0 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 C=COCC1=CC=CC=C1 B26636 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [0,0,0,0,0,0|1,0,3]=4 9 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.17 NCCNC1=CC=CC=C1 P61733 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.17 NCCOC1=CC=CC=C1 P46889 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [0,0,0,0,0,0|0,0,2]=2 15 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [0,0,0,0,0,0|0,0,4]=4 16 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,0,0,0,0,0|1,0,3]=4 17 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.8 CC#CC1=CC=CC=C1 P68608 [1,0,0,0,0,0|0,0,3]=4 19 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,0,0,0,0|0,0,1]=2 21 B9R1.8 IC#CC1=CC=CC=C1 I1886 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.8 N#COC1=CC=CC=C1 P44923 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 NNCC1=CC=CC=C1 B6123 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 NNCC1=CC=CC=C1 B68081 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 NOCC1=CC=CC=C1 B68114 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 O=C=NC1=NC=CC=C1 C64750 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [1,0,0,0,0,0|1,1,1]=4 32 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [1,0,0,0,0,0|1,0,2]=4 33 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 T52412 [0,1,0,0,0,0|0,0,0]=1 35 B11R1.1 O=CC=CC1=CC=C(F)C=C1 F51323 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [0,1,0,0,0,0|0,0,2]=3 37 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [0,1,0,0,0,0|0,0,2]=3 38 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 B51314 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 C51321 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [0,1,0,0,0,0|1,0,2]=4 43 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.17 O=C\C=C\C1=C(Cl)C=CC=C1 C51320 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.24 O=CCCC1=CC=CC(Br)=C1 B64250 [0,1,0,0,0,0|0,0,2]=3 46 B11R1.24 O=CNNC1=CC=CC(Cl)=N1 F4991 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.24 O=C\C=C\C1=CC=CC(Br)=C1 B51313 [0,1,0,0,0,0|0,0,0]=1 48 B11R1.24 O=C\C=C\C1=CC=CC(Cl)=C1 C51317 [0,1,0,0,0,0|0,0,0]=1 49 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [0,1,0,0,0,0|1,0,2]=4 50 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [0,1,0,0,0,0|0,0,2]=3 52 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [0,1,0,0,0,0|0,0,2]=3 53 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,1,0,0,0,0|0,0,0]=1 62 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,1,0,0,0,0|1,0,1]=3 64 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [0,1,0,0,0,0|0,0,0]=1 65 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,1,0,0,0,0|0,0,2]=3 66 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [0,1,0,0,0,0|0,0,2]=3 67 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [0,1,0,0,0,0|1,0,2]=4 68 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [0,1,0,0,0,0|0,0,0]=1 77 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,1,0,0,0,0|1,0,2]=4 80 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P4986 [0,1,0,0,0,0|1,0,1]=3 81 B11R2.1 BrC1=C2C=CC=CN2C=N1 B44745 [0,0,0,1,0,0|3,0,0]=4 82 B11R2.1 BrC1=C2C=CC=CN2N=C1 B9817 [0,0,0,1,0,0|3,0,0]=4 83 B11R2.1 BrC1=CN=C2C=CC=CN12 B15558 [0,0,0,1,0,0|3,0,0]=4 84 B11R2.1 BrC1=CNC2=C1C=CC=N2 B0249 [0,0,0,1,0,0|3,0,0]=4 85 B11R2.1 BrC1=CNC2=C1C=CN=C2 B1048 [0,0,0,1,0,0|3,0,0]=4 86 B11R2.1 BrC1=CNC2=C1C=NC=C2 B12650 [0,0,0,1,0,0|3,0,0]=4 87 B11R2.1 BrC1=CNC2=CC=CN=C12 B15504 [0,0,0,1,0,0|3,0,0]=4 88 B11R2.1 BrC1=COC2=C1C=CC=C2 B47829 [0,0,0,1,0,0|2,0,0]=3 89 B11R2.1 BrC1=CSC2=C1C=CC=C2 B47535 [0,0,0,1,0,0|2,0,0]=3 90 B11R2.1 BrC1=CSC2=C1C=CC=N2 B44419 [0,0,0,1,0,0|3,0,0]=4 91 B11R2.1 BrC1=CSC2=C1C=CN=C2 B9453 [0,0,0,1,0,0|3,0,0]=4 92 B11R2.1 BrC1=CSC2=C1C=NC=C2 B9502 [0,0,0,1,0,0|3,0,0]=4 93 B11R2.1 BrC1=CSC2=CC=CN=C12 B12493 [0,0,0,1,0,0|3,0,0]=4 94 B11R2.1 BrC1=NNC2=C1C=CC=C2 B0436 [0,0,0,1,0,0|3,0,0]=4 95 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [0,0,0,1,0,0|1,0,1]=3 96 B11R2.1 CC1=CN=C2C=CC=CN12 M0025 [0,0,0,1,0,0|3,0,0]=4 97 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [0,0,0,1,0,0|2,0,0]=3 98 B11R2.1 CC1=CNC2=C1C=NC=C2 M22503 [0,0,0,1,0,0|3,0,0]=4 99 B11R2.1 CC1=CNC2=NC=CC=C12 M7858 [0,0,0,1,0,0|3,0,0]=4 100 B11R2.1 CC1=NNC2=C1C=CC=C2 M1829 [0,0,0,1,0,0|3,0,0]=4 101 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [0,0,0,1,0,0|3,0,0]=4 102 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [0,0,0,1,0,0|2,0,0]=3 103 B11R2.1 CN1C=CC2=NC=CC=C21 M36638 [0,0,0,1,0,0|3,0,0]=4 104 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [0,0,0,1,0,0|3,0,0]=4 105 B11R2.1 CN1N=CC2=C1C=CC=C2 M14463 [0,0,0,1,0,0|3,0,0]=4 106 B11R2.1 ClC1=C2C=CC=CN2N=C1 C44777 [0,0,0,1,0,0|3,0,0]=4 107 B11R2.1 ClC1=CNC2=C1C=CC=N2 C1529 [0,0,0,1,0,0|3,0,0]=4 108 B11R2.1 ClC1=NNC2=C1C=CC=C2 C44767 [0,0,0,1,0,0|3,0,0]=4 109 B11R2.1 ClC1=NOC2=C1C=CC=C2 C44531 [0,0,0,1,0,0|3,0,0]=4 110 B11R2.1 ClC1=NSC2=C1C=CC=C2 C25325 [0,0,0,1,0,0|3,0,0]=4 111 B11R2.1 FC1=CNC2=C1C=CC=N2 F18191 [0,0,0,1,0,0|3,0,0]=4 112 B11R2.1 FC1=NNC2=C1C=CC=C2 F39022 [0,0,0,1,0,0|3,0,0]=4 113 B11R2.1 IC1=C2C=CC=CN2C=N1 I36787 [0,0,0,1,0,0|3,0,0]=4 114 B11R2.1 IC1=CN=C2C=CC=CN12 K44805 [0,0,0,1,0,0|3,0,0]=4 115 B11R2.1 IC1=CNC2=C1C=CC=N2 K3799 [0,0,0,1,0,0|3,0,0]=4 116 B11R2.1 IC1=CNC2=C1C=CN=C2 I3239 [0,0,0,1,0,0|3,0,0]=4 117 B11R2.1 IC1=CNC2=C1C=NC=C2 I15557 [0,0,0,1,0,0|3,0,0]=4 118 B11R2.1 IC1=CNC2=CC=CN=C12 K44806 [0,0,0,1,0,0|3,0,0]=4 119 B11R2.1 IC1=NNC2=C1C=CC=C2 X9686 [0,0,0,1,0,0|3,0,0]=4 120 B11R2.1 NC1=CN=C2C=CC=CN12 I12078 [0,0,0,1,0,0|3,0,0]=4 121 B11R2.1 NC1=CNC2=NC=CC=C12 A3801 [0,0,0,1,0,0|3,0,0]=4 122 B11R2.1 NC1=NCC2=C1C=CC=C2 K49609 [0,0,0,1,0,0|2,0,1]=4 123 B11R2.1 NC1=NCC2=C1C=CC=C2 K64548 [0,0,0,1,0,0|2,0,1]=4 124 B11R2.1 NC1=NOC2=C1C=CC=C2 B45214 [0,0,0,1,0,0|3,0,0]=4 125 B11R2.1 NC1=NSC2=C1C=CC=C2 B69175 [0,0,0,1,0,0|3,0,0]=4 126 B11R2.1 NN1C=CC2=C1C=CC=C2 K64885 [0,0,0,1,0,0|2,0,0]=3 127 B11R2.1 NN1N=CC2=C1C=CC=C2 K45720 [0,0,0,1,0,0|3,0,0]=4 128 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,0,0,1,0,0|1,0,2]=4 129 B11R2.1 O=C1CCC2=C1C=CN=C2 C23220 [0,0,0,1,0,0|1,0,2]=4 130 B11R2.1 O=C1CCC2=C1C=NC=C2 C24049 [0,0,0,1,0,0|1,0,2]=4 131 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,0,0,1,0,0|1,0,2]=4 132 B11R2.1 O=C1COC2=C1C=CN=C2 F37015 [0,0,0,1,0,0|2,0,1]=4 133 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [0,0,0,1,0,0|1,0,1]=3 134 B11R2.1 O=C1NCC2=C1C=CC=N2 D45227 [0,0,0,1,0,0|2,0,1]=4 135 B11R2.1 O=C1NCC2=C1C=NC=C2 D1721 [0,0,0,1,0,0|2,0,1]=4 136 B11R2.1 O=C1NN=C2C=CC=CN12 T42480 [0,0,0,1,0,0|3,0,0]=4 137 B11R2.1 O=C1NNC2=C1C=CC=N2 P42478 [0,0,0,1,0,0|3,0,0]=4 138 B11R2.1 O=C1NNC2=C1C=CN=C2 P42479 [0,0,0,1,0,0|3,0,0]=4 139 B11R2.1 O=C1OCC2=C1C=CC=N2 F44926 [0,0,0,1,0,0|2,0,1]=4 140 B11R2.1 O=[S@]1C=NC2=C1C=CC=C2 B45069 [0,0,0,1,0,0|2,0,0]=3 141 B11R2.1 OC1=COC2=C1N=CC=C2 F32399 [0,0,0,1,0,0|2,0,1]=4 142 B11R2.20 C1=CC2=CN=CC=C2N=C1 N68351 [0,0,0,1,0,0|2,0,0]=3 143 B11R2.20 C1=CC=C2C=NC=CC2=C1 Q68586 [0,0,0,1,0,0|2,0,0]=3 144 B11R2.20 C1=CC=C2N=CC=NC2=C1 Q69216 [0,0,0,1,0,0|2,0,0]=3 145 B11R2.20 C1=CN=C2C=CC=NC2=C1 N47854 [0,0,0,1,0,0|2,0,0]=3 146 B11R2.20 C1=CN=C2N=CC=CC2=C1 D38003 [0,0,0,1,0,0|2,0,0]=3 147 B11R2.20 C1=CN=C2N=CC=NC2=C1 P44854 [0,0,0,1,0,0|3,0,0]=4 148 B11R2.20 C1=NC=C2N=CC=NC2=C1 P61942 [0,0,0,1,0,0|3,0,0]=4 149 B9R1.12 O=CC=CC1=CC=CO1 F45509 [0,0,0,0,1,0|1,0,0]=2 150 B9R1.12 O=C\C=C\C1=CC=CO1 F45510 [0,0,0,0,1,0|1,0,0]=2 151 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 O=CC1=CC=NC=C1 P42598 [2,0,0,0,0,0|1,0,0]=3 154 B8R1.2 O=CC1=CN=CC=C1 P13753 [2,0,0,0,0,0|1,0,0]=3 155 B8R1.2 O=CC1=CN=CN=C1 F2817 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 O=CC1=CN=NC=C1 P7445 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.2 O=CC1=NC=CC=C1 P67836 [2,0,0,0,0,0|1,0,0]=3 158 B8R1.2 O=CC1=NC=CC=N1 P0152 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.2 O=CC1=NC=CN=C1 P0148 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.2 O=CC1=NC=NC=C1 P40755 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,1,0,0,0,0|0,0,1]=3 163 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,1,0,0,0,0|0,0,1]=3 164 B10R1.1 ON=CC1=CC=C(O)C=C1 H45817 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.1 O\N=C\C1=CC=C(F)C=C1 F64667 [1,1,0,0,0,0|1,0,1]=4 166 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,1,0,0,0,0|0,0,2]=4 167 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 V62500 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,1,0,0,0,0|0,0,2]=4 170 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [1,1,0,0,0,0|0,0,0]=2 171 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,1,0,0,0,0|0,0,1]=3 176 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,1,0,0,0,0|0,0,1]=3 179 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [1,1,0,0,0,0|1,1,0]=4 186 B10R1.16 CC1=CC=C(C=CC=O)O1 M49076 [0,1,0,0,1,0|1,0,0]=3 187 B10R1.66 O=C(O)\C=C\C1=CC=CO1 F24145 [0,1,0,0,1,0|1,0,0]=3 188 B10R1.66 O=C(O)\C=C\C1=CC=CS1 T16653 [0,1,0,0,1,0|1,0,0]=3 189 B10R1.66 O=C(O)\C=C\C1=COC=C1 F4978 [0,1,0,0,1,0|1,0,0]=3 190 B10R1.66 O=C(O)\C=C\C1=CSC=C1 T61269 [0,1,0,0,1,0|1,0,0]=3 191 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 N4996 [0,1,0,0,1,0|2,0,0]=4 192 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 N7715 [0,1,0,0,1,0|2,0,0]=4 193 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 B49191 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [0,2,0,0,0,0|0,0,0]=2 195 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [0,2,0,0,0,0|0,0,0]=2 196 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [0,2,0,0,0,0|0,0,0]=2 197 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [0,2,0,0,0,0|0,0,2]=4 198 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [0,2,0,0,0,0|1,0,1]=4 199 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=C1 A48825 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 C50769 [0,2,0,0,0,0|0,0,2]=4 201 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [0,2,0,0,0,0|0,0,0]=2 202 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [0,2,0,0,0,0|0,0,0]=2 203 B12R1.21 O=C(O)C=CC1=CN=C(Br)C=C1 B47990 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.21 O=C(O)C=CC1=NC=C(F)C=C1 F38916 [0,2,0,0,0,0|1,0,0]=3 205 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [0,2,0,0,0,0|0,0,2]=4 206 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [0,2,0,0,0,0|0,0,2]=4 207 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [0,2,0,0,0,0|0,0,2]=4 208 B12R1.21 O=[N+]([O-])C=CC1=CC=C(O)C=C1 N48495 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Br)C=C1 B68926 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.21 OB(O)\C=C\C1=CC=C(Cl)C=C1 C2298 [0,2,0,0,0,0|1,0,1]=4 211 B12R1.21 OB(O)\C=C\C1=CC=C(F)C=C1 F3384 [0,2,0,0,0,0|1,0,1]=4 212 B12R1.71 COC1=CC=C(CNC=O)C=C1 M50050 [0,2,0,0,0,0|1,0,1]=4 213 B12R1.17 N#C\C=C(/Cl)C1=CC(F)=CC=C1 C65881 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 X51780 [0,2,0,0,0,0|0,0,1]=3 215 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M61037 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 M54755 [0,2,0,0,0,0|0,0,2]=4 217 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,2,0,0,0,0|0,0,1]=3 219 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,2,0,0,0,0|1,0,1]=4 221 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,2,0,0,0,0|1,0,1]=4 222 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,2,0,0,0,0|0,0,2]=4 223 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [0,2,0,0,0,0|1,0,1]=4 224 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [0,2,0,0,0,0|1,0,1]=4 225 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,2,0,0,0,0|0,0,2]=4 226 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,2,0,0,0,0|0,0,2]=4 227 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,2,0,0,0,0|0,0,2]=4 228 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,2,0,0,0,0|0,0,2]=4 229 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,2,0,0,0,0|0,0,2]=4 230 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,2,0,0,0,0|0,0,2]=4 231 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,2,0,0,0,0|0,0,1]=3 232 B12R1.121 COC1=C(CCC=O)C=CC=C1 M52790 [0,2,0,0,0,0|0,0,2]=4 233 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,2,0,0,0,0|1,0,1]=4 234 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [0,2,0,0,0,0|0,0,0]=2 235 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,2,0,0,0,0|0,0,2]=4 236 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [0,2,0,0,0,0|1,0,1]=4 237 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,2,0,0,0,0|0,0,2]=4 238 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,2,0,0,0,0|0,0,2]=4 239 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,2,0,0,0,0|0,0,2]=4 240 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,2,0,0,0,0|0,0,2]=4 241 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [0,2,0,0,0,0|1,0,1]=4 242 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [0,2,0,0,0,0|1,0,1]=4 243 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [0,2,0,0,0,0|0,0,0]=2 244 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [0,2,0,0,0,0|0,0,0]=2 245 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [0,2,0,0,0,0|0,0,0]=2 246 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [0,2,0,0,0,0|0,0,0]=2 247 B12R1.125 O=[N+]([O-])C=CC1=C(Cl)C=CC=C1 C47994 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.125 O=[N+]([O-])\C=C\C1=C(Cl)C=CC=C1 C47995 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 F61821 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 A20644 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 H51779 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [0,2,0,0,0,0|0,0,2]=4 253 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [0,2,0,0,0,0|1,0,1]=4 254 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [0,2,0,0,0,0|0,0,0]=2 255 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [0,2,0,0,0,0|0,0,0]=2 256 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [0,2,0,0,0,0|0,0,0]=2 257 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [0,2,0,0,0,0|0,0,2]=4 258 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [0,2,0,0,0,0|0,0,2]=4 259 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [0,2,0,0,0,0|0,0,2]=4 260 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [0,2,0,0,0,0|0,0,2]=4 261 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [0,2,0,0,0,0|1,0,1]=4 262 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [0,2,0,0,0,0|1,0,1]=4 263 B12R1.226 O=[N+]([O-])C=CC1=CC=CC(F)=C1 F47997 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 F62637 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.8 O=CCCOCC1=CC=CC=C1 B1995 [0,2,0,0,0,0|0,0,2]=4 266 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [0,2,0,0,0,0|1,0,1]=4 267 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [0,2,0,0,0,0|1,0,1]=4 268 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [0,2,0,0,0,0|0,0,2]=4 269 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,2,0,0,0,0|0,0,2]=4 270 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,2,0,0,0,0|1,0,1]=4 271 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [0,2,0,0,0,0|1,0,1]=4 272 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [0,2,0,0,0,0|1,0,1]=4 273 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [0,2,0,0,0,0|1,0,1]=4 274 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,2,0,0,0,0|0,0,2]=4 275 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [0,2,0,0,0,0|1,0,1]=4 276 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [0,2,0,0,0,0|1,0,1]=4 277 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [0,2,0,0,0,0|0,0,2]=4 278 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [0,2,0,0,0,0|0,0,2]=4 279 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [0,2,0,0,0,0|0,0,2]=4 280 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,2,0,0,0,0|0,0,1]=3 281 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,2,0,0,0,0|0,0,2]=4 282 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,2,0,0,0,0|1,0,1]=4 283 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,2,0,0,0,0|1,0,1]=4 284 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O M62826 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,2,0,0,0,0|0,0,2]=4 286 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,2,0,0,0,0|0,0,2]=4 287 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,2,0,0,0,0|0,0,2]=4 288 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [0,2,0,0,0,0|0,0,2]=4 289 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,2,0,0,0,0|0,0,2]=4 290 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,2,0,0,0,0|0,0,2]=4 291 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,2,0,0,0,0|0,0,2]=4 292 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [0,2,0,0,0,0|1,0,1]=4 293 B12R1.891 O=S(=O)(Cl)\C=C\C1=CC=CC=C1 P48606 [0,2,0,0,0,0|1,0,0]=3 294 B10R1.30 CC1=C(C=O)C=C(Br)C=C1 B48718 [0,0,1,1,0,0|1,0,1]=4 295 B10R1.30 CC1=C(C=O)C=C(F)C=C1 F48743 [0,0,1,1,0,0|1,0,1]=4 296 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 B48712 [0,0,1,1,0,0|1,0,1]=4 297 B10R1.30 CC1=CC(C=O)=C(C)C=C1 D38715 [0,0,1,1,0,0|0,0,2]=4 298 B10R1.30 CC1=CC(C=O)=C(Cl)C=C1 C48727 [0,0,1,1,0,0|1,0,1]=4 299 B10R1.30 CC1=CC(C=O)=C(F)C=C1 F48738 [0,0,1,1,0,0|1,0,1]=4 300 B10R1.30 CC1=CC(C=O)=C(O)C=C1 H49070 [0,0,1,1,0,0|1,0,1]=4 301 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 A10804 [0,0,1,1,0,0|2,0,0]=4 302 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 A45481 [0,0,1,1,0,0|2,0,0]=4 303 B10R1.30 O=CC1=C(Br)C=CC(Br)=C1 D44633 [0,0,1,1,0,0|2,0,0]=4 304 B10R1.30 O=CC1=C(Br)C=CC(Cl)=C1 B37820 [0,0,1,1,0,0|2,0,0]=4 305 B10R1.30 O=CC1=C(Br)C=CC(I)=C1 B44658 [0,0,1,1,0,0|2,0,0]=4 306 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 B45082 [0,0,1,1,0,0|2,0,0]=4 307 B10R1.30 O=CC1=C(Cl)C=CC(Br)=C1 B44642 [0,0,1,1,0,0|2,0,0]=4 308 B10R1.30 O=CC1=C(Cl)C=CC(Cl)=C1 D39344 [0,0,1,1,0,0|2,0,0]=4 309 B10R1.30 O=CC1=C(Cl)C=CC(F)=C1 C44663 [0,0,1,1,0,0|2,0,0]=4 310 B10R1.30 O=CC1=C(Cl)C=CC(O)=C1 C45090 [0,0,1,1,0,0|2,0,0]=4 311 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 F66905 [0,0,1,1,0,0|2,0,0]=4 312 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 C5663 [0,0,1,1,0,0|2,0,0]=4 313 B10R1.30 O=CC1=C(F)C=CC(F)=C1 D44676 [0,0,1,1,0,0|2,0,0]=4 314 B10R1.30 O=CC1=C(F)C=CC(O)=C1 F45099 [0,0,1,1,0,0|2,0,0]=4 315 B10R1.30 O=CC1=C(I)C=CC(Br)=C1 B28649 [0,0,1,1,0,0|2,0,0]=4 316 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 C67854 [0,0,1,1,0,0|2,0,0]=4 317 B10R1.30 O=CC1=C(O)C=CC(F)=C1 F67833 [0,0,1,1,0,0|2,0,0]=4 318 B10R1.30 O=CC1=C(O)C=CC(I)=C1 H45105 [0,0,1,1,0,0|2,0,0]=4 319 B10R1.30 O=CC1=C(O)C=CC(O)=C1 D60796 [0,0,1,1,0,0|2,0,0]=4 320 B10R1.20 C=CC1=C(C=O)C=CC=C1 V51543 [0,0,1,1,0,0|2,0,0]=4 321 B10R1.172 C#CC1=CC=CC(C=O)=C1 E50961 [0,0,1,1,0,0|0,0,2]=4 322 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [0,0,1,1,0,0|0,0,2]=4 323 B10R1.172 COC1=CC=CC(C=O)=C1 M67838 [0,0,1,1,0,0|1,0,1]=4 324 B10R1.172 N#CC1=CC=CC(C=O)=C1 C47711 [0,0,1,1,0,0|1,0,1]=4 325 B10R1.172 O=CC1=CC(CO)=CC=C1 H36764 [0,0,1,1,0,0|1,0,1]=4 326 B10R1.172 O=CC1=CC=CC(C=O)=N1 P32211 [0,0,1,1,0,0|2,0,0]=4 327 B10R1.172 O=CC1=CC=CC(CBr)=C1 B48710 [0,0,1,1,0,0|1,0,1]=4 328 B10R1.176 C=CC1=CC(F)=C(Cl)C=C1 C60746 [0,0,1,1,0,0|2,0,0]=4 329 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [1,0,0,1,0,0|2,0,0]=4 330 B10R2.7 C1=CC2=C(C=C1)NN=C2 I14459 [1,0,0,1,0,0|2,0,0]=4 331 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [1,0,0,1,0,0|1,0,1]=4 332 B10R2.7 C1=CC2=C(C=C1)SC=N2 B68567 [1,0,0,1,0,0|1,1,0]=4 333 B10R2.7 C1=CC2=C(C=CN2)C=N1 A3184 [1,0,0,1,0,0|2,0,0]=4 334 B10R2.7 C1=CC2=C(C=CO2)N=C1 F10431 [1,0,0,1,0,0|1,0,1]=4 335 B10R2.7 C1=CC2=C(C=CS2)N=C1 T14110 [1,0,0,1,0,0|1,1,0]=4 336 B10R2.7 C1=CC2=C(C=N1)NC=C2 A2957 [1,0,0,1,0,0|2,0,0]=4 337 B10R2.7 C1=CC2=C(C=N1)OC=C2 F3036 [1,0,0,1,0,0|1,0,1]=4 338 B10R2.7 C1=CC2=C(C=N1)SC=C2 T3035 [1,0,0,1,0,0|1,1,0]=4 339 B10R2.7 C1=CC2=CC=NN2C=C1 P64401 [1,0,0,1,0,0|2,0,0]=4 340 B10R2.7 C1=CC2=CN=CN2C=C1 K62512 [1,0,0,1,0,0|2,0,0]=4 341 B10R2.7 C1=CC2=NC=CN2C=C1 I5954 [1,0,0,1,0,0|2,0,0]=4 342 B10R2.7 C1=CN2C=CN=CC2=C1 P38385 [1,0,0,1,0,0|2,0,0]=4 343 B10R2.7 C1=CN=C2C=CNC2=C1 A2958 [1,0,0,1,0,0|2,0,0]=4 344 B10R2.7 C1=CN=C2NC=CC2=C1 A4765 [1,0,0,1,0,0|2,0,0]=4 345 B10R2.7 C1=CN=C2SC=CC2=C1 T67796 [1,0,0,1,0,0|1,1,0]=4 346 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [1,0,0,1,0,0|0,0,1]=3 347 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B39635 [0,1,0,1,0,0|1,0,0]=3 348 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 B3879 [0,1,0,1,0,0|2,0,0]=4 349 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 B36929 [0,1,0,1,0,0|2,0,0]=4 350 B12R2.24 BrC1=CC2=CC=CN=C2C=C1 B4779 [0,1,0,1,0,0|1,0,0]=3 351 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 B3878 [0,1,0,1,0,0|2,0,0]=4 352 B12R2.24 BrC1=CC2=CC=NN=C2C=C1 B47542 [0,1,0,1,0,0|2,0,0]=4 353 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 B4922 [0,1,0,1,0,0|2,0,0]=4 354 B12R2.24 BrC1=CC2=CN=CC=C2N=C1 B21923 [0,1,0,1,0,0|2,0,0]=4 355 B12R2.24 BrC1=CC2=CN=CN=C2C=C1 B0036 [0,1,0,1,0,0|2,0,0]=4 356 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 B23905 [0,1,0,1,0,0|1,0,0]=3 357 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 B9209 [0,1,0,1,0,0|2,0,0]=4 358 B12R2.24 BrC1=CC2=NC=CN=C2C=C1 B2999 [0,1,0,1,0,0|2,0,0]=4 359 B12R2.24 BrC1=CC2=NC=NC=C2C=C1 B0037 [0,1,0,1,0,0|2,0,0]=4 360 B12R2.24 BrC1=CC2=NN=CC=C2C=C1 B47543 [0,1,0,1,0,0|2,0,0]=4 361 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 B1013 [0,1,0,1,0,0|1,0,0]=3 362 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 B47544 [0,1,0,1,0,0|2,0,0]=4 363 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 B47545 [0,1,0,1,0,0|2,0,0]=4 364 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 B47549 [0,1,0,1,0,0|2,0,0]=4 365 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [0,1,0,1,0,0|1,0,0]=3 366 B12R2.24 CC1=CC=C2N=CC=NC2=C1 M51337 [0,1,0,1,0,0|2,0,0]=4 367 B12R2.24 CC1=NC2=CC=CN=C2C=C1 M7647 [0,1,0,1,0,0|2,0,0]=4 368 B12R2.24 CC1=NC2=NC=CC=C2C=C1 M20466 [0,1,0,1,0,0|2,0,0]=4 369 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 C9355 [0,1,0,1,0,0|2,0,0]=4 370 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 C50850 [0,1,0,1,0,0|1,0,0]=3 371 B12R2.24 ClC1=CC2=CC=CC=C2N=N1 C47551 [0,1,0,1,0,0|2,0,0]=4 372 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 C50851 [0,1,0,1,0,0|1,0,0]=3 373 B12R2.24 ClC1=CC2=CC=CN=C2N=C1 C38369 [0,1,0,1,0,0|2,0,0]=4 374 B12R2.24 ClC1=CC2=CC=NC=C2C=C1 C9357 [0,1,0,1,0,0|2,0,0]=4 375 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 C9358 [0,1,0,1,0,0|2,0,0]=4 376 B12R2.24 ClC1=CC2=NC=CC=C2C=C1 C50852 [0,1,0,1,0,0|1,0,0]=3 377 B12R2.24 ClC1=CC2=NC=CN=C2C=C1 C64055 [0,1,0,1,0,0|2,0,0]=4 378 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 C36711 [0,1,0,1,0,0|2,0,0]=4 379 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 C19911 [0,1,0,1,0,0|2,0,0]=4 380 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 C13232 [0,1,0,1,0,0|2,0,0]=4 381 B12R2.24 ClC1=NC2=CC=NC=C2C=C1 C5441 [0,1,0,1,0,0|2,0,0]=4 382 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 N11169 [0,1,0,1,0,0|2,0,0]=4 383 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 C47553 [0,1,0,1,0,0|2,0,0]=4 384 B12R2.24 FC1=CC2=CC=CC=C2C=C1 F53501 [0,1,0,1,0,0|1,0,0]=3 385 B12R2.24 FC1=CC2=CC=CC=C2C=N1 F38996 [0,1,0,1,0,0|2,0,0]=4 386 B12R2.24 FC1=CC2=CC=CN=C2C=C1 F50853 [0,1,0,1,0,0|1,0,0]=3 387 B12R2.24 FC1=CC2=CN=CC=C2C=C1 F9904 [0,1,0,1,0,0|2,0,0]=4 388 B12R2.24 IC1=CC2=CC=CC=C2C=C1 I38722 [0,1,0,1,0,0|1,0,0]=3 389 B12R2.24 IC1=CC2=CC=CN=C2C=C1 K18700 [0,1,0,1,0,0|1,0,0]=3 390 B12R2.24 IC1=CC2=CN=CN=C2C=C1 K47566 [0,1,0,1,0,0|2,0,0]=4 391 B12R2.24 IC1=CC2=NC=CC=C2N=C1 K61674 [0,1,0,1,0,0|2,0,0]=4 392 B12R2.24 IC1=CC2=NC=CN=C2C=C1 K67816 [0,1,0,1,0,0|2,0,0]=4 393 B12R2.24 NC1=CC2=CC=CC=C2C=C1 N65553 [0,1,0,1,0,0|1,0,0]=3 394 B12R2.24 NC1=CC2=CC=CC=C2C=N1 Q51338 [0,1,0,1,0,0|2,0,0]=4 395 B12R2.24 NC1=CC2=CC=NC=C2N=C1 N64656 [0,1,0,1,0,0|2,0,0]=4 396 B12R2.24 NC1=CC=C2C=CC=NC2=C1 Q51336 [0,1,0,1,0,0|1,0,0]=3 397 B12R2.24 NC1=CC=C2C=CC=NC2=C1 Q52219 [0,1,0,1,0,0|1,0,0]=3 398 B12R2.24 NC1=CC=C2C=CN=CC2=C1 A3873 [0,1,0,1,0,0|2,0,0]=4 399 B12R2.24 NC1=CC=C2C=NC=CC2=C1 A3872 [0,1,0,1,0,0|2,0,0]=4 400 B12R2.24 NC1=CC=C2C=NC=NC2=C1 Q37330 [0,1,0,1,0,0|2,0,0]=4 401 B12R2.24 NC1=CC=C2N=CC=CC2=C1 A67851 [0,1,0,1,0,0|1,0,0]=3 402 B12R2.24 NC1=CC=C2N=CC=NC2=C1 Q24638 [0,1,0,1,0,0|2,0,0]=4 403 B12R2.24 NC1=NC2=CC=CC=C2C=C1 Q9616 [0,1,0,1,0,0|1,0,0]=3 404 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 N37672 [0,1,0,1,0,0|1,0,0]=3 405 B12R2.24 O=C1C=CC2=CC=CNC2=N1 N0688 [0,1,0,1,0,0|1,0,0]=3 406 B12R2.24 O=C1C=CC2=NC=CN=C2N1 P44867 [0,1,0,1,0,0|2,0,0]=4 407 B12R2.24 O=C1C=NC2=CC=CN=C2N1 P44866 [0,1,0,1,0,0|2,0,0]=4 408 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [0,1,0,1,0,0|1,0,1]=4 409 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,1,0,1,0,0|0,0,2]=4 410 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,1,0,1,0,0|1,0,1]=4 411 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [0,1,0,1,0,0|1,0,1]=4 412 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,1,0,1,0,0|1,0,1]=4 413 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [0,1,0,1,0,0|1,0,1]=4 414 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [0,1,0,1,0,0|1,0,0]=3 415 B12R2.24 OC1=CC2=CC=NC=C2C=C1 H3875 [0,1,0,1,0,0|1,0,1]=4 416 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Q3876 [0,1,0,1,0,0|1,0,1]=4 417 B12R2.24 OC1=CC2=NC=CC=C2C=C1 Q67940 [0,1,0,1,0,0|1,0,0]=3 418 B12R2.24 OC1=CC2=NC=CN=C2C=C1 Q38886 [0,1,0,1,0,0|2,0,0]=4 419 B12R2.24 [Mg+]C1=CC2=CC=CC=C2C=C1 N31715 [0,1,0,1,0,0|1,0,0]=3 420 B12R2.132 CC1=CC2=C(C=C1)COC2=O M51554 [0,1,0,1,0,0|1,0,1]=4 421 B12R2.132 CC1=CC2=C(C=C1)ONC2=O M48465 [0,1,0,1,0,0|2,0,0]=4 422 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 B15960 [0,1,0,1,0,0|2,0,0]=4 423 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 C12130 [0,1,0,1,0,0|2,0,0]=4 424 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 F4725 [0,1,0,1,0,0|2,0,0]=4 425 B12R2.132 CN1C=CC2=C1C=C(Br)C=C2 B51448 [0,1,0,1,0,0|2,0,0]=4 426 B12R2.132 CN1C=CC2=C1C=C(N)C=C2 M52056 [0,1,0,1,0,0|2,0,0]=4 427 B12R2.132 NC1=CC2=C(C=C1)CCC2=O A4485 [0,1,0,1,0,0|0,0,2]=4 428 B12R2.132 NC1=CC2=C(C=C1)CNC2=O A8073 [0,1,0,1,0,0|1,0,1]=4 429 B12R2.132 NC1=CC2=C(C=C1)COC2=O A12213 [0,1,0,1,0,0|1,0,1]=4 430 B12R2.132 NC1=CC2=C(C=C1)ONC2=O A45230 [0,1,0,1,0,0|2,0,0]=4 431 B12R2.132 NC1=CC2=C(C=C1)SC=C2Br B63806 [0,1,0,1,0,0|2,0,0]=4 432 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 B13141 [0,1,0,1,0,0|0,0,2]=4 433 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 C13148 [0,1,0,1,0,0|0,0,2]=4 434 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 F51322 [0,1,0,1,0,0|0,0,2]=4 435 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 D9500 [0,1,0,1,0,0|0,0,2]=4 436 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 H51556 [0,1,0,1,0,0|0,0,2]=4 437 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 B24181 [0,1,0,1,0,0|1,0,1]=4 438 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 B14059 [0,1,0,1,0,0|1,0,1]=4 439 B12R2.132 O=C1NCC2=C1C=C(Cl)C=C2 C48084 [0,1,0,1,0,0|1,0,1]=4 440 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 F48098 [0,1,0,1,0,0|1,0,1]=4 441 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 H38857 [0,1,0,1,0,0|1,0,1]=4 442 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 B44449 [0,1,0,1,0,0|2,0,0]=4 443 B12R2.132 O=C1NSC2=C1C=C(Br)C=C2 B61796 [0,1,0,1,0,0|2,0,0]=4 444 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 B12788 [0,1,0,1,0,0|1,0,1]=4 445 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 F47784 [0,1,0,1,0,0|1,0,1]=4 446 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 I12214 [0,1,0,1,0,0|1,0,1]=4 447 B12R2.2 C1=CC(C2=CSC=C2)=CC=N1 T51247 [0,1,0,1,0,0|1,1,0]=4 448 B12R2.2 C1=CC(C2=NNC=C2)=CC=N1 P61606 [0,1,0,1,0,0|2,0,0]=4 449 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 P38157 [0,1,0,1,0,0|1,0,0]=3 450 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 P53834 [0,1,0,1,0,0|0,1,0]=3 451 B12R2.2 C1=CC=C(C2=CC=NN2)C=C1 P22610 [0,1,0,1,0,0|1,0,0]=3 452 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 P68097 [0,1,0,1,0,0|0,0,1]=3 453 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 P51246 [0,1,0,1,0,0|0,1,0]=3 454 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 P68881 [0,1,0,1,0,0|1,0,0]=3 455 B12R2.2 C1=CC=C(C2=CNN=C2)C=C1 P16046 [0,1,0,1,0,0|2,0,0]=4 456 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 P51158 [0,1,0,1,0,0|1,0,0]=3 457 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 P24827 [0,1,0,1,0,0|1,0,0]=3 458 B12R2.2 C1=CC=C(C2=NC=CS2)C=C1 P51245 [0,1,0,1,0,0|0,1,0]=3 459 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 P51335 [0,1,0,1,0,0|1,0,0]=3 460 B12R2.2 C1=CC=C(N2C=CN=C2)C=C1 P67670 [0,1,0,1,0,0|2,0,0]=4 461 B12R2.2 C1=CC=C(N2C=NC=N2)C=C1 P48387 [0,1,0,1,0,0|2,0,0]=4 462 B12R2.2 C1=CN=C(C2=CC=CS2)C=C1 T68559 [0,1,0,1,0,0|1,1,0]=4 463 B12R2.2 C1=CN=C(C2=NC=CN2)C=C1 P68096 [0,1,0,1,0,0|2,0,0]=4 464 B12R2.2 C1=CN=C(C2=NNC=C2)C=C1 P9922 [0,1,0,1,0,0|2,0,0]=4 465 B12R2.2 C1=CN=CC(C2=CN=CN2)=C1 K69498 [0,1,0,1,0,0|2,0,0]=4 466 B12R2.2 C1=CN=CC(C2=NC=CN2)=C1 K63708 [0,1,0,1,0,0|2,0,0]=4 467 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,1,0,1,0,0|0,0,2]=4 468 B12R2.1081 BrC1=CC=CC2=CC=CN=C12 B2763 [0,1,0,1,0,0|1,0,0]=3 469 B12R2.1081 BrC1=CC=CC2=CC=NC=C12 B3603 [0,1,0,1,0,0|2,0,0]=4 470 B12R2.1081 BrC1=CC=CC2=CN=CC=C12 B3363 [0,1,0,1,0,0|2,0,0]=4 471 B12R2.1081 BrC1=CC=CC2=CN=CN=C12 B69697 [0,1,0,1,0,0|2,0,0]=4 472 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 B1008 [0,1,0,1,0,0|1,0,0]=3 473 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 B50848 [0,1,0,1,0,0|1,0,0]=3 474 B12R2.1081 BrC1=CC=CC2=NC=CN=C12 B47548 [0,1,0,1,0,0|2,0,0]=4 475 B12R2.1081 BrC1=CC=CC2=NC=NC=C12 B0470 [0,1,0,1,0,0|2,0,0]=4 476 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 B9367 [0,1,0,1,0,0|1,0,0]=3 477 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 B4634 [0,1,0,1,0,0|1,0,0]=3 478 B12R2.1081 BrC1=CN=CC2=CC=CN=C12 B10585 [0,1,0,1,0,0|2,0,0]=4 479 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 B9353 [0,1,0,1,0,0|1,0,0]=3 480 B12R2.1081 BrC1=NC=CC2=CN=CC=C21 B39121 [0,1,0,1,0,0|2,0,0]=4 481 B12R2.1081 BrC1=NC=NC2=CC=CC=C21 B47546 [0,1,0,1,0,0|2,0,0]=4 482 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 M53836 [0,1,0,1,0,0|1,0,0]=3 483 B12R2.1081 CC1=C2N=CC=NC2=CC=C1 M4609 [0,1,0,1,0,0|2,0,0]=4 484 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 C3889 [0,1,0,1,0,0|2,0,0]=4 485 B12R2.1081 ClC1=CC=CC2=CN=CC=C12 C1031 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.1081 ClC1=CC=CC2=NC=CC=C12 C24659 [0,1,0,1,0,0|1,0,0]=3 487 B12R2.1081 ClC1=CC=CC2=NC=CN=C12 C38231 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.1081 ClC1=CC=CC2=NC=NC=C12 C47552 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 C24521 [0,1,0,1,0,0|1,0,0]=3 490 B12R2.1081 ClC1=CC=NC2=CC=CN=C12 C25313 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.1081 ClC1=CC=NC2=CC=NC=C12 C7661 [0,1,0,1,0,0|2,0,0]=4 492 B12R2.1081 ClC1=CC=NC2=CN=CC=C12 C1826 [0,1,0,1,0,0|2,0,0]=4 493 B12R2.1081 ClC1=CC=NC2=NC=CC=C12 C10705 [0,1,0,1,0,0|2,0,0]=4 494 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 C9356 [0,1,0,1,0,0|1,0,0]=3 495 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 C9354 [0,1,0,1,0,0|1,0,0]=3 496 B12R2.1081 ClC1=NC=CC2=CC=NC=C21 C0386 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.1081 ClC1=NC=CC2=NC=CC=C12 C7891 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.1081 ClC1=NC=NC2=CC=CC=C21 C24048 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.1081 FC1=CC=CC2=CC=CC=C12 F60518 [0,1,0,1,0,0|1,0,0]=3 500 B12R2.1081 FC1=CC=CC2=CC=CN=C12 F0856 [0,1,0,1,0,0|1,0,0]=3 501 B12R2.1081 FC1=CC=CC2=CN=CN=C12 F47556 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.1081 FC1=CC=CC2=NC=CN=C12 F47555 [0,1,0,1,0,0|2,0,0]=4 503 B12R2.1081 FC1=CC=CC2=NC=NC=C12 F47554 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.1081 FC1=CN=CC2=CC=CC=C12 F49695 [0,1,0,1,0,0|1,0,0]=3 505 B12R2.1081 FC1=CN=CC2=CC=CC=C12 F9905 [0,1,0,1,0,0|1,0,0]=3 506 B12R2.1081 IC1=CC=CC2=CC=CC=C12 K53502 [0,1,0,1,0,0|1,0,0]=3 507 B12R2.1081 IC1=CC=CC2=CC=CN=C12 I3662 [0,1,0,1,0,0|1,0,0]=3 508 B12R2.1081 IC1=CC=CC2=CN=CC=C12 K9902 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.1081 IC1=CC=NC2=CC=CC=C12 K61455 [0,1,0,1,0,0|1,0,0]=3 510 B12R2.1081 IC1=CN=CC2=CC=CC=C12 K50860 [0,1,0,1,0,0|1,0,0]=3 511 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 A3294 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 A1029 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 Q24367 [0,1,0,1,0,0|1,0,0]=3 514 B12R2.1081 NC1=C2N=CN=CC2=CC=C1 Q32354 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.1081 NC1=CC=CC2=C1C=CCO2 C51750 [0,1,0,1,0,0|0,0,2]=4 516 B12R2.1081 NC1=CC=NC2=CC=CC=C12 A38636 [0,1,0,1,0,0|1,0,0]=3 517 B12R2.1081 NC1=CN=CC2=CC=CC=C12 A3871 [0,1,0,1,0,0|1,0,0]=3 518 B12R2.1081 NC1=CN=NC2=CC=CC=C12 A64403 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.1081 NC1=NC=CC2=CC=CC=C21 I38093 [0,1,0,1,0,0|1,0,0]=3 520 B12R2.1081 NC1=NC=CC2=CC=CN=C21 N63090 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.1081 NC1=NC=CC2=CC=NC=C21 N48386 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.1081 NC1=NC=CC2=NC=CC=C12 N48385 [0,1,0,1,0,0|2,0,0]=4 523 B12R2.1081 O=C1C=CNC2=C1C=CN=C2 N15554 [0,1,0,1,0,0|1,0,0]=3 524 B12R2.1081 O=C1C=COC2=C1C=CC=C2 C38489 [0,1,0,1,0,0|0,0,0]=2 525 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 C4719 [0,1,0,1,0,0|1,0,0]=3 526 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [0,1,0,1,0,0|0,0,2]=4 527 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [0,1,0,1,0,0|0,0,2]=4 528 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [0,1,0,1,0,0|0,0,2]=4 529 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [0,1,0,1,0,0|0,0,2]=4 530 B12R2.1081 O=C1N=CNC2=CC=CN=C12 P23364 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.1081 O=C1NC=CC2=C1C=CC=N2 N14009 [0,1,0,1,0,0|1,0,0]=3 532 B12R2.1081 O=C1NC=CC2=C1C=NC=C2 N0385 [0,1,0,1,0,0|1,0,0]=3 533 B12R2.1081 O=C1NC=CC2=CC=CN=C12 N47869 [0,1,0,1,0,0|1,0,0]=3 534 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 H10800 [0,1,0,1,0,0|1,0,0]=3 535 B12R2.1081 O=C1NC=NC2=C1C=CC=N2 P0412 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.1081 O=C1NC=NC2=C1C=CN=C2 P44869 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.1081 O=C1NC=NC2=C1C=NC=C2 P10355 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [0,1,0,1,0,0|0,0,2]=4 539 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [0,1,0,1,0,0|0,0,2]=4 540 B12R2.1081 OC1=CC=CC2=CC=NC=C12 Q3877 [0,1,0,1,0,0|1,0,1]=4 541 B12R2.1081 OC1=CC=CC2=CN=CC=C12 H51161 [0,1,0,1,0,0|1,0,1]=4 542 B12R2.1081 OC1=CC=CC2=CN=CN=C12 Q47864 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.1081 OC1=CC=CC2=NC=CC=C12 H4784 [0,1,0,1,0,0|1,0,0]=3 544 B12R2.1081 OC1=CC=CC2=NC=CN=C12 Q47865 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.1081 OC1=CC=NC2=CC=CN=C12 N47867 [0,1,0,1,0,0|1,0,1]=4 546 B12R2.1081 OC1=CN=CC2=CC=CC=C12 H6069 [0,1,0,1,0,0|0,0,1]=3 547 B12R2.1081 OC1=CN=NC2=CC=CC=C12 C47863 [0,1,0,1,0,0|1,0,1]=4 548 B12R2.1081 OC1=NC=CC2=CC=CC=C21 H38444 [0,1,0,1,0,0|0,0,1]=3 549 B12R2.1081 [Mg+]C1=CC=CC2=CC=CC=C12 N31714 [0,1,0,1,0,0|1,0,0]=3 550 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 D52502 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 A48795 [0,1,0,1,0,0|1,0,1]=4 553 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 I36660 [0,1,0,1,0,0|0,0,1]=3 554 B12R2.2028 O=C1NC(=O)C2=NC=CC=C12 P67808 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 P15540 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 P15539 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 B47761 [0,1,0,1,0,0|1,0,1]=4 558 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [0,1,0,1,0,0|1,0,1]=4 559 B12R2.2028 O=C1O[IH2](Cl)C2=C1C=CC=C2 C15861 [0,1,0,1,0,0|2,0,0]=4 560 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 H31866 [0,1,0,1,0,0|2,0,0]=4 561 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 P60753 [0,1,0,1,0,0|1,0,0]=3 562 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 E52501 [0,1,0,1,0,0|1,0,1]=4 563 B12R2.32 N#CC1=CC2=C(C=CC=C2)N1 K50792 [0,1,0,1,0,0|1,0,1]=4 564 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 B50747 [0,1,0,1,0,0|1,0,1]=4 565 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 B50760 [0,1,0,1,0,0|1,0,1]=4 566 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 K22314 [0,1,0,1,0,0|1,0,1]=4 567 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [0,1,0,1,0,0|0,0,0]=2 568 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [0,1,0,1,0,0|0,0,0]=2 569 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [0,1,0,1,0,0|0,0,0]=2 570 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 F10728 [0,1,0,1,0,0|1,0,0]=3 571 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 P24641 [0,1,0,1,0,0|1,0,0]=3 572 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 P1530 [0,1,0,1,0,0|1,0,0]=3 573 B12R2.32 O=CC1=CC2=CC=CN=C2S1 T47760 [0,1,0,1,0,0|1,0,0]=3 574 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [0,1,0,1,0,0|1,0,0]=3 575 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B9216 [0,1,0,1,0,0|1,0,0]=3 576 B12R2.32 O=CC1=NN2C=CC=CC2=N1 T44871 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 M9932 [0,1,0,1,0,0|0,0,2]=4 578 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 B51662 [0,1,0,1,0,0|0,0,2]=4 579 B12R2.196 CC1=CC=CC2=C1CCC2=O M52415 [0,1,0,1,0,0|0,0,2]=4 580 B12R2.196 CC1=CC=CC2=C1ONC2=O M60993 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.196 CC1=CNC2=C(N)C=CC=C12 M16465 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 B10874 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.196 CN1C=CC2=C(O)C=CC=C21 M60832 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.196 NC1=CC=CC2=C1CCC2=O A3795 [0,1,0,1,0,0|0,0,2]=4 585 B12R2.196 NC1=CC=CC2=C1CNC2=O A14682 [0,1,0,1,0,0|1,0,1]=4 586 B12R2.196 NC1=CC=CC2=C1COC2=O A36802 [0,1,0,1,0,0|1,0,1]=4 587 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 I0551 [0,1,0,1,0,0|0,0,2]=4 588 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 C0554 [0,1,0,1,0,0|0,0,2]=4 589 B12R2.196 O=C1CCC2=C(F)C=CC=C12 F51325 [0,1,0,1,0,0|0,0,2]=4 590 B12R2.196 O=C1CCC2=C1C=CC=C2O H38442 [0,1,0,1,0,0|0,0,2]=4 591 B12R2.196 O=C1COC2=C(Br)C=CC=C12 B47766 [0,1,0,1,0,0|1,0,1]=4 592 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 B14058 [0,1,0,1,0,0|1,0,1]=4 593 B12R2.196 O=C1NCC2=C1C=CC=C2O H48467 [0,1,0,1,0,0|1,0,1]=4 594 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 B47767 [0,1,0,1,0,0|1,0,1]=4 595 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 M52416 [0,1,0,1,0,0|0,0,2]=4 596 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 M25969 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 B23812 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.203 ClC1=C2C(Br)=CNC2=CC=C1 B37689 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 A14681 [0,1,0,1,0,0|1,0,1]=4 600 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 B64882 [0,1,0,1,0,0|0,0,2]=4 601 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 C51316 [0,1,0,1,0,0|0,0,2]=4 602 B12R2.203 O=C1CCC2=CC=CC(F)=C12 F51324 [0,1,0,1,0,0|0,0,2]=4 603 B12R2.203 O=C1CCC2=CC=CC(O)=C12 H51557 [0,1,0,1,0,0|0,0,2]=4 604 B12R2.203 O=C1COC2=CC=CC(F)=C12 F63171 [0,1,0,1,0,0|1,0,1]=4 605 B12R2.203 O=C1NCC2=CC=CC(Br)=C12 B22172 [0,1,0,1,0,0|1,0,1]=4 606 B12R2.203 O=C1NOC2=CC=CC(F)=C12 F44454 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.203 O=C1OCC2=CC=CC(Br)=C12 B37589 [0,1,0,1,0,0|1,0,1]=4 608 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M52405 [0,1,0,1,0,0|0,0,2]=4 609 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 M48466 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 M51553 [0,1,0,1,0,0|1,0,1]=4 611 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 M25577 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 B51447 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 M16073 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 M37572 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.612 CN1C=CC2=C1C=CC([Mg+])=C2 M8400 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 A3834 [0,1,0,1,0,0|0,0,2]=4 617 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 A0622 [0,1,0,1,0,0|1,0,1]=4 618 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 A48453 [0,1,0,1,0,0|1,0,1]=4 619 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B23186 [0,1,0,1,0,0|0,0,2]=4 620 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C39570 [0,1,0,1,0,0|0,0,2]=4 621 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F51326 [0,1,0,1,0,0|0,0,2]=4 622 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 D9498 [0,1,0,1,0,0|0,0,2]=4 623 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 H38546 [0,1,0,1,0,0|0,0,2]=4 624 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 B47765 [0,1,0,1,0,0|1,0,1]=4 625 B12R2.612 O=C1COC2=C1C=CC(O)=C2 H48209 [0,1,0,1,0,0|1,0,1]=4 626 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 B14060 [0,1,0,1,0,0|1,0,1]=4 627 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 C38770 [0,1,0,1,0,0|1,0,1]=4 628 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 F48097 [0,1,0,1,0,0|1,0,1]=4 629 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 H36793 [0,1,0,1,0,0|1,0,1]=4 630 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 F44842 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.612 O=C1NOC2=C1C=CC(Br)=C2 B38875 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.612 O=C1NOC2=C1C=CC(Cl)=C2 C62237 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 F44455 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.612 O=C1NSC2=C1C=CC(F)=C2 F44556 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 B47768 [0,1,0,1,0,0|1,0,1]=4 636 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 C47780 [0,1,0,1,0,0|1,0,1]=4 637 B12R2.612 O=C1OCC2=C1C=CC(F)=C2 F47783 [0,1,0,1,0,0|1,0,1]=4 638 B12R2.612 O=C1OCC2=C1C=CC(O)=C2 H60961 [0,1,0,1,0,0|1,0,1]=4 639 B12R2.1 ClCC1=COC2=C1C=CC=C2 C51318 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.1 N#CC1=CSC2=C1C=CC=C2 B50761 [0,1,0,1,0,0|1,0,1]=4 641 B12R2.1 NCC1=CNC2=C1C=CC=C2 K22443 [0,1,0,1,0,0|1,0,1]=4 642 B12R2.1 O=CC1=C2C=CC=CN2C=C1 K61492 [0,1,0,1,0,0|1,0,0]=3 643 B12R2.1 O=CC1=C2C=CC=CN2C=N1 K47871 [0,1,0,1,0,0|1,0,0]=3 644 B12R2.1 O=CC1=CN=C2C=CC=CN12 I3368 [0,1,0,1,0,0|1,0,0]=3 645 B12R2.1 O=CC1=CN=C2N=CC=CN12 K61863 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.1 O=CC1=CNC2=C1C=CC=N2 P0802 [0,1,0,1,0,0|1,0,0]=3 647 B12R2.1 O=CC1=CNC2=C1C=CN=C2 P47872 [0,1,0,1,0,0|1,0,0]=3 648 B12R2.1 O=CC1=CNC2=C1C=NC=C2 P26608 [0,1,0,1,0,0|1,0,0]=3 649 B12R2.1 O=CC1=CNC2=C1C=NC=N2 P13850 [0,1,0,1,0,0|2,0,0]=4 650 B12R2.1 O=CC1=CNC2=CC=CN=C12 P22788 [0,1,0,1,0,0|1,0,0]=3 651 B12R2.1 O=CC1=CNC2=NC=CN=C12 P10335 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.1 O=CC1=COC2=C1C=CC=C2 B23789 [0,1,0,1,0,0|0,0,0]=2 653 B12R2.1 O=CC1=CSC2=C1C=CC=C2 B67477 [0,1,0,1,0,0|0,0,0]=2 654 B12R2.1 O=CC1=NC=C2C=CC=CN21 K61874 [0,1,0,1,0,0|1,0,0]=3 655 B12R2.1 O=CC1=NNC2=C1C=CC=C2 K9332 [0,1,0,1,0,0|1,0,0]=3 656 B12R2.1 O=CC1=NNC2=C1C=CC=N2 P10434 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.1 OCC1=CNC2=C1C=CC=C2 I4626 [0,1,0,1,0,0|0,0,2]=4 658 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,1,0,1,0,0|0,0,2]=4 659 B12R2.18 BrC1=C(Br)C2=C(C=CC=C2)S1 D47321 [0,1,0,1,0,0|2,0,0]=4 660 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 B62060 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 B37673 [0,1,0,1,0,0|2,0,0]=4 662 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [0,1,0,1,0,0|2,0,0]=4 664 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 M38994 [0,1,0,1,0,0|2,0,0]=4 665 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,1,0,1,0,0|0,0,2]=4 666 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O P9936 [0,1,0,1,0,0|2,0,0]=4 667 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 B62427 [0,1,0,1,0,0|1,0,0]=3