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|2,0,0]=2 8 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,0,0|1,1,0]=2 18 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|2,0,1]=4 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|2,0,0]=3 25 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,0,0,0,0|0,1,0]=2 44 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [0,1,0,0,0,0|1,1,1]=4 48 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,1,0,0,0,0|2,1,0]=4 54 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,1,0,0,0,0|2,1,0]=4 62 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,1,0,0,0,0|2,1,0]=4 63 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,1,0,0,0,0|2,1,0]=4 64 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,1,0,0,0,0|1,1,0]=3 67 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [0,1,0,0,0,0|1,1,0]=3 69 B11R1.20 S=C(Cl)SC1=CC=C(C=C1)Cl PH007816 [0,1,0,0,0,0|1,2,0]=4 70 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,0,0,0,0|1,0,2]=4 81 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,0,0,0,0|1,0,2]=4 84 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,0,0,0,0|1,0,2]=4 94 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,1,0,0,0,0|1,1,1]=4 95 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,1,0,0,0,0|1,1,0]=3 101 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,1,0,0,0,0|1,0,1]=3 103 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.40 COC(=O)C[N+]1=CC=CN=C1 S225894 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,1,0,0,0,0|1,1,0]=3 111 B11R1.40 CSC(=S)NC1=CC=CC=N1 PH002652 [0,1,0,0,0,0|2,1,0]=4 112 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,0,0|0,0,0]=1 132 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [0,1,0,0,0,0|1,0,1]=3 134 B11R1.86 CC(C)OC1=NC=CC=C1I ADE000296 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [0,1,0,0,0,0|1,1,1]=4 136 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [0,1,0,0,0,0|1,1,1]=4 137 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.157 FC1=CC=CC(=C1)OC(F)F MNO000146 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,1,0,0,0,0|2,1,0]=4 169 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.157 O=C([O-])C[N+]1=CC=CC(=C1)O PH007028 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.157 OC1=CC=CC(=C1)OC(F)F CDS005791 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.509 CS(=O)(=O)NC1=CC=CC=N1 T326070 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.509 CS(=O)(=O)OC1=CN=CC=C1 PH009192 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 PH008054 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CDS010546 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 S808962 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.509 [SiH2](C1=CC=CC=C1)C(C)(C)C S831409 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,0,1,0,0,0|2,0,1]=4 185 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [0,0,0,1,0,0|2,0,1]=4 186 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [0,0,0,1,0,0|3,0,0]=4 187 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,0,0,1,0,0|1,0,1]=3 188 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,0,0,1,0,0|3,0,0]=4 189 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,0,1,0,0|2,0,0]=3 190 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,0,0,1,0,0|2,0,0]=3 191 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,1,0,0|1,1,0]=3 192 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,1,0,0|1,1,0]=3 193 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,0,0,1,0,0|1,0,1]=3 194 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,0,0,1,0,0|1,1,1]=4 195 B11R2.10 [C@H]12C=CC=C[C@H]1CC(=O)C2 T183474 [0,0,0,1,0,0|1,0,2]=4 196 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,0,0,1,0,0|1,2,0]=4 197 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,0,0,0,1,0|2,0,1]=4 198 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,0,0,0,1,0|2,0,1]=4 199 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,0,0,0,1,0|2,0,1]=4 200 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,0,0,0,1,0|2,0,1]=4 201 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,0,0,0,1,0|0,1,1]=3 202 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,0,0,0,1,0|2,0,0]=3 203 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,0,0,0,1,0|2,0,0]=3 204 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,0,0,0,1,0|2,0,1]=4 205 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,0,0,0,1,0|2,0,0]=3 206 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [0,0,0,0,1,0|3,0,0]=4 207 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,0,0,0,1,0|2,0,0]=3 208 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,0,0,1,0|2,0,0]=3 209 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,0,0,1,0|2,0,0]=3 210 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,0,0,0,1,0|3,0,0]=4 211 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [0,0,0,0,1,0|1,0,2]=4 212 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,1,0|1,0,0]=2 213 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,0,0,1,0|2,0,0]=3 214 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,0,0,0,1,0|2,0,0]=3 215 B9R1.13 CC(=O)CN1C=CC=N1 CBR00875 [0,0,0,0,1,0|3,0,0]=4 216 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [0,0,0,0,1,0|2,0,0]=3 217 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,0,0,0,1,0|3,0,0]=4 218 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [0,0,0,0,1,0|3,0,0]=4 219 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,0,0,0,1|2,0,0]=3 220 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [0,0,0,0,0,1|0,0,2]=3 221 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,0,0,0,1|2,0,0]=3 222 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,0,0,0,1|1,1,0]=3 223 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,0,0,0,0,1|2,0,1]=4 224 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,0,0,0,0,1|1,1,1]=4 225 B11R1.91 CC(=NOC1=CC=NC=C1)C T160091 [0,0,0,0,0,1|2,0,0]=3 226 B11R1.91 CC(=NOC1=CC=NC=C1)C T161659 [0,0,0,0,0,1|2,0,0]=3 227 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,0,1|0,1,0]=2 228 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,0,0,0,1|2,0,0]=3 229 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,0,0,0,1|1,0,0]=2 230 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,0,0,0,0,1|1,1,1]=4 231 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,0,0,0,0,1|2,0,1]=4 232 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,0,0,0,0,1|2,0,1]=4 233 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,0,0,0,0,1|2,0,1]=4 234 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,0,0,0,0,1|1,0,1]=3 235 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,0,0,0,0,1|2,0,1]=4 236 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,0,0,0,0,1|1,0,1]=3 237 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,0,0,0,0,1|3,0,0]=4 238 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,0,0,0,0,1|3,0,0]=4 239 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,0,0,0,0,1|3,0,0]=4 240 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,0,0,0,0,1|3,0,0]=4 241 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,0,0,0,0,1|2,0,0]=3 242 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,0,0,0,0,1|3,0,0]=4 243 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,0,0,0,0,1|2,0,0]=3 244 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,0,0,0,0,1|3,0,0]=4 245 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,0,1|2,0,0]=3 246 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,0,1|1,1,0]=3 247 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,0,0,0,0,1|2,0,0]=3 248 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,0,0,0,0,1|1,1,0]=3 249 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,0,0,0,0,1|2,1,0]=4 250 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,0,0,0,0,1|2,1,0]=4 251 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,0,0,0,1|2,0,0]=3 252 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,0,0,0,1|3,0,0]=4 253 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,0,0,0,0,1|3,0,0]=4 254 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,0,0,0,0,1|3,0,0]=4 255 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,0,0,0,0,1|3,0,0]=4 256 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,0,0,0,0,1|2,1,0]=4 257 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,0,0,0,1|2,0,0]=3 258 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,0,0,0,1|2,0,0]=3 259 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,0,0,0,0,1|2,0,0]=3 260 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,0,1|1,0,0]=2 261 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,0,1|1,1,0]=3 262 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,0,0,0,0,1|2,0,0]=3 263 B11R1.91 OB(O)O[Hg]C1=CC=CC=C1 S366137 [0,0,0,0,0,1|2,0,1]=4 264 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=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 COC1=NC=CC=N1 CDS005079 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,1]=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 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|1,1,0]=4 275 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,1,0,0,0,0|0,0,1]=3 278 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|0,0,1]=3 281 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|0,0,1]=3 282 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|0,1,1]=4 284 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|0,1,1]=4 285 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,1,0,0,0,0|0,1,1]=4 295 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|0,0,1]=3 298 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|0,1,1]=4 300 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|0,1,1]=4 312 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [1,1,0,0,0,0|0,1,1]=4 327 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,1,0,0,0,0|0,1,0]=3 328 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [1,1,0,0,0,0|0,1,0]=3 330 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,1,0,0,0,0|0,1,0]=3 332 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,1,0,0,0,0|0,1,1]=4 333 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,1,0,0,1,0|1,0,0]=3 336 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,1,0,0,1,0|1,0,0]=3 337 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,1,0,0,1,0|1,0,0]=3 338 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,1,0,0,1,0|1,0,0]=3 339 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,1,0,0,1,0|1,0,1]=4 340 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,1,0,0,1,0|1,0,1]=4 341 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,1,0,0,1,0|2,0,0]=4 342 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,1,0,0,1,0|2,0,0]=4 343 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,1,0,0,1,0|2,0,0]=4 344 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,1,0,0,1,0|2,0,0]=4 345 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,1,0,0,1,0|2,0,0]=4 346 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,1,0,0,1,0|2,0,0]=4 347 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,1,0,0,1,0|2,0,0]=4 348 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,1,0,0,1,0|2,0,0]=4 349 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,1,0,0,1,0|2,0,0]=4 350 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,1,0,0,1,0|2,0,0]=4 351 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,1,0,0,1,0|2,0,0]=4 352 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,1,0,0,1,0|1,1,0]=4 353 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,1,0,0,1,0|1,0,0]=3 354 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,1,0,0,1,0|1,0,0]=3 355 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,1,0,0,1,0|2,0,0]=4 356 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,1,0,0,1,0|2,0,0]=4 357 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,1,0,0,1,0|1,0,0]=3 358 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,1,0,0,1,0|2,0,0]=4 359 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,1,0,0,1,0|2,0,0]=4 360 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [0,1,0,0,1,0|1,0,1]=4 361 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [0,1,0,0,1,0|1,1,0]=4 362 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [0,1,0,0,1,0|2,0,0]=4 363 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [0,1,0,0,1,0|2,0,0]=4 364 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [0,1,0,0,1,0|2,0,0]=4 365 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [0,1,0,0,1,0|2,0,0]=4 366 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [0,1,0,0,1,0|2,0,0]=4 367 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [0,1,0,0,1,0|2,0,0]=4 368 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,1,0,0,1,0|1,0,0]=3 369 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,1,0,0,1,0|2,0,0]=4 370 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,1,0,0,1,0|1,0,1]=4 371 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,1,0,0,1,0|1,0,1]=4 372 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,1,0,0,1,0|1,0,1]=4 373 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,1,0,0,1,0|0,0,2]=4 374 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,1,0,0,1,0|1,1,0]=4 375 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,1,0,0,1,0|2,0,0]=4 376 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,1,0,0,1,0|2,0,0]=4 377 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,1,0,0,1,0|2,0,0]=4 378 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,1,0,0,1,0|1,0,1]=4 379 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,1,0,0,1,0|2,0,0]=4 380 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,1,0,0,1,0|1,0,0]=3 381 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,1,0,0,1,0|1,0,1]=4 382 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,1,0,0,1,0|2,0,0]=4 383 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,1,0,0,1,0|2,0,0]=4 384 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,1,0,0,1,0|2,0,0]=4 385 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [0,1,0,0,1,0|2,0,0]=4 386 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,1,0,0,1,0|1,0,0]=3 387 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,1,0,0,1,0|1,0,0]=3 388 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,1,0,0,1,0|2,0,0]=4 389 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,1,0,0,1,0|2,0,0]=4 390 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,1,0,0,1,0|1,0,0]=3 391 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,1,0,0,1,0|2,0,0]=4 392 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,1,0,0,1,0|2,0,0]=4 393 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,1,0,0,1,0|2,0,0]=4 394 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,1,0,0,1,0|1,1,0]=4 395 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,1,0,0,1,0|1,0,0]=3 396 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,1,0,0,1,0|1,0,0]=3 397 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,1,0,0,1,0|1,0,0]=3 398 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,1,0,0,1,0|1,0,1]=4 399 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,1,0,0,1,0|1,0,1]=4 400 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,1,0,0,1,0|1,0,1]=4 401 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,1,0,0,1,0|1,0,1]=4 402 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,1,0,0,1,0|1,0,1]=4 403 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,1,0,0,1,0|1,1,0]=4 404 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,1,0,0,1,0|2,0,0]=4 405 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,1,0,0,1,0|2,0,0]=4 406 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,1,0,0,1,0|2,0,0]=4 407 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,1,0,0,1,0|2,0,0]=4 408 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,1,0,0,1,0|2,0,0]=4 409 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,1,0,0,1,0|2,0,0]=4 410 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,1,0,0,1,0|2,0,0]=4 411 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,1,0,0,1,0|2,0,0]=4 412 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,1,0,0,1,0|2,0,0]=4 413 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,1,0,0,1,0|2,0,0]=4 414 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,1,0,0,1,0|1,0,0]=3 415 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,1,0,0,1,0|1,0,0]=3 416 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,1,0,0,1,0|2,0,0]=4 417 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,1,0,0,1,0|2,0,0]=4 418 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,1,0,0,1,0|2,0,0]=4 419 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,1,0,0,1,0|2,0,0]=4 420 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,1,0,0,1,0|2,0,0]=4 422 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,1,0,0,1,0|2,0,0]=4 423 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,1,0,0,1,0|1,0,0]=3 424 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,1,0,0,1,0|2,0,0]=4 425 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,1,0,0,1,0|2,0,0]=4 426 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,1,0,0,1,0|2,0,0]=4 427 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,1,0,0,1,0|2,0,0]=4 428 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,1,0,0,1,0|2,0,0]=4 429 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,1,0,0,1,0|2,0,0]=4 430 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,1,0,0,1,0|2,0,0]=4 431 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,1,0,0,1,0|2,0,0]=4 432 B10R1.27 C/C(=C\C1=CC=CO1)/C=O PH011362 [0,1,0,0,1,0|2,0,0]=4 433 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 T272566 [0,1,0,0,1,0|0,0,2]=4 434 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,1,0,0,0,1|2,0,0]=4 435 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [0,1,0,0,0,1|1,0,0]=3 436 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [0,1,0,0,0,1|1,0,0]=3 437 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,1,0,0,0,1|1,0,0]=3 438 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,1,0,0,0,1|0,1,0]=3 439 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,1,0,0,0,1|1,0,0]=3 440 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,1,0,0,0,1|0,0,0]=2 441 B12R1.21 CC(C)COC1=CC=C(C=C1)N CDS008265 [0,1,0,0,0,1|1,0,1]=4 442 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,1,0,0,0,1|2,0,0]=4 443 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,1,0,0,0,1|1,0,0]=3 444 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [0,1,0,0,0,1|0,0,2]=4 445 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,1,0,0,0,1|1,1,0]=4 446 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br CBR01126 [0,1,0,0,0,1|2,0,0]=4 447 B12R1.21 N=C(N)COC1=CC=C(C=C1)F PH015367 [0,1,0,0,0,1|2,0,0]=4 448 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [0,1,0,0,0,1|2,0,0]=4 449 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,1,0,0,0,1|2,0,0]=4 450 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,1,0,0,0,1|1,0,0]=3 451 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,1,0,0,0,1|1,0,0]=3 452 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,1,0,0,0,1|1,1,0]=4 453 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [0,1,0,0,0,1|2,0,0]=4 454 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,1,0,0,0,1|2,0,0]=4 455 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [0,1,0,0,0,1|1,0,1]=4 456 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,1,0,0,0,1|1,0,0]=3 457 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,1,0,0,0,1|1,0,0]=3 458 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,1,0,0,0,1|1,0,0]=3 459 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,1,0,0,0,1|0,0,0]=2 460 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [0,1,0,0,0,1|1,0,0]=3 461 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,1,0,0,0,1|1,1,0]=4 462 B12R1.27 CNC(=S)NNC1=CC=CC=C1 S512400 [0,1,0,0,0,1|1,1,0]=4 463 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,1,0,0,0,1|2,0,0]=4 464 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,1,0,0,0,1|1,0,0]=3 465 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,1,0,0,0,1|0,1,0]=3 466 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [0,1,0,0,0,1|1,0,1]=4 467 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,1,0,0,0,1|0,0,0]=2 468 B12R1.27 NCC(O)COC1=CC=CC=C1 PH010102 [0,1,0,0,0,1|0,0,2]=4 469 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,1,0,0,0,1|2,0,0]=4 470 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,1,0,0,0,1|1,0,0]=3 471 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,1,0,0,0,1|1,0,0]=3 472 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 PH015342 [0,1,0,0,0,1|2,0,0]=4 473 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,1,0,0,0,1|1,0,0]=3 474 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,1,0,0,0,1|1,0,0]=3 475 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 S939773 [0,1,0,0,0,1|1,0,1]=4 476 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,1,0,0,0,1|2,0,0]=4 477 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,1,0,0,0,1|2,0,0]=4 478 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,1,0,0,0,1|2,0,0]=4 479 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,1,0,0,0,1|1,1,0]=4 480 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 S364436 [0,1,0,0,0,1|2,0,0]=4 481 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [0,1,0,0,0,1|2,0,0]=4 482 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,1,0,0,0,1|2,0,0]=4 483 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [0,1,0,0,0,1|2,0,0]=4 484 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [0,1,0,0,0,1|2,0,0]=4 485 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [0,1,0,0,0,1|2,0,0]=4 486 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,1,0,0,0,1|2,0,0]=4 487 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,1,0,0,0,1|2,0,0]=4 489 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,1,0,0,0,1|2,0,0]=4 490 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,1,0,0,0,1|1,0,0]=3 491 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [0,1,0,0,0,1|1,0,1]=4 492 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,1,0,0,0,1|2,0,0]=4 493 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,1,0,0,0,1|2,0,0]=4 494 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [0,1,0,0,0,1|1,0,0]=3 495 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [0,1,0,0,0,1|1,1,0]=4 496 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,1,0,0,0,1|0,0,0]=2 497 B12R1.125 CC(=O)OCC1=C(C=NC=C1)C T161446 [0,1,0,0,0,1|1,0,0]=3 498 B12R1.125 CC(=O)OCC1=C(C=NC=C1)Cl T161071 [0,1,0,0,0,1|1,0,0]=3 499 B12R1.125 CC(O)COC1=CC=CC=C1Cl PH006972 [0,1,0,0,0,1|0,0,2]=4 500 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,1,0,0,0,1|2,0,0]=4 501 B12R1.125 CC1=C(C=CC=C1)OCC(=S)N OTV000238 [0,1,0,0,0,1|1,1,0]=4 502 B12R1.125 CC1=C(C=CC=C1)OCC(C)O PH016252 [0,1,0,0,0,1|0,0,2]=4 503 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,1,0,0,0,1|1,0,0]=3 504 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,1,0,0,0,1|1,1,0]=4 505 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,1,0,0,0,1|1,0,0]=3 506 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,1,0,0,0,1|1,0,0]=3 507 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,1,0,0,0,1|2,0,0]=4 508 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,1,0,0,0,1|1,0,0]=3 509 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,1,0,0,0,1|2,0,0]=4 510 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,1,0,0,0,1|2,0,0]=4 511 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,1,0,0,0,1|1,0,0]=3 514 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,1,0,0,0,1|0,0,0]=2 515 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [0,1,0,0,0,1|1,0,0]=3 516 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,1,0,0,0,1|1,0,0]=3 517 B12R1.226 N=C(N)COC1=CC=CC(=C1)Cl CBR01127 [0,1,0,0,0,1|2,0,0]=4 518 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,1,0,0,0,1|2,0,0]=4 520 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,1,0,0,0,1|2,0,0]=4 521 B12R1.891 CC(C)(C)OCC1=CC=CC=C1 S653853 [0,1,0,0,0,1|1,0,1]=4 522 B12R1.891 CS(=O)(=O)/C=C/C1=CC=CC=C1 S778249 [0,1,0,0,0,1|2,0,0]=4 523 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)C CDS014228 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.4 C=CC1=CN=C(C=C1)NC(=O)C PH016842 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.4 CC(=O)NC1=CC=C(C=C1)[Hg]Cl S881155 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.4 CC(=O)OC1=CC=C(C=C1)C#N PH011683 [0,2,0,0,0,0|0,0,0]=2 528 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.4 CCC1=CC=C(C=C1)NC(=O)N S639788 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.4 CSC1=CC=C(C=C1)NC(=O)N S892882 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N CDS011984 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl S388254 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)F S500682 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C CBR00068 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,2,0,0,0,0|0,0,0]=2 544 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)F)F CDS012016 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Br S838691 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N R750425 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.49 CC(=CC1=CC=C(C=C1)F)C#N S448060 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S278947 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S390305 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.49 CC1=CC=C(N=C1)NC(=O)CCl CBR00101 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.49 CCC(=S)NC1=CC=C(C=C1)Cl S390224 [0,2,0,0,0,0|1,1,0]=4 568 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,2,0,0,0,0|1,0,0]=3 569 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,2,0,0,0,0|0,0,0]=2 573 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,2,0,0,0,0|0,0,0]=2 574 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [0,2,0,0,0,0|0,1,0]=3 575 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Br PH010047 [0,2,0,0,0,0|1,1,0]=4 576 B12R1.49 CNC(=S)NC1=CC=C(C=C1)C PH010042 [0,2,0,0,0,0|1,1,0]=4 577 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Cl PH009766 [0,2,0,0,0,0|1,1,0]=4 578 B12R1.49 CNC(=S)NC1=CC=C(C=C1)F TMT00071 [0,2,0,0,0,0|1,1,0]=4 579 B12R1.49 CNC(=S)NC1=CC=C(C=C1)I TMT00123 [0,2,0,0,0,0|1,1,0]=4 580 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,2,0,0,0,0|1,0,0]=3 583 B12R1.49 COC(=O)CC1=CC=C(C=N1)Br PHB00159 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.49 COC(=O)C[N+]1=CC=C(C=C1)C S225843 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.49 CS/C(=N/C1=CC=C(C=C1)Cl)/N PH011891 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Br S898104 [0,2,0,0,0,0|1,0,1]=4 589 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Cl S898090 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Br PH011084 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Cl PH010742 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S188883 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S407488 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F S728950 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I S878219 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.49 O=C(CI)NC1=CC=C(C=C1)Br S399272 [0,2,0,0,0,0|1,0,0]=3 598 B12R1.49 O=C(CS)NC1=CC=C(C=C1)F OTV001006 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)N OTV000288 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.106 CC1=CC=C(C=C1)NS(=O)(=O)C T100080 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.106 CC1=CC=C(C=C1)OS(=O)(=O)N PH008060 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)Cl PH009147 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.106 CS(=O)(=O)NC1=CC=C(C=C1)Cl T100153 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.106 NS(=O)(=O)OC1=CC=C(C=C1)Cl PH008055 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.233 CC(=O)NC1=NC=C(C=C1Br)N CDS023415 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.233 CC(=S)NC1=C(C=C(C=C1)C)Br R428477 [0,2,0,0,0,0|1,1,0]=4 622 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl CDS002313 [0,2,0,0,0,0|1,0,1]=4 623 B12R1.233 CC(C)OC1=CC=C(C=C1O)Cl PH018757 [0,2,0,0,0,0|1,0,1]=4 624 B12R1.233 CC(C)OC1=CC=C(C=C1O)F PH018775 [0,2,0,0,0,0|1,0,1]=4 625 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.34 C/C(=C(/N)\C1=CC=CC=C1)/C#N S238449 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.34 CC(C1=CC=CC=C1)N(C)N=O PH001188 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 S593400 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 CBR00334 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S91740 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S953326 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [0,2,0,0,0,0|1,0,0]=3 641 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.34 COC(=O)C(O)C1=CN=CC=C1 PH015315 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,2,0,0,0,0|1,0,0]=3 647 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)Cl S559024 [0,2,0,0,0,0|1,0,0]=3 648 B12R1.225 CC(=O)N(C)C1=CC=CC(=N1)Br CDS023643 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.253 CC(C)(C(=O)N)C1=CC=CC=C1 PH011015 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 S116629 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 S315958 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.478 CC(=O)/C(=N\O)/C1=CC=CC=C1 PH008967 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S401900 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S679364 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.478 CCN(C(=O)Cl)C1=CC=CC=C1 PH010143 [0,2,0,0,0,0|2,0,0]=4 662 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,2,0,0,0,0|1,0,0]=3 663 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 S564001 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.478 O=C(O)/C(=N\O)/C1=CC=CC=C1 S332178 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.478 [C@@H](OC)(C(=O)Cl)C1=CC=CC=C1 T306541 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.32 C/C(=C\C1=CC=CC=C1)/C=N/O S626856 [0,2,0,0,0,0|1,0,1]=4 668 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [0,2,0,0,0,0|1,0,0]=3 671 B12R1.32 CCNC(=S)NC1=CC=CC=C1 S599166 [0,2,0,0,0,0|1,1,0]=4 672 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 L497142 [0,2,0,0,0,0|2,0,0]=4 673 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 S343471 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.32 CCOC(=O)NC1=CC=CC=C1 S714615 [0,2,0,0,0,0|1,0,0]=3 675 B12R1.32 CCOC(=O)NC1=CC=CC=N1 PH000186 [0,2,0,0,0,0|2,0,0]=4 676 B12R1.32 CCOC(=O)NC1=CN=CC=C1 EME00390 [0,2,0,0,0,0|2,0,0]=4 677 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [0,2,0,0,0,0|0,0,0]=2 678 B12R1.32 CCOC(=S)NC1=CC=CC=C1 S412716 [0,2,0,0,0,0|1,1,0]=4 679 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 R611433 [0,2,0,0,0,0|1,0,0]=3 680 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 S534161 [0,2,0,0,0,0|1,0,0]=3 681 B12R1.32 NCCC(=O)NC1=CC=CC=C1 CBR00894 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 PH000185 [0,2,0,0,0,0|1,0,1]=4 683 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 PH014668 [0,2,0,0,0,0|1,0,0]=3 684 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 T281719 [0,2,0,0,0,0|0,0,0]=2 685 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [0,2,0,0,0,0|1,0,1]=4 687 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [0,2,0,0,0,0|1,0,0]=3 689 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br S700290 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,2,0,0,0,0|1,0,0]=3 693 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,2,0,0,0,0|0,0,0]=2 695 B12R1.50 CNC(=S)NC1=CC(=CC=C1)C PH010051 [0,2,0,0,0,0|1,1,0]=4 696 B12R1.50 CNC(=S)NC1=CC=CC(=C1)F S913731 [0,2,0,0,0,0|1,1,0]=4 697 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [0,2,0,0,0,0|1,0,0]=3 698 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl TMT00606 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)F R822876 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.118 C/N=C(\NC1=CC=CC=C1)/SC S630055 [0,2,0,0,0,0|1,1,0]=4 704 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 PH000278 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.194 O=S(=O)(CCl)CC1=CC=CC=C1 T163902 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.371 CC1=C(C=CC=C1)NC(=O)C#N S898007 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S278939 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S292044 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S378208 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [0,2,0,0,0,0|1,0,0]=3 712 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.371 CNC(=S)NC1=C(C=CC=C1)C PH010050 [0,2,0,0,0,0|1,1,0]=4 716 B12R1.371 CNC(=S)NC1=C(C=CC=C1)Cl PH010055 [0,2,0,0,0,0|1,1,0]=4 717 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,2,0,0,0,0|1,0,0]=3 719 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.371 COC(=O)C[N+]1=CC=CC=C1C R433624 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [0,2,0,0,0,0|1,0,0]=3 722 B12R1.371 COC(=O)NC1=C(C=CC=C1)Cl S634352 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)Cl S898082 [0,2,0,0,0,0|1,0,1]=4 724 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)F S898724 [0,2,0,0,0,0|1,0,1]=4 725 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O S501069 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.371 O=C(CCl)NC1=C(C=CN=C1)O ADE000690 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.371 O=C(CCl)NC1=CC=CN=C1Cl R590096 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.371 O=C(CCl)NC1=CC=CN=C1O ADE000691 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.371 O=C(CCl)OC1=C(C=CC=C1)F PH008803 [0,2,0,0,0,0|0,0,0]=2 733 B12R1.371 O=C(CI)NC1=CC=CC=C1Cl R823252 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.75 C(=O)C1=C(C=CC=C1)OC(=O)C R252476 [0,2,0,0,0,0|0,0,0]=2 736 B12R1.75 C(=O)C1=C(C=CC=C1)OC(C)C CDS002654 [0,2,0,0,0,0|1,0,1]=4 737 B12R1.75 CC(=O)NC1=CC=CC=C1C#N S192295 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.75 CC(=O)OC1=CC=CC=C1C#N PH000056 [0,2,0,0,0,0|0,0,0]=2 739 B12R1.75 CCC1=C(C=CC=C1)NC(=O)C S764914 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.75 CCC1=CC=CC=C1NC(=O)N S641782 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.75 COC1=C(C=CC=C1)CC(=O)N EME00432 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.75 COC1=CC=CC=C1NC(=O)N S352535 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.75 CSC1=C(C=CC=C1)NC(=O)C PH003618 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.75 CSC1=CC=CC=C1CC(=O)O OTV000686 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.75 N#CC1=CC=CC=C1CC(=O)O CDS011719 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C S344311 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl S390119 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Br CDS021152 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.127 CC(=O)NC1=CC(=CC=[N+]1[O-])C PH009059 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.127 CC(=O)NC1=CC(=CN=C1O)I ADE000682 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.127 CC(=O)OC1=CC(=CN=C1I)Br ADE000446 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.127 CC(C)OC1=CC(=CC=C1Br)F CDS023353 [0,2,0,0,0,0|1,0,1]=4 755 B12R1.127 CC1=CC=C(C=C1NC(=O)N)Cl S431354 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.151 CS(=O)(=O)NC1=C(C=CC=C1)Cl T100056 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.151 CS(=O)(=O)NC1=CC=CC=C1O T312002 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.224 CC(=O)NC1=C(C(=CN=C1)I)O ADE000683 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.224 CC(=O)NC1=C(C(=NC=C1)I)O ADE000680 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Br R647888 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.224 CC(=O)NC1=[N+](C(=CC=C1)Br)[O-] PH009399 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.224 CC(=O)NC1=[N+](C(=CC=C1)C)[O-] PH009113 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.224 CC1=C(C(=CC=C1)NC(=O)N)C S536148 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.224 NC(=O)NC1=CC=CC(=C1Cl)Cl S599328 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.1009 CC(=O)NC1=C(C=CC=C1C)Cl R591661 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.1009 CC(=O)NC1=C(C=CC=C1Cl)Cl R646350 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.1009 CC(=O)OC1=C(C=CC=C1C)C S240354 [0,2,0,0,0,0|0,0,0]=2 768 B12R1.1009 CC1=CC=CC(=C1NC(=O)N)Cl S708852 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.101 CC(=O)NC1=CC(=CC(=C1)Cl)Cl R591645 [0,2,0,0,0,0|1,0,0]=3 770 B12R1.101 CC(=O)NC1=CC(=CC(=C1)F)F PH011162 [0,2,0,0,0,0|1,0,0]=3 771 B12R1.101 CC(=O)OC1=CC(=CC(=C1)C)C S34860 [0,2,0,0,0,0|0,0,0]=2 772 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C CDS003331 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.101 NC(=O)NC1=CC(=CC(=C1)Cl)Cl S714992 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.101 O=C(Cl)CC1=CC(=CC(=C1)F)F PH014353 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.101 O=C(O)CC1=CC(=CC(=C1)Cl)F L301000 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.119 CC1=CC(=CC=C1)OS(=O)(=O)N PH008063 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.119 CS(=O)(=O)NC1=CC(=CC=C1)Cl T100072 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.119 NS(=O)(=O)OC1=CC=CC(=C1)Cl PH008056 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.438 C(=O)C1=CC(=CC=C1)OC(=O)C R267635 [0,2,0,0,0,0|0,0,0]=2 780 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO EME00277 [0,2,0,0,0,0|1,0,0]=3 781 B12R1.438 CC(=O)NC1=CC=CC(=C1)CN CDS010992 [0,2,0,0,0,0|1,0,0]=3 782 B12R1.438 CC(=O)OC1=CC(=CC=C1)C#N S344893 [0,2,0,0,0,0|0,0,0]=2 783 B12R1.438 CC(C)OC1=CC=CC(=C1)C=O CDS005989 [0,2,0,0,0,0|1,0,1]=4 784 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [0,2,0,0,0,0|1,1,0]=4 788 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [0,2,0,0,0,0|0,0,0]=2 791 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [0,2,0,0,0,0|1,0,0]=3 792 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,0,1,1,0,0|2,0,0]=4 793 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,1,0,0|1,1,0]=4 794 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,1,0,0|1,1,0]=4 795 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,1,0,0|1,0,1]=4 796 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [1,0,0,1,0,0|1,0,1]=4 797 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,1,0,0|1,1,0]=4 798 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,0]=3 799 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,1,0,1|1,1,0]=4 800 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,0,0,1,0,1|1,0,1]=4 801 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,0,0,1,0,1|1,0,1]=4 802 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,1|2,0,0]=4 803 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,1|0,0,0]=2 804 B12R2.24 O=C1COC2=CC=NC=C2N1 ADE001248 [0,0,0,1,0,1|2,0,0]=4 805 B12R2.24 O=C1COC2=NC=CC=C2N1 ADE001249 [0,0,0,1,0,1|2,0,0]=4 806 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,0,0,1,0,1|1,1,0]=4 807 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [0,0,0,1,0,1|2,0,0]=4 808 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [0,1,0,1,0,0|1,1,0]=4 809 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [0,1,0,1,0,0|1,1,0]=4 810 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,1,0,1,0,0|1,0,0]=3 811 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,1,0,1,0,0|2,0,0]=4 812 B12R2.606 CC1=CC2=NC(=O)CN2C=C1 PH012135 [0,1,0,1,0,0|2,0,0]=4 813 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,1,0,1,0,0|1,0,0]=3 814 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,1,0,1,0,0|1,0,0]=3 816 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,1,0,1,0,0|2,0,0]=4 817 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,1,0,1,0,0|1,0,0]=3 818 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [0,1,0,1,0,0|1,1,0]=4 819 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,1,0,1,0,0|1,1,0]=4 820 B12R2.606 CC1CC2=CC(=CC=C2O1)N CBR00712 [0,1,0,1,0,0|1,0,1]=4 821 B12R2.606 ClC1=CC=C2N=C(OC2=C1)Cl CDS013574 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [0,1,0,1,0,0|2,0,0]=4 823 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [0,1,0,1,0,0|2,0,0]=4 824 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,1,0,1,0,0|1,0,0]=3 826 B12R2.606 O=C1CC2=CC(=CN=C2N1)F ADE001070 [0,1,0,1,0,0|2,0,0]=4 827 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,1,0,1,0,0|1,0,0]=3 828 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,1,0,1,0,0|1,0,0]=3 829 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,1,0,1,0,0|1,1,0]=4 830 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.606 O=C1NC2=NC=C(C=C2O1)Br CDS005180 [0,1,0,1,0,0|2,0,0]=4 832 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,1,0,1,0,0|1,0,0]=3 833 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,1,0,1,0,0|1,1,0]=4 834 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,1,0,1,0,0|1,1,0]=4 835 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,1,0,1,0,0|1,1,0]=4 836 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,1,0,1,0,0|1,1,0]=4 837 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,1,0,1,0,0|2,0,0]=4 838 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,1,0,1,0,0|1,0,0]=3 839 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,1,0,1,0,0|0,1,0]=3 840 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,1,0,1,0,0|2,0,0]=4 841 B12R2.18 C[N+]1=C(SC2=C1C=CC=C2)Cl S764973 [0,1,0,1,0,0|1,1,0]=4 842 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,1,0,1,0,0|1,0,0]=3 843 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,1,0,1,0,0|1,0,0]=3 844 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,1,0,1,0,0|1,0,0]=3 845 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,1,0,1,0,0|1,0,0]=3 846 B12R2.32 CC[N+]1=CC2=CC=CC=C2O1 S617024 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [0,1,0,1,0,0|1,0,0]=3 849 B12R2.32 C[Se]C1=NC2=C(N1)C=CC=C2 S202851 [0,1,0,1,0,0|2,0,0]=4 850 B12R2.32 ClCC1=NC2=C(N1)C=CC=C2 S934852 [0,1,0,1,0,0|2,0,0]=4 851 B12R2.32 ClCC1=NC2=CC=CC=C2O1 CDS016769 [0,1,0,1,0,0|1,0,0]=3 852 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 R700967 [0,1,0,1,0,0|1,0,1]=4 853 B12R2.32 N#CC1=NC2=CC=CC=C2O1 PH009850 [0,1,0,1,0,0|1,0,1]=4 854 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 CDS001804 [0,1,0,1,0,0|2,0,0]=4 855 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 CDS017817 [0,1,0,1,0,0|1,1,0]=4 856 B12R2.32 NCC1=NC2=CC=CC=C2S1 CBR00935 [0,1,0,1,0,0|1,1,0]=4 857 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [0,1,0,1,0,0|2,0,0]=4 858 B12R2.32 OCC1=CC2=NC=CC=C2O1 ADE001139 [0,1,0,1,0,0|2,0,0]=4 859 B12R2.32 OCC1=NC2=C(S1)C=CC=C2 CDS006337 [0,1,0,1,0,0|1,1,0]=4 860 B12R2.32 SCC1=NC2=CC=CC=C2N1 CBR00787 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.95 O=S1(=O)CC2=C(C1)C=CC=C2 T163449 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.202 CC1=CC2=CC=CC(=C2O1)N CBR00813 [0,1,0,1,0,0|1,0,0]=3 863 B12R2.202 CC1=NC2=CC=CC(=C2O1)Br CDS021215 [0,1,0,1,0,0|1,0,0]=3 864 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,1,0,1,0,0|1,0,0]=3 865 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,1,0,1,0,0|1,0,1]=4 866 B12R2.202 O=C1CC2=C(C=CN=C2N1)Cl CDS023561 [0,1,0,1,0,0|2,0,0]=4 867 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [0,1,0,1,0,0|1,0,0]=3 868 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [0,1,0,1,0,0|1,1,0]=4 869 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,0,0,0,2,0|1,0,0]=3 870 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,0,0,0,2,0|2,0,0]=4 871 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,0,0,0,2,0|2,0,0]=4 872 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,0,0,2,0|2,0,0]=4 873 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [0,0,0,0,0,2|2,0,0]=4 874 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,0,0,0,0,2|1,0,0]=3 875 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [0,0,0,0,0,2|1,0,0]=3 876 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,0,0,0,0,2|0,1,0]=3 877 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,0,0,0,0,2|0,1,0]=3 878 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [0,0,0,0,0,2|1,0,0]=3 879 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,0,0,0,0,2|1,0,0]=3 880 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [0,0,0,0,0,2|1,0,0]=3 881 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [0,0,0,0,0,2|0,0,0]=2 882 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [0,0,0,0,0,2|0,0,2]=4 883 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,0,0,0,0,2|2,0,0]=4 884 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,0,0,0,0,2|1,1,0]=4 885 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,0,0,0,0,2|2,0,0]=4 886 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,0,0,0,0,2|2,0,0]=4 887 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [0,0,0,0,0,2|2,0,0]=4 888 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [0,0,0,0,0,2|1,1,0]=4 889 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [0,0,0,0,0,2|1,1,0]=4