=NC=C(Cl)S1 P11456 [0,1,0,0,0,0|1,0,0]=2 177 B8R1.1 OCC1=NNC(Br)=C1 P17372 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.18 CC1=C(Br)N=C(Br)S1 31991 [0,1,0,0,0,0|1,0,0]=2 179 B8R1.18 CC1=C(Br)N=C(N)S1 F30514 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.18 CC1=C(Br)SC(Br)=N1 F10450 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.18 CC1=C(C)NC(N)=N1 C72528 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.18 CC1=C(C)OC(N)=N1 F16841 [0,1,0,0,0,0|1,1,0]=3 183 B8R1.18 CC1=CC(Br)=C(C)S1 AT16738 [0,1,0,0,0,0|1,0,0]=2 184 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [0,1,0,0,0,0|1,0,0]=2 185 B8R1.18 CC1=CC(Cl)=NN1C D72062 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.18 CC1=CC(N)=C(C)S1 86689 [0,1,0,0,0,0|1,0,0]=2 187 B8R1.18 CC1=CN(C)N=C1Br P19396 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.18 CC1=CN(C)N=C1I C72577 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.18 CC1=CN(C)N=C1N 51246 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.18 CC1=CN(C)N=C1N 98162 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.18 CC1=NC(Br)=C(C)S1 C77077 [0,1,0,0,0,0|0,0,0]=1 192 B8R1.18 CC1=NC(C)=C(Br)S1 C15490 [0,1,0,0,0,0|1,0,0]=2 193 B8R1.18 CC1=NC(I)=CN1C F51115 [0,1,0,0,0,0|2,0,1]=4 194 B8R1.18 CC1=NN(C)C(Br)=C1 38097 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.18 CC1=NN(C)C=C1Cl 57531 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.18 CC1=NN(C)C=C1I C76091 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.18 CC1=NN(C)C=C1O F30460 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.18 CC1=NN(C)N=C1Br O11170 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.18 CN1C=C(Br)C(Br)=N1 P19526 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.18 CN1N=C(I)C(I)=N1 D79442 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.18 C[C@@H]1SC(N)=NC1=O D85819 [0,1,0,0,0,0|1,0,1]=3 202 B8R1.18 ClC1=C(Cl)SC(Br)=C1 36537 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.18 ClC1=C(I)SC(I)=C1 P18217 [0,1,0,0,0,0|3,0,0]=4 204 B8R1.50 CC1=C(Br)C(Br)=NN1 AC6424 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.50 CC1=C(Br)N(C)C=N1 72894 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.50 CC1=C(Br)N(C)N=C1 P13239 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.50 CC1=C(C)N(C)C=N1 F18314 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.50 CC1=C(Cl)C(Br)=NN1 D80975 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.50 CC1=C(I)C(I)=NN1 C76114 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.50 CC1=C(I)N(C)N=N1 F20256 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.50 CC1=C(N)N=CN1C 32547 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.50 CC1=CSC(C)=C1N AT16742 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.50 CC1=NN=C(S)N1C W17011 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.50 CC1=NNC(=O)[C@H]1Br W18036 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.50 CC1=NNC(C)=C1N 51248 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.50 CC1=NNC(Cl)=C1N P12022 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.50 CC1=NNC(O)=C1C S10439 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.50 CC1=NOC(C)=C1O AT19674 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.50 CC1=NOC(N)=C1Cl 70875 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.50 CN1C=NC(I)=C1I C15691 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.50 CN1N=CC(Br)=C1Br Y11325 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.50 CN1N=CC(Cl)=C1N C71227 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.50 CN1N=CC(N)=C1N W11478 [0,1,0,0,0,0|3,0,0]=4 224 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [0,0,1,0,0,0|3,0,0]=4 225 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [0,0,1,0,0,0|3,0,0]=4 226 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [0,0,1,0,0,0|3,0,0]=4 227 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [0,0,1,0,0,0|3,0,0]=4 228 B8R1.3 BrC1=NC=C(I)C=N1 55463 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.3 CC1=CC=C(C)N=N1 S11370 [0,0,0,0,0,1|2,0,0]=3 230 B8R1.3 CC1=CN=C(Br)C=N1 88781 [0,0,0,0,0,1|2,0,0]=3 231 B8R1.3 CC1=CN=C(F)N=C1 F11686 [0,0,0,0,0,1|2,0,0]=3 232 B8R1.3 CC1=CN=C(I)C=N1 W17940 [0,0,0,0,0,1|2,0,0]=3 233 B8R1.3 CC1=CN=C(N)C=N1 52044 [0,0,0,0,0,1|2,0,0]=3 234 B8R1.3 CC1=CN=C(N)N=C1 51196 [0,0,0,0,0,1|2,0,0]=3 235 B8R1.3 CC1=CN=C(O)C=N1 84954 [0,0,0,0,0,1|2,0,0]=3 236 B8R1.3 CC1=NC=C(F)C=N1 O11437 [0,0,0,0,0,1|2,0,0]=3 237 B8R1.3 CC1=NC=C(I)C=C1 C10582 [0,0,0,0,0,1|2,0,0]=3 238 B8R1.3 CC1=NC=C(O)C=N1 25911 [0,0,0,0,0,1|2,0,0]=3 239 B8R1.3 FC1=CN=C(Br)C=N1 Y10496 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.3 FC1=NC=C(I)C=N1 O10782 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.3 IC1=CN=C(I)C=N1 I11480 [0,0,0,0,0,1|3,0,0]=4 242 B8R1.3 NC1=CN=C(Br)N=C1 26764 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.3 NC1=CN=C(I)N=C1 P19402 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.3 NC1=CN=C(N)C=N1 C14950 [0,0,0,0,0,1|3,0,0]=4 245 B8R1.3 NC1=CN=C(N)C=N1 F20076 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.3 NC1=NC=C(O)C=C1 BL008086 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.3 NC1=NC=C(O)C=N1 24754 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.3 OC1=NC=C(F)C=N1 61070 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.4 BrC1=CC(Br)=NN=C1 26403 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.4 BrC1=NC=CC(I)=N1 81854 [0,0,0,0,0,1|3,0,0]=4 251 B8R1.4 CC1=CC(=S)NC=C1 I11274 [0,0,0,0,0,1|2,0,1]=4 252 B8R1.4 CC1=CC(=S)NC=N1 C75430 [0,0,0,0,0,1|2,0,0]=3 253 B8R1.4 CC1=CC=CC(I)=N1 S10876 [0,0,0,0,0,1|3,0,0]=4 254 B8R1.4 CC1=CN=NC(=O)C1 78530 [0,0,0,0,0,1|2,0,0]=3 255 B8R1.4 CC1=NC=CC(I)=C1 25628 [0,0,0,0,0,1|2,0,0]=3 256 B8R1.4 CC1=NC=CC(N)=N1 25050 [0,0,0,0,0,1|2,0,0]=3 257 B8R1.4 ClC1=CC(Br)=CN=N1 P15413 [0,0,0,0,0,1|3,0,0]=4 258 B8R1.4 ClC1=CC(I)=CN=C1 C76473 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.4 ClC1=CC(I)=NC=C1 O11208 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.4 ClC1=CN=CC(I)=N1 N11783 [0,0,0,0,0,1|3,0,0]=4 261 B8R1.4 ClC1=NC=CC(I)=N1 F50757 [0,0,0,0,0,1|3,0,0]=4 262 B8R1.4 FC1=CN=CC(Br)=N1 D82262 [0,0,0,0,0,1|3,0,0]=4 263 B8R1.4 IC1=CC(I)=NC=N1 N10410 [0,0,0,0,0,1|3,0,0]=4 264 B8R1.4 IC1=CN=CC(I)=C1 83196 [0,0,0,0,0,1|3,0,0]=4 265 B8R1.4 NC1=CC(Cl)=NN=C1 26681 [0,0,0,0,0,1|3,0,0]=4 266 B8R1.4 NC1=CC(I)=NC=N1 27194 [0,0,0,0,0,1|3,0,0]=4 267 B8R1.4 NC1=CC(N)=NC=C1 25421 [0,0,0,0,0,1|3,0,0]=4 268 B8R1.4 NC1=CC(O)=CN=C1 24928 [0,0,0,0,0,1|3,0,0]=4 269 B8R1.4 NC1=CC(O)=CN=C1 26279 [0,0,0,0,0,1|3,0,0]=4 270 B8R1.4 NC1=CC=NC(F)=N1 90479 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.4 NC1=CN=CC(N)=C1 26714 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.4 NC1=CN=CC(N)=N1 30602 [0,0,0,0,0,1|3,0,0]=4 273 B8R1.4 O=C1C=C(Br)NC=N1 F10443 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.4 O=C1N=CNC(=O)N1 F12722 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.4 OC1=CC(F)=NC=C1 26765 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.4 OC1=CC=NC(Cl)=N1 29860 [0,0,0,0,0,1|3,0,0]=4 277 B8R1.4 OC1=CN=CC(Br)=N1 P20532 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.4 OC1=NC(S)=NN=C1 C75942 [0,0,0,0,0,1|3,0,0]=4 279 B8R1.4 OC1=NC=CC(Cl)=N1 78049 [0,0,0,0,0,1|3,0,0]=4 280 B8R1.4 OC1=NC=CC(F)=C1 22624 [0,0,0,0,0,1|3,0,0]=4 281 B8R1.4 SC1=CC(Br)=CN=C1 AT25650 [0,0,0,0,0,1|3,0,0]=4 282 B5R1.1 C1=C[Se]C=C1 A12389 [2,0,0,0,0,0|1,1,0]=4 283 B7R0.6 CC(=O)ON=C(C)C F19954 [0,1,1,0,0,0|1,1,0]=4 284 B7R1.1 BrCC1=CC=NO1 33595 [1,1,0,0,0,0|2,0,0]=4 285 B7R1.1 BrCC1=CN=CO1 92893 [1,1,0,0,0,0|0,1,0]=3 286 B7R1.1 BrCC1=COC=N1 70925 [1,1,0,0,0,0|2,0,0]=4 287 B7R1.1 BrCC1=CON=C1 95088 [1,1,0,0,0,0|2,0,0]=4 288 B7R1.1 BrCC1=CSC=N1 73558 [1,1,0,0,0,0|2,0,0]=4 289 B7R1.1 BrCC1=NC=CO1 92941 [1,1,0,0,0,0|0,1,0]=3 290 B7R1.1 BrCC1=NC=CS1 73557 [1,1,0,0,0,0|0,0,0]=2 291 B7R1.1 BrCC1=NOC=C1 71749 [1,1,0,0,0,0|2,0,0]=4 292 B7R1.1 C=CC1=CC=CS1 C10114 [1,1,0,0,0,0|1,0,1]=4 293 B7R1.1 C=CC1=CN=CN1 D82417 [1,1,0,0,0,0|1,0,1]=4 294 B7R1.1 CCC1=CNN=C1 72604 [1,1,0,0,0,0|2,0,0]=4 295 B7R1.1 CCC1=NN=CO1 C10407 [1,1,0,0,0,0|1,1,0]=4 296 B7R1.1 CCN1C=NC=N1 29522 [1,1,0,0,0,0|2,0,0]=4 297 B7R1.1 CNC1=NC=CO1 71780 [1,1,0,0,0,0|0,1,0]=3 298 B7R1.1 CNC1=NC=CS1 26158 [1,1,0,0,0,0|0,0,0]=2 299 B7R1.1 CNC1=NNC=C1 72540 [1,1,0,0,0,0|2,0,0]=4 300 B7R1.1 CNC1=NOC=C1 72015 [1,1,0,0,0,0|2,0,0]=4 301 B7R1.1 CNC1=NOC=C1 72539 [1,1,0,0,0,0|2,0,0]=4 302 B7R1.1 COC1=CNN=C1 79311 [1,1,0,0,0,0|2,0,0]=4 303 B7R1.1 COC1=NNC=C1 D79536 [1,1,0,0,0,0|2,0,0]=4 304 B7R1.1 CSC1=CN=CN1 W17049 [1,1,0,0,0,0|1,0,0]=3 305 B7R1.1 CSC1=CNN=C1 W10958 [1,1,0,0,0,0|2,0,0]=4 306 B7R1.1 CSC1=NC=CN1 AC1458 [1,1,0,0,0,0|1,0,0]=3 307 B7R1.1 CSC1=NC=CO1 O10533 [1,1,0,0,0,0|0,1,0]=3 308 B7R1.1 ClCC1=CC=CS1 79790 [1,1,0,0,0,0|1,0,0]=3 309 B7R1.1 ClCC1=CC=NO1 33348 [1,1,0,0,0,0|2,0,0]=4 310 B7R1.1 ClCC1=CN=CO1 RB3366 [1,1,0,0,0,0|0,1,0]=3 311 B7R1.1 ClCC1=COC=N1 D97597 [1,1,0,0,0,0|2,0,0]=4 312 B7R1.1 ClCC1=NC=CS1 BL005472 [1,1,0,0,0,0|0,0,0]=2 313 B7R1.1 ClCC1=NOC=C1 F13567 [1,1,0,0,0,0|2,0,0]=4 314 B7R1.1 N#CC1=NC=CO1 57346 [1,1,0,0,0,0|0,1,1]=4 315 B7R1.1 NCC1=CC=CN1 25931 [1,1,0,0,0,0|1,0,1]=4 316 B7R1.1 NCC1=CC=NO1 33343 [1,1,0,0,0,0|2,0,0]=4 317 B7R1.1 NCC1=CC=NO1 33364 [1,1,0,0,0,0|2,0,0]=4 318 B7R1.1 NCC1=CN=CS1 24148 [1,1,0,0,0,0|0,0,0]=2 319 B7R1.1 NCC1=CNC=C1 F12967 [1,1,0,0,0,0|1,0,1]=4 320 B7R1.1 NCC1=CNC=N1 26566 [1,1,0,0,0,0|1,0,1]=4 321 B7R1.1 NCC1=CNN=C1 37585 [1,1,0,0,0,0|2,0,0]=4 322 B7R1.1 NCC1=CNN=C1 37586 [1,1,0,0,0,0|2,0,0]=4 323 B7R1.1 NCC1=COC=N1 25090 [1,1,0,0,0,0|2,0,0]=4 324 B7R1.1 NCC1=CON=C1 55763 [1,1,0,0,0,0|2,0,0]=4 325 B7R1.1 NCC1=CSC=N1 24147 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.1 NCC1=CSC=N1 Y14444 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.1 NCC1=NC=CN1 C72548 [1,1,0,0,0,0|1,0,0]=3 328 B7R1.1 NCC1=NN=CO1 S11004 [1,1,0,0,0,0|1,1,0]=4 329 B7R1.1 NCC1=NNC=C1 36190 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.1 NCC1=NNC=N1 AC1019 [1,1,0,0,0,0|2,0,0]=4 331 B7R1.1 NCC1=NOC=C1 W10075 [1,1,0,0,0,0|2,0,0]=4 332 B7R1.1 NCC1=NOC=N1 72520 [1,1,0,0,0,0|2,0,0]=4 333 B7R1.1 NNC1=NC=CS1 C74550 [1,1,0,0,0,0|1,0,0]=3 334 B7R1.1 O=CC1=CN=CO1 39069 [1,1,0,0,0,0|0,1,1]=4 335 B7R1.1 OCC1=CC=NO1 33580 [1,1,0,0,0,0|2,0,0]=4 336 B7R1.1 OCC1=CC=NS1 53001 [1,1,0,0,0,0|2,0,0]=4 337 B7R1.1 OCC1=CON=C1 73633 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.1 OCC1=CSN=C1 83209 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.1 OCC1=NNC=N1 83468 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.1 OCC1=NNC=N1 F53081 [1,1,0,0,0,0|2,0,0]=4 341 B7R1.1 OCN1C=CN=C1 F11598 [1,1,0,0,0,0|2,0,0]=4 342 B7R1.4 BrC1=C(Br)NC=N1 W18398 [1,1,0,0,0,0|2,0,0]=4 343 B7R1.4 BrC1=C(I)SC=C1 C75822 [1,1,0,0,0,0|2,0,0]=4 344 B7R1.4 CC1=C(Br)C=NO1 F19689 [1,1,0,0,0,0|2,0,0]=4 345 B7R1.4 CC1=C(C)NC=C1 F20873 [1,1,0,0,0,0|1,0,1]=4 346 B7R1.4 CC1=C(C)NC=N1 SC3541 [1,1,0,0,0,0|1,0,0]=3 347 B7R1.4 CC1=C(Cl)NC=N1 P16604 [1,1,0,0,0,0|1,0,1]=4 348 B7R1.4 CC1=C(N)C=NO1 D82481 [1,1,0,0,0,0|2,0,0]=4 349 B7R1.4 CC1=C(N)N=CN1 31730 [1,1,0,0,0,0|1,0,0]=3 350 B7R1.4 CC1=C(N)ON=C1 C74807 [1,1,0,0,0,0|2,0,0]=4 351 B7R1.4 CC1=C(N)SC=N1 P18586 [1,1,0,0,0,0|1,0,0]=3 352 B7R1.4 CC1=CNN=C1N 52526 [1,1,0,0,0,0|2,0,0]=4 353 B7R1.4 CC1=CON=C1N 72247 [1,1,0,0,0,0|2,0,0]=4 354 B7R1.4 CC1=CSC=C1N P10841 [1,1,0,0,0,0|2,0,0]=4 355 B7R1.4 CC1=NOC=C1N O11036 [1,1,0,0,0,0|2,0,0]=4 356 B7R1.4 CC1=NON=C1N F14552 [1,1,0,0,0,0|2,0,0]=4 357 B7R1.4 CC1=NSC=C1Br 20343 [1,1,0,0,0,0|2,0,0]=4 358 B7R1.4 CC1=NSC=C1N 75880 [1,1,0,0,0,0|2,0,0]=4 359 B7R1.4 CN1C=CN=C1I 23828 [1,1,0,0,0,0|2,0,0]=4 360 B7R1.4 CN1C=NC=C1N 27441 [1,1,0,0,0,0|2,0,0]=4 361 B7R1.4 CN1C=NC=C1N FD10512 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.1 BrCC1=CN=C(Br)C=N1 88780 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.1 BrCC1=NC=C(Br)C=N1 C71638 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.1 C#CC1=NC=C(C)N=C1 79090 [0,1,0,0,0,1|1,0,1]=4 366 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.1 CC1=CN=C(C#N)N=C1 79424 [0,1,0,0,0,1|1,0,1]=4 368 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [0,1,0,0,0,1|1,0,1]=4 369 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [0,1,0,0,0,1|1,0,0]=3 370 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [0,1,0,0,0,1|1,0,0]=3 371 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [0,1,0,0,0,1|1,0,0]=3 372 B9R1.1 CC1=CN=C(CCl)N=C1 27405 [0,1,0,0,0,1|1,0,0]=3 373 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [0,1,0,0,0,1|1,0,0]=3 374 B9R1.1 CC1=CN=C(CN)N=C1 38455 [0,1,0,0,0,1|1,0,0]=3 375 B9R1.1 CC1=CN=C(CN)N=C1 72570 [0,1,0,0,0,1|1,0,0]=3 376 B9R1.1 CC1=CN=C(CN)N=C1 W10072 [0,1,0,0,0,1|1,0,0]=3 377 B9R1.1 CC1=CN=C(CO)C=N1 26144 [0,1,0,0,0,1|1,0,0]=3 378 B9R1.1 CC1=CN=C(CO)N=C1 38636 [0,1,0,0,0,1|1,0,0]=3 379 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.1 CC1=NC=C(C#N)C=N1 81926 [0,1,0,0,0,1|1,0,1]=4 381 B9R1.1 CC1=NC=C(CBr)C=N1 C76568 [0,1,0,0,0,1|1,0,0]=3 382 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [0,1,0,0,0,1|1,0,0]=3 383 B9R1.1 CC1=NC=C(CCl)C=N1 P16099 [0,1,0,0,0,1|1,0,0]=3 384 B9R1.1 CC1=NC=C(CN)C=C1 72232 [0,1,0,0,0,1|1,0,0]=3 385 B9R1.1 CC1=NC=C(CN)C=N1 81411 [0,1,0,0,0,1|1,0,0]=3 386 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.1 CCC1=CN=C(N)C=N1 27455 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.1 CCC1=CN=C(O)C=C1 25325 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.1 CCC1=NC=C(N)C=N1 81903 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [0,1,0,0,0,1|1,0,0]=3 398 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [0,1,0,0,0,1|1,0,0]=3 399 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.1 CNC1=NC=C(N)C=N1 AT18272 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.1 COC1=CN=C(F)C=C1 98092 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.1 COC1=CN=C(N)N=C1 11206 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.1 COC1=NC=C(I)C=N1 W11580 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.1 COC1=NC=C(N)C=N1 35336 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.1 COC1=NC=C(N)N=C1 24331 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.1 COC1=NC=C(O)C=N1 C16680 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.1 CSC1=CN=C(Cl)N=C1 W16220 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.1 CSC1=NC=C(Cl)C=N1 63237 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.1 CSC1=NC=C(N)C=N1 31929 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.1 ClCC1=CN=C(Cl)N=C1 BL010347 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.1 ClCC1=NC=C(Cl)C=N1 P16603 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.1 NC1=NC=C(CCl)C=N1 AC2011 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.1 NCC1=CN=C(N)N=C1 82158 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.1 NCC1=NC=C(Br)C=N1 C73142 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.1 NCC1=NC=C(Br)C=N1 CS1737 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.1 NCC1=NC=C(Br)C=N1 P15263 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.1 NCC1=NC=C(Cl)C=N1 F31001 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.1 NCC1=NC=C(F)C=C1 70856 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.1 NCC1=NC=C(F)C=N1 P11643 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.1 NCC1=NC=C(O)C=C1 24338 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.1 OC1=CN=C(CF)N=C1 72904 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.1 OCC1=CN=C(Cl)N=C1 BL010346 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.1 OCC1=NC=C(Cl)C=N1 P10956 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.1 OCC1=NC=C(F)C=N1 P11889 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.69 CC1=C(Br)C=C(F)C=N1 22786 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.69 CC1=C(Br)C=C(F)N=C1 C14400 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.69 CC1=C(Br)C=C(N)N=C1 72100 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.69 CC1=C(C)N=C(Br)C=N1 Y10500 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.69 CC1=C(C)N=C(Cl)C=N1 Y10049 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.69 CC1=C(C)N=C(Cl)N=C1 P17845 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.69 CC1=C(C)N=C(N)C=C1 C75720 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.69 CC1=C(C)N=C(O)C=N1 C75680 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.69 CC1=C(Cl)C=C(N)N=C1 C71138 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.69 CC1=C(Cl)C=C(O)C=N1 94607 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.69 CC1=C(F)C=C(N)C=N1 D70662 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.69 CC1=C(I)C=C(N)N=C1 72489 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.69 CC1=C(N)NC(=O)N=C1 26036 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.69 CC1=CC(Br)=C(Br)C=N1 A51123 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.69 CC1=CC(Br)=C(C)C=N1 N13082 [0,1,0,0,0,1|1,0,0]=3 453 B9R1.69 CC1=CC(Br)=C(C)N=C1 P10110 [0,1,0,0,0,1|1,0,0]=3 454 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 P17115 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 P17937 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.69 CC1=CC(Br)=C(F)C=N1 C71771 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.69 CC1=CC(Br)=C(O)C=N1 53715 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.69 CC1=CC(C)=C(Br)C=N1 W18180 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.69 CC1=CC(Cl)=C(Br)C=N1 39191 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.69 CC1=CC(Cl)=C(C)C=N1 O11204 [0,1,0,0,0,1|1,0,0]=3 461 B9R1.69 CC1=CC(Cl)=C(F)C=N1 P20444 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.69 CC1=CC(Cl)=C(F)N=C1 O10975 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.69 CC1=CC(Cl)=C(N)C=N1 F52035 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.69 CC1=CC(I)=C(N)N=C1 I10161 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.69 CC1=CC(N)=C(Br)C=N1 24320 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.69 CC1=CC(N)=C(Cl)C=N1 AC2062 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.69 CC1=CC(N)=C(F)C=N1 31394 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.69 CC1=CC(N)=C(I)C=N1 C76714 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.69 CC1=CC(O)=C(Br)C=N1 C72039 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.69 CC1=CC(O)=CN=C1C W19117 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.69 CC1=CC=C(N)C(I)=N1 C71773 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.69 CC1=CC=C(N)N=C1N N13200 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.69 CC1=CC=C(O)C(Cl)=N1 35292 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.69 CC1=CN=C(Br)C=C1Br F11640 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.69 CC1=CN=C(Br)C=C1Cl F11669 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.69 CC1=CN=C(Br)C=C1F D70629 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.69 CC1=CN=C(Br)C=C1N 79079 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.69 CC1=CN=C(C)C(I)=N1 W18438 [0,1,0,0,0,1|1,0,0]=3 479 B9R1.69 CC1=CN=C(C)C(N)=C1 P11581 [0,1,0,0,0,1|1,0,0]=3 480 B9R1.69 CC1=CN=C(C)C(N)=N1 26305 [0,1,0,0,0,1|1,0,0]=3 481 B9R1.69 CC1=CN=C(C)C=C1N W13730 [0,1,0,0,0,1|1,0,0]=3 482 B9R1.69 CC1=CN=C(C)N=C1Cl C16332 [0,1,0,0,0,1|1,0,0]=3 483 B9R1.69 CC1=CN=C(C)N=C1N 32026 [0,1,0,0,0,1|1,0,0]=3 484 B9R1.69 CC1=CN=C(Cl)C(Br)=N1 D79794 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 O10568 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.69 CC1=CN=C(Cl)C(N)=N1 N13219 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C77105 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.69 CC1=CN=C(F)C(O)=C1 79064 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.69 CC1=CN=C(F)C=C1N D83156 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.69 CC1=CN=C(I)C(C)=C1 72078 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.69 CC1=CN=C(I)C(C)=N1 D71968 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.69 CC1=CN=C(N)C(=O)N1 C75150 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.69 CC1=CN=C(N)C(C)=C1 S10186 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.69 CC1=CN=C(N)C=C1C F18079 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.69 CC1=CN=C(N)N=C1Br O11187 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.69 CC1=CN=C(N)N=C1O F19190 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.69 CC1=NC(C)=C(Br)C=N1 S10258 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.69 CC1=NC(C)=C(Cl)C=N1 AT11427 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.69 CC1=NC(C)=C(O)C=N1 72557 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.69 CC1=NC(Cl)=C(Br)C=N1 P11032 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.69 CC1=NC(N)=C(Br)C=N1 C74246 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.69 CC1=NC(N)=C(Cl)C=N1 C75179 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.69 CC1=NC(N)=C(F)C=N1 C72634 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.69 CC1=NC(N)=C(I)C=C1 65855 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.69 CC1=NC(N)=C(O)C=C1 25163 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.69 CC1=NC(O)=C(Br)C=N1 25539 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.69 CC1=NC(O)=C(Cl)C=N1 I11731 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.69 CC1=NC(O)=C(F)C=N1 25762 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.69 CC1=NC=C(Br)C=C1O 24970 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.69 CC1=NC=C(Cl)N=C1Cl 84118 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.69 CC1=NC=C(F)C=C1N D96784 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.69 CC1=NC=C(N)N=C1Br Y10498 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [0,1,0,0,0,1|1,0,1]=4 514 B9R1.2 CC1=CC(C#N)=CN=C1 71242 [0,1,0,0,0,1|1,0,1]=4 515 B9R1.2 CC1=CC(C#N)=NN=C1 P12502 [0,1,0,0,0,1|1,0,1]=4 516 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,1,0,0,0,1|1,0,0]=3 517 B9R1.2 CC1=CC(CCl)=NC=N1 F30459 [0,1,0,0,0,1|1,0,0]=3 518 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,1,0,0,0,1|1,0,0]=3 519 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,1,0,0,0,1|1,0,0]=3 520 B9R1.2 CC1=CC(CO)=NC=N1 38642 [0,1,0,0,0,1|1,0,0]=3 521 B9R1.2 CC1=CC(CO)=NN=C1 F30430 [0,1,0,0,0,1|1,0,0]=3 522 B9R1.2 CC1=CC(NN)=NC=C1 BL010278 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.2 CC1=CC=NC(C#N)=N1 20318 [0,1,0,0,0,1|1,0,1]=4 525 B9R1.2 CC1=CC=NC(CN)=N1 72797 [0,1,0,0,0,1|1,0,0]=3 526 B9R1.2 CC1=CC=NC(CO)=N1 38635 [0,1,0,0,0,1|1,0,0]=3 527 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [0,1,0,0,0,1|1,0,1]=4 528 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [0,1,0,0,0,1|1,0,1]=4 529 B9R1.2 CC1=CN=CC(CN)=C1 72799 [0,1,0,0,0,1|1,0,0]=3 530 B9R1.2 CC1=NC=CC(CBr)=C1 D80184 [0,1,0,0,0,1|1,0,0]=3 531 B9R1.2 CC1=NC=CC(CN)=C1 72809 [0,1,0,0,0,1|1,0,0]=3 532 B9R1.2 CC1=NC=CC(CO)=N1 90609 [0,1,0,0,0,1|1,0,0]=3 533 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [0,1,0,0,0,1|1,0,0]=3 539 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.2 CNC1=CC(Br)=NC=C1 CS1908 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.2 CNC1=CC=NC(Br)=N1 D80192 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.2 CNC1=NC(C)=CN=C1 74811 [0,1,0,0,0,1|1,0,0]=3 544 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.2 CNC1=NC=CC(Cl)=N1 24763 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.2 CNC1=NC=CC(N)=C1 27435 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.2 COC1=CC(Br)=NC=N1 C76202 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.2 COC1=CC(Cl)=CN=N1 E70128 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.2 COC1=CC(F)=NC=N1 D83389 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.2 COC1=NC(C)=CC=N1 C72586 [0,1,0,0,0,1|1,0,0]=3 551 B9R1.2 COC1=NC(C)=NC=C1 73836 [0,1,0,0,0,1|1,0,0]=3 552 B9R1.2 COC1=NC(N)=CN=C1 24364 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.2 COC1=NC(O)=CC=N1 Y10376 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.2 COC1=NC=CC(Br)=N1 25350 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.2 COC1=NC=NC(C)=C1 H10028 [0,1,0,0,0,1|1,0,0]=3 556 B9R1.2 COC1=NC=NC(Cl)=N1 C71416 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.2 CSC1=CC(Br)=NC=N1 C71732 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.2 CSC1=NC(N)=CN=C1 W17367 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.2 ClC1=NC=CC(CBr)=C1 A10561 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.2 ClCC1=CC=NC(Cl)=N1 P10955 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.2 ClCC1=NC=CC(Cl)=N1 F19722 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.2 NC1=CC(CO)=CN=C1 20770 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.2 NC1=CC=NC(CCl)=N1 Y10182 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.2 NC1=NC=CC(CBr)=C1 W11110 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.2 NCC1=CC(Cl)=NC=C1 71552 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.2 NCC1=CC(F)=NC=C1 73765 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.2 OCC1=CC(Cl)=NC=N1 59934 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.2 OCC1=CC=NC(Cl)=N1 F53087 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.3 CC1=C(C)C(Br)=NC=C1 N10835 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.3 CC1=C(C)C(Cl)=NC=N1 H10268 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.3 CC1=C(C)C(N)=NC=C1 Y10702 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.3 CC1=C(C)C(N)=NC=N1 C75559 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.3 CC1=C(Cl)C(Br)=NC=C1 C76922 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.3 CC1=C(I)C(=O)N=CN1 H10358 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.3 CC1=C(N)C(Cl)=NC=N1 C77000 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.3 CC1=C(O)C(Br)=NC=C1 C71875 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.3 CC1=C(O)C(Cl)=NC=C1 36409 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.3 CC1=CC=NC(C)=C1Br C10200 [0,1,0,0,0,1|1,0,0]=3 593 B9R1.3 CC1=CC=NC(N)=C1F 22700 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.3 CC1=CN=CC(C)=C1Br 52045 [0,1,0,0,0,1|1,0,0]=3 595 B9R1.3 CC1=CN=CC(C)=C1Cl AB6822 [0,1,0,0,0,1|1,0,0]=3 596 B9R1.3 CC1=CN=CC(C)=C1I 52056 [0,1,0,0,0,1|1,0,0]=3 597 B9R1.3 CC1=CN=CC(Cl)=C1N 27804 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.3 CC1=CN=CC(F)=C1N 93260 [0,1,0,0,0,1|2,0,0]=4 599 B9R1.3 CC1=CN=CC(I)=C1N F12221 [0,1,0,0,0,1|2,0,0]=4 600 B9R1.3 CC1=CN=CC(N)=C1N 26396 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.3 CC1=NC=CC(Br)=C1Cl AC1900 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.3 CC1=NC=CC(Br)=C1F O11181 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.3 CC1=NC=CC(Br)=C1F S12180 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.3 CC1=NC=CC(Br)=C1N F15057 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.3 CC1=NC=CC(Cl)=C1F C71651 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.3 CC1=NC=CC(N)=C1N 26933 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.3 CC1=NC=CC(O)=C1C 89362 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.3 CC1=NC=NC(C)=C1N 26497 [0,1,0,0,0,1|1,0,0]=3 609 B9R1.3 CC1=NC=NC(C)=C1O F21170 [0,1,0,0,0,1|1,0,0]=3 610 B9R1.3 CC1=NC=NC(Cl)=C1I 35506 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.3 CC1=NC=NC(N)=C1Cl C72213 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.3 CC1=NC=NC(O)=C1Br 85510 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.34 CC1=CC(Br)=CC(Br)=N1 C76528 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 I10130 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.34 CC1=CC(Br)=CC(N)=N1 I11227 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.34 CC1=CC(Br)=CC(O)=N1 25599 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.34 CC1=CC(Br)=NC(C)=N1 D78127 [0,1,0,0,0,1|1,0,0]=3 618 B9R1.34 CC1=CC(C)=CC(C)=C1 78199 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.34 CC1=CC(C)=NC(Br)=N1 C73243 [0,1,0,0,0,1|1,0,0]=3 620 B9R1.34 CC1=CC(Cl)=CC(N)=N1 26589 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.34 CC1=CC(Cl)=NC(N)=C1 25901 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.34 CC1=CC(Cl)=NC(O)=C1 D83290 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.34 CC1=CC(N)=CC(F)=N1 91514 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.34 CC1=NC(C)=NC(C)=N1 A12862 [0,1,0,0,0,1|1,0,0]=3 625 B9R1.34 CC1=NC(Cl)=CC(=O)N1 91471 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.34 CC1=NC(Cl)=NC(Cl)=N1 21061 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.34 CC1=NC(Cl)=NC(N)=N1 W11895 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.34 CC1=NC(Cl)=NC(O)=C1 AC7967 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.34 CC1=NC(N)=CC(I)=N1 25934 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.34 CC1=NC(N)=CC(N)=N1 32831 [0,1,0,0,0,1|2,0,0]=4 631 B9R1.34 CC1=NC(O)=NC(N)=N1 25789 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,2,0,0,0,0|1,0,0]=3 633 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,2,0,0,0,0|1,1,0]=4 634 B9R1.7 CC1=NC(CC#N)=NN1 F13322 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.7 CC1=NC(CCN)=NO1 72552 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.7 CN1C=C(CCN)C=N1 AC1366 [0,2,0,0,0,0|2,0,0]=4 637 B9R1.7 CN1C=NC(CCN)=C1 P10213 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.7 COCC1=NN=C(N)S1 25112 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.7 N#CCC1=CC=C(Br)S1 C10185 [0,2,0,0,0,0|2,0,0]=4 640 B9R1.21 CCC1=NC=C(C=O)N1 AT15333 [0,2,0,0,0,0|1,0,1]=4 641 B9R1.21 CCC1=NC=C(C=O)S1 O10772 [0,2,0,0,0,0|0,0,1]=3 642 B9R1.21 CCC1=NOC(CO)=C1 D78962 [0,2,0,0,0,0|2,0,0]=4 643 B9R1.21 CCN1C=C(CO)C=N1 71382 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.21 CSC1=CC=C(CO)O1 D93647 [0,2,0,0,0,0|1,1,0]=4 645 B9R1.21 CSC1=NN=C(SC)S1 A11083 [0,2,0,0,0,0|1,0,0]=3 646 B9R1.21 N#CC1=CC=C(CBr)S1 26290 [0,2,0,0,0,0|1,0,1]=4 647 B9R1.21 N#CC1=CC=C(CN)S1 AB1094 [0,2,0,0,0,0|1,0,1]=4 648 B9R1.21 OCC1=CC(CO)=NN1 F11497 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.22 CC1=C(C#N)N=C(Cl)S1 O10741 [0,2,0,0,0,0|1,0,0]=3 650 B9R1.22 CC1=C(C=O)N=C(Br)O1 D97290 [0,2,0,0,0,0|1,1,0]=4 651 B9R1.22 CC1=C(C=O)N=C(N)S1 C75286 [0,2,0,0,0,0|1,0,0]=3 652 B9R1.22 CC1=C(C=O)SC(Br)=N1 C77197 [0,2,0,0,0,0|1,0,1]=4 653 B9R1.22 CC1=CC(N)=C(C#N)S1 50003 [0,2,0,0,0,0|1,0,1]=4 654 B9R1.22 CC1=NC(Br)=C(CBr)S1 C73419 [0,2,0,0,0,0|0,0,0]=2 655 B9R1.22 CC1=NC(C#N)=C(N)S1 98038 [0,2,0,0,0,0|1,0,0]=3 656 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [0,2,0,0,0,0|0,0,0]=2 657 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [0,2,0,0,0,0|0,0,0]=2 658 B9R1.22 CC1=NC(CO)=C(Br)S1 W18069 [0,2,0,0,0,0|1,0,0]=3 659 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [0,2,0,0,0,0|0,1,0]=3 660 B9R1.22 CC1=NN(C)C(CCl)=C1 W10400 [0,2,0,0,0,0|2,0,0]=4 661 B9R1.22 CC1=NN(C)C(CN)=C1 P10233 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.22 COC1=C(Br)C=C(Br)S1 95246 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.22 N#CC1=C(Br)SC(N)=N1 80796 [0,2,0,0,0,0|2,0,0]=4 664 B9R1.22 N#CC1=C(Cl)N=C(Cl)S1 24595 [0,2,0,0,0,0|1,0,1]=4 665 B9R1.22 N#CC1=C(Cl)SC(Cl)=N1 C14523 [0,2,0,0,0,0|2,0,0]=4 666 B9R1.22 OCC1=C(Br)N=C(Br)S1 35934 [0,2,0,0,0,0|1,0,0]=3 667 B9R1.23 CC1=C(C)SC(CO)=N1 S11102 [0,2,0,0,0,0|0,0,0]=2 668 B9R1.23 CC1=CC(CCl)=NN1C 38503 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.23 CCC1=NC(C)=C(Br)S1 C76798 [0,2,0,0,0,0|1,0,0]=3 670 B9R1.23 CCN1C=C(C)C(N)=N1 P18700 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.23 OCC1=NC(Cl)=C(Cl)N1 32128 [0,2,0,0,0,0|2,0,0]=4 672 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [0,2,0,0,0,0|1,0,0]=3 673 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,2,0,0,0,0|1,0,1]=4 674 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [0,2,0,0,0,0|1,0,0]=3 677 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,2,0,0,0,0|0,0,0]=2 678 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [0,2,0,0,0,0|1,0,0]=3 679 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,2,0,0,0,0|2,0,0]=4 681 B9R1.35 CC(C)C1=CN=C(Br)S1 27295 [0,2,0,0,0,0|1,0,0]=3 682 B9R1.35 CC(C)C1=CN=C(N)S1 84416 [0,2,0,0,0,0|1,0,0]=3 683 B9R1.35 CC(C)C1=NN=C(Br)S1 22935 [0,2,0,0,0,0|2,0,0]=4 684 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,2,0,0,0,0|0,1,1]=4 685 B9R1.35 CC1=CNC(C(C)C)=N1 F31131 [0,2,0,0,0,0|1,0,1]=4 686 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,2,0,0,0,0|0,1,1]=4 687 B9R1.35 CC1=NN=C(C(=O)O)S1 I11693 [0,2,0,0,0,0|1,0,1]=4 688 B9R1.35 CC1=NN=C(C(=O)[O-])S1 I10757 [0,2,0,0,0,0|1,0,1]=4 689 B9R1.35 CC1=NN=C(C(C)C)N1 A12905 [0,2,0,0,0,0|2,0,0]=4 690 B9R1.35 CC1=NOC([C@H](C)N)=N1 70858 [0,2,0,0,0,0|2,0,0]=4 691 B9R1.35 CC1=NOC([C@H](C)N)=N1 70930 [0,2,0,0,0,0|2,0,0]=4 692 B9R1.35 C[C@H](N)C1=CN(C)N=C1 79129 [0,2,0,0,0,0|2,0,0]=4 693 B9R1.35 C[C@H](N)C1=CN(C)N=C1 P10329 [0,2,0,0,0,0|2,0,0]=4 694 B9R1.35 FC(F)C1=CC=C(Br)S1 W16588 [0,2,0,0,0,0|2,0,0]=4 695 B9R1.35 FC(F)C1=NC=C(Br)S1 P13794 [0,2,0,0,0,0|1,0,0]=3 696 B9R1.35 NC(=O)C1=CN=C(Br)S1 S10763 [0,2,0,0,0,0|1,0,1]=4 697 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,2,0,0,0,0|1,0,1]=4 698 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,2,0,0,0,0|1,0,1]=4 699 B9R1.35 O=[N+]([O-])C1=NC=C(Br)S1 C73532 [0,2,0,0,0,0|2,0,0]=4 700 B9R1.35 OB(O)C1=CN=C(Cl)S1 D83610 [0,2,0,0,0,0|2,0,0]=4 701 B9R1.132 CC1=C(CO)N=CN1C 70857 [0,2,0,0,0,0|2,0,0]=4 702 B9R1.132 CC1=NC=C(C=O)N1C C15385 [0,2,0,0,0,0|1,0,1]=4 703 B9R1.132 CN1C(CO)=CN=C1N 77751 [0,2,0,0,0,0|2,0,0]=4 704 B9R1.132 CN1C(Cl)=CN=C1CO C74718 [0,2,0,0,0,0|2,0,0]=4 705 B9R1.132 CN1N=CC(CO)=C1Br 97715 [0,2,0,0,0,0|2,0,0]=4 706 B9R1.132 CN1N=CC(CO)=C1Cl W16169 [0,2,0,0,0,0|2,0,0]=4 707 B9R1.37 CC1=C(Br)C(Br)=C(C)S1 W10472 [0,2,0,0,0,0|1,0,0]=3 708 B9R1.37 CC1=C(C)C(I)=C(C)S1 32779 [0,2,0,0,0,0|1,0,0]=3 709 B9R1.37 CC1=NN(C)C(C)=C1O F50510 [0,2,0,0,0,0|2,0,0]=4 710 B9R1.27 CC1=C(C=O)N(C)C=N1 C15686 [0,2,0,0,0,0|2,0,0]=4 711 B9R1.27 CC1=C(CO)N(C)N=C1 F30434 [0,2,0,0,0,0|2,0,0]=4 712 B9R1.27 CC1=NNC(C)=C1C#N P10706 [0,2,0,0,0,0|2,0,0]=4 713 B9R1.27 CC1=NNC(C)=C1C=O W17400 [0,2,0,0,0,0|2,0,0]=4