0 B7R0.4 C=CCCCC(=O)O 200742 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.4 C=CCNCC(=O)O 040171 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 CCCC#CC(=O)O 145700 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.4 CCCCCC(=O)O 066626 [0,0,0,0,0,0|0,0,4]=4 4 B7R0.4 CCCSCC(=O)O 311047 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.4 CCC\C=C\C(=O)O 002797 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.4 C\C=C\C=C\C(=O)O 104773 [0,0,0,0,0,0|0,0,0]=0 7 B6R0.4 C(CC)=CC(=O)O 001396 [1,0,0,0,0,0|0,0,1]=2 8 B6R0.4 C=CCCC(=O)O 002777 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.4 C=CCCC(C)=O 358446 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 C=CCNC(C)=O 103870 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 C=CCOC(=O)Cl 099832 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 C=CCOC(C)=O 099570 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CCC#CC(=O)O 164200 [1,0,0,0,0,0|0,0,3]=4 14 B6R0.4 CCCCC(=O)O 066625 [1,0,0,0,0,0|0,0,3]=4 15 B6R0.4 CCOCC(=O)O 461062 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 CCSCC(=O)O 001760 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 COCCC(=O)O 091199 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 CO\C=C\C(C)=O 099154 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CSCCC(=O)O 013666 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 O=CCCC(=O)O 103323 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.6 CCC\C=C\C=O 098868 [1,0,0,0,0,0|0,0,2]=3 22 B6R0.6 CC\C=C/CCO 240925 [1,0,0,0,0,0|0,0,3]=4 23 B6R0.6 C\C=C\C=C\C=O 242913 [1,0,0,0,0,0|0,0,0]=1 24 B6R0.6 C\C=C\CCCO 433438 [1,0,0,0,0,0|0,0,3]=4 25 B8R0.7 CCCC\C=C\C(C)=O 104079 [0,1,0,0,0,0|1,0,2]=4 26 B8R0.9 COC(=O)CCC(=O)O 001779 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.9 COC(=O)\C=C\C(=O)O 094823 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.9 COC(=O)\C=C\C(=O)O 102026 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.28 CC(=O)CCC=C(C)C 242741 [0,1,0,0,0,0|1,0,2]=4 30 B8R0.28 CC(=O)CCCC(=O)O 208771 [0,1,0,0,0,0|0,0,3]=4 31 B8R0.28 CC(=O)NCCC(=O)O 208784 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.28 CC(=O)OCC=C(C)C 241095 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.28 CC(=O)SCCC(=O)O 104707 [0,1,0,0,0,0|1,0,2]=4 34 B8R0.28 CN(C)C\C=C\C(=O)O 062980 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.28 CN(C)C\C=C\C(=O)O 078562 [0,1,0,0,0,0|1,0,1]=3 36 B8R1.1 CC1=CC=C(C=O)O1 216646 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.1 CC1=CC=C(C=O)S1 045074 [0,0,0,1,0,0|2,1,0]=4 38 B8R1.1 CC1=CC=C(CN)O1 225706 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.1 CC1=CC=C(CO)O1 013649 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.1 O=CC1=CC=C(Br)O1 010657 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.1 O=CC1=CC=C(Br)S1 065250 [0,0,0,1,0,0|2,1,0]=4 42 B8R1.1 O=CC1=CC=C(Cl)S1 013487 [0,0,0,1,0,0|2,1,0]=4 43 B8R1.4 BrC1=CC(I)=CC=C1 001125 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.4 BrC1=CC=CC(Br)=C1 001159 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.4 BrC1=CC=CC(Br)=N1 024557 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.4 CC1=CC(=O)NC=C1 358401 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.4 CC1=CC(Br)=CC=C1 001434 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.4 CC1=CC(Br)=CN=C1 036864 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.4 CC1=CC(Br)=NC=C1 009754 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.4 CC1=CC(C)=NC=C1 242811 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.4 CC1=CC(Cl)=CC=C1 243038 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.4 CC1=CC(Cl)=NC=C1 010404 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.4 CC1=CC(F)=CC=C1 001442 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.4 CC1=CC(F)=NC=C1 006287 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.4 CC1=CC(I)=CC=C1 001200 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.4 CC1=CC(N)=NC=C1 013751 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.4 CC1=CC=CC(C)=C1 103820 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.4 CC1=CC=CC(C)=N1 092726 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.4 CC1=CC=CC(C)=N1 104293 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.4 CC1=CC=CC(Cl)=N1 010405 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.4 CC1=CC=CC(F)=N1 006288 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.4 CC1=CC=CC(N)=C1 033242 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.4 CC1=CC=CC(N)=N1 020196 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.4 CC1=CC=CC(O)=C1 094674 [0,0,0,1,0,0|1,0,0]=2 65 B8R1.4 CC1=CC=NC(Cl)=N1 044515 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.4 CC1=CC=NC(N)=N1 003634 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.4 CC1=CN=CC(C)=C1 094626 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.4 CC1=CN=CC(C)=N1 002730 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.4 CC1=CN=CC(Cl)=N1 067405 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.4 CC1=CN=CC(N)=C1 033255 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.4 CC1=C[N+]([O-])=CC=C1 233635 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.4 CC1=NC(Br)=CC=C1 020192 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.4 CC1=NC(Cl)=CC=N1 061014 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.4 CC1=NC(S)=NC=C1 068730 [0,0,0,1,0,0|2,1,0]=4 75 B8R1.4 CC1=NC=CC(Br)=C1 036985 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.4 CC1=NC=CC(Cl)=C1 003362 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.4 CC1=NC=CC(N)=C1 024684 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.4 CC1=NC=CC(O)=C1 076527 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.4 C[N+]1=CC(Br)=CC=C1 182518 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.4 C[N+]1=CC(Cl)=CC=C1 181184 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.4 C[N+]1=CC(I)=CC=C1 182790 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.4 ClC1=CC(Br)=CC=C1 001104 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.4 ClC1=CC(I)=CC=C1 001150 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.4 ClC1=CC=CC(Br)=N1 035849 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.4 ClC1=CC=CC(Cl)=C1 241021 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.4 ClC1=CC=CC(Cl)=N1 209011 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.4 FC1=CC(I)=CC=C1 001183 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.4 FC1=CC=CC(Br)=C1 001224 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.4 FC1=CC=CC(Br)=N1 033114 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.4 FC1=CC=CC(Cl)=C1 001146 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.4 FC1=CC=CC(F)=C1 001232 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.4 FC1=CC=CC(F)=N1 001607 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.4 FC1=CC=CC(S)=C1 001299 [0,0,0,1,0,0|2,1,0]=4 94 B8R1.4 FC1=NC(Cl)=CC=C1 033248 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.4 IC1=CC=CC(I)=C1 001752 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.4 NC1=CC(Br)=CC=C1 003072 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.4 NC1=CC(Cl)=CC=C1 038261 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.4 NC1=CC(F)=CC=C1 001438 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.4 NC1=CC=CC(Cl)=N1 012728 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.4 NC1=CC=CC(I)=C1 227695 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.4 NC1=CC=CC(N)=C1 216678 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.4 NC1=CC=CC(N)=N1 077786 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.4 NC1=CC=CC(O)=C1 099283 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.4 NC1=CC=NC(=O)N1 036359 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.4 NC1=NC(Br)=CC=C1 033158 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.4 NC1=NC(F)=CC=C1 024171 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.4 NC1=NC=CC(O)=C1 048149 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.4 NC1=NC=CC(O)=C1 223673 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.4 NC1=NC=CC(O)=N1 043460 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.4 O=C1C=C(Br)C=CN1 338416 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.4 O=C1C=CNC(=O)N1 176400 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.4 O=C1C=CNC(=S)N1 078506 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.4 OC1=CC(Br)=CC=C1 003059 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.4 OC1=CC(Cl)=CC=C1 121000 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.4 OC1=CC(Cl)=CC=N1 011626 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.4 OC1=CC(F)=CC=C1 002173 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.4 OC1=CC(I)=CC=C1 001308 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.4 OC1=CC=CC(O)=C1 168800 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.4 OC1=CC=NC(Cl)=C1 045190 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.4 OC1=CN=CC(Br)=C1 033254 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.4 OC1=CN=CC(F)=C1 079345 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.4 OC1=NC(Cl)=CC=C1 037405 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.4 OC1=NC(F)=CC=C1 038546 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.4 SC1=CC(Br)=CC=C1 001578 [0,0,0,1,0,0|2,1,0]=4 125 B8R1.4 SC1=CC(Cl)=CC=C1 001581 [0,0,0,1,0,0|2,1,0]=4 126 B8R1.4 [NH3+]C1=CC(Cl)=CC=C1 180293 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.4 [O-][N+]1=CC=CC(O)=C1 243131 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.7 CC(=O)C1=CC=CN1 002744 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.7 CC(=O)C1=CC=CO1 088461 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.7 CC(=O)C1=CC=CS1 005042 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.7 CC(=O)C1=CSC=C1 013392 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.7 CC(=O)C1=NC=CS1 002759 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.7 NC(=O)C1=CC=CO1 317695 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.7 NC(=O)C1=CC=CS1 336641 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.7 NC(=O)C1=NNC=C1 043016 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.7 NC(=S)C1=CC=CN1 097983 [0,0,0,1,0,0|2,1,0]=4 137 B8R1.7 NC(=S)C1=CC=CO1 068584 [0,0,0,1,0,0|2,1,0]=4 138 B8R1.7 NC(=S)C1=CC=CS1 021348 [0,0,0,1,0,0|2,1,0]=4 139 B8R1.7 O=C(Cl)C1=CC=CO1 024674 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.7 O=C(Cl)C1=CC=CS1 099110 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.7 O=C(O)C1=CC=CN1 066141 [0,0,0,1,0,0|1,0,0]=2 142 B8R1.7 O=C(O)C1=CC=CO1 093393 [0,0,0,1,0,0|1,0,0]=2 143 B8R1.7 O=C(O)C1=CC=CS1 003042 [0,0,0,1,0,0|1,0,0]=2 144 B8R1.7 O=C(O)C1=CC=NO1 017345 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.7 O=C(O)C1=CN=CS1 016173 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.7 O=C(O)C1=CN=NN1 043831 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.7 O=C(O)C1=CNC=C1 075258 [0,0,0,1,0,0|1,0,1]=3 148 B8R1.7 O=C(O)C1=CNC=C1 104381 [0,0,0,1,0,0|1,0,1]=3 149 B8R1.7 O=C(O)C1=CNC=N1 011782 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.7 O=C(O)C1=CNN=C1 028020 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.7 O=C(O)C1=COC=C1 024288 [0,0,0,1,0,0|1,0,1]=3 152 B8R1.7 O=C(O)C1=COCC1 040021 [0,0,0,1,0,0|1,0,1]=3 153 B8R1.7 O=C(O)C1=CSC=C1 003460 [0,0,0,1,0,0|1,0,1]=3 154 B8R1.7 O=C(O)C1=CSC=N1 023485 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.7 O=C(O)C1=CSN=N1 020173 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.7 O=C(O)C1=NC=CN1 043636 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.7 O=C(O)C1=NC=CO1 047101 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.7 O=C(O)C1=NC=CS1 046193 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.7 O=C(O)C1=NNC=C1 014533 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.7 O=C(O)C1=NNC=N1 015636 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.7 O=C(O)C1CC=CC1 011660 [0,0,0,1,0,0|0,0,2]=3 162 B8R1.7 O=[N+]([O-])C1=CC=CS1 001317 [0,0,0,1,0,0|2,0,1]=4 163 B8R1.7 OB(O)C1=CC=CO1 010999 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.22 O=C1C=CCCCC1 208633 [0,0,0,1,0,0|1,0,2]=4 165 B5R0.1 C=COC(C)=O 098012 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.1 CC#CC(=O)O 009075 [2,0,0,0,0,0|0,0,2]=4 167 B5R0.1 CCCC(=O)O 102473 [2,0,0,0,0,0|0,0,2]=4 168 B5R0.1 CNCC(=O)O 095119 [2,0,0,0,0,0|1,0,1]=4 169 B5R0.1 COCC(=O)O 237785 [2,0,0,0,0,0|1,0,1]=4 170 B5R0.1 CSCC(=O)O 010416 [2,0,0,0,0,0|1,0,1]=4 171 B5R0.1 C\C=C\C(=O)Cl 358246 [2,0,0,0,0,0|1,0,0]=3 172 B5R0.1 C\C=C\C(=O)O 092792 [2,0,0,0,0,0|0,0,0]=2 173 B5R0.2 C=CCNC=O 065354 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.2 CC\C=C/CO 386381 [2,0,0,0,0,0|0,0,2]=4 175 B5R0.2 CC\C=C\C=O 466581 [2,0,0,0,0,0|0,0,1]=3 176 B5R0.2 C\C=C\C=C\C 046824 [2,0,0,0,0,0|0,0,1]=3 177 B7R0.2 COC(=O)CC(=O)O 227679 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.3 C=CCCC(=O)OC 540759 [1,1,0,0,0,0|0,0,2]=4 179 B7R0.3 C=CCOC(=O)OC 067150 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.3 CC\C=C\C(=O)OC 011184 [1,1,0,0,0,0|0,0,1]=3 181 B7R0.3 COC(=O)\C=C\CBr 049963 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.3 CO\C=C\C(=O)OC 208663 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.3 C\C=C\CC(=O)OC 099391 [1,1,0,0,0,0|0,0,1]=3 184 B7R0.5 C=CCC(C)C(=O)O 239804 [1,1,0,0,0,0|0,0,2]=4 185 B7R0.5 C=CC[C@@H](N)C(=O)O 218874 [1,1,0,0,0,0|0,0,2]=4 186 B7R0.5 C=CC[C@H](N)C(=O)O 062238 [1,1,0,0,0,0|0,0,2]=4 187 B7R0.5 CC\C=C(/C)C(=O)O 002778 [1,1,0,0,0,0|0,0,1]=3 188 B7R0.5 CC\C=C(/C)C(=O)O 102663 [1,1,0,0,0,0|0,0,1]=3 189 B7R0.6 CC(=O)CCC(=O)O 079484 [1,1,0,0,0,0|0,0,2]=4 190 B7R0.6 CC(=O)NCC(=O)O 097974 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.6 CC(=O)OCC(=O)O 228175 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.6 CC(=O)\C=C\N(C)C 106573 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.6 CC(C)=CC=C(C)C 078040 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.6 CC(C)\C=C\C(=O)O 011183 [1,1,0,0,0,0|0,0,1]=3 195 B7R0.6 O=C(Cl)\C=C\C(=O)Cl 099388 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.6 O=C(O)\C=C/C(=O)O 152300 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.6 O=C(O)\C=C\C(=O)O 094517 [1,1,0,0,0,0|1,0,0]=3 198 B7R0.1 CCCC\C=C\C=O 240980 [1,1,0,0,0,0|0,0,2]=4 199 B7R0.1 CC\C=C\C=C\C=O 242611 [1,1,0,0,0,0|0,0,0]=2 200 B9R0.53 CC(C)=CC(=O)C=C(C)C 075754 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.1 COC(=O)\C=C\CC(C)C 011191 [0,2,0,0,0,0|0,0,2]=4 202 B9R0.1 C\C=C(C)\C=C\C=C(C)C 104616 [0,2,0,0,0,0|2,0,0]=4 203 B9R0.5 CCO\C=C\C(=O)OCC 049964 [0,2,0,0,0,0|1,0,1]=4 204 B9R0.5 CCO\C=C\C(=O)OCC 094821 [0,2,0,0,0,0|1,0,1]=4 205 B9R0.24 COC(=O)\C=C/C(=O)OC 094584 [0,2,0,0,0,0|1,0,0]=3 206 B9R0.24 COC(=O)\C=C\C(=O)OC 001173 [0,2,0,0,0,0|1,0,0]=3 207 B9R0.48 CCOC(=O)\C=C\C(=O)O 222100 [0,2,0,0,0,0|0,0,1]=3 208 B7R1.2 CC1=CC=C(Br)S1 024230 [1,0,0,1,0,0|1,1,0]=4 209 B7R1.2 CC1=CC=C(C)N1 236653 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.2 CC1=CC=C(C)S1 002791 [1,0,0,1,0,0|1,1,0]=4 211 B7R1.2 CC1=CC=C(I)S1 002582 [1,0,0,1,0,0|1,1,0]=4 212 B7R1.2 CC1=CCC(=O)O1 098871 [1,0,0,1,0,0|0,0,1]=3 213 B7R1.2 CC1=CCC(=O)O1 107050 [1,0,0,1,0,0|0,0,1]=3 214 B7R1.2 O=C1C=CC(=O)N1 011793 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.2 O=C1C=CC(=O)O1 101524 [1,0,0,1,0,0|1,0,0]=3 216 B7R1.2 O=C1C=CC(=O)O1 241019 [1,0,0,1,0,0|1,0,0]=3 217 B7R1.3 BrC1=CC=CC=C1 BR1026 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.3 BrC1=NC=CC=C1 036222 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.3 CC1=CC=CC=C1 035922 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.3 CC1=CC=CC=C1 046885 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.3 CC1=CC=CC=C1 099899 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.3 CC1=CC=CC=C1 102149 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.3 CC1=NC=CC=C1 235658 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.3 ClC1=CC=CC=C1 044613 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.3 ClC1=CC=CC=C1 101617 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.3 ClC1=NC=CC=C1 044502 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.3 FC1=CC=CC=C1 001699 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 FC1=NC=CC=C1 001297 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 IC1=CC=CC=C1 003461 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.3 IC1=NC=CC=C1 067334 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.3 NC1=CC=CC=C1 044723 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.3 NC1=CC=CC=C1 098809 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.3 NC1=CC=CC=C1 228177 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.3 NC1=NC=CC=C1 050259 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.3 O=C1C=CC=CN1 338426 [1,0,0,1,0,0|1,0,0]=3 236 B7R1.3 O=C1C=CCCC1 040004 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.3 OC1=CC=CC=C1 098645 [1,0,0,1,0,0|1,0,0]=3 238 B7R1.3 OC1=CC=CC=C1 101882 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.3 OC1=CC=CC=C1 102467 [1,0,0,1,0,0|1,0,0]=3 240 B7R1.3 OC1=CC=CN=C1 045225 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.3 OC1=CC=NC=C1 045193 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.3 OC1=NC=CC=C1 003423 [1,0,0,1,0,0|1,0,0]=3 243 B7R1.3 OC1=NC=CC=N1 147200 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.3 OC1=NC=CN=C1 076215 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.3 OC1=NC=NC=C1 068731 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.3 PC1=CC=CC=C1 106038 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.3 SC1=CC=CC=C1 094667 [1,0,0,1,0,0|1,1,0]=4 248 B7R1.3 SC1=NC=CC=C1 023265 [1,0,0,1,0,0|1,1,0]=4 249 B7R1.3 [O-]C1=CC=CC=C1 180036 [1,0,0,1,0,0|1,0,1]=4 250 B7R1.3 [S-]C1=CC=CC=C1 303893 [1,0,0,1,0,0|1,1,0]=4 251 B7R1.3 [SiH3]C1=CC=CC=C1 S13600 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.1 C(=O)C1=CC=CS1 003419 [1,0,0,1,0,0|1,0,0]=3 253 B7R1.1 CCC1=CC=CN1 002567 [1,0,0,1,0,0|1,0,1]=4 254 B7R1.1 CCC1=CC=CS1 001177 [1,0,0,1,0,0|0,1,1]=4 255 B7R1.1 NCC1=CC=CO1 358202 [1,0,0,1,0,0|1,0,1]=4 256 B7R1.1 O=CC1=CC=CN1 043867 [1,0,0,1,0,0|1,0,0]=3 257 B7R1.1 O=CC1=CC=CO1 053252 [1,0,0,1,0,0|1,0,0]=3 258 B7R1.1 O=CC1=CC=CO1 104085 [1,0,0,1,0,0|1,0,0]=3 259 B7R1.1 O=CC1=CC=NN1 046433 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.1 O=CC1=CN=CS1 016172 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.1 O=CC1=CNC=N1 065293 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.1 O=CC1=CSC=C1 045073 [1,0,0,1,0,0|1,0,1]=4 263 B7R1.1 O=CC1=CSC=N1 016171 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.1 O=CC1=NC=CN1 011781 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.1 O=CC1=NC=CS1 046294 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.1 OCC1=CC=CO1 143000 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.1 OCC1=CC=CS1 208652 [1,0,0,1,0,0|1,0,1]=4 268 B7R1.1 SCC1=CC=CO1 002796 [1,0,0,1,0,0|1,0,1]=4 269 B7R1.4 CC1=C(Br)SC=C1 013451 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.4 CC1=C(Cl)SC=C1 024249 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.4 CC1=CNN=C1O 312908 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.4 CC1=CSC=C1Br 024231 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.24 C1=CC=CCC=C1 242090 [1,0,0,1,0,0|1,0,0]=3 274 B7R1.24 C1=CC=C[CH+]C=C1 009408 [1,0,0,1,0,0|1,0,1]=4 275 B9R1.13 CC(=O)NC1=CC=CS1 093044 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.13 O=C(Cl)CC1=CC=CS1 003050 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.13 O=C(O)CC1=CC=CS1 044684 [0,1,0,1,0,0|1,0,0]=3 278 B9R1.13 O=C(O)CC1=CSC=C1 079138 [0,1,0,1,0,0|0,0,2]=4 279 B9R1.13 O=C(O)CN1C=CC=C1 310772 [0,1,0,1,0,0|0,0,2]=4 280 B9R1.34 CC1=CC(=O)C=C(C)O1 069041 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.34 CC1=CC(=O)OC(C)=C1 045789 [0,1,0,1,0,0|0,0,0]=2 282 B9R1.34 CC1=CC(=S)OC(C)=C1 180125 [0,1,0,1,0,0|0,1,0]=3 283 B9R1.34 CC1=CC(Br)=CC(Br)=C1 037721 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.34 CC1=CC(Br)=CC(C)=N1 077942 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.34 CC1=CC(Br)=CC(F)=C1 021361 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.34 CC1=CC(C)=CC(Br)=C1 008025 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.34 CC1=CC(C)=CC(C)=C1 095021 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.34 CC1=CC(C)=CC(Cl)=C1 018463 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.34 CC1=CC(C)=CC(F)=C1 002576 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.34 CC1=CC(C)=CC(I)=C1 002953 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.34 CC1=CC(C)=CC(I)=C1 106112 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.34 CC1=CC(C)=CC(N)=C1 095075 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.34 CC1=CC(C)=CC(O)=C1 214771 [0,1,0,1,0,0|1,0,0]=3 294 B9R1.34 CC1=CC(C)=CC(S)=C1 001348 [0,1,0,1,0,0|1,1,0]=4 295 B9R1.34 CC1=CC(C)=NC(C)=C1 005102 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.34 CC1=CC(C)=NC(C)=C1 102991 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.34 CC1=CC(C)=[O+]C(C)=C1 005450 [0,1,0,1,0,0|1,0,1]=4 298 B9R1.34 CC1=CC(Cl)=CC(Br)=C1 032723 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 047109 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.34 CC1=CC(Cl)=CC(N)=C1 079788 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.34 CC1=CC(Cl)=CC(N)=N1 079721 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.34 CC1=CC(Cl)=NC(C)=C1 037141 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.34 CC1=CC(F)=CC(Cl)=C1 044238 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.34 CC1=CC(F)=CC(N)=C1 044821 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.34 CC1=CC(I)=CC(F)=C1 069625 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.34 CC1=CC(N)=CC(Br)=C1 038770 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.34 CC1=CC(N)=CC(O)=C1 092274 [0,1,0,1,0,0|1,0,0]=3 308 B9R1.34 CC1=CC(N)=NC(C)=C1 046704 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.34 CC1=CC(O)=CC(=O)O1 003638 [0,1,0,1,0,0|0,0,0]=2 310 B9R1.34 CC1=CC(O)=CC(C)=N1 011702 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.34 CC1=CC(O)=CC(O)=C1 005921 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.34 CC1=CC(O)=CC(O)=N1 068449 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.34 CC1=CC(O)=NC(C)=N1 222325 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.34 CC1=CC(O)=NC(O)=N1 077360 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.34 CC1=NC(O)=CC(O)=N1 036424 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.34 OC1=CC(Br)=CC(Br)=C1 091923 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.34 OC1=CC(Cl)=CC(Br)=C1 077970 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.34 OC1=CC(Cl)=CC(Cl)=C1 013051 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.34 OC1=CC(Cl)=CC(F)=C1 013283 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.34 OC1=CC(F)=CC(Br)=C1 036239 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.34 OC1=CC(F)=CC(F)=C1 001659 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.34 OC1=CC(O)=CC(O)=C1 045197 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.34 OC1=CC(O)=CC(O)=C1 095065 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.41 CC(=O)C1=CC=CN1C 002488 [0,1,0,1,0,0|1,0,0]=3 325 B9R1.41 CC(=O)C1=CC=NN1C 031545 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.41 CC1=C(B(O)O)SC=C1 092398 [0,1,0,1,0,0|1,0,1]=4 327 B9R1.41 CC1=C(C(=O)O)C=CS1 066125 [0,1,0,1,0,0|0,0,0]=2 328 B9R1.41 CC1=C(C(=O)O)C=NO1 066197 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.41 CC1=C(C(=O)O)OC=N1 035897 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.41 CC1=C(C(=O)O)SC=C1 045075 [0,1,0,1,0,0|0,0,0]=2 331 B9R1.41 CC1=C(C(=O)O)SN=N1 012185 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.41 CC1=CSC=C1C(=O)O 224039 [0,1,0,1,0,0|0,0,0]=2 333 B9R1.41 CN1C=CC=C1C(=O)O 093156 [0,1,0,1,0,0|0,0,0]=2 334 B9R1.41 CN1C=CN=C1C(=O)O 093196 [0,1,0,1,0,0|1,0,0]=3 335 B9R1.41 CN1C=CN=C1C(=O)[O-] 018814 [0,1,0,1,0,0|1,0,1]=4 336 B9R1.41 CN1C=NC=C1C(=O)O 066237 [0,1,0,1,0,0|1,0,0]=3 337 B9R1.41 CN1N=CC=C1C(=O)O 014534 [0,1,0,1,0,0|1,0,0]=3 338 B9R1.41 NC(=O)C1=C(Cl)C=CS1 017088 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.41 NC(=O)C1=C(N)C=CS1 013116 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.41 NC(=O)C1=C(N)SC=C1 021279 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 017408 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.41 O=C(O)C1=C(Br)C=CS1 019423 [0,1,0,1,0,0|1,0,0]=3 343 B9R1.41 O=C(O)C1=C(Br)SC=C1 092319 [0,1,0,1,0,0|1,0,0]=3 344 B9R1.41 O=C(O)C1=C(Cl)C=CS1 017407 [0,1,0,1,0,0|1,0,0]=3 345 B9R1.41 O=C(O)C1=C(Cl)SC=C1 077280 [0,1,0,1,0,0|1,0,0]=3 346 B9R1.41 O=C(O)C1=C(I)C=CS1 021666 [0,1,0,1,0,0|1,0,0]=3 347 B9R1.41 O=C(O)C1=NNC=C1Cl 014524 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.1 C=CC1=CC=C(O)C=C1 240601 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.1 CCC1=CC=C(O)C=C1 241020 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.1 CNC1=CC=C(O)C=C1 102940 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.1 COC1=CC=C(O)C=C1 078679 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.1 COC1=NC=C(O)C=C1 076684 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.1 CSC1=CC=C(O)C=C1 003883 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.1 O=CC1=CC=C(O)C=C1 BR1235 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.2 BrCC1=CC(Br)=CC=C1 001367 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.2 BrCC1=CC(I)=CC=C1 018739 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.2 C#CC1=CC(C)=CC=C1 040032 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.2 C#CC1=CC=CC(O)=C1 239150 [0,1,0,1,0,0|1,0,1]=4 359 B9R1.2 C(=O)C1=CC(Br)=CC=C1 003060 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.2 C(=O)C1=CC(C)=CC=C1 001390 [0,1,0,1,0,0|1,0,0]=3 361 B9R1.2 CC1=CC(C=O)=NC=C1 033041 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.2 CC1=CC(NN)=CC=C1 033721 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.2 CC1=CC=CC(C#N)=C1 035881 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.2 CC1=CC=CC(C#N)=N1 077340 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.2 CC1=CC=CC(C=O)=N1 021900 [0,1,0,1,0,0|1,0,0]=3 366 B9R1.2 CC1=CC=CC(CBr)=C1 067812 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.2 CC1=CC=CC(CN)=C1 008878 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.2 CC1=CC=CC(CO)=C1 102453 [0,1,0,1,0,0|1,0,0]=3 369 B9R1.2 CC1=CC=CC(CO)=N1 092614 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.2 CC1=NC(NN)=CC=C1 038575 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.2 CCC1=CC(I)=CC=C1 037712 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.2 CCC1=CC=CC(Br)=C1 024168 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.2 CCC1=CC=CC(N)=C1 043276 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.2 CCC1=CC=CC(N)=N1 095025 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.2 CNC1=CC(Cl)=CC=C1 009649 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.2 CNC1=CC(F)=CC=C1 019287 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.2 CNC1=CC=CC(Br)=C1 045857 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.2 COC1=CC(Br)=CC=C1 003058 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.2 COC1=CC(F)=CC=C1 002695 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.2 COC1=CC(I)=CC=C1 001303 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.2 COC1=CC(O)=CC=C1 235567 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.2 COC1=CC=CC(C)=C1 342147 [0,1,0,1,0,0|1,0,0]=3 383 B9R1.2 COC1=CC=CC(Cl)=C1 118300 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.2 COC1=CC=CC(N)=C1 043402 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.2 COC1=CC=CC(N)=N1 043829 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.2 COC1=CC=CC(S)=C1 001309 [0,1,0,1,0,0|1,1,0]=4 387 B9R1.2 COC1=NC(Br)=CC=C1 045063 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.2 COC1=NC(C)=CC=C1 040046 [0,1,0,1,0,0|1,0,0]=3 389 B9R1.2 COC1=NC(Cl)=CC=C1 045005 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.2 CSC1=CC(Br)=CC=C1 003661 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.2 CSC1=CC(C)=CC=C1 019356 [0,1,0,1,0,0|1,1,0]=4 392 B9R1.2 CSC1=CC(Cl)=CC=C1 003553 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.2 CSC1=CC(F)=CC=C1 019273 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.2 CSC1=CC(I)=CC=C1 094459 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.2 CSC1=CC([Mg+])=CC=C1 397737 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.2 CSC1=CC=CC(N)=C1 018141 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.2 CSC1=NC=CC(O)=N1 076764 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.2 ClC1=CC=CC(CBr)=C1 024563 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.2 FC1=CC=CC(CBr)=C1 002171 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.2 FC1=CC=CC(CCl)=C1 001632 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.2 FC1=CC=CC(CS)=C1 024342 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.2 N#CC1=CC(O)=CC=C1 049834 [0,1,0,1,0,0|1,0,1]=4 403 B9R1.2 NC1=CC=CC(CO)=C1 008828 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.2 NCC1=CC(Br)=CC=C1 075951 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.2 NCC1=CC(Cl)=CC=C1 008869 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.2 NCC1=CC(F)=CC=C1 006198 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.2 NCC1=CC=CC(Br)=C1 242605 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.2 NCC1=CC=CC(I)=C1 079620 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.2 NCC1=CC=CC(O)=C1 023455 [0,1,0,1,0,0|1,0,0]=3 410 B9R1.2 NCC1=NC(Br)=CC=C1 215138 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.2 O=CC1=CC(Cl)=CC=C1 032762 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.2 O=CC1=CC(F)=CC=C1 001668 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.2 O=CC1=CC(O)=CC=C1 044196 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.2 O=CC1=CC=CC(I)=C1 079137 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.2 O=CC1=NC(Br)=CC=C1 011583 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.2 OCC1=CC(Br)=CC=C1 001365 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.2 OCC1=CC(Cl)=CC=C1 001376 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.2 OCC1=CC(F)=CC=C1 002170 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.2 OCC1=NC(Cl)=CC=C1 067703 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.2 SCC1=CC(Br)=CC=C1 024349 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.3 CC1=C(Br)C(Cl)=CC=C1 018258 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.3 CC1=C(C)C(F)=CC=C1 002577 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.3 CC1=C(C)C(I)=CC=C1 001050 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.3 CC1=C(C)C(O)=CC=C1 358211 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.3 CC1=C(Cl)C(Br)=CC=C1 024558 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.3 CC1=C(Cl)C(F)=CC=C1 036297 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.3 CC1=C(Cl)C(I)=CC=C1 219773 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.3 CC1=C(Cl)C(N)=CC=C1 076000 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.3 CC1=C(Cl)C=CC=C1O 018406 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.3 CC1=C(F)C(Br)=CC=C1 032928 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.3 CC1=C(F)C(F)=CC=C1 005238 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.3 CC1=C(F)C(I)=CC=C1 211591 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.3 CC1=C(F)C(O)=CC=C1 036232 [0,1,0,1,0,0|1,0,0]=3 434 B9R1.3 CC1=C(I)C(F)=CC=C1 092268 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.3 CC1=C(N)C(Br)=CC=C1 013450 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.3 CC1=C(N)C(N)=CC=C1 064679 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.3 CC1=C(O)C(=O)C=CO1 068773 [0,1,0,1,0,0|1,0,0]=3 438 B9R1.3 CC1=C(O)C(Cl)=CC=C1 018405 [0,1,0,1,0,0|1,0,0]=3 439 B9R1.3 CC1=C(O)C=CC=C1O 208710 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.3 CC1=CC=CC(Br)=C1C 018326 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.3 CC1=CC=CC(C)=C1Br 018325 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.3 CC1=CC=CC(C)=C1Cl 018459 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.3 CC1=CC=CC(C)=C1F 003242 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.3 CC1=CC=CC(C)=C1I 002976 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.3 CC1=CC=CC(C)=C1N 033243 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.3 CC1=CC=CC(C)=C1O 078941 [0,1,0,1,0,0|1,0,0]=3 447 B9R1.3 CC1=CC=CC(C)=C1S 001346 [0,1,0,1,0,0|1,1,0]=4 448 B9R1.3 CC1=CC=CC(C)=[N+]1[O-] 225470 [0,1,0,1,0,0|1,0,1]=4 449 B9R1.3 CC1=CC=CC(Cl)=C1I 018383 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.3 CC1=CC=CC(Cl)=C1N 005545 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.3 CC1=CC=CC(F)=C1N 012747 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.3 CC1=CC=CC(I)=C1Br 038627 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.3 CC1=CC=CC(N)=C1Br 038626 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.3 CC1=CC=CC(N)=C1C 098346 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.3 CC1=CC=CC(N)=C1F 033667 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.3 CC1=CC=CC(N)=C1I 038629 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.3 CC1=CC=CC(N)=C1O 076522 [0,1,0,1,0,0|1,0,0]=3 458 B9R1.3 NC1=C(I)C=CC=C1O 040830 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.3 NC1=C(N)C(O)=CC=C1 208713 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.3 NC1=C(O)C=CC=C1O 091453 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.3 NC1=CC=CC(Br)=C1O 210031 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.3 OC1=C(Br)C=CC=C1Br 077432 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.3 OC1=C(Cl)C(Cl)=CC=C1 008840 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.3 OC1=C(Cl)C=CC=C1Cl 008837 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.3 OC1=C(Cl)C=CC=C1F 005664 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.3 OC1=C(F)C(Br)=CC=C1 046496 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.3 OC1=C(F)C(Cl)=CC=C1 005665 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.3 OC1=C(F)C(F)=CC=C1 001865 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.3 OC1=C(F)C=CC=C1F 001418 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.3 OC1=C(O)C(F)=CC=C1 006210 [0,1,0,1,0,0|1,0,1]=4 471 B9R1.3 OC1=CC=CC(Br)=C1O 079386 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.3 OC1=CC=CC(F)=C1Br 036234 [0,1,0,1,0,0|2,0,0]=4 473 B9R1.3 OC1=CC=CC(O)=C1Br 047531 [0,1,0,1,0,0|2,0,0]=4 474 B9R1.3 OC1=CC=CC(O)=C1Cl 078307 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.3 OC1=CC=CC(O)=C1O 079472 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.11 CCC(=O)C1=CC=CN1 180052 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.11 CCC(=O)C1=CC=CS1 001219 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.11 CNC(=O)C1=CC=CS1 102501 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.11 COC(=O)C1=CC=CN1 012688 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.11 COC(=O)C1=CC=CO1 001778 [0,1,0,1,0,0|1,0,0]=3 481 B9R1.11 COC(=O)C1=CC=CS1 011194 [0,1,0,1,0,0|1,0,0]=3 482 B9R1.11 COC(=O)C1=CC=NS1 040125 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.11 COC(=O)C1=CNC=C1 078209 [0,1,0,1,0,0|1,0,1]=4 484 B9R1.11 COC(=O)C1=CNC=N1 047539 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.11 COC(=O)C1=COC=C1 218965 [0,1,0,1,0,0|1,0,1]=4 486 B9R1.11 COC(=O)C1=CSC=C1 219260 [0,1,0,1,0,0|1,0,1]=4 487 B9R1.11 COC(=O)C1CC=CC1 078959 [0,1,0,1,0,0|0,0,2]=4 488 B9R1.11 NNC(=O)C1=CC=CO1 009944 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.11 NNC(=O)C1=CC=CS1 009911 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.11 N\C(=N\O)C1=CC=CS1 017441 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.11 O=C(CBr)C1=CC=CS1 064663 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.11 O=C(O[Cu])C1=CC=CS1 043827 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.21 O=CC1=CC=C(CO)O1 065253 [0,1,0,1,0,0|1,0,1]=4 494 B9R1.6 CC(=O)C1=CC=CC=C1 043319 [0,1,0,1,0,0|1,0,1]=4 495 B9R1.6 CC(=O)C1=CC=CN=C1 032763 [0,1,0,1,0,0|1,0,1]=4 496 B9R1.6 CC(=O)C1=CC=NC=C1 033067 [0,1,0,1,0,0|1,0,1]=4 497 B9R1.6 CC(=O)C1=NC=CC=C1 044389 [0,1,0,1,0,0|1,0,1]=4 498 B9R1.6 CC(=O)C1=NC=CN=C1 002741 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.6 NC(=O)C1=CC=CC=C1 099462 [0,1,0,1,0,0|1,0,1]=4 500 B9R1.6 NC(=O)C1=CC=NC=C1 079012 [0,1,0,1,0,0|1,0,1]=4 501 B9R1.6 NC(=O)C1=CN=CC=C1 239905 [0,1,0,1,0,0|1,0,1]=4 502 B9R1.6 NC(=O)C1=NC=CC=C1 235663 [0,1,0,1,0,0|1,0,1]=4 503 B9R1.6 NC(=O)C1=NC=CN=C1 068696 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.6 O=C(Cl)C1=CC=CC=C1 097787 [0,1,0,1,0,0|1,0,1]=4 505 B9R1.6 O=C(Cl)C1=CC=CC=C1 102565 [0,1,0,1,0,0|1,0,1]=4 506 B9R1.6 O=C(Cl)C1=CC=CN=C1 053251 [0,1,0,1,0,0|1,0,1]=4 507 B9R1.6 O=C(Cl)C1=CC=NC=C1 066672 [0,1,0,1,0,0|1,0,1]=4 508 B9R1.6 O=C(Cl)C1=NC=CC=C1 166500 [0,1,0,1,0,0|1,0,1]=4 509 B9R1.6 O=C(O)C1=CC=CC=C1 102544 [0,1,0,1,0,0|0,0,1]=3 510 B9R1.6 O=C(O)C1=CC=CC=C1 237766 [0,1,0,1,0,0|0,0,1]=3 511 B9R1.6 O=C(O)C1=CC=CN=C1 106451 [0,1,0,1,0,0|0,0,1]=3 512 B9R1.6 O=C(O)C1=CC=NC=C1 045226 [0,1,0,1,0,0|0,0,1]=3 513 B9R1.6 O=C(O)C1=CC=NN=C1 023601 [0,1,0,1,0,0|1,0,1]=4 514 B9R1.6 O=C(O)C1=CCNCC1 041827 [0,1,0,1,0,0|0,0,2]=4 515 B9R1.6 O=C(O)C1=CN=CC=C1 214893 [0,1,0,1,0,0|0,0,1]=3 516 B9R1.6 O=C(O)C1=CN=CN=C1 023569 [0,1,0,1,0,0|1,0,1]=4 517 B9R1.6 O=C(O)C1=NC=CC=C1 043385 [0,1,0,1,0,0|0,0,1]=3 518 B9R1.6 O=C(O)C1=NC=CC=N1 043596 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.6 O=C(O)C1=NC=CN=C1 066244 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.6 O=C(O)C1=NC=NC=C1 066253 [0,1,0,1,0,0|1,0,0]=3 521 B9R1.6 O=C(O)C1=NN=CC=C1 047653 [0,1,0,1,0,0|1,0,0]=3 522 B9R1.6 O=C(O)C1CC=CCC1 011329 [0,1,0,1,0,0|0,0,2]=4 523 B9R1.6 O=C([O-])C1=CC=CC=C1 094455 [0,1,0,1,0,0|0,0,2]=4 524 B9R1.6 O=C([O-])C1=CC=CC=C1 095369 [0,1,0,1,0,0|0,0,2]=4 525 B9R1.6 O=C([O-])C1=CC=CC=C1 099144 [0,1,0,1,0,0|0,0,2]=4 526 B9R1.6 O=C([O-])C1=CC=CC=C1 239403 [0,1,0,1,0,0|0,0,2]=4 527 B9R1.6 O=C([O-])C1=CN=CC=C1 245943 [0,1,0,1,0,0|0,0,2]=4 528 B9R1.6 O=[PH](O)C1=CC=CC=C1 003643 [0,1,0,1,0,0|1,0,1]=4 529 B9R1.6 O=[Se](O)C1=CC=CC=C1 005551 [0,1,0,1,0,0|1,0,1]=4 530 B9R1.35 CC(=O)C1=CC=C(Br)S1 001260 [0,1,0,1,0,0|1,1,0]=4 531 B9R1.35 CC(=O)C1=CC=C(C)S1 001262 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.35 CC(=O)C1=CC=C(Cl)S1 001261 [0,1,0,1,0,0|1,1,0]=4 533 B9R1.35 CC(=O)C1=CC=C(I)S1 033173 [0,1,0,1,0,0|1,1,0]=4 534 B9R1.35 CC(=O)C1=CN(C)C=C1 103065 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.35 CC1=CC(C(=O)O)=NN1 014537 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.35 CC1=CC(C(=O)O)=NO1 017252 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.35 CC1=CC=C(C(=O)O)O1 014513 [0,1,0,1,0,0|0,0,0]=2 538 B9R1.35 CC1=CC=C(C(=O)O)S1 045076 [0,1,0,1,0,0|0,0,0]=2 539 B9R1.35 CC1=CN=C(C(=O)O)S1 044786 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.35 CC1=CSC(C(=O)O)=C1 023894 [0,1,0,1,0,0|1,0,0]=3 541 B9R1.35 CC1=CSC(C(N)=O)=C1 023896 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.35 CC1=NC=C(C(=O)O)O1 227751 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.35 CC1=NC=C(C(=O)O)S1 044774 [0,1,0,1,0,0|1,0,0]=3 544 B9R1.35 CC1=NOC(C(=O)O)=C1 027734 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.35 CN1C=C(C(=O)O)C=N1 028252 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.35 CN1C=CC(C(=O)O)=N1 014532 [0,1,0,1,0,0|1,0,0]=3 547 B9R1.35 CN1C=NC(C(=O)O)=C1 012732 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.35 NC(=O)C1=CC(Br)=CS1 070165 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.35 NC(=O)C1=CC=C(Br)S1 038547 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.35 NC1=NC=C(C(=O)O)S1 076210 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.35 O=C(Cl)C1=CC=C(Br)S1 368671 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.35 O=C(O)C1=CC(Br)=CS1 028027 [0,1,0,1,0,0|1,0,0]=3 553 B9R1.35 O=C(O)C1=CC=C(Br)O1 020339 [0,1,0,1,0,0|1,0,0]=3 554 B9R1.35 O=C(O)C1=CC=C(Br)S1 114300 [0,1,0,1,0,0|1,0,0]=3 555 B9R1.35 O=C(O)C1=CC=C(Cl)S1 014515 [0,1,0,1,0,0|1,0,0]=3 556 B9R1.35 O=C(O)C1=CN=C(Br)S1 016153 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.69 CC1=C(Br)C=CC(Br)=C1 024524 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.69 CC1=C(Br)C=CC(Br)=N1 012710 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 110800 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 033110 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.69 CC1=C(Br)C=CC(F)=C1 001613 [0,1,0,1,0,0|2,0,0]=4 562 B9R1.69 CC1=C(Br)C=CC(I)=C1 018282 [0,1,0,1,0,0|2,0,0]=4 563 B9R1.69 CC1=C(Br)C=CC(N)=C1 001128 [0,1,0,1,0,0|2,0,0]=4 564 B9R1.69 CC1=C(C)C=C(F)C=C1 002578 [0,1,0,1,0,0|2,0,0]=4 565 B9R1.69 CC1=C(C)C=C(I)C=C1 004948 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.69 CC1=C(C)C=C(N)C=C1 038327 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.69 CC1=C(C)C=C(O)C=C1 094083 [0,1,0,1,0,0|1,0,0]=3 568 B9R1.69 CC1=C(C)C=C(S)C=C1 001347 [0,1,0,1,0,0|1,1,0]=4 569 B9R1.69 CC1=C(C)N=C(N)C=C1 024688 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.69 CC1=C(Cl)C=CC(F)=C1 001598 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.69 CC1=C(Cl)C=CC(N)=C1 013941 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.69 CC1=C(F)C=CC(Br)=C1 001620 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.69 CC1=C(F)C=CC(Cl)=C1 001743 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.69 CC1=C(F)C=CC(Cl)=N1 033259 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.69 CC1=C(F)C=CC(F)=C1 001466 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.69 CC1=C(F)C=CC(N)=C1 006273 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.69 CC1=C(F)C=CC(O)=C1 006284 [0,1,0,1,0,0|1,0,0]=3 578 B9R1.69 CC1=C(I)C=CC(Br)=C1 018284 [0,1,0,1,0,0|2,0,0]=4 579 B9R1.69 CC1=C(I)C=CC(F)=C1 005416 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.69 CC1=C(N)C=CC(Br)=C1 024831 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.69 CC1=C(N)C=CC(Cl)=C1 024872 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.69 CC1=C(N)C=CC(F)=C1 001687 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.69 CC1=C(N)C=CC(I)=C1 005444 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.69 CC1=C(O)C=C(F)C=C1 013052 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.69 CC1=C(O)C=CC(Cl)=C1 034267 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.69 CC1=C(O)C=CC(F)=C1 006283 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.69 CC1=C(O)C=CC(N)=C1 046721 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.69 CC1=C(S)C=CC(Cl)=C1 023129 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.69 CC1=CC(Br)=C(C)C=C1 019270 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.69 CC1=CC(Br)=C(F)C=C1 004234 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.69 CC1=CC(Br)=C(I)C=C1 018283 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.69 CC1=CC(Br)=C(N)C=C1 001127 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.69 CC1=CC(Br)=CC=C1Cl 018264 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.69 CC1=CC(Br)=CC=C1O 018299 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.69 CC1=CC(C)=C(I)C=C1 001771 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.69 CC1=CC(C)=C(S)C=C1 001344 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.69 CC1=CC(Cl)=C(F)C=C1 009090 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.69 CC1=CC(Cl)=C(N)C=C1 036215 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.69 CC1=CC(Cl)=CC=C1I 018386 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.69 CC1=CC(F)=C(Br)C=C1 002344 [0,1,0,1,0,0|2,0,0]=4 601 B9R1.69 CC1=CC(F)=C(I)C=C1 013321 [0,1,0,1,0,0|2,0,0]=4 602 B9R1.69 CC1=CC(F)=C(N)C=C1 001686 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.69 CC1=CC(I)=C(C)C=C1 003509 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.69 CC1=CC(I)=C(F)C=C1 009207 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.69 CC1=CC(I)=C(I)C=C1 024614 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.69 CC1=CC(I)=CC=C1Cl 077705 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.69 CC1=CC(I)=CC=C1F 005313 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.69 CC1=CC(N)=C(Br)C=C1 032729 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.69 CC1=CC(N)=C(C)C=C1 094616 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.69 CC1=CC(N)=C(Cl)C=C1 033717 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.69 CC1=CC(N)=C(F)C=C1 021823 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.69 CC1=CC(N)=C(N)C=C1 037872 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.69 CC1=CC(O)=C(Br)C=C1 044749 [0,1,0,1,0,0|1,0,0]=3 614 B9R1.69 CC1=CC(O)=C(Cl)C=C1 044834 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.69 CC1=CC(O)=C(F)C=C1 007901 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.69 CC1=CC(O)=C(N)C=C1 043441 [0,1,0,1,0,0|1,0,0]=3 617 B9R1.69 CC1=CC(O)=C(O)C=C1 424851 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.69 CC1=CC(O)=CC=C1Br 018300 [0,1,0,1,0,0|1,0,0]=3 619 B9R1.69 CC1=CC(O)=CC=C1I 078711 [0,1,0,1,0,0|1,0,0]=3 620 B9R1.69 CC1=CC(O)=CC=C1N 078902 [0,1,0,1,0,0|1,0,0]=3 621 B9R1.69 CC1=CC(O)=CC=C1O 223171 [0,1,0,1,0,0|1,0,0]=3 622 B9R1.69 CC1=CC(S)=C(C)C=C1 001345 [0,1,0,1,0,0|1,1,0]=4 623 B9R1.69 CC1=CC(S)=CC=C1F 023080 [0,1,0,1,0,0|1,1,0]=4 624 B9R1.69 CC1=CC=C(Br)C(C)=C1 018327 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.69 CC1=CC=C(Br)C(Cl)=C1 018263 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 036228 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.69 CC1=CC=C(Br)C(F)=N1 077268 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.69 CC1=CC=C(Br)C=C1C 018328 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.69 CC1=CC=C(Br)C=C1O 043842 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.69 CC1=CC=C(C)C(Cl)=C1 094429 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.69 CC1=CC=C(Cl)C(Br)=C1 018261 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.69 CC1=CC=C(Cl)C(Cl)=C1 092496 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.69 CC1=CC=C(Cl)C(F)=C1 013287 [0,1,0,1,0,0|2,0,0]=4 634 B9R1.69 CC1=CC=C(Cl)C=C1O 018407 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.69 CC1=CC=C(I)C(Cl)=C1 018384 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.69 CC1=CC=C(I)C(N)=C1 064692 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.69 CC1=CC=C(N)C(C)=C1 098336 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.69 CC1=CC=C(N)C(C)=N1 079681 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.69 CC1=CC=C(N)C=C1O 078747 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.69 CC1=CC=C(O)C(Br)=C1 092949 [0,1,0,1,0,0|2,0,0]=4 641 B9R1.69 CC1=CC=C(O)C(C)=C1 208699 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.69 CC1=CC=C(O)C(C)=N1 208702 [0,1,0,1,0,0|2,0,0]=4 643 B9R1.69 CC1=CC=C(O)C(Cl)=C1 018404 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.69 CC1=CC=C(O)C(I)=N1 076967 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.69 CC1=CC=C(O)C(N)=C1 064689 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.69 CC1=CC=C(O)C=C1Br 077987 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.69 CC1=CC=C(O)C=C1Cl 018012 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.69 CC1=CN=C(C)N=C1O 189283 [0,1,0,1,0,0|2,0,0]=4 649 B9R1.69 CC1=NC(Br)=CC=C1F 033261 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.69 CC1=NC(Br)=CC=C1N 040412 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.69 CC1=NC(Cl)=CC=C1N 040121 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.69 CC1=NC(F)=CC=C1Br 045232 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.69 CC1=NC(N)=CC=C1Br 002495 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.69 CN1N=C(O)C=CC1=O 017164 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.69 NC1=C(F)C=C(O)C=C1 003988 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.69 NC1=C(O)C=C(F)C=C1 013054 [0,1,0,1,0,0|2,0,0]=4 657 B9R1.69 NC1=CC(O)=CC=C1Cl 219343 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.69 NC1=CC=C(Br)C=C1O 064750 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.69 NC1=CC=C(Cl)C=C1O 077868 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.69 NC1=CC=C(O)C=C1Cl 064719 [0,1,0,1,0,0|2,0,0]=4 661 B9R1.69 NC1=CC=C(O)C=C1O 224619 [0,1,0,1,0,0|2,0,0]=4 662 B9R1.69 OC1=C(Br)C=CC(F)=C1 004232 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.69 OC1=C(Cl)C=CC(F)=C1 004457 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.69 OC1=C(F)C=CC(Br)=C1 036161 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.69 OC1=C(F)C=CC(Cl)=C1 013285 [0,1,0,1,0,0|2,0,0]=4 666 B9R1.69 OC1=C(F)C=CC(F)=C1 001943 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.69 OC1=C(O)C=C(F)C=C1 013093 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.69 OC1=CC(Br)=C(Cl)C=C1 044958 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.69 OC1=CC(Cl)=C(Cl)C=C1 013050 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.69 OC1=CC(Cl)=C(F)C=C1 004458 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.69 OC1=CC(F)=C(Cl)C=C1 004459 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.69 OC1=CC(F)=C(F)C=C1 002091 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.69 OC1=CC=C(Br)C(F)=C1 019215 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.69 OC1=CC=C(Br)C(O)=C1 091463 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.69 OC1=CC=C(Br)C=C1O 210057 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.69 OC1=CC=C(Cl)C(O)=C1 208944 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.69 OC1=CC=C(F)C(Br)=C1 076795 [0,1,0,1,0,0|2,0,0]=4