0 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,0,0|1,0,1]=2 19 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,0,0,0,0,0|1,0,1]=2 20 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,0,0|1,0,1]=2 21 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,0,0,0,0,0|1,1,1]=4 37 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,0,0,0,0|1,1,1]=4 38 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,0,0,0,0|1,1,1]=4 39 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,1,0,0,0,0|2,1,0]=4 58 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,1,0,0,0,0|1,1,0]=3 66 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,1,0,0,0,0|2,1,0]=4 67 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,1,0,0,0,0|2,1,0]=4 68 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,1,0,0,0,0|0,1,0]=2 69 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [0,1,0,0,0,0|2,1,0]=4 73 B11R1.20 S=C(Cl)SC1=CC=C(C=C1)Cl PH007816 [0,1,0,0,0,0|2,1,0]=4 74 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,0,0,0,0|1,0,1]=3 86 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,0,0|0,0,0]=1 93 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,0,0|0,0,0]=1 94 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,1,0,0,0,0|2,1,0]=4 103 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.40 COC(=O)C[N+]1=CC=CN=C1 S225894 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,1,0,0,0,0|2,1,0]=4 112 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,1,0,0,0,0|1,2,0]=4 113 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,0,0,0,0|0,0,0]=1 119 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,1,0,0,0,0|0,0,0]=1 149 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.86 O=C(O)CN1C=CC=NC1=O CBR00231 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.157 CC1=CC(=NC=C1)CC(C)O PH015436 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.157 CC1=CC=CC(=N1)CC(C)O PH015426 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,1,0,0,0,0|2,1,0]=4 167 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,1,0,0,0,0|0,0,1]=2 168 B11R1.157 O=C([O-])C[N+]1=CC=CC(=C1)O PH007028 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.509 FC(F)(F)CC1=CC=CC=C1 MNO000048 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 PH008054 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CDS010546 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.509 O=S(=O)(Cl)CC1=CC=CN=C1 CDS010417 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.509 O=S(=O)(Cl)CC1=CC=NC=C1 CDS007189 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 S808962 [0,1,0,0,0,0|1,0,1]=3 181 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,0,1,0,0,0|0,0,2]=3 182 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,0,0,1,0,0|1,0,1]=3 184 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,0,0,1,0,0|3,0,0]=4 185 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,1,0,0|3,0,0]=4 186 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,0,0,1,0,0|2,0,0]=3 187 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,1,0,0|1,1,0]=3 188 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,1,0,0|1,1,0]=3 189 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,0,0,1,0,0|1,1,0]=3 190 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,0,0,1,0,0|1,1,1]=4 191 B11R2.10 [C@H]12C=CC=C[C@H]1CC(=O)C2 T183474 [0,0,0,1,0,0|1,0,2]=4 192 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,0,0,1,0,0|1,2,0]=4 193 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,0,0,0,1,0|1,1,1]=4 194 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,0,0,0,1,0|3,0,0]=4 195 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,0,0,0,1,0|3,0,0]=4 196 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,0,0,0,1,0|2,0,1]=4 197 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,0,0,0,1,0|2,0,0]=3 198 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [0,0,0,0,1,0|3,0,0]=4 199 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,0,0,0,1,0|2,0,0]=3 200 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,0,0,1,0|1,0,0]=2 201 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,0,0,1,0|1,0,0]=2 202 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,0,0,0,1,0|2,0,0]=3 203 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [0,0,0,0,1,0|0,0,2]=3 204 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,1,0|0,0,1]=2 205 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,0,0,1,0|1,0,0]=2 206 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [0,0,0,0,1,0|2,0,1]=4 207 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [0,0,0,0,1,0|2,0,1]=4 208 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,0,0,0,1,0|2,0,0]=3 209 B9R1.13 CC(=O)CN1C=CC=N1 CBR00875 [0,0,0,0,1,0|3,0,0]=4 210 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [0,0,0,0,1,0|3,0,0]=4 211 B9R1.13 CC(O)CC1=CC=CS1 S365017 [0,0,0,0,1,0|2,0,1]=4 212 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,0,0,0,1,0|2,0,0]=3 213 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [0,0,0,0,1,0|1,0,0]=2 214 B9R1.13 O=C(O)CC1=CSC=N1 CDS019681 [0,0,0,0,1,0|2,0,0]=3 215 B9R1.13 O=C(O)CC1=CSC=N1 OTV000637 [0,0,0,0,1,0|2,0,0]=3 216 B9R1.13 O=C(O)CC1=NC=CS1 CDS019262 [0,0,0,0,1,0|2,0,0]=3 217 B9R1.13 O=C(O)CN1C=CN=C1 CDS000415 [0,0,0,0,1,0|2,0,0]=3 218 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,0,0,0,1|0,0,2]=3 219 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [0,0,0,0,0,1|1,0,2]=4 220 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,0,0,0,1|2,0,0]=3 221 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,0,0,0,1|2,0,0]=3 222 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,0,0,0,0,1|2,0,0]=3 223 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,0,0,0,0,1|2,0,0]=3 224 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,0,1|1,0,0]=2 225 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,0,0,0,1|2,0,0]=3 226 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,0,0,0,1|2,0,0]=3 227 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,0,0,0,0,1|2,0,1]=4 228 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,0,0,0,0,1|2,0,1]=4 229 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,0,0,0,0,1|2,0,1]=4 230 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,0,0,0,0,1|2,0,1]=4 231 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,0,0,0,0,1|2,0,1]=4 232 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,0,0,0,0,1|2,0,1]=4 233 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,0,0,0,0,1|3,0,0]=4 234 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [0,0,0,0,0,1|3,0,0]=4 235 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,0,0,0,0,1|3,0,0]=4 236 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,0,0,0,0,1|3,0,0]=4 237 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,0,0,0,0,1|2,0,0]=3 238 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,0,0,0,0,1|2,0,0]=3 239 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,0,0,0,0,1|2,0,1]=4 240 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,0,0,0,0,1|2,0,0]=3 241 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,0,1|1,0,0]=2 242 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,0,1|1,0,0]=2 243 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,0,0,0,0,1|2,0,0]=3 244 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,0,0,0,0,1|1,1,0]=3 245 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,0,0,0,0,1|1,1,0]=3 246 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,0,0,0,0,1|2,0,0]=3 247 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,0,0,0,1|0,0,1]=2 248 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,0,0,0,1|1,0,1]=3 249 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,0,0,0,0,1|1,0,1]=3 250 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,0,0,0,0,1|1,0,0]=2 251 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [0,0,0,0,0,1|2,0,0]=3 252 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [0,0,0,0,0,1|2,0,0]=3 253 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,0,0,0,0,1|1,0,0]=2 254 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,0,0,0,0,1|1,0,0]=2 255 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,0,0,0,1|0,0,2]=3 256 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,0,0,0,1|0,0,2]=3 257 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,0,0,0,0,1|0,0,2]=3 258 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,0,1|0,0,1]=2 259 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,0,1|0,0,1]=2 260 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,0,0,0,0,1|1,0,0]=2 261 B11R1.91 OB(O)O[Hg]C1=CC=CC=C1 S366137 [0,0,0,0,0,1|2,0,1]=4 262 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [1,0,1,0,0,0|0,0,1]=3 263 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 C1(C=CCC=C1)CO T175528 [2,0,0,0,0,0|0,0,2]=4 266 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,1]=3 267 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,1]=3 268 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,1]=3 269 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,0]=3 271 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.2 OCC1=CC=CN=N1 CDS015970 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.4 C=CCN1C=CC=CC1=O T161047 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.4 O=C1C=CC=CN1CCO T161284 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|0,0,0]=2 311 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|0,0,0]=2 313 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|0,0,0]=2 324 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|0,0,1]=3 336 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.17 COCCC1=CC=NC=C1 PH007374 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,1,0,0,0,0|0,1,1]=4 348 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,1,0,0,1,0|2,0,0]=4 352 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,1,0,0,1,0|2,0,0]=4 353 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,1,0,0,1,0|2,0,0]=4 354 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,1,0,0,1,0|2,0,0]=4 355 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,1,0,0,1,0|2,0,0]=4 356 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,1,0,0,1,0|1,0,0]=3 357 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,1,0,0,1,0|1,0,0]=3 358 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [0,1,0,0,1,0|2,0,0]=4 359 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [0,1,0,0,1,0|2,0,0]=4 360 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [0,1,0,0,1,0|0,0,2]=4 361 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,1,0,0,1,0|1,0,0]=3 362 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [0,1,0,0,1,0|2,0,0]=4 363 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,1,0,0,1,0|2,0,0]=4 364 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,1,0,0,1,0|2,0,0]=4 365 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,1,0,0,1,0|2,0,0]=4 366 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,1,0,0,1,0|2,0,0]=4 367 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,1,0,0,1,0|2,0,0]=4 368 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,1,0,0,1,0|2,0,0]=4 369 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,1,0,0,1,0|1,1,0]=4 370 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,1,0,0,1,0|0,0,0]=2 371 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,1,0,0,1,0|0,0,1]=3 372 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,1,0,0,1,0|1,0,0]=3 373 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,1,0,0,1,0|1,0,0]=3 374 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [0,1,0,0,1,0|2,0,0]=4 375 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [0,1,0,0,1,0|2,0,0]=4 376 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,1,0,0,1,0|0,0,1]=3 377 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [0,1,0,0,1,0|2,0,0]=4 378 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,1,0,0,1,0|1,0,1]=4 379 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,1,0,0,1,0|1,0,1]=4 380 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [0,1,0,0,1,0|1,0,1]=4 381 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [0,1,0,0,1,0|1,0,1]=4 382 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,0,0,1,0|2,0,0]=4 383 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,1,0,0,1,0|1,0,1]=4 384 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,1,0,0,1,0|1,1,0]=4 385 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,1,0,0,1,0|2,0,0]=4 386 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,1,0,0,1,0|1,0,0]=3 387 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,1,0,0,1,0|2,0,0]=4 388 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [0,1,0,0,1,0|2,0,0]=4 389 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,1,0,0,1,0|2,0,0]=4 390 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,1,0,0,1,0|2,0,0]=4 391 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,1,0,0,1,0|2,0,0]=4 392 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,1,0,0,1,0|1,0,0]=3 393 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [0,1,0,0,1,0|2,0,0]=4 394 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [0,1,0,0,1,0|2,0,0]=4 395 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,1,0,0,1,0|0,0,0]=2 396 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,1,0,0,1,0|0,0,0]=2 397 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,1,0,0,1,0|1,0,0]=3 398 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,1,0,0,1,0|1,0,0]=3 399 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [0,1,0,0,1,0|2,0,0]=4 400 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,1,0,0,1,0|0,0,1]=3 401 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,1,0,0,1,0|1,0,1]=4 402 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,1,0,0,1,0|1,0,1]=4 403 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,1,0,0,1,0|1,0,1]=4 404 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,1,0,0,1,0|1,0,1]=4 405 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,1,0,0,1,0|0,2,0]=4 406 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,1,0,0,1,0|2,0,0]=4 407 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,1,0,0,1,0|2,0,0]=4 408 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,1,0,0,1,0|2,0,0]=4 409 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,1,0,0,1,0|1,1,0]=4 410 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,1,0,0,1,0|2,0,0]=4 411 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,1,0,0,1,0|1,0,0]=3 412 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,1,0,0,1,0|1,0,0]=3 413 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,1,0,0,1,0|2,0,0]=4 414 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,1,0,0,1,0|2,0,0]=4 415 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,1,0,0,1,0|2,0,0]=4 416 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,1,0,0,1,0|2,0,0]=4 417 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,1,0,0,1,0|1,0,0]=3 418 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,1,0,0,1,0|1,0,0]=3 419 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,1,0,0,1,0|2,0,0]=4 420 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,1,0,0,1,0|2,0,0]=4 422 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,1,0,0,1,0|1,0,1]=4 423 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,1,0,0,1,0|1,0,0]=3 424 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,1,0,0,1,0|1,0,0]=3 425 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,1,0,0,1,0|1,0,0]=3 426 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,1,0,0,1,0|1,0,0]=3 427 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,1,0,0,1,0|1,0,0]=3 428 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [0,1,0,0,1,0|2,0,0]=4 429 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [0,1,0,0,1,0|2,0,0]=4 430 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,1,0,0,1,0|1,0,0]=3 431 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,1,0,0,1,0|1,0,0]=3 432 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,1,0,0,1,0|1,0,0]=3 433 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,1,0,0,1,0|1,0,0]=3 434 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,1,0,0,1,0|1,0,0]=3 435 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,1,0,0,1,0|1,0,1]=4 436 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [0,1,0,0,1,0|2,0,0]=4 437 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,1,0,0,1,0|1,0,0]=3 438 B10R1.27 N/C(=N\O)/CC1=CC=CS1 BOG00085 [0,1,0,0,1,0|2,0,0]=4 439 B10R1.27 NNC(=O)CC1=CSC=C1 CDS014395 [0,1,0,0,1,0|2,0,0]=4 440 B10R1.54 CC1=CN(N=C1)CC(=O)O CBR02380 [0,1,0,0,1,0|2,0,0]=4 441 B10R1.54 O=C(O)CC1=CSC(=N1)S L481327 [0,1,0,0,1,0|2,0,0]=4 442 B10R1.54 O=C(O)CC1=NC(=CS1)Cl PHB00307 [0,1,0,0,1,0|2,0,0]=4 443 B10R1.64 CN1C=NC=C1CC(=O)O CDS024600 [0,1,0,0,1,0|2,0,0]=4 444 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,1,0,0,0,1|2,0,0]=4 445 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [0,1,0,0,0,1|1,0,1]=4 446 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [0,1,0,0,0,1|1,0,1]=4 447 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,1,0,0,0,1|1,0,1]=4 448 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,1,0,0,0,1|1,0,0]=3 449 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,1,0,0,0,1|1,0,0]=3 450 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,1,0,0,0,1|1,0,0]=3 451 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,1,0,0,0,1|1,0,1]=4 452 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,1,0,0,0,1|1,0,0]=3 453 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [0,1,0,0,0,1|1,0,1]=4 454 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,1,0,0,0,1|0,0,0]=2 455 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)N S343307 [0,1,0,0,0,1|2,0,0]=4 456 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [0,1,0,0,0,1|1,0,0]=3 457 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br CBR01126 [0,1,0,0,0,1|2,0,0]=4 458 B12R1.21 N=C(N)COC1=CC=C(C=C1)F PH015367 [0,1,0,0,0,1|2,0,0]=4 459 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl PH012544 [0,1,0,0,0,1|2,0,0]=4 460 B12R1.21 N=C(N)SCC1=CC=C(C=C1)F T165948 [0,1,0,0,0,1|2,0,0]=4 461 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [0,1,0,0,0,1|1,0,1]=4 462 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,1,0,0,0,1|1,0,0]=3 463 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,1,0,0,0,1|1,0,0]=3 464 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,1,0,0,0,1|1,0,0]=3 465 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,1,0,0,0,1|1,0,0]=3 466 B12R1.21 NC(=[S+]CC1=CC=C(C=C1)Cl)N R278254 [0,1,0,0,0,1|2,0,0]=4 467 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [0,1,0,0,0,1|0,0,1]=3 468 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,1,0,0,0,1|0,0,0]=2 469 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [0,1,0,0,0,1|1,0,1]=4 470 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,1,0,0,0,1|1,0,1]=4 471 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,1,0,0,0,1|1,0,0]=3 472 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,1,0,0,0,1|2,0,0]=4 473 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,1,0,0,0,1|2,0,0]=4 474 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [0,1,0,0,0,1|2,0,0]=4 475 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,1,0,0,0,1|1,1,0]=4 476 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,1,0,0,0,1|1,0,1]=4 477 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,1,0,0,0,1|0,0,0]=2 478 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,1,0,0,0,1|0,2,0]=4 479 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [0,1,0,0,0,1|1,0,0]=3 480 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,1,0,0,0,1|1,0,0]=3 481 B12R1.27 NCC(O)COC1=CC=CC=C1 PH010102 [0,1,0,0,0,1|1,0,1]=4 482 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,1,0,0,0,1|1,0,0]=3 483 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,1,0,0,0,1|1,0,0]=3 484 B12R1.27 NNC(=S)NCC1=CC=CC=C1 S539333 [0,1,0,0,0,1|1,1,0]=4 485 B12R1.27 O=C(/C=C/C1=CC=NC=C1)NO S742236 [0,1,0,0,0,1|1,0,1]=4 486 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,1,0,0,0,1|1,0,0]=3 487 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 PH015342 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,1,0,0,0,1|1,0,0]=3 489 B12R1.27 OC(CCl)CSC1=CC=CC=C1 PH009388 [0,1,0,0,0,1|1,0,1]=4 490 B12R1.27 OCC(O)CSC1=CC=CC=C1 S614637 [0,1,0,0,0,1|0,0,2]=4 491 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,1,0,0,0,1|2,0,0]=4 492 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,1,0,0,0,1|1,0,0]=3 493 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,1,0,0,0,1|1,0,0]=3 494 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,1,0,0,0,1|1,0,0]=3 495 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,1,0,0,0,1|0,0,0]=2 496 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O EME00360 [0,1,0,0,0,1|1,0,0]=3 497 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O EME00361 [0,1,0,0,0,1|2,0,0]=4 498 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [0,1,0,0,0,1|2,0,0]=4 499 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [0,1,0,0,0,1|1,0,0]=3 500 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,1,0,0,0,1|1,1,0]=4 501 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [0,1,0,0,0,1|1,0,0]=3 502 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [0,1,0,0,0,1|1,0,0]=3 503 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,1,0,0,0,1|0,0,0]=2 504 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [0,1,0,0,0,1|0,0,1]=3 505 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [0,1,0,0,0,1|0,0,1]=3 506 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F CDS021801 [0,1,0,0,0,1|1,0,1]=4 507 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [0,1,0,0,0,1|0,0,1]=3 508 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,1,0,0,0,1|0,0,0]=2 509 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [0,1,0,0,0,1|1,0,0]=3 510 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,1,0,0,0,1|0,0,1]=3 511 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,1,0,0,0,1|1,0,1]=4 512 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,1,0,0,0,1|0,0,1]=3 513 B12R1.107 C=C(Cl)CN(C)C1=CC=CC=C1 R226874 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,1,0,0,0,1|2,0,0]=4 515 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,1,0,0,0,1|0,0,0]=2 516 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,1,0,0,0,1|1,0,1]=4 517 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [0,1,0,0,0,1|2,0,0]=4 518 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,1,0,0,0,1|1,0,0]=3 520 B12R1.125 CC(=O)OCC1=C(C=NC=C1)C T161446 [0,1,0,0,0,1|2,0,0]=4 521 B12R1.125 CC(=O)OCC1=C(C=NC=C1)Cl T161071 [0,1,0,0,0,1|2,0,0]=4 522 B12R1.125 CC(O)COC1=CC=CC=C1Cl PH006972 [0,1,0,0,0,1|1,0,1]=4 523 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,1,0,0,0,1|0,0,0]=2 524 B12R1.125 CC1=C(C=CC=C1)OCC(=S)N OTV000238 [0,1,0,0,0,1|1,1,0]=4 525 B12R1.125 CC1=C(C=CC=C1)OCC(C)O PH016252 [0,1,0,0,0,1|1,0,1]=4 526 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,1,0,0,0,1|1,0,0]=3 527 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,1,0,0,0,1|0,0,0]=2 528 B12R1.125 CC1=CC=CC=[N+]1CCC(=O)N S343285 [0,1,0,0,0,1|2,0,0]=4 529 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [0,1,0,0,0,1|2,0,0]=4 530 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl T282057 [0,1,0,0,0,1|2,0,0]=4 531 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,1,0,0,0,1|1,0,0]=3 532 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,1,0,0,0,1|1,0,0]=3 533 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,1,0,0,0,1|0,0,1]=3 534 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,1,0,0,0,1|1,0,0]=3 535 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,1,0,0,0,1|0,0,1]=3 536 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,1,0,0,0,1|0,0,0]=2 537 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,1,0,0,0,1|0,0,0]=2 538 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,1,0,0,0,1|0,0,0]=2 539 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,1,0,0,0,1|0,0,0]=2 540 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,1,0,0,0,1|1,0,0]=3 541 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [0,1,0,0,0,1|2,0,0]=4 542 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,1,0,0,0,1|0,0,0]=2 543 B12R1.226 CC1=CC=NC(=N1)SCC(=O)O S359351 [0,1,0,0,0,1|2,0,0]=4 544 B12R1.226 CC1=C[N+](=CC=C1)CCC(=O)N S343293 [0,1,0,0,0,1|2,0,0]=4 545 B12R1.226 N=C(N)COC1=CC=CC(=C1)Cl CBR01127 [0,1,0,0,0,1|2,0,0]=4 546 B12R1.226 N=C(N)SCC1=CC(=CC=C1)Cl S533416 [0,1,0,0,0,1|2,0,0]=4 547 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,1,0,0,0,1|0,0,0]=2 548 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,1,0,0,0,1|0,0,0]=2 549 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,1,0,0,0,1|0,0,0]=2 550 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164135 [0,1,0,0,0,1|1,0,1]=4 551 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164143 [0,1,0,0,0,1|1,0,1]=4 552 B12R1.891 O=P(O)(O)/C=C/C1=CC=CC=C1 PH002029 [0,1,0,0,0,1|1,0,1]=4 553 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 L496227 [0,1,0,0,0,1|1,0,0]=3 554 B12R1.891 O=S(=O)(O)CCC1=CC=CC=N1 PH010890 [0,1,0,0,0,1|2,0,0]=4 555 B12R1.891 O=S(=O)([O-])CNC1=CC=CC=C1 S505595 [0,1,0,0,0,1|1,0,1]=4 556 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.4 CC(=O)NC1=CC=C(C=C1)[Hg]Cl S881155 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.4 CC(=O)OC1=CC=C(C=C1)C#N PH011683 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.4 CCC1=CC=C(C=C1)NC(=O)N S639788 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.4 CSC1=CC=C(C=C1)NC(=O)N S892882 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N CDS011984 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl S388254 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)F S500682 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C CBR00068 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.19 N=C(N)CC1=CC(=C(C=C1)F)F PH015013 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)F)F CDS012016 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,2,0,0,0,0|0,0,0]=2 582 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,2,0,0,0,0|0,0,0]=2 583 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Br S838691 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N R750425 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,2,0,0,0,0|0,0,0]=2 587 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,2,0,0,0,0|0,0,0]=2 588 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,2,0,0,0,0|0,0,0]=2 589 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,2,0,0,0,0|0,0,0]=2 590 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S278947 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S390305 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,2,0,0,0,0|0,0,0]=2 607 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,2,0,0,0,0|0,0,0]=2 608 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,2,0,0,0,0|0,0,0]=2 609 B12R1.49 COC(=O)CC1=CC=C(C=N1)Br PHB00159 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.49 COC(=O)C[N+]1=CC=C(C=C1)C S225843 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Br S898104 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Cl S898090 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.49 N/C(=N/O)/CC1=CC=C(C=C1)Br PH014888 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [0,2,0,0,0,0|1,0,1]=4 617 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Br PH011084 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Cl PH010742 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S188883 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S407488 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F S728950 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I S878219 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.49 O=C(CI)NC1=CC=C(C=C1)Br S399272 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.49 O=C(CS)NC1=CC=C(C=C1)F OTV001006 [0,2,0,0,0,0|1,1,0]=4 626 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Cl R278378 [0,2,0,0,0,0|1,0,1]=4 629 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)Cl PH009147 [0,2,0,0,0,0|1,0,1]=4 630 B12R1.106 O=P(O)(O)CC1=CC=C(C=C1)I PH006094 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.106 O=S(=O)(Cl)CC1=CC=C(C=C1)Br CDS006543 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,2,0,0,0,0|0,0,0]=2 648 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.233 NC(=S)CC1=C(C=C(C=C1)F)Cl PH015040 [0,2,0,0,0,0|1,1,0]=4 651 B12R1.233 NC1=NC(=O)N(C=C1)CC(=O)O PH016067 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.233 NC1=NC=C(C(=N1)O)CC(=O)O CDS016798 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.233 O=C(O)CC1=C(C=C(C=N1)Cl)F CDS023951 [0,2,0,0,0,0|1,0,0]=3 654 B12R1.233 O=C(O)CN1C=CC(=O)NC1=O CDS012581 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.34 CC(C1=CC=CC=C1)N(C)N=O PH001188 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 S593400 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [0,2,0,0,0,0|1,0,1]=4 659 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [0,2,0,0,0,0|1,0,1]=4 660 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [0,2,0,0,0,0|1,0,1]=4 661 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [0,2,0,0,0,0|1,0,1]=4 662 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 CBR00334 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S91740 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S953326 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,2,0,0,0,0|1,0,0]=3 666 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [0,2,0,0,0,0|0,0,0]=2 667 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [0,2,0,0,0,0|0,0,0]=2 668 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [0,2,0,0,0,0|0,0,0]=2 669 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [0,2,0,0,0,0|0,0,0]=2 670 B12R1.34 COC(=O)C(O)C1=CN=CC=C1 PH015315 [0,2,0,0,0,0|1,0,0]=3 671 B12R1.34 NC(CO)C(Cl)C1=CC=CC=C1 PH013300 [0,2,0,0,0,0|1,0,1]=4 672 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [0,2,0,0,0,0|1,0,1]=4 673 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [0,2,0,0,0,0|1,0,1]=4 674 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.34 O=C(C1=CC=CC=C1)/C(=N/O)/Cl PH002865 [0,2,0,0,0,0|1,0,1]=4 677 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,2,0,0,0,0|0,0,0]=2 678 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,2,0,0,0,0|0,0,0]=2 679 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,2,0,0,0,0|1,0,1]=4 680 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)Cl S559024 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,2,0,0,0,0|0,0,0]=2 682 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [0,2,0,0,0,0|1,0,0]=3 684 B12R1.253 CC(C)(C(=O)N)C1=CC=CC=C1 PH011015 [0,2,0,0,0,0|1,0,0]=3 685 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [0,2,0,0,0,0|0,0,0]=2 686 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 S116629 [0,2,0,0,0,0|0,0,0]=2 687 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 S315958 [0,2,0,0,0,0|0,0,0]=2 689 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [0,2,0,0,0,0|1,0,1]=4 692 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.478 CC(=O)/C(=N\O)/C1=CC=CC=C1 PH008967 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [0,2,0,0,0,0|1,0,0]=3 695 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S401900 [0,2,0,0,0,0|0,0,1]=3 696 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S679364 [0,2,0,0,0,0|0,0,1]=3 697 B12R1.478 CCN(C(=O)Cl)C1=CC=CC=C1 PH010143 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.478 CNC(C(=O)O)C1=CC=CN=C1 PH018220 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 S564001 [0,2,0,0,0,0|0,0,1]=3 702 B12R1.478 O=C(O)/C(=N\O)/C1=CC=CC=C1 S332178 [0,2,0,0,0,0|0,0,1]=3 703 B12R1.478 [C@@H](OC)(C(=O)Cl)C1=CC=CC=C1 T306541 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.564 NC(C1=CC=CC=C1)P(=O)(O)O PH011415 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.564 NC(C1=CC=CC=C1)S(=O)(=O)O PH008647 [0,2,0,0,0,0|1,0,0]=3 706 B12R1.564 O=P(O)(O)C(O)C1=CC=CC=C1 PH010920 [0,2,0,0,0,0|1,0,0]=3 707 B12R1.564 O=P([O-])([O-])C(O)C1=CC=CC=C1 S602604 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.564 O=S(=O)(O)C(O)C1=CC=NC=C1 S373729 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.564 O=S(=O)([O-])C(Cl)C1=CC=CC=C1 T169153 [0,2,0,0,0,0|1,0,1]=4 710 B12R1.564 O=S(=O)([O-])C(O)C1=CC=CC=C1 S512184 [0,2,0,0,0,0|1,0,1]=4 711 B12R1.32 C/C(=C\C1=CC=CC=C1)/C=N/O S626856 [0,2,0,0,0,0|1,0,1]=4 712 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [0,2,0,0,0,0|1,0,1]=4 713 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [0,2,0,0,0,0|1,0,1]=4 714 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [0,2,0,0,0,0|1,0,1]=4 715 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 L497142 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 S343471 [0,2,0,0,0,0|1,0,0]=3 719 B12R1.32 CCOC(=O)NC1=CC=CC=C1 S714615 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.32 CCOC(=O)NC1=CC=CC=N1 PH000186 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.32 CCOC(=O)NC1=CN=CC=C1 EME00390 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.32 CCOC(=S)NC1=CC=CC=C1 S412716 [0,2,0,0,0,0|1,1,0]=4 724 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 R611433 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 S534161 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.32 NCCC(=O)NC1=CC=CC=C1 CBR00894 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 PH000185 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 PH014668 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 T281719 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,2,0,0,0,0|0,0,1]=3 731 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.50 CC1=CC(=CC=C1)C/C(=N/O)/N BOG00133 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [0,2,0,0,0,0|1,1,0]=4 735 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br S700290 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl TMT00606 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)F R822876 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [0,2,0,0,0,0|1,0,1]=4 748 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [0,2,0,0,0,0|1,0,1]=4 749 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [0,2,0,0,0,0|1,0,1]=4 750 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 PH000278 [0,2,0,0,0,0|1,0,1]=4 751 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [0,2,0,0,0,0|1,0,1]=4 752 B12R1.194 O=S(=O)(CCl)CC1=CC=CC=C1 T163902 [0,2,0,0,0,0|1,0,1]=4 753 B12R1.371 CC1=C(C=CC=C1)NC(=O)C#N S898007 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S278939 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S292044 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S378208 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,2,0,0,0,0|0,0,0]=2 762 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,2,0,0,0,0|0,0,0]=2 763 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,2,0,0,0,0|0,0,0]=2 764 B12R1.371 COC(=O)C[N+]1=CC=CC=C1C R433624 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.371 COC(=O)NC1=C(C=CC=C1)Cl S634352 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)Cl S898082 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)F S898724 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,2,0,0,0,0|1,0,0]=3 770 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,2,0,0,0,0|1,0,0]=3 771 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O S501069 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.371 O=C(CCl)OC1=C(C=CC=C1)F PH008803 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.371 O=C(CI)NC1=CC=CC=C1Cl R823252 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.75 C(=O)C1=C(C=CC=C1)OC(=O)C R252476 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.75 CC(=O)NC1=CC=CC=C1C#N S192295 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.75 CC(=O)OC1=CC=CC=C1C#N PH000056 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.75 CCC1=C(C=CC=C1)NC(=O)C S764914 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.75 CCC1=CC=CC=C1NC(=O)N S641782 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.75 COC1=C(C=CC=C1)CC(=N)N PH016267 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.75 COC1=C(C=CC=C1)CC(=O)N EME00432 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.75 COC1=CC=CC=C1NC(=O)N S352535 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.75 CSC1=C(C=CC=C1)NC(=O)C PH003618 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.75 CSC1=CC=CC=C1CC(=O)O OTV000686 [0,2,0,0,0,0|0,0,0]=2 786 B12R1.75 N#CC1=CC=CC=C1CC(=O)O CDS011719 [0,2,0,0,0,0|0,0,0]=2 787 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C S344311 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl S390119 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Br CDS021152 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.127 CC1=CC=C(C=C1NC(=O)N)Cl S431354 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.127 O=C(O)CC1=CC(=O)NNC1=O CBR01301 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.127 O=C(O)CN1N=C(C=CC1=O)Cl CBR00361 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.151 NS(=O)(=O)CC1=C(C=CC=C1)Cl T281255 [0,2,0,0,0,0|1,0,1]=4 796 B12R1.151 O=S(=O)([O-])CC1=CC=CC=C1O S775932 [0,2,0,0,0,0|1,0,1]=4 797 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Br R647888 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.224 CC1=C(C(=CC=C1)NC(=O)N)C S536148 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.224 CC1=CC=CN(C1=O)CC(=O)O OTV000690 [0,2,0,0,0,0|1,0,0]=3 800 B12R1.224 CC1=CC=CN(C1=O)CC(=O)[O-] OTV000754 [0,2,0,0,0,0|1,0,1]=4 801 B12R1.224 NC(=O)NC1=CC=CC(=C1Cl)Cl S599328 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.224 NC1=CC=CN(C1=O)CC(=O)O PH018006 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.1009 CC(=O)NC1=C(C=CC=C1C)Cl R591661 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.1009 CC(=O)NC1=C(C=CC=C1Cl)Cl R646350 [0,2,0,0,0,0|2,0,0]=4 805 B12R1.1009 CC(=O)OC1=C(C=CC=C1C)C S240354 [0,2,0,0,0,0|2,0,0]=4 806 B12R1.1009 CC1=CC=CC(=C1NC(=O)N)Cl S708852 [0,2,0,0,0,0|2,0,0]=4 807 B12R1.1009 CC1=CC=CC(=O)N1CC(=O)O PH018003 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.1009 CC1=CC=CC(=[N+]1CC(=O)O)C S243116 [0,2,0,0,0,0|1,0,0]=3 809 B12R1.1009 N=C(N)CC1=C(C=CC=C1F)Cl PH015036 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.1009 NC(=S)CC1=C(C=CC=C1Cl)Cl PH014656 [0,2,0,0,0,0|1,1,0]=4 811 B12R1.1009 OB(O)CC1=C(C=CC=C1Cl)Cl CDS008083 [0,2,0,0,0,0|1,0,1]=4 812 B12R1.101 CC(=O)NC1=CC(=CC(=C1)Cl)Cl R591645 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.101 CC(=O)NC1=CC(=CC(=C1)F)F PH011162 [0,2,0,0,0,0|2,0,0]=4 814 B12R1.101 CC(=O)OC1=CC(=CC(=C1)C)C S34860 [0,2,0,0,0,0|2,0,0]=4 815 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C CDS003331 [0,2,0,0,0,0|0,0,0]=2 816 B12R1.101 NC(=O)NC1=CC(=CC(=C1)Cl)Cl S714992 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.101 O=C(Cl)CC1=CC(=CC(=C1)F)F PH014353 [0,2,0,0,0,0|1,0,0]=3 818 B12R1.101 O=C(O)CC1=CC(=CC(=C1)Cl)F L301000 [0,2,0,0,0,0|0,0,0]=2 819 B12R1.438 C(=O)C1=CC(=CC=C1)OC(=O)C R267635 [0,2,0,0,0,0|2,0,0]=4 820 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO EME00277 [0,2,0,0,0,0|2,0,0]=4 821 B12R1.438 CC(=O)NC1=CC=CC(=C1)CN CDS010992 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.438 CC(=O)OC1=CC(=CC=C1)C#N S344893 [0,2,0,0,0,0|2,0,0]=4 823 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [0,2,0,0,0,0|2,0,0]=4 824 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [0,2,0,0,0,0|2,0,0]=4 830 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,1,0,0|1,1,0]=4 831 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,1,0,0|1,1,0]=4 832 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,1,0,0|1,0,1]=4 833 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [1,0,0,1,0,0|1,0,1]=4 834 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,1,0,0|1,1,0]=4 835 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|0,0,0]=2 836 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,1,0,1|2,0,0]=4 837 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,0,0,1,0,1|1,0,1]=4 838 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,0,0,1,0,1|2,0,0]=4 839 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,0,0,1,0,1|2,0,0]=4 840 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,1|1,0,0]=3 841 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,1|1,0,0]=3 842 B12R2.24 O=C1COC2=CC=NC=C2N1 ADE001248 [0,0,0,1,0,1|2,0,0]=4 843 B12R2.24 O=C1COC2=NC=CC=C2N1 ADE001249 [0,0,0,1,0,1|2,0,0]=4 844 B12R2.24 O=C1CSC2=NC=CC=C2N1 PH011261 [0,0,0,1,0,1|2,0,0]=4 845 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,0,0,1,0,1|1,0,1]=4 846 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,0,0,1,0,1|1,0,1]=4 847 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,0,0,1,0,1|0,0,2]=4 848 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,0,0,1,0,1|1,1,0]=4 849 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,0,0,1,0,1|1,1,0]=4 850 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,0,0,1,0,1|1,1,0]=4 851 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [0,0,0,1,0,1|1,0,1]=4 852 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [0,1,0,1,0,0|1,1,0]=4 853 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,1,0,1,0,0|1,0,1]=4 854 B12R2.606 CC1=CC2=NC(=O)CN2C=C1 PH012135 [0,1,0,1,0,0|2,0,0]=4 855 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,1,0,1,0,0|2,0,0]=4 856 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,1,0,1,0,0|2,0,0]=4 857 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,1,0,1,0,0|2,0,0]=4 858 B12R2.606 CC1CC2=CC(=CC=C2O1)N CBR00712 [0,1,0,1,0,0|1,0,1]=4 859 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [0,1,0,1,0,0|2,0,0]=4 860 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,1,0,1,0,0|1,0,0]=3 862 B12R2.606 O=C1CC2=CC(=CN=C2N1)F ADE001070 [0,1,0,1,0,0|2,0,0]=4 863 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,1,0,1,0,0|1,0,0]=3 864 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,1,0,1,0,0|1,0,0]=3 865 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,1,0,1,0,0|1,1,0]=4 866 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,1,0,1,0,0|2,0,0]=4 867 B12R2.606 O=C1NC2=NC=C(C=C2O1)Br CDS005180 [0,1,0,1,0,0|2,0,0]=4 868 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,1,0,1,0,0|1,0,0]=3 869 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [0,1,0,1,0,0|2,0,0]=4 870 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [0,1,0,1,0,0|2,0,0]=4 871 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,1,0,1,0,0|2,0,0]=4 872 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,1,0,1,0,0|1,1,0]=4 873 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,1,0,1,0,0|2,0,0]=4 874 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,1,0,1,0,0|1,0,0]=3 875 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,1,0,1,0,0|1,0,0]=3 876 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,1,0,1,0,0|0,0,0]=2 877 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,1,0,1,0,0|1,0,0]=3 878 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [0,1,0,1,0,0|1,1,0]=4 879 B12R2.32 ClCC1=NC2=CC=CC=C2O1 CDS016769 [0,1,0,1,0,0|2,0,0]=4 880 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 R700967 [0,1,0,1,0,0|1,0,1]=4 881 B12R2.32 N#CC1=NC2=CC=CC=C2O1 PH009850 [0,1,0,1,0,0|2,0,0]=4 882 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [0,1,0,1,0,0|2,0,0]=4 883 B12R2.32 OCC1=NC2=C(S1)C=CC=C2 CDS006337 [0,1,0,1,0,0|1,1,0]=4 884 B12R2.95 O=S1(=O)CC2=C(C1)C=CC=C2 T163449 [0,1,0,1,0,0|1,0,1]=4 885 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,1,0,1,0,0|1,0,1]=4 886 B12R2.202 CC1=NC2=CC=CC(=C2O1)Br CDS021215 [0,1,0,1,0,0|2,0,0]=4 887 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,1,0,1,0,0|1,0,0]=3 888 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,1,0,1,0,0|1,0,1]=4 889 B12R2.202 O=C1CC2=C(C=CN=C2N1)Cl CDS023561 [0,1,0,1,0,0|2,0,0]=4 890 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,1,0,1,0,0|1,0,0]=3 891 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [0,1,0,1,0,0|1,1,0]=4 892 B12R2.202 OC1=NC2=C(S1)C=CC=C2Cl R587354 [0,1,0,1,0,0|1,1,0]=4 893 B8R1.8 OCCN1C=CC=C1 CDS000018 [1,0,0,0,1,0|1,0,1]=4 894 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,0,0,0,2,0|2,0,0]=4 895 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,0,0,0,2,0|2,0,0]=4 896 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,0,0,2,0|1,0,0]=3 897 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [0,0,0,0,2,0|2,0,0]=4 898 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [0,0,0,0,2,0|2,0,0]=4 899 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [0,0,0,0,2,0|2,0,0]=4 900 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [0,0,0,0,2,0|2,0,0]=4 901 B8R1.7 O=C(O)C1=CSN=C1 T312894 [0,0,0,0,2,0|2,0,0]=4 902 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [0,0,0,0,2,0|2,0,0]=4 903 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,0,0,0,0,2|2,0,0]=4 904 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [0,0,0,0,0,2|1,0,1]=4 905 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,0,0,0,0,2|1,0,0]=3 906 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,0,0,0,0,2|1,0,0]=3 907 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [0,0,0,0,0,2|1,0,1]=4 908 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,0,0,0,0,2|1,0,0]=3 909 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [0,0,0,0,0,2|2,0,0]=4 910 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [0,0,0,0,0,2|1,0,0]=3 911 B12R1.252 CC(O)C/N=C/C1=CC=CC=C1 PH009580 [0,0,0,0,0,2|1,0,1]=4 912 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [0,0,0,0,0,2|1,0,1]=4 913 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [0,0,0,0,0,2|1,0,1]=4 914 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [0,0,0,0,0,2|1,0,1]=4 915 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [0,0,0,0,0,2|1,0,1]=4 916 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [0,0,0,0,0,2|1,0,1]=4 917 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [0,0,0,0,0,2|2,0,0]=4 918 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,0,0,0,0,2|1,0,0]=3 919 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,0,0,0,0,2|1,0,0]=3 920 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,0,0,0,0,2|1,0,0]=3 921 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [0,0,0,0,0,2|1,1,0]=4 922 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,0,0,0,0,2|1,0,0]=3 923 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [0,0,0,0,0,2|0,0,0]=2 924 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [0,0,0,0,0,2|0,0,0]=2 925 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [0,0,0,0,0,2|0,0,0]=2 926 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [0,0,0,0,0,2|1,0,0]=3