0 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl S388254 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)F S500682 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C CBR00068 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.19 N=C(N)CC1=CC(=C(C=C1)F)F PH015013 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)F)F CDS012016 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,0,0,0,0,0|0,0,0]=1 20 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [1,0,0,0,0,0|2,1,0]=4 37 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.157 O=C([O-])C[N+]1=CC=CC(=C1)O PH007028 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.192 C(=O)NC1=CC(=C(C=C1)Cl)Cl S580163 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.192 C/C=N/C1=CC(=C(C=C1)Cl)Cl R466204 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.192 CC1=C(C=C(C=C1)NC=O)Cl S714062 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [1,0,0,0,0,0|1,0,1]=3 61 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [1,0,0,0,0,0|1,0,1]=3 63 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [1,0,0,0,0,0|1,0,2]=4 64 B13R1.35 C(=O)C1=C(C=C(C=C1)OC(=O)C)Cl R539104 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Br S751855 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Cl S752126 [0,1,0,0,0,0|3,0,0]=4 67 B13R1.35 COC1=C(C=C(C=C1)NC(=O)C)Cl S941522 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O S106569 [0,1,0,0,0,0|2,0,0]=3 69 B13R1.35 COC1=CC=C(C=C1F)CC(=N)N PH015019 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.52 CCC1=C(C=CC(=C1)NC(=O)C)Br S751863 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N R871605 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.510 NC(C(=O)O)C1=CC=C(C(=C1)F)F CDS022248 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)Br)C S803685 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)I)C L168319 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)C)O S582514 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)Cl)Cl S558389 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)I)C)C L168114 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.876 CC(=O)NC1=CC(=C(C=C1Br)C)C L168262 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.876 CC(=O)NC1=CC(=C(C=C1C)F)Cl PHB00099 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.876 CC(=O)NC1=CC(=C(C=C1I)C)C L168475 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.876 CC(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl PH009741 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.876 CC(=O)OC1=CC(=C(C=C1Br)C)Br S310026 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.2879 CC1=C(C=C(C=C1)NC(=O)CCl)C S391735 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.2879 CC1=C(C=C(C=C1)NC(=O)CCl)Cl S746592 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.2879 CCC(=O)NC1=CC(=C(C=C1)C)Cl S790990 [0,1,0,0,0,0|3,0,0]=4 88 B13R1.2879 CCC(N)CC1=CC(=C(C=C1)C)O T340685 [0,1,0,0,0,0|2,0,1]=4 89 B13R1.2879 CNC(=O)NC1=CC(=C(C=C1)C)C S650862 [0,1,0,0,0,0|3,0,0]=4 90 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)C S646725 [0,1,0,0,0,0|3,0,0]=4 91 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)Cl S613053 [0,1,0,0,0,0|3,0,0]=4 92 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)C)Cl S891975 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)Cl)Cl S725323 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)Cl PH003559 [0,1,0,0,0,0|1,0,0]=2 95 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)C T168629 [0,1,0,0,0,0|3,0,0]=4 96 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)Cl S625159 [0,1,0,0,0,0|3,0,0]=4 97 B13R1.2879 COC(=O)NC1=CC=C(C(=C1)Cl)Cl S606448 [0,1,0,0,0,0|3,0,0]=4 98 B13R1.2879 NCC(=O)NC1=CC=C(C(=C1)F)F CDS010690 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.2879 O=C(CBr)NC1=CC(=C(C=C1)F)Cl R763136 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.2879 O=C(CCl)NC1=CC(=C(C=C1)Cl)Cl S188921 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.2879 O=C(CCl)NC1=CC(=C(C=C1)Cl)Cl S746584 [0,1,0,0,0,0|3,0,0]=4 102 B13R1.2879 O=C(CCl)NC1=CC=C(C(=C1)Cl)F JRD0742 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.2879 O=C(CCl)NC1=CC=C(C(=C1)Cl)F TMT00145 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Br)C)C L168130 [0,1,0,0,0,0|3,0,0]=4 105 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)C)Br)C S931926 [0,1,0,0,0,0|3,0,0]=4 106 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Cl)Cl)Cl S558451 [0,1,0,0,0,0|3,0,0]=4 107 B13R1.3528 CC(=O)NC1=CC=C(C(=C1C)C)I L168181 [0,1,0,0,0,0|3,0,0]=4 108 B13R1.3528 O=C(O)CC1=CC=C(C(=C1F)F)F CDS021465 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.3763 CC(=O)NC1=CC(=C(C(=C1)C)Br)C L168122 [0,1,0,0,0,0|3,0,0]=4 110 B13R1.3763 CC(=O)NC1=CC(=C(C(=C1)F)F)F ANV00338 [0,1,0,0,0,0|3,0,0]=4 111 B13R1.3763 CC(=O)OC1=CC(=C(C(=C1)Br)C)Br S309982 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.3763 CC(=O)OC1=CC(=C(C(=C1)Br)C)Br S322679 [0,1,0,0,0,0|3,0,0]=4 113 B13R1.3763 CC1=CC(=CC(=C1O)C)CN(C)C PH008927 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.3763 CN(C)CC1=CC(=C(C(=C1)Cl)O)Cl PH014631 [0,1,0,0,0,0|3,0,0]=4 115 B13R1.3763 O=C(O)CC1=CC(=C(C(=C1)F)F)F CDS003147 [0,1,0,0,0,0|3,0,0]=4 116 B13R2.3050 CC1=CC2=C(C(=CC=C2N1)O)F CDS009038 [0,0,0,1,0,0|3,0,0]=4 117 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)Cl)F PH000521 [0,0,0,1,0,0|3,0,0]=4 118 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)F)F PH011279 [0,0,0,1,0,0|3,0,0]=4 119 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [0,0,0,0,1,0|3,0,0]=4 120 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,0,0,0,1,0|2,0,0]=3 121 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,0,0,0,1,0|0,0,0]=1 122 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,0,0,0,1,0|1,0,0]=2 123 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,0,0,0,1,0|2,0,0]=3 124 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,0,0,0,1,0|2,0,0]=3 125 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [0,0,0,0,1,0|2,0,1]=4 126 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,0,0,0,1,0|3,0,0]=4 127 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,0,0,0,1,0|3,0,0]=4 128 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [0,0,0,0,1,0|3,0,0]=4 130 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,0,0,0,1,0|3,0,0]=4 131 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,0,0,0,1,0|3,0,0]=4 132 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,0,0,0,1,0|1,1,0]=3 133 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,0,0,0,1,0|2,0,0]=3 134 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)Br SYX00192 [0,0,0,0,1,0|3,0,0]=4 135 B13R1.511 CC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl PH003269 [0,0,0,0,0,1|2,0,1]=4 136 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O PH008620 [0,0,0,0,0,1|1,0,1]=3 137 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Br T303011 [0,0,0,0,0,1|3,0,0]=4 138 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)Cl R343048 [0,0,0,0,0,1|3,0,0]=4 139 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [0,0,0,0,0,1|3,0,0]=4 140 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O PH013462 [0,0,0,0,0,1|2,0,0]=3 141 B13R1.511 O=C(O)CSC1=CC=C(C(=C1)Cl)Cl R538639 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [2,0,0,0,0,0|1,0,0]=3 144 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [2,0,0,0,0,0|1,0,1]=4 145 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.1 COCC1=CC=C(C=C1)O S392596 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|1,0,0]=3 151 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [2,0,0,0,0,0|1,0,0]=3 153 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [2,0,0,0,0,0|0,0,1]=3 169 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [2,0,0,0,0,0|1,0,0]=3 172 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [2,0,0,0,0,0|1,0,0]=3 176 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [2,0,0,0,0,0|1,0,0]=3 181 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [2,0,0,0,0,0|1,0,1]=4 183 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [1,1,0,0,0,0|1,0,0]=3 184 B12R1.4 CC(=O)NC1=CC=C(C=C1)[Hg]Cl S881155 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.4 CC(=O)OC1=CC=C(C=C1)C#N PH011683 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [1,1,0,0,0,0|1,1,0]=4 192 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Br S838691 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N R750425 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S278947 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S390305 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [1,1,0,0,0,0|1,0,1]=4 215 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [1,1,0,0,0,0|1,0,0]=3 216 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [1,1,0,0,0,0|1,0,0]=3 217 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [1,1,0,0,0,0|1,0,0]=3 218 B12R1.49 COC(=O)CC1=CC=C(C=N1)Br PHB00159 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.49 COC(=O)C[N+]1=CC=C(C=C1)C S225843 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [1,1,0,0,0,0|1,0,1]=4 223 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Br PH011084 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Cl PH010742 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S188883 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S407488 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F S728950 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I S878219 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.49 O=C(CI)NC1=CC=C(C=C1)Br S399272 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.49 O=C(CS)NC1=CC=C(C=C1)F OTV001006 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)Cl PH009147 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [1,1,0,0,0,0|1,0,0]=3 234 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br S700290 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl TMT00606 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)F R822876 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.101 CC(=O)NC1=CC(=CC(=C1)Cl)Cl R591645 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.101 CC(=O)NC1=CC(=CC(=C1)F)F PH011162 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.101 CC(=O)OC1=CC(=CC(=C1)C)C S34860 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C CDS003331 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.101 O=C(Cl)CC1=CC(=CC(=C1)F)F PH014353 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.101 O=C(O)CC1=CC(=CC(=C1)Cl)F L301000 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C S344311 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl S390119 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [1,1,0,0,0,0|2,0,0]=4 269 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Br CDS021152 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.127 CN(C)CC1=CC(=CC=C1Br)O CDS022289 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Br R647888 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [1,1,0,0,0,0|1,0,1]=4 273 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)Cl S559024 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.438 C(=O)C1=CC(=CC=C1)OC(=O)C R267635 [1,1,0,0,0,0|1,0,1]=4 277 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO EME00277 [1,1,0,0,0,0|1,0,0]=3 278 B12R1.438 CC(=O)NC1=CC=CC(=C1)CN CDS010992 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.438 CC(=O)OC1=CC(=CC=C1)C#N S344893 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [1,1,0,0,0,0|1,0,0]=3 282 B12R1.438 COC1=CC(=CC=C1)CN(C)N PH013329 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [1,1,0,0,0,0|1,1,0]=4 285 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [1,1,0,0,0,0|1,0,0]=3 286 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [1,1,0,0,0,0|1,0,0]=3 287 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [1,1,0,0,0,0|1,0,0]=3 288 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [1,1,0,0,0,0|1,1,0]=4 289 B12R1.286 CCCC1=CC=C(C(=C1)C=O)O ASX00135 [1,1,0,0,0,0|0,0,2]=4 290 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [1,1,0,0,0,0|1,0,1]=4 291 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [1,1,0,0,0,0|0,0,1]=3 292 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [1,1,0,0,0,0|0,0,2]=4 293 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [1,1,0,0,0,0|1,0,1]=4 294 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [1,1,0,0,0,0|1,0,1]=4 295 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [1,1,0,0,0,0|0,0,1]=3 296 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)O)O PH006902 [0,1,0,0,1,0|2,0,0]=4 297 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [0,1,0,0,1,0|1,0,0]=3 298 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [0,1,0,0,1,0|2,0,0]=4 299 B12R1.48 COC1=C(C=C(N=C1)C(=O)O)O CBR02407 [0,1,0,0,1,0|2,0,0]=4 300 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [0,1,0,0,1,0|2,0,0]=4 301 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [0,1,0,0,1,0|2,0,0]=4 302 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [0,1,0,0,1,0|1,1,0]=4 303 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [0,1,0,0,1,0|2,0,0]=4 304 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [0,1,0,0,1,0|2,0,0]=4 305 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [0,1,0,0,1,0|2,0,0]=4 306 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,1,0,0,1,0|2,0,0]=4 307 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,1,0,0,1,0|1,0,0]=3 308 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,1,0,0,1,0|2,0,0]=4 309 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,1,0,0,1,0|2,0,0]=4 310 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,1,0,0,1,0|1,0,0]=3 311 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,1,0,0,1,0|2,0,0]=4 312 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,1,0,0,1,0|1,0,0]=3 313 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,1,0,0,1,0|1,0,0]=3 314 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,1,0,0,1,0|2,0,0]=4 315 B12R1.893 O=C(O)C1=CC=C(C(=C1F)F)O CDS008686 [0,1,0,0,1,0|2,0,0]=4 316 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl IDF00024 [0,1,0,0,1,0|1,0,0]=3 317 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O PH000053 [0,1,0,0,1,0|2,0,0]=4 318 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)Br S843792 [0,1,0,0,1,0|1,0,0]=3 319 B12R1.1005 O=C([O-])C1=CC(=C(C(=C1)O)O)O CDS018059 [0,1,0,0,1,0|1,0,0]=3 320 B14R1.685 CC(=O)CC(=O)C1=CC(=C(C=C1)C)C PH011723 [0,1,0,0,0,1|2,0,0]=4 321 B14R1.685 CC(=O)CC(=O)C1=CC=C(C(=C1)Cl)Cl PH002890 [0,1,0,0,0,1|2,0,0]=4 322 B14R1.685 CC(C)CC(=O)C1=CC=C(C(=C1)O)O PH008907 [0,1,0,0,0,1|1,0,1]=4 323 B14R1.833 COC(=O)COC1=CC(=C(C=C1)N)C CDS021038 [0,1,0,0,0,1|2,0,0]=4 324 B14R1.833 O=C(CCl)NCC1=CC=C(C(=C1)Cl)Cl PH010566 [0,1,0,0,0,1|2,0,0]=4 325 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br S102350 [0,1,0,0,0,1|2,0,0]=4 326 B14R1.3653 COC1=CC=C(C=C1C)CCC(=O)O S953792 [0,1,0,0,0,1|2,0,0]=4 327 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)O CDS006461 [0,1,0,0,0,1|1,0,0]=3 328 B14R1.6036 CC(=O)NCC1=C(C=C(C(=C1)C)C)C S356654 [0,1,0,0,0,1|2,0,0]=4 329 B14R1.15552 CC(=O)CCC1=CC(=C(C(=C1)C)O)C S290920 [0,1,0,0,0,1|1,0,0]=3 330 B14R1.140 CCOC1=C(C=C(C=C1)NC(=O)C)N S572012 [0,2,0,0,0,0|2,0,0]=4 331 B14R1.3276 COC1=C(C=C(C=C1)NC(=O)CCl)Cl TMT00610 [0,2,0,0,0,0|2,0,0]=4 332 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC S568880 [0,2,0,0,0,0|1,0,0]=3 333 B14R1.3651 COC1=CC=C(C=C1OC)CC(=N)N CBR01118 [0,2,0,0,0,0|2,0,0]=4 334 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)N CDS011402 [0,2,0,0,0,0|1,0,0]=3 335 B14R1.3651 COC1=CC=C(C=C1OC)CN(C)N PH007610 [0,2,0,0,0,0|2,0,0]=4 336 B14R1.3652 COC1=C(C=C(C=C1)C(O)C(=O)O)Cl L128597 [0,2,0,0,0,0|2,0,0]=4 337 B14R1.3652 COC1=CC=C(C=C1Br)[C@@H](N)C(=O)O PH015961 [0,2,0,0,0,0|2,0,0]=4 338 B14R1.5801 CC(=O)NC1=CC=C(C(=C1)N)C(=O)O CDS002302 [0,2,0,0,0,0|2,0,0]=4 339 B14R1.5801 CC(=O)OC1=CC(=C(C=C1)C(=O)C)O S809209 [0,2,0,0,0,0|1,0,1]=4 340 B14R1.439 C=CCC1=C(C=CC(=C1)NC(=O)C)O PH007840 [0,2,0,0,0,0|2,0,0]=4 341 B14R1.705 CC(=O)NC1=CC=C(C(=C1)[N+](=O)[O-])O PH007188 [0,2,0,0,0,0|1,0,1]=4 342 B14R1.705 CC(=O)OC1=CC=C(C(=C1)C(=O)C)O IDF00012 [0,2,0,0,0,0|1,0,1]=4 343 B14R1.3405 COC(=O)CC1=CC(=C(C=C1)O)C=O ASX00122 [0,2,0,0,0,0|0,0,1]=3 344 B14R1.3405 COC(=O)CC1=CC=C(C(=C1)OC)O PH003466 [0,2,0,0,0,0|0,0,0]=2 345 B14R1.3143 CC(=O)NC1=C(C=C(C(=C1Br)O)Br)Br R787639 [0,2,0,0,0,0|2,0,0]=4 346 B14R1.3143 CC(=O)NC1=C(C=C(C(=C1Cl)O)Cl)Cl PH005439 [0,2,0,0,0,0|2,0,0]=4 347 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [1,0,0,1,0,0|2,0,0]=4 348 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [1,0,0,1,0,0|2,0,0]=4 349 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [1,0,0,1,0,0|1,0,1]=4 350 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [1,0,0,1,0,0|1,0,0]=3 351 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [1,0,0,1,0,0|2,0,0]=4 352 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [1,0,0,1,0,0|2,0,0]=4 353 B12R2.82 CC1=C(C2=C(C=C1)CCC2)O T164534 [1,0,0,1,0,0|1,0,1]=4 354 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [1,0,0,1,0,0|1,0,1]=4 355 B14R2.8239 CC1=C(C=C2CCC(=O)CC2=C1)Br PH018806 [0,0,0,1,0,1|2,0,0]=4 356 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)OCO2 S55353 [0,1,0,1,0,0|1,0,0]=3 357 B14R2.1008 CC(=S)NC1=CC2=C(C=C1)OCO2 S170100 [0,1,0,1,0,0|1,1,0]=4 358 B14R2.1008 NC(=O)NC1=CC=C2OCOC2=C1 S732141 [0,1,0,1,0,0|2,0,0]=4 359 B14R2.1008 O=C(O)CC1=CC=C2OC=NC2=C1 CDS011125 [0,1,0,1,0,0|2,0,0]=4 360 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,0,0,0,1,0|2,0,0]=4 361 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,0,0,0,1,0|2,0,0]=4 362 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,0,0,0,1,0|2,0,0]=4 363 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,0,0,0,1,0|2,0,0]=4 364 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,0,0,0,1,0|2,0,0]=4 365 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,0,0,0,1,0|2,0,0]=4 366 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,0,0,0,1,0|2,0,0]=4 367 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,0,0,0,1,0|2,0,0]=4 368 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,0,0,0,1,0|1,1,0]=4 369 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,0,0,0,1,0|2,0,0]=4 370 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,0,0,0,1,0|2,0,0]=4 371 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,0,0,0,1,0|2,0,0]=4 372 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,0,0,0,1,0|2,0,0]=4 373 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,0,0,0,1,0|2,0,0]=4 374 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [1,0,0,0,1,0|2,0,0]=4 375 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,0,0,0,1,0|2,0,0]=4 376 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [1,0,0,0,1,0|1,0,1]=4 377 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [1,0,0,0,1,0|2,0,0]=4 378 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,0,0,0,1,0|2,0,0]=4 379 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,0,0,0,1,0|2,0,0]=4 380 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [1,0,0,0,1,0|2,0,0]=4 381 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [1,0,0,0,1,0|2,0,0]=4 382 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [1,0,0,0,1,0|2,0,0]=4 383 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [1,0,0,0,0,1|1,0,0]=3 384 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [1,0,0,0,0,1|1,0,1]=4 385 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [1,0,0,0,0,1|1,0,1]=4 386 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [1,0,0,0,0,1|0,0,1]=3 387 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [1,0,0,0,0,1|1,0,0]=3 388 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [1,0,0,0,0,1|1,0,0]=3 389 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [1,0,0,0,0,1|1,0,0]=3 390 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [1,0,0,0,0,1|1,0,1]=4 391 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [1,0,0,0,0,1|2,0,0]=4 392 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [1,0,0,0,0,1|2,0,0]=4 393 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [1,0,0,0,0,1|2,0,0]=4 394 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [1,0,0,0,0,1|1,0,0]=3 395 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [1,0,0,0,0,1|2,0,0]=4 396 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [1,0,0,0,0,1|2,0,0]=4 397 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [1,0,0,0,0,1|2,0,0]=4 398 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [1,0,0,0,0,1|2,0,0]=4 399 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [1,0,0,0,0,1|1,0,0]=3 400 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [1,0,0,0,0,1|2,0,0]=4 401 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [1,0,0,0,0,1|2,0,0]=4 402 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [1,0,0,0,0,1|2,0,0]=4 403 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [1,0,0,0,0,1|1,0,0]=3 404 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [1,0,0,0,0,1|2,0,0]=4