0 B6R0.6 CCC\C=C\CO H41550 [1,0,0,0,0,0|0,0,3]=4 1 B6R0.6 C\C=C\C=C\CO H69109 [1,0,0,0,0,0|0,0,2]=3 2 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,1,0,0,0,0|1,0,0]=2 3 B8R0.1 CCOC(=O)\C=C\CBr E43399 [0,1,0,0,0,0|2,0,1]=4 4 B8R0.6 CCCC=CC(=O)OC M43802 [0,1,0,0,0,0|2,0,1]=4 5 B8R1.2 BrCC1=CC=NC=C1 B36897 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.2 BrCC1=CN=CC=C1 B23879 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.2 BrCC1=NC=CC=C1 B42841 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.2 BrCC1=NC=CN=C1 B36766 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.2 BrCC1=NC=NC=C1 B32305 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.2 BrCC1=NN=CC=C1 B36818 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.2 C#CC1=NC=CC=C1 E12434 [0,0,0,1,0,0|1,0,2]=4 12 B8R1.2 CCC1=NC=CN=C1 E43180 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.2 CNC1=CC=CN=C1 M38086 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 CNC1=CC=NC=C1 M68620 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 CNC1=NC=CN=C1 M41140 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 COC1=CC=NC=C1 M9391 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 COC1=CN=CC=C1 M67978 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.2 COC1=NC=CC=C1 M39277 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.2 COC1=NC=CN=C1 M2768 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.2 COC1=NN=CC=C1 M41021 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.2 CSC1=NC=CC=N1 M2492 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.2 ClCC1=CC=NC=C1 C68845 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.2 ClCC1=NC=CC=C1 C67870 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.2 ClCC1=NC=CC=N1 C0153 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.2 ClCC1=NC=CC=N1 C40877 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.2 ClCC1=NC=CN=C1 C0149 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.2 ClCC1=NC=NC=C1 C40878 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.2 ClCC1=NN=CC=C1 C0156 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.2 NCC1=CC=CN=C1 A69257 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.2 NCC1=CC=CN=N1 A0031 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.2 NCC1=CC=CN=N1 P29569 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.2 NCC1=CC=NC=C1 P67743 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.2 NCC1=NC=CC=N1 A7421 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.2 NCC1=NC=CC=N1 P0030 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.2 NCC1=NC=CN=C1 P0029 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.2 NCC1=NC=CN=C1 P4303 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.2 NCC1=NC=NC=C1 A0032 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.2 NCC1=NC=NC=C1 A10198 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.2 NCC1=NC=NC=C1 P23754 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.2 NNC1=CC=CC=C1 P68696 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.2 NNC1=NC=CC=C1 H38511 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.2 NOC1=CC=CC=C1 P43533 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.2 O=CC1=CC=NC=C1 P42598 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.2 O=CC1=CCCOC1 D43308 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.2 O=CC1=CN=CC=C1 P13753 [0,0,0,1,0,0|1,0,1]=3 46 B8R1.2 O=CC1=CN=CN=C1 F2817 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.2 O=CC1=CN=NC=C1 P7445 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.2 O=CC1=COCCC1 D43307 [0,0,0,1,0,0|1,0,1]=3 49 B8R1.2 O=CC1=NC=CC=C1 P67836 [0,0,0,1,0,0|1,0,1]=3 50 B8R1.2 O=CC1=NC=CC=N1 P0152 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.2 O=CC1=NC=CN=C1 P0148 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.2 O=CC1=NC=NC=C1 P40755 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,0,0,1,0,0|1,0,1]=3 54 B8R1.2 OCC1=CC=NC=C1 P43429 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.2 OCC1=CC=NC=C1 P67894 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.2 OCC1=CN=CC=C1 P15946 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.2 OCC1=NC=CC=C1 P69303 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.2 OCC1=NC=CC=N1 P0151 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.2 OCC1=NC=CN=C1 P0147 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.2 OCC1=NC=NC=C1 P0160 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.2 OCC1=NN=CC=C1 P0155 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.2 ONC1=CC=CC=C1 P67873 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.5 BrC1=C(I)C=CC=C1 B38417 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.5 CC1=C(Br)C=CN=C1 B10400 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.5 CC1=C(Br)C=NC=C1 B3515 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.5 CC1=C(Cl)C=CN=C1 C68326 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.5 CC1=C(Cl)C=NC=C1 C42844 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.5 CC1=C(F)C=CC=N1 F69193 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.5 CC1=C(F)C=CN=C1 F43525 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.5 CC1=C(F)C=NC=C1 F3668 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.5 CC1=C(I)C=CC=C1 K67847 [0,0,0,1,0,0|1,0,1]=3 74 B8R1.5 CC1=C(N)C=CN=C1 A4667 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.5 CC1=C(N)C=NC=C1 A14314 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.5 CC1=C(O)C=CC=N1 H10468 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.5 CC1=C(O)C=CN=C1 M43132 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.5 CC1=C(O)C=NC=C1 H12910 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.5 CC1=C([Mg+])C=CC=C1 M31729 [0,0,0,1,0,0|1,0,1]=3 80 B8R1.5 CC1=CC=CN=C1Br B13771 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.5 CC1=CC=CN=C1C L68373 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.5 CC1=CC=CN=C1Cl C21969 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.5 CC1=CC=CN=C1F F42847 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.5 CC1=CC=CN=C1N M20541 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.5 CC1=CC=CNC1=O M68618 [0,0,0,1,0,0|1,0,1]=3 86 B8R1.5 CC1=CC=NNC1=O M5790 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.5 CN1C=CC=CC1=O M62252 [0,0,0,1,0,0|1,0,0]=2 88 B8R1.5 C[N+]1=C(Cl)C=CC=C1 C39196 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.5 ClC1=C(Br)C=CC=C1 B67579 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.5 ClC1=C(I)C=CC=C1 C39233 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.5 FC1=C(Br)C=CC=C1 B42063 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.5 IC1=C(I)C=CC=C1 D38439 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.5 NC1=C(F)C=CC=C1 F66698 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.5 NC1=C(I)C=CC=C1 K67831 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.5 NC1=CNC=CC1=O A41025 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.5 O=C1C=COC=C1O H23906 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.5 O=C1NC=CC=C1Br B12634 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.5 O=C1OC=CC=C1O H39075 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.5 OC1=C(F)C=CC=C1 F60817 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.5 OC1=C(I)C=CC=C1 K68101 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.8 CCCC1=CC=CS1 P43744 [0,0,0,1,0,0|0,1,1]=3 102 B8R1.8 CCCC1=NC=CN1 P68616 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.8 CCCC1=NC=CS1 P43394 [0,0,0,1,0,0|1,1,1]=4 104 B8R1.8 CCNC1=NC=CS1 E41366 [0,0,0,1,0,0|2,1,0]=4 105 B8R1.8 CCOC1=NC=CS1 E41172 [0,0,0,1,0,0|2,1,0]=4 106 B8R1.8 CNCC1=CC=CS1 M43398 [0,0,0,1,0,0|1,1,1]=4 107 B8R1.8 NCCC1=CC=CS1 T12818 [0,0,0,1,0,0|1,1,1]=4 108 B8R1.8 OCCC1=CC=CS1 T12817 [0,0,0,1,0,0|1,1,1]=4 109 B8R1.11 BrCC1=C(Br)SC=C1 B7575 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.11 CC1=C(C=O)N=CN1 M41031 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.11 CC1=C(C=O)N=CS1 M41008 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.11 CC1=C(C=O)NC=C1 M63105 [0,0,0,1,0,0|1,0,1]=3 113 B8R1.11 CC1=C(C=O)SC=C1 M39271 [0,0,0,1,0,0|1,0,1]=3 114 B8R1.11 CC1=C(C=O)SC=N1 M41007 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.11 CC1=CSC=C1C=O M29934 [0,0,0,1,0,0|1,0,1]=3 116 B8R1.11 CC1=NNC=C1C=O M5838 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.11 CCC1=NC=CN1C E46632 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.11 CCN1C=CN=C1C E63017 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.11 CCN1N=CC=C1N E10472 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.11 CN1C=CC=C1C#N M61385 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.11 CN1C=CC=C1C=O M17296 [0,0,0,1,0,0|1,0,0]=2 122 B8R1.11 CN1C=CC=C1CN M41429 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.11 CN1C=CN=C1C=O M14037 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.11 CN1N=CC=C1C=O M12515 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.11 CN1N=NC=C1C=O M40133 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.11 CSC1=C(C)OC=C1 M43319 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.11 ClCC1=C(Cl)SC=C1 C37492 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.11 O=CC1=C(Br)C=CN1 B14575 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.11 O=CC1=C(Br)C=CO1 B6471 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.11 O=CC1=C(Br)C=CS1 B14081 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.11 O=CC1=C(Br)SC=C1 B38048 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.11 O=CC1=C(Cl)C=CN1 C14573 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.11 O=CC1=C(Cl)C=CS1 C14086 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.11 O=CC1=C(Cl)SC=C1 C40693 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.11 O=CC1=C(I)SC=C1 K40695 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.11 O=CC1=CSC=C1Br B40692 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.11 OCC1=C(Br)C=CS1 B14083 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.11 OCC1=C(Br)SC=C1 B41017 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.11 OCC1=C(Cl)C=CS1 C11289 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,1,0,0|0,0,2]=3 142 B8R1.49 C1=CCCC=CCC1 B62320 [0,0,0,1,0,0|1,0,2]=4 143 B8R1.49 C1=CCCC=CCC1 B68003 [0,0,0,1,0,0|1,0,2]=4 144 B5R0.2 CCO\C=C/Br B2725 [2,0,0,0,0,0|2,0,0]=4 145 B7R0.4 CCC\C=C\C(=O)O H41460 [1,1,0,0,0,0|0,0,1]=3 146 B7R0.4 CCOC=CC(=O)O E41226 [1,1,0,0,0,0|1,0,0]=3 147 B7R0.4 COC\C=C\C(=O)O M63576 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.7 CCOC(=O)\C=C\I E41181 [1,1,0,0,0,0|2,0,0]=4 150 B7R1.1 BrCC1=CSC=C1 B60823 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,1,0,0|0,1,1]=4 152 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,1,0,0|1,1,0]=4 154 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,1,0,0|1,1,0]=4 157 B7R1.1 NCC1=CNC=C1 P26218 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.1 NCC1=CSC=C1 T41357 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,1,0,0|1,0,0]=3 160 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,1,0,0|1,0,0]=3 161 B7R1.1 O=CC1=CC=NO1 K40060 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,1,0,0|0,0,1]=3 163 B7R1.1 O=CC1=CN=CO1 X11928 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.1 O=CC1=CN=CS1 T2161 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.1 O=CC1=CNC=C1 P25022 [1,0,0,1,0,0|1,0,1]=4 166 B7R1.1 O=CC1=COC=C1 F65465 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.1 O=CC1=CSC=C1 T12697 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.1 O=CC1=CSC=N1 T2159 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.1 O=CC1=NC=CN1 F2135 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.1 O=CC1=NC=CS1 T2877 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.1 O=CC1=NNC=C1 P23454 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.1 O=CC1=NOC=C1 I0114 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,1,0,0|1,1,0]=4 174 B7R1.1 OCC1=COC=C1 F41115 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.1 OCC1=CSC=C1 T12827 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.3 CC1=CC=CN=N1 M0216 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.3 CC1=NC=CC=N1 M68916 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.3 CC1=NC=CN=C1 M61917 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.3 CC1=NC=NC=C1 M7491 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.3 C[N+]1=CC=CC=C1 M38728 [1,0,0,1,0,0|1,0,0]=3 181 B7R1.3 FC1=NC=CC=C1 F4862 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.3 IC1=CC=CC=C1 I38419 [1,0,0,1,0,0|1,0,1]=4 183 B7R1.3 IC1=NC=CC=C1 K67594 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.3 NC1=NC=CC=C1 A23973 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.3 O=C1C=CC=NN1 P5932 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.3 O=C1C=CCCN1 D67780 [1,0,0,1,0,0|1,0,1]=4 187 B7R1.3 O=C1C=CCOC1 P26982 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.3 O=C1C=CN=CN1 P0246 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.3 O=C1C=COC=C1 P40862 [1,0,0,1,0,0|1,0,1]=4 190 B7R1.3 O=C1C=NC=CN1 H68630 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.3 O=C1N=CC=CN1 P67458 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.3 OC1=NC=CC=C1 P61113 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.3 [Mg+]C1=CC=CC=C1 P31728 [1,0,0,1,0,0|1,0,1]=4 194 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.4 CC1=C(Br)SC=C1 B12699 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.4 CC1=C(Cl)SC=C1 C39173 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.4 CC1=CNC=C1C D12050 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.4 CC1=CSC=C1Br B40866 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.4 CN1NC=CC1=O M40184 [1,0,0,1,0,0|2,0,0]=4 200 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [0,1,0,1,0,0|1,0,1]=4 204 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [0,1,0,1,0,0|0,0,1]=3 211 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [0,1,0,1,0,0|1,0,1]=4 218 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [0,1,0,1,0,0|1,0,1]=4 219 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [0,1,0,1,0,0|1,0,1]=4 220 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [0,1,0,1,0,0|1,0,1]=4 221 B9R1.2 CCC1=CC(=O)NC=N1 E43198 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.2 CCC1=CC(=O)NN=C1 E43197 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.2 CCC1=CC(Cl)=NC=N1 C69336 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [0,1,0,1,0,0|1,0,0]=3 228 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [0,1,0,1,0,0|1,0,0]=3 229 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [0,1,0,1,0,0|1,0,0]=3 230 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [0,1,0,1,0,0|1,0,0]=3 231 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [0,1,0,1,0,0|1,0,0]=3 235 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.2 CNC1=NC=CC(Br)=C1 B23788 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.2 CNC1=NC=CC(N)=C1 M43544 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.2 COC1=CC(=O)NC=C1 M43139 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.2 COC1=CC(O)=CC=C1 M27960 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.2 COC1=CC=CC(F)=C1 F45965 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.2 COC1=CC=CC(F)=N1 F67375 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.2 COC1=CC=CC(I)=C1 K45966 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.2 COC1=CC=CC(I)=N1 K42932 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.2 COC1=NC(N)=CC=C1 A43190 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.2 COC1=NC=CC(C)=C1 M46379 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.2 COC1=NC=CC(F)=C1 F42927 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.2 COC1=NC=CC(I)=C1 K60534 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.2 COC1=NC=CC(N)=C1 M3947 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.2 COC1=NC=CC(O)=C1 M38428 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.2 CSC1=NC=CC(Cl)=C1 C42846 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.2 ClCC1=NC=CC(Cl)=C1 C32395 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.2 NC1=CC(C=O)=NC=C1 A37575 [0,1,0,1,0,0|1,0,1]=4 274 B9R1.2 NC1=CC(CO)=NC=C1 A15900 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.2 NC1=CC=CC(C=O)=C1 A46548 [0,1,0,1,0,0|0,0,2]=4 276 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.2 NCC1=CC(=O)NC=C1 A1717 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.2 O=C1C=C(CO)C=CN1 H0460 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.2 O=C1C=CC=C(CO)N1 H23237 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.2 O=C1C=CN=C(CCl)N1 C40934 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.2 O=CC1=CC(Br)=CN=C1 B3012 [0,1,0,1,0,0|1,0,1]=4 294 B9R1.2 O=CC1=CC(Cl)=CN=C1 C15036 [0,1,0,1,0,0|1,0,1]=4 295 B9R1.2 O=CC1=CC(F)=CN=C1 F15543 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.2 O=CC1=CC(O)=CC=C1 H15969 [0,1,0,1,0,0|0,0,2]=4 297 B9R1.2 O=CC1=CC=CC(Br)=C1 B68146 [0,1,0,1,0,0|0,0,2]=4 298 B9R1.2 O=CC1=CC=CC(Br)=N1 B0253 [0,1,0,1,0,0|1,0,1]=4 299 B9R1.2 O=CC1=CC=CC(Cl)=C1 C69283 [0,1,0,1,0,0|0,0,2]=4 300 B9R1.2 O=CC1=CC=CC(Cl)=N1 C42296 [0,1,0,1,0,0|1,0,1]=4 301 B9R1.2 O=CC1=CC=CC(F)=C1 F45149 [0,1,0,1,0,0|0,0,2]=4 302 B9R1.2 O=CC1=CC=CC(F)=N1 F42303 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.2 O=CC1=CC=CC(I)=C1 K45152 [0,1,0,1,0,0|0,0,2]=4 304 B9R1.2 O=CC1=CN=CC(O)=C1 H37579 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.2 O=CC1=NC=CC(Br)=C1 B15000 [0,1,0,1,0,0|1,0,1]=4 306 B9R1.2 O=CC1=NC=CC(Cl)=C1 C10313 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.2 O=CC1=NC=CC(F)=C1 F16335 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.2 OCC1=NC=CC(Br)=C1 B0602 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.2 OCC1=NC=CC(Cl)=C1 C12436 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,1,0,1,0,0|0,1,1]=4 320 B9R1.8 BrCCC1=CC=NC=C1 B46088 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.8 CC#CC1=CC=CC=C1 P68608 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.8 CCCC1=NC=CC=C1 P46859 [0,1,0,1,0,0|1,0,0]=3 323 B9R1.8 CCCC1=NC=CN=C1 P43598 [0,1,0,1,0,0|1,0,1]=4 324 B9R1.8 CCNC1=NC=CN=C1 E43330 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.8 CCOC1=NC=CC=C1 E46369 [0,1,0,1,0,0|1,0,0]=3 326 B9R1.8 CNCC1=CC=NC=C1 M43623 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.8 CNCC1=NC=CC=N1 M14362 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.8 CNCC1=NC=CC=N1 M31227 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.8 CNCC1=NC=CN=C1 M14584 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.8 CNNC1=CC=CC=C1 M46459 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.8 COCC1=NC=CC=C1 M46377 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.8 N#CCC1=NC=CC=C1 P45196 [0,1,0,1,0,0|1,0,1]=4 334 B9R1.8 NCCC1=CC=CN=C1 P43605 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.8 NCCC1=NC=CC=C1 P67673 [0,1,0,1,0,0|1,0,0]=3 336 B9R1.8 NCCC1=NC=NC=C1 P14666 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.8 NCCC1=NC=NC=C1 P29961 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.8 NNCC1=CC=CC=C1 B6123 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.8 NNCC1=CC=CC=C1 B68081 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.8 NNCC1=NC=CC=C1 H0098 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.8 NOCC1=CC=CC=C1 B68114 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.8 O=COC1=CC=CC=C1 P45508 [0,1,0,1,0,0|0,0,2]=4 343 B9R1.8 OCCC1=CC=NC=C1 H46381 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.8 OCCC1=CN=CC=C1 P46376 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.8 OCCC1=NC=CN=C1 P24824 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.8 ONCC1=CC=CC=C1 B36744 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.8 ONCC1=CC=CC=C1 B46575 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [0,1,0,1,0,0|1,0,0]=3 350 B9R1.12 CCOCC1=CC=CO1 E38338 [0,1,0,1,0,0|0,0,2]=4 351 B9R1.12 ICCCC1=CC=CS1 K46278 [0,1,0,1,0,0|0,1,1]=4 352 B9R1.12 O=CC=CC1=CC=CO1 F45509 [0,1,0,1,0,0|0,0,2]=4 353 B9R1.12 O=C\C=C\C1=CC=CO1 F45510 [0,1,0,1,0,0|0,0,2]=4 354 B9R1.12 OCCCC1=CC=CS1 T36724 [0,1,0,1,0,0|0,1,1]=4 355 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [0,1,0,1,0,0|1,0,1]=4 357 B9R1.15 CC1=C(C=O)C=CC=N1 M1759 [0,1,0,1,0,0|0,0,1]=3 358 B9R1.15 CC1=C(C=O)C=NC=C1 M1852 [0,1,0,1,0,0|0,0,1]=3 359 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [0,1,0,1,0,0|1,0,1]=4 367 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.15 CC1=CC=CN=C1C=O M1872 [0,1,0,1,0,0|0,0,1]=3 372 B9R1.15 CC1=CC=CN=C1CCl C14758 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.15 CC1=CC=CN=C1CCl C46105 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.15 CC1=CC=CN=C1CN M46460 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.15 CC1=CC=CN=C1CO H46388 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.15 CC1=NC=CN=C1C=O M14617 [0,1,0,1,0,0|1,0,1]=4 377 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [0,1,0,1,0,0|1,0,0]=3 379 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [0,1,0,1,0,0|1,0,0]=3 381 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [0,1,0,1,0,0|1,0,0]=3 384 B9R1.15 CCC1=C(F)C=NC=N1 E0673 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [0,1,0,1,0,0|1,0,0]=3 386 B9R1.15 CCC1=CC=NNC1=O E43195 [0,1,0,1,0,0|1,0,0]=3 387 B9R1.15 CCC1=CN=CN=C1Cl C42985 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.15 CCC1=NC=CN=C1C E43603 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.15 CCC1=NC=CN=C1Cl C38966 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.15 CCC1=NC=CN=C1N E43328 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.15 CCC1=NC=CNC1=O E43188 [0,1,0,1,0,0|1,0,0]=3 392 B9R1.15 CC[N+]1=C(Br)C=CC=C1 B46367 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [0,1,0,1,0,0|1,0,1]=4 394 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [0,1,0,1,0,0|1,0,1]=4 395 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [0,1,0,1,0,0|1,0,1]=4 397 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [0,1,0,1,0,0|1,0,1]=4 399 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [0,1,0,1,0,0|0,0,2]=4 403 B9R1.15 CNC1=CC=CN=C1Cl C42994 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.15 CNC1=CC=CN=C1N M62813 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.15 CNC1=NC=CC=C1N M43341 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.15 COC1=C(Br)C=NC=C1 B9421 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.15 COC1=C(Cl)C=NC=C1 C42901 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.15 COC1=C(F)C=CC=N1 F42926 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.15 COC1=C(I)C=CC=C1 K68160 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.15 COC1=C(I)C=CC=N1 K42933 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.15 COC1=C(I)C=NC=C1 K42934 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.15 COC1=C(N)C=NC=C1 A43191 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.15 COC1=C(N)N=CC=C1 A69248 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [0,1,0,1,0,0|1,0,1]=4 419 B9R1.15 COC1=CC=CN=C1Br B4536 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.15 COC1=CC=CN=C1Cl C24085 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.15 COC1=CC=CN=C1F F42924 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.15 COC1=CC=CN=C1I K62151 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.15 COC1=CNC=NC1=O M41033 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.15 COC1=NC=CC=C1C M46378 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.15 COC1=NC=CC=C1N A12743 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [0,1,0,1,0,0|1,0,1]=4 428 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [0,1,0,1,0,0|1,0,1]=4 433 B9R1.15 FC1=CC=CN=C1CBr B19661 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.15 FC1=CC=CN=C1CBr B7783 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.15 FC1=CC=CN=C1CCl C13988 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.15 N#CC1=CC=CNC1=O H1679 [0,1,0,1,0,0|1,0,1]=4 437 B9R1.15 NC1=C(C=O)C=CC=C1 A32220 [0,1,0,1,0,0|0,0,2]=4 438 B9R1.15 NC1=C(C=O)C=CC=N1 A25218 [0,1,0,1,0,0|1,0,1]=4 439 B9R1.15 NC1=C(C=O)C=CN=C1 A12878 [0,1,0,1,0,0|1,0,1]=4 440 B9R1.15 NC1=C(C=O)C=NC=C1 A9624 [0,1,0,1,0,0|1,0,1]=4 441 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [0,1,0,1,0,0|1,0,1]=4 442 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.15 NC1=CC=CN=C1CO A24069 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [0,1,0,1,0,0|1,0,1]=4 445 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.15 NCC1=C(Br)C=NC=C1 B36920 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [0,1,0,1,0,0|1,0,1]=4 448 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [0,1,0,1,0,0|1,0,1]=4 449 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [0,1,0,1,0,0|1,0,1]=4 452 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.15 NCC1=C(F)C=NC=C1 F9408 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [0,1,0,1,0,0|1,0,1]=4 457 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [0,1,0,1,0,0|0,0,2]=4 458 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [0,1,0,1,0,0|0,0,2]=4 459 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [0,1,0,1,0,0|1,0,1]=4 460 B9R1.15 NCC1=C(O)C=NC=C1 A43200 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.15 NCC1=CC=CN=C1Cl A10464 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.15 NCC1=CC=CN=C1F F43528 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.15 NCC1=CC=NNC1=O A14522 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.15 O=CC1=C(Br)C=CC=C1 B38420 [0,1,0,1,0,0|0,0,2]=4 465 B9R1.15 O=CC1=C(Br)C=CC=N1 B23547 [0,1,0,1,0,0|1,0,1]=4 466 B9R1.15 O=CC1=C(Br)C=NC=C1 B5403 [0,1,0,1,0,0|1,0,1]=4 467 B9R1.15 O=CC1=C(Cl)C=CC=C1 C67575 [0,1,0,1,0,0|0,0,2]=4 468 B9R1.15 O=CC1=C(Cl)C=CC=N1 C42298 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.15 O=CC1=C(Cl)C=CN=C1 C4985 [0,1,0,1,0,0|1,0,1]=4 470 B9R1.15 O=CC1=C(Cl)C=NC=C1 C42297 [0,1,0,1,0,0|1,0,1]=4 471 B9R1.15 O=CC1=C(Cl)CCCC1 C46451 [0,1,0,1,0,0|0,0,2]=4 472 B9R1.15 O=CC1=C(F)C=CC=C1 F68099 [0,1,0,1,0,0|0,0,2]=4 473 B9R1.15 O=CC1=C(F)C=CC=N1 F12613 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.15 O=CC1=C(F)C=NC=C1 F12612 [0,1,0,1,0,0|1,0,1]=4 475 B9R1.15 O=CC1=C(I)C=CC=C1 I0665 [0,1,0,1,0,0|0,0,2]=4 476 B9R1.15 O=CC1=C(O)C=NC=C1 H67691 [0,1,0,1,0,0|1,0,1]=4 477 B9R1.15 O=CC1=CC=CN=C1Br B67403 [0,1,0,1,0,0|1,0,1]=4 478 B9R1.15 O=CC1=CC=CN=C1Cl C3459 [0,1,0,1,0,0|1,0,1]=4 479 B9R1.15 O=CC1=CC=CN=C1F F2386 [0,1,0,1,0,0|1,0,1]=4 480 B9R1.15 O=CC1=CC=CNC1=O X42600 [0,1,0,1,0,0|1,0,1]=4 481 B9R1.15 O=CC1=NC=CC=C1O H14795 [0,1,0,1,0,0|1,0,1]=4 482 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [0,1,0,1,0,0|1,0,1]=4 483 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.15 OCC1=C(Br)C=NC=C1 B9966 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [0,1,0,1,0,0|1,0,1]=4 486 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.15 OCC1=C(Cl)C=CN=C1 C42911 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.15 OCC1=C(Cl)C=CN=C1 C42915 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.15 OCC1=C(F)C=CN=C1 F30083 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.15 OCC1=C(F)C=NC=C1 F10404 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [0,1,0,1,0,0|1,0,1]=4 494 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [0,1,0,1,0,0|1,0,1]=4 495 B9R1.15 OCC1=CC=CN=C1Br B69414 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.15 OCC1=CC=CN=C1Cl C0580 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.15 OCC1=CC=CN=C1F F42930 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.22 CC1=CC(C)=C(C=O)N1 D37937 [0,1,0,1,0,0|1,0,1]=4 499 B9R1.22 CC1=NN(C)C(C=O)=C1 D3606 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.27 CC1=C(C=O)N(C)C=N1 D36814 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.27 CN1N=CC(I)=C1C=O K40948 [0,1,0,1,0,0|2,0,0]=4 502 B9R1.69 CC1=C(Br)C=C(Br)C=C1 D45155 [0,1,0,1,0,0|1,0,1]=4 503 B9R1.69 CC1=C(Br)C=C(F)C=C1 B68836 [0,1,0,1,0,0|1,0,1]=4 504 B9R1.69 CC1=C(Br)C=C(I)C=C1 B45176 [0,1,0,1,0,0|1,0,1]=4 505 B9R1.69 CC1=C(Br)C=C(N)C=C1 B39411 [0,1,0,1,0,0|1,0,1]=4 506 B9R1.69 CC1=C(Br)C=C(O)C=C1 B45948 [0,1,0,1,0,0|1,0,1]=4 507 B9R1.69 CC1=C(Br)C=CC(Br)=C1 D39368 [0,1,0,1,0,0|1,0,1]=4 508 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 B9485 [0,1,0,1,0,0|1,0,1]=4 509 B9R1.69 CC1=C(Br)C=CC(F)=C1 B45168 [0,1,0,1,0,0|1,0,1]=4 510 B9R1.69 CC1=C(Br)C=CC(I)=C1 B45173 [0,1,0,1,0,0|1,0,1]=4 511 B9R1.69 CC1=C(Br)C=CC(N)=C1 B61976 [0,1,0,1,0,0|1,0,1]=4 512 B9R1.69 CC1=C(Br)C=CC(N)=C1 B67860 [0,1,0,1,0,0|1,0,1]=4 513 B9R1.69 CC1=C(Br)C=CC(O)=C1 B39404 [0,1,0,1,0,0|1,0,1]=4 514 B9R1.69 CC1=C(C)C=C(F)C=C1 F49166 [0,1,0,1,0,0|1,0,1]=4 515 B9R1.69 CC1=C(C)C=C(I)C=C1 K49170 [0,1,0,1,0,0|1,0,1]=4 516 B9R1.69 CC1=C(C)C=C([Mg+])C=C1 D31727 [0,1,0,1,0,0|1,0,1]=4 517 B9R1.69 CC1=C(Cl)C=C(Br)C=C1 B39370 [0,1,0,1,0,0|1,0,1]=4 518 B9R1.69 CC1=C(Cl)C=C(F)C=C1 C60661 [0,1,0,1,0,0|1,0,1]=4 519 B9R1.69 CC1=C(Cl)C=C(N)C=C1 C65827 [0,1,0,1,0,0|1,0,1]=4 520 B9R1.69 CC1=C(Cl)C=C(O)C=C1 C45955 [0,1,0,1,0,0|1,0,1]=4 521 B9R1.69 CC1=C(Cl)C=C([Mg+])C=C1 C31809 [0,1,0,1,0,0|1,0,1]=4 522 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 B45163 [0,1,0,1,0,0|1,0,1]=4 523 B9R1.69 CC1=C(Cl)C=CC(I)=C1 C45179 [0,1,0,1,0,0|1,0,1]=4 524 B9R1.69 CC1=C(Cl)C=CC(N)=C1 C25031 [0,1,0,1,0,0|1,0,1]=4 525 B9R1.69 CC1=C(Cl)C=CC([Mg+])=C1 C31776 [0,1,0,1,0,0|1,0,1]=4 526 B9R1.69 CC1=C(F)C=C(Br)C=C1 B68837 [0,1,0,1,0,0|1,0,1]=4 527 B9R1.69 CC1=C(F)C=C(Cl)C=C1 C68878 [0,1,0,1,0,0|1,0,1]=4 528 B9R1.69 CC1=C(F)C=C(I)C=C1 F45194 [0,1,0,1,0,0|1,0,1]=4 529 B9R1.69 CC1=C(F)C=C(N)C=C1 F46113 [0,1,0,1,0,0|1,0,1]=4 530 B9R1.69 CC1=C(F)C=C(O)C=C1 F45960 [0,1,0,1,0,0|1,0,1]=4 531 B9R1.69 CC1=C(F)C=C([Mg+])C=C1 F31745 [0,1,0,1,0,0|1,0,1]=4 532 B9R1.69 CC1=C(F)C=CC(Cl)=C1 C45178 [0,1,0,1,0,0|1,0,1]=4 533 B9R1.69 CC1=C(F)C=CC(F)=C1 D45185 [0,1,0,1,0,0|1,0,1]=4 534 B9R1.69 CC1=C(F)C=CC(I)=C1 F39375 [0,1,0,1,0,0|1,0,1]=4 535 B9R1.69 CC1=C(F)C=CC(N)=C1 F39413 [0,1,0,1,0,0|1,0,1]=4 536 B9R1.69 CC1=C(F)C=CC(O)=C1 F45963 [0,1,0,1,0,0|1,0,1]=4 537 B9R1.69 CC1=C(F)C=CC([Mg+])=C1 F31747 [0,1,0,1,0,0|1,0,1]=4 538 B9R1.69 CC1=C(I)C=C(Br)C=C1 B37920 [0,1,0,1,0,0|1,0,1]=4 539 B9R1.69 CC1=C(I)C=C(Cl)C=C1 C38509 [0,1,0,1,0,0|1,0,1]=4 540 B9R1.69 CC1=C(I)C=C(F)C=C1 F45195 [0,1,0,1,0,0|1,0,1]=4 541 B9R1.69 CC1=C(I)C=C(N)C=C1 K46118 [0,1,0,1,0,0|1,0,1]=4 542 B9R1.69 CC1=C(I)C=CC(Br)=C1 B39374 [0,1,0,1,0,0|1,0,1]=4 543 B9R1.69 CC1=C(I)C=CC(Cl)=C1 C45182 [0,1,0,1,0,0|1,0,1]=4 544 B9R1.69 CC1=C(I)C=CC(F)=C1 F39376 [0,1,0,1,0,0|1,0,1]=4 545 B9R1.69 CC1=C(I)C=CC(O)=C1 K45969 [0,1,0,1,0,0|1,0,1]=4 546 B9R1.69 CC1=C(N)C=C(Br)C=C1 B39412 [0,1,0,1,0,0|1,0,1]=4 547 B9R1.69 CC1=C(N)C=C(I)C=C1 K46121 [0,1,0,1,0,0|1,0,1]=4 548 B9R1.69 CC1=C(N)C=C(O)C=C1 A38014 [0,1,0,1,0,0|1,0,1]=4 549 B9R1.69 CC1=C(N)C=CC(F)=C1 F68357 [0,1,0,1,0,0|1,0,1]=4 550 B9R1.69 CC1=C(N)C=CC(I)=C1 K46119 [0,1,0,1,0,0|1,0,1]=4 551 B9R1.69 CC1=C(N)C=CC(O)=C1 A39417 [0,1,0,1,0,0|1,0,1]=4 552 B9R1.69 CC1=C(O)C=C(Br)C=C1 B45951 [0,1,0,1,0,0|0,0,2]=4 553 B9R1.69 CC1=C(O)C=C(F)C=C1 F45964 [0,1,0,1,0,0|0,0,2]=4 554 B9R1.69 CC1=C(O)C=C(O)C=C1 M28674 [0,1,0,1,0,0|0,0,2]=4 555 B9R1.69 CC1=C(O)C=CC(Br)=C1 B45950 [0,1,0,1,0,0|0,0,2]=4 556 B9R1.69 CC1=C(O)C=CC(F)=C1 F45962 [0,1,0,1,0,0|0,0,2]=4 557 B9R1.69 CC1=C(O)C=CC(I)=C1 K45968 [0,1,0,1,0,0|0,0,2]=4 558 B9R1.69 CC1=C(O)C=CC(N)=C1 A46374 [0,1,0,1,0,0|0,0,2]=4 559 B9R1.69 CC1=C([Mg+])C=C(F)C=C1 F31748 [0,1,0,1,0,0|1,0,1]=4 560 B9R1.69 CC1=C([Mg+])C=CC(Cl)=C1 C31775 [0,1,0,1,0,0|1,0,1]=4 561 B9R1.69 CC1=C([Mg+])C=CC(F)=C1 F31746 [0,1,0,1,0,0|1,0,1]=4 562 B9R1.69 CC1=CC(Br)=C(C)C=C1 D39511 [0,1,0,1,0,0|1,0,1]=4 563 B9R1.69 CC1=CC(Br)=CNC1=O B42891 [0,1,0,1,0,0|1,0,1]=4 564 B9R1.69 CC1=CC(C)=C(Br)C=C1 D39510 [0,1,0,1,0,0|1,0,1]=4 565 B9R1.69 CC1=CC(C)=C([Mg+])C=C1 D31735 [0,1,0,1,0,0|1,0,1]=4 566 B9R1.69 CC1=CC(F)=C(C)C=C1 F49165 [0,1,0,1,0,0|1,0,1]=4 567 B9R1.69 CC1=CC([Mg+])=C(C)C=C1 D31736 [0,1,0,1,0,0|1,0,1]=4 568 B9R1.69 CN1C=C(Br)C=CC1=O B1570 [0,1,0,1,0,0|1,0,0]=3 569 B9R1.69 CN1C=C(Br)C=NC1=O B40922 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.69 CN1C=C(Br)N=CC1=O B40921 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.69 CN1C=C(F)C=CC1=O F42931 [0,1,0,1,0,0|1,0,0]=3 572 B9R1.69 CN1C=C(I)C=CC1=O I36800 [0,1,0,1,0,0|1,0,0]=3 573 B9R1.69 CN1C=C(N)C=CC1=O A0224 [0,1,0,1,0,0|1,0,0]=3 574 B9R1.69 CN1C=C(N)C=CC1=O A7467 [0,1,0,1,0,0|1,0,0]=3 575 B9R1.69 CN1C=CC(=O)C=C1Br B42890 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.69 CN1C=CC(Br)=CC1=O B7728 [0,1,0,1,0,0|1,0,0]=3 577 B9R1.69 CN1C=CC(I)=CC1=O K42937 [0,1,0,1,0,0|1,0,0]=3 578 B9R1.69 CN1C=CC(N)=CC1=O A9086 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.69 CN1C=CC(N)=CC1=O P0053 [0,1,0,1,0,0|1,0,0]=3 580 B9R1.69 CN1C=NC(Cl)=CC1=O C40937 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.69 CN1N=C(Br)C=CC1=O B40924 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.69 CN1N=CC(I)=CC1=O I12967 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.69 CN1N=CC(N)=CC1=O A12961 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.5 NC1=CC=CC=CC1=O A62027 [0,1,0,1,0,0|0,0,2]=4 585 B9R1.14 CCN1C=CN=C1C=O E43212 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.14 CCN1C=NC=C1C=O E43539 [0,1,0,1,0,0|1,0,0]=3 587 B9R1.14 COC1=C(C=O)C=CS1 M29841 [0,1,0,1,0,0|1,0,0]=3 588 B9R1.14 COC1=C(C=O)OC=C1 M6472 [0,1,0,1,0,0|1,0,0]=3 589 B9R1.14 N#CC1=C(C=O)NC=C1 F42088 [0,1,0,1,0,0|1,0,1]=4 590 B9R1.14 O=CC1=C(C=O)SC=C1 T42326 [0,1,0,1,0,0|1,0,1]=4 591 B9R1.14 O=CC1=CSC=C1C=O T37260 [0,1,0,1,0,0|1,0,1]=4 592 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [0,1,0,1,0,0|0,0,2]=4 595 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [0,1,0,1,0,0|1,0,1]=4 598 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [0,1,0,1,0,0|2,0,0]=4 601 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [0,1,0,1,0,0|1,0,1]=4 602 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [0,1,0,1,0,0|1,0,0]=3 603 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [0,1,0,1,0,0|1,0,0]=3 604 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [0,1,0,1,0,0|1,0,0]=3 605 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [0,1,0,1,0,0|1,0,0]=3 606 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [0,1,0,1,0,0|1,0,0]=3 609 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [0,1,0,1,0,0|1,0,0]=3 611 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [0,1,0,1,0,0|1,0,0]=3 612 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [0,1,0,1,0,0|2,0,0]=4 615 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [0,1,0,1,0,0|2,0,0]=4 616 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.1 CNC1=NC=C(Br)C=C1 B42975 [0,1,0,1,0,0|2,0,0]=4 618 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.1 CNC1=NC=C(F)C=C1 F32100 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.1 CNC1=NC=C(N)C=C1 M43342 [0,1,0,1,0,0|2,0,0]=4 621 B9R1.1 CNC1=NC=C(N)C=C1 M43545 [0,1,0,1,0,0|2,0,0]=4 622 B9R1.1 COC1=CC=C(S)C=C1 M46276 [0,1,0,1,0,0|2,0,0]=4 623 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.1 COC1=NC=C(C)C=C1 M67554 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.1 COC1=NC=C(F)C=C1 F24011 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.1 COC1=NC=C(I)C=C1 K42935 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.1 COC1=NC=C(N)C=C1 A12692 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.1 COC1=NC=C(O)C=C1 H43140 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [0,1,0,1,0,0|2,0,0]=4 634 B9R1.1 CSC1=NC=C(Br)C=C1 B2646 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [0,1,0,1,0,0|2,0,0]=4 641 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [0,1,0,1,0,0|2,0,0]=4 643 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.1 NC1=NC=C(C=O)C=C1 A12393 [0,1,0,1,0,0|1,0,1]=4 645 B9R1.1 NC1=NC=C(C=O)C=C1 A43519 [0,1,0,1,0,0|1,0,1]=4 646 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [0,1,0,1,0,0|2,0,0]=4 649 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [0,1,0,1,0,0|2,0,0]=4 657 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [0,1,0,1,0,0|0,0,2]=4 660 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [0,1,0,1,0,0|0,0,2]=4 661 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [0,1,0,1,0,0|0,0,2]=4 662 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [0,1,0,1,0,0|0,0,2]=4 663 B9R1.1 O=CC1=CN=C(Br)C=C1 B2834 [0,1,0,1,0,0|1,0,1]=4 664 B9R1.1 O=CC1=CN=C(Cl)C=C1 C3215 [0,1,0,1,0,0|1,0,1]=4 665 B9R1.1 O=CC1=CN=C(F)C=C1 F13991 [0,1,0,1,0,0|1,0,1]=4 666 B9R1.1 O=CC1=CNC(=O)C=C1 X42601 [0,1,0,1,0,0|1,0,1]=4 667 B9R1.1 O=CC1=NC=C(Br)C=C1 B1678 [0,1,0,1,0,0|1,0,1]=4 668 B9R1.1 O=CC1=NC=C(Cl)C=C1 C5623 [0,1,0,1,0,0|1,0,1]=4 669 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [0,1,0,1,0,0|1,0,1]=4 670 B9R1.1 O=CC1=NN=C(Cl)C=C1 C9432 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.1 O=CC1=NNC(=O)C=C1 X3635 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.3 CC1=C(Br)C=CC=C1Br D45153 [0,1,0,1,0,0|1,0,1]=4 680 B9R1.3 CC1=C(Br)C=CC=C1Cl B39372 [0,1,0,1,0,0|1,0,1]=4 681 B9R1.3 CC1=C(Br)C=CC=C1F B45164 [0,1,0,1,0,0|1,0,1]=4 682 B9R1.3 CC1=C(Br)C=CC=C1N B9477 [0,1,0,1,0,0|1,0,1]=4 683 B9R1.3 CC1=C(Br)C=CC=C1O B45947 [0,1,0,1,0,0|0,0,2]=4 684 B9R1.3 CC1=C(Cl)C=CC=C1N C64896 [0,1,0,1,0,0|1,0,1]=4 685 B9R1.3 CC1=C(Cl)C=CC=C1O C45954 [0,1,0,1,0,0|0,0,2]=4 686 B9R1.3 CC1=C(F)C=CC=C1F D45186 [0,1,0,1,0,0|1,0,1]=4 687 B9R1.3 CC1=C(F)C=CC=C1N F46112 [0,1,0,1,0,0|1,0,1]=4 688 B9R1.3 CC1=C(F)C=CC=C1O F38593 [0,1,0,1,0,0|0,0,2]=4 689 B9R1.3 CC1=C(I)C=CC=C1Br B38558 [0,1,0,1,0,0|1,0,1]=4 690 B9R1.3 CC1=C(I)C=CC=C1Cl C45180 [0,1,0,1,0,0|1,0,1]=4 691 B9R1.3 CC1=C(I)C=CC=C1F F45192 [0,1,0,1,0,0|1,0,1]=4 692 B9R1.3 CC1=C(I)C=CC=C1N A46115 [0,1,0,1,0,0|1,0,1]=4 693 B9R1.3 CC1=C(O)C=CC=C1N A46372 [0,1,0,1,0,0|0,0,2]=4 694 B9R1.3 CC1=C(O)C=CC=C1O M68594 [0,1,0,1,0,0|0,0,2]=4 695 B9R1.3 CC1=C([Mg+])C=CC=C1F F31749 [0,1,0,1,0,0|1,0,1]=4 696 B9R1.3 CC1=CC=CC(Br)=C1Cl B45161 [0,1,0,1,0,0|1,0,1]=4 697 B9R1.3 CC1=CC=CC(Br)=C1F B45166 [0,1,0,1,0,0|1,0,1]=4 698 B9R1.3 CC1=CC=CC(Br)=C1I B45172 [0,1,0,1,0,0|1,0,1]=4 699 B9R1.3 CC1=CC=CC(Br)=C1N B9480 [0,1,0,1,0,0|1,0,1]=4 700 B9R1.3 CC1=CC=CC(Br)=C1O B45946 [0,1,0,1,0,0|0,0,2]=4 701 B9R1.3 CC1=CC=CC(C)=C1Br D49159 [0,1,0,1,0,0|1,0,1]=4 702 B9R1.3 CC1=CC=CC(C)=C1Cl C68697 [0,1,0,1,0,0|1,0,1]=4 703 B9R1.3 CC1=CC=CC(C)=C1F F49164 [0,1,0,1,0,0|1,0,1]=4 704 B9R1.3 CC1=CC=CC(C)=C1I K49169 [0,1,0,1,0,0|1,0,1]=4 705 B9R1.3 CC1=CC=CC(C)=C1[Mg+] D31737 [0,1,0,1,0,0|1,0,1]=4 706 B9R1.3 CC1=CC=CC(Cl)=C1Br B45162 [0,1,0,1,0,0|1,0,1]=4 707 B9R1.3 CC1=CC=CC(Cl)=C1I C45181 [0,1,0,1,0,0|1,0,1]=4 708 B9R1.3 CC1=CC=CC(Cl)=C1N C46093 [0,1,0,1,0,0|1,0,1]=4 709 B9R1.3 CC1=CC=CC(F)=C1Br B45169 [0,1,0,1,0,0|1,0,1]=4 710 B9R1.3 CC1=CC=CC(F)=C1C F49163 [0,1,0,1,0,0|1,0,1]=4 711 B9R1.3 CC1=CC=CC(F)=C1F D45187 [0,1,0,1,0,0|1,0,1]=4 712 B9R1.3 CC1=CC=CC(F)=C1I F45190 [0,1,0,1,0,0|1,0,1]=4 713 B9R1.3 CC1=CC=CC(F)=C1N F38493 [0,1,0,1,0,0|1,0,1]=4 714 B9R1.3 CC1=CC=CC(I)=C1Br B45174 [0,1,0,1,0,0|1,0,1]=4 715 B9R1.3 CC1=CC=CC(I)=C1C K49168 [0,1,0,1,0,0|1,0,1]=4 716 B9R1.3 CC1=CC=CC(I)=C1Cl C45184 [0,1,0,1,0,0|1,0,1]=4 717 B9R1.3 CC1=CC=CC(N)=C1Br B46073 [0,1,0,1,0,0|1,0,1]=4 718 B9R1.3 CC1=CC=CC(N)=C1Cl C46091 [0,1,0,1,0,0|1,0,1]=4 719 B9R1.3 CC1=CC=CC(N)=C1F A37863 [0,1,0,1,0,0|1,0,1]=4 720 B9R1.3 CC1=CC=CC(N)=C1I K63048 [0,1,0,1,0,0|1,0,1]=4 721 B9R1.3 CC1=CC=CC(N)=C1N M68904 [0,1,0,1,0,0|1,0,1]=4 722 B9R1.3 CC1=CC=CC(O)=C1Br B45945 [0,1,0,1,0,0|1,0,1]=4 723 B9R1.3 CC1=CC=CC(O)=C1F F45957 [0,1,0,1,0,0|1,0,1]=4 724 B9R1.3 CC1=CC=CC(O)=C1N A46371 [0,1,0,1,0,0|1,0,1]=4 725 B9R1.3 CC1=CC=CC(O)=C1O M68593 [0,1,0,1,0,0|0,0,2]=4 726 B9R1.3 CC1=CC=CC([Mg+])=C1C D31734 [0,1,0,1,0,0|1,0,1]=4 727 B9R1.3 CN1C(=O)C=CC=C1Br B42892 [0,1,0,1,0,0|1,0,0]=3 728 B9R1.3 CN1C(=O)C=CC=C1Cl C42913 [0,1,0,1,0,0|1,0,0]=3 729 B9R1.3 CN1C=CC=C(Br)C1=O B12857 [0,1,0,1,0,0|1,0,0]=3 730 B9R1.3 CN1C=CC=C(N)C1=O A20230 [0,1,0,1,0,0|1,0,0]=3 731 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [0,1,0,1,0,0|1,1,0]=4 732 B9R1.11 COC(=O)C1=CC=CN1 M11015 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.11 COC(=O)C1=CC=CO1 M39270 [0,1,0,1,0,0|1,0,1]=4 734 B9R1.11 COC(=O)C1=CC=CS1 M42941 [0,1,0,1,0,0|1,1,0]=4 735 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [0,1,0,1,0,0|1,1,0]=4 736 B9R1.21 CCC1=CSC(C=O)=N1 E43175 [0,1,0,1,0,0|1,0,0]=3 737 B9R1.21 CCN1C=C(C=O)C=N1 E3269 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.21 COC1=NC=C(C=O)S1 M40995 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.21 N#CC1=CC=C(C=O)S1 F38024 [0,1,0,1,0,0|1,0,1]=4 740 B9R1.21 O=CC1=CC=C(C=O)O1 F65460 [0,1,0,1,0,0|1,0,1]=4 741 B9R1.21 O=CC1=CC=C(C=O)S1 T42327 [0,1,0,1,0,0|1,0,1]=4 742 B9R1.21 O=CC1=CC=C(CO)N1 H43148 [0,1,0,1,0,0|1,0,0]=3 743 B9R1.132 CC1=CNC(C=O)=C1C D12049 [0,1,0,1,0,0|1,0,1]=4 744 B9R1.132 CC1=NC=C(C=O)N1C D61627 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.132 CN1C(Br)=CN=C1C=O B40925 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [0,1,0,1,0,0|1,0,0]=3 748 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [0,1,0,1,0,0|1,0,0]=3 749 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [0,1,0,1,0,0|1,0,0]=3 753 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [0,1,0,1,0,0|1,0,0]=3 754 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [0,1,0,1,0,0|1,0,0]=3 755 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [0,1,0,1,0,0|1,0,0]=3 757 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [0,1,0,1,0,0|1,0,0]=3 759 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [0,1,0,1,0,0|1,0,0]=3 760 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [0,1,0,1,0,0|1,0,0]=3 767 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [0,1,0,1,0,0|1,0,0]=3 771 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [0,1,0,1,0,0|1,0,0]=3 773 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [0,1,0,1,0,0|0,0,2]=4 777 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [0,1,0,1,0,0|1,0,1]=4 778 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [0,1,0,1,0,0|1,0,1]=4 779 B9R1.6 O=C(O)C1=COCCC1 D23573 [0,1,0,1,0,0|1,0,1]=4 780 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [0,1,0,1,0,0|1,0,1]=4 781 B9R1.6 O=C(O)C1=NN=CC=C1 P3149 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [0,1,0,1,0,0|0,0,2]=4 783 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [0,1,0,1,0,0|0,0,2]=4 784 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [0,1,0,1,0,0|0,0,2]=4 785 B9R1.41 CC(=O)C1=CN=CN1C M43213 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.41 CC(=O)C1=CNC=C1C M67633 [0,1,0,1,0,0|1,0,1]=4 787 B9R1.41 CC(=O)C1=NC=CN1C A1591 [0,1,0,1,0,0|2,0,0]=4 788 B9R1.41 CC1=C(C(=O)O)C=CN1 M39104 [0,1,0,1,0,0|1,0,1]=4 789 B9R1.41 CC1=C(C(=O)O)C=CO1 M63194 [0,1,0,1,0,0|1,0,1]=4 790 B9R1.41 CC1=C(C(=O)O)C=CS1 M36640 [0,1,0,1,0,0|1,0,1]=4 791 B9R1.41 CC1=C(C(=O)O)NC=C1 M43146 [0,1,0,1,0,0|1,0,1]=4 792 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,1,0,1,0,0|1,0,1]=4 793 B9R1.41 CC1=C(C(=O)O)SC=C1 M42942 [0,1,0,1,0,0|1,0,1]=4 794 B9R1.41 CC1=CSC=C1C(=O)O M25374 [0,1,0,1,0,0|1,0,1]=4 795 B9R1.41 CN1C=CC=C1C(=O)O M68591 [0,1,0,1,0,0|1,0,0]=3 796 B9R1.41 CN1C=CN=C1C(=O)O M12222 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.41 CN1C=NC=C1C(=O)O M2857 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.41 CN1N=CC=C1C(=O)O M3734 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.41 NC(=O)C1=CC=CN1N A5122 [0,1,0,1,0,0|2,0,0]=4 800 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [0,0,0,2,0,0|1,0,0]=3 801 B9R2.39 O=C1NC2C=CC1C2 A0848 [0,0,0,2,0,0|1,0,1]=4 802 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 A29605 [0,0,0,2,0,0|1,0,1]=4 803 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 A25418 [0,0,0,2,0,0|1,0,1]=4