0 B13R1.585 CC(=O)C1=CC=C(C=C1)NC(=O)N S730688 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.585 CC(=O)NC1=CC=C(C=C1)N(C)C S875422 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.585 CC(=O)NC1=CC=C(C=C1)S(=O)O S436135 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.585 CC(=O)NC1=CC=C(C=N1)B(O)O BML00199 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C S412341 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=S)N BOG00005 [0,0,0,0,0,0|2,1,0]=3 6 B13R1.585 CC(=O)SC1=CC=C(C=C1)[N+](=O)[O-] S888524 [0,0,0,0,0,0|2,0,1]=3 7 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O PH011464 [0,0,0,0,0,0|2,0,1]=3 8 B13R1.585 CC(C)NC1=CC=C(C=C1)[N+](=O)[O-] VBP00002 [0,0,0,0,0,0|2,0,2]=4 9 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)Cl PH010629 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)N EME00442 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.585 CN(C)CC1=CC=C(C=N1)C(=O)O PH015694 [0,0,0,0,0,0|4,0,0]=4 12 B13R1.585 NC(=O)C1=CC=C(C=C1)CC(=O)O CDS024501 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.585 NC(=O)NC1=CC=C(C=C1)C(=O)O PH009934 [0,0,0,0,0,0|1,0,0]=1 14 B13R1.585 NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] PH011650 [0,0,0,0,0,0|2,0,1]=3 15 B13R1.585 NC(=S)NC1=CC=C(C=C1)C(=O)O S194956 [0,0,0,0,0,0|1,1,0]=2 16 B13R1.585 O=C(O)CC1=CC=C(C=C1)B(O)O BML00248 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.4 C(=O)C1=CC=C(C=C1)C=C(Br)Br T304247 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)C CDS014228 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.4 C=CC1=CN=C(C=C1)NC(=O)C PH016842 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [1,0,0,0,0,0|0,0,1]=2 21 B12R1.4 CC(=O)NC1=CC=C(C=C1)[Hg]Cl S881155 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.4 CC(=O)OC1=CC=C(C=C1)C#N PH011683 [1,0,0,0,0,0|2,0,1]=4 23 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O CDS000461 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [1,0,0,0,0,0|1,0,1]=3 25 B12R1.4 CCC1=CC=C(C=C1)NC(=O)N S639788 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [1,0,0,0,0,0|2,0,0]=3 28 B12R1.4 CSC1=CC=C(C=C1)NC(=O)N S892882 [1,0,0,0,0,0|3,0,0]=4 29 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N CDS011984 [1,0,0,0,0,0|2,0,1]=4 30 B12R1.113 C(=O)NC1=CC=C(C=C1)N(C)C T288748 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.113 C=CCC1=CC=C(C=C1)C(=O)O CDS019298 [1,0,0,0,0,0|1,0,1]=3 32 B12R1.113 CC(=O)C1=CC=C(C=C1)NC=O S921378 [1,0,0,0,0,0|1,0,0]=2 33 B12R1.113 CCNC1=NC=C(C=N1)C(=O)O CBR00496 [1,0,0,0,0,0|2,0,1]=4 34 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CDS010146 [1,0,0,0,0,0|2,0,1]=4 35 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O OTV000788 [1,0,0,0,0,0|2,0,0]=3 37 B14R1.124 CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C S751901 [0,1,0,0,0,0|1,0,1]=3 38 B14R1.124 CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])F S774189 [0,1,0,0,0,0|1,0,1]=3 39 B14R1.124 CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])I L168297 [0,1,0,0,0,0|1,0,1]=3 40 B14R1.414 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C S916854 [0,1,0,0,0,0|2,0,0]=3 41 B14R1.414 CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C PH009144 [0,1,0,0,0,0|3,0,0]=4 42 B14R1.414 CS(=O)(=O)CC1=CC=C(C=C1)C(=O)O OTV000787 [0,1,0,0,0,0|2,0,0]=3 43 B14R1.414 CS(=O)(=O)NC1=CC=C(C=C1)[N+](=O)[O-] S716030 [0,1,0,0,0,0|2,0,1]=4 44 B14R1.717 CC(=O)NC1=CC=C(C=C1)/C(=N/O)/N PH014887 [0,1,0,0,0,0|1,0,0]=2 45 B14R1.717 CCC(=O)C1=CC=C(C=C1)NC(=O)C S624128 [0,1,0,0,0,0|1,0,0]=2 46 B14R1.717 CCC(C)C1=CC=C(C=C1)NC(=O)C R591653 [0,1,0,0,0,0|2,0,1]=4 47 B14R1.717 COC(=O)C1=CC=C(C=C1)CC(=O)C PH016802 [0,1,0,0,0,0|1,0,0]=2 48 B14R1.717 COC(=O)C1=CC=C(C=C1)NC(=O)C PH006900 [0,1,0,0,0,0|0,0,0]=1 49 B14R1.806 CC(=O)NC1=CC=C(C=C1)C(C)(C)C S914487 [0,1,0,0,0,0|2,0,1]=4 50 B14R1.806 CC(=O)NC1=CC=C(C=C1)C(F)(F)F S782149 [0,1,0,0,0,0|2,0,1]=4 51 B14R1.806 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C S373621 [0,1,0,0,0,0|1,0,1]=3 52 B14R1.806 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)F S431419 [0,1,0,0,0,0|1,0,1]=3 53 B14R1.806 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N PH011168 [0,1,0,0,0,0|1,0,1]=3 54 B14R1.806 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[S-] S984655 [0,1,0,0,0,0|1,0,1]=3 55 B14R1.806 CC(=O)NC1=NC=C(C=C1)S(=O)(=O)O S387282 [0,1,0,0,0,0|2,0,0]=3 56 B14R1.806 N=C(N)NC1=CC=C(C=C1)S(=O)(=O)O PH008495 [0,1,0,0,0,0|3,0,0]=4 57 B14R1.806 O=C([O-])CC1=CC=C(C=C1)S(=O)(=O)O S636754 [0,1,0,0,0,0|3,0,0]=4 58 B14R1.2879 CC(=O)C1=CC=C(C=C1)NC(=O)C#N S744255 [0,1,0,0,0,0|1,0,1]=3 59 B14R1.2879 CC(=O)C1=CC=C(C=C1)NC(=O)CI R871273 [0,1,0,0,0,0|1,0,0]=2 60 B14R1.2879 CC(=O)C1=CC=C(C=C1)NC(=S)NN PH007089 [0,1,0,0,0,0|2,1,0]=4 61 B14R1.2879 CC(C)C1=CC=C(C=C1)NC(=O)CCl S188824 [0,1,0,0,0,0|2,0,1]=4 62 B14R1.2879 CCC(=O)NC1=CC=C(C=C1)C(=O)C S729825 [0,1,0,0,0,0|1,0,0]=2 63 B14R1.2879 CCC(=O)NC1=CC=C(C=C1)C(=O)O CDS020847 [0,1,0,0,0,0|0,0,0]=1 64 B14R1.2879 CNC(=O)NC1=CC=C(C=C1)C(C)C S282871 [0,1,0,0,0,0|2,0,1]=4 65 B14R1.2879 CNC(=O)OC1=CC=C(C=C1)C(=O)C S855073 [0,1,0,0,0,0|2,0,0]=3 66 B14R1.2879 CNC(=S)NC1=CC=C(C=C1)C(=O)C S917060 [0,1,0,0,0,0|1,1,0]=3 67 B14R1.2879 COC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] PH010959 [0,1,0,0,0,0|2,0,1]=4 68 B14R1.2879 NC(=O)C1=CC=C(C=C1)NC(=O)CCl R996513 [0,1,0,0,0,0|1,0,0]=2 69 B14R1.2879 O=C(CCl)NC1=CC=C(C=C1)[N+](=O)[O-] S379832 [0,1,0,0,0,0|1,0,1]=3 70 B14R1.2879 O=C(CCl)OC1=CC=C(C=C1)[N+](=O)[O-] S396036 [0,1,0,0,0,0|2,0,1]=4 71 B14R1.5801 CC(=O)NC1=CC=C(C(=C1)N)C(=O)O CDS002302 [0,1,0,0,0,0|0,0,0]=1 72 B14R1.5801 CC(=O)NC1=NC(=C(C=C1)[N+](=O)[O-])C S802093 [0,1,0,0,0,0|2,0,1]=4 73 B14R1.5801 CC(=O)OC1=CC(=C(C=C1)C(=O)C)O S809209 [0,1,0,0,0,0|2,0,0]=3 74 B14R1.6402 CC(=O)N(C)C1=CC=C(C=C1)[N+](=O)[O-] S197165 [0,1,0,0,0,0|1,0,1]=3 75 B14R1.6402 CC(=O)N(C)C1=CC=C(C=N1)[N+](=O)[O-] PH010450 [0,1,0,0,0,0|2,0,1]=4 76 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)O2 OTV000644 [0,0,0,1,0,0|2,0,0]=3 77 B14R2.601 CC1=CC2=CC(=CC=C2O1)C(=O)O CDS005661 [0,0,0,1,0,0|2,0,0]=3 78 B14R2.601 CC1=CN2C=CC(=CC2=N1)C(=O)O CDS023673 [0,0,0,1,0,0|3,0,0]=4 79 B14R2.601 CC1=NC2=C(N1)C=CC(=C2)C(=O)O PH005188 [0,0,0,1,0,0|1,0,0]=2 80 B14R2.601 CC1=NC2=C(O1)C=C(C=C2)C(=O)O CDS009436 [0,0,0,1,0,0|0,0,2]=3 81 B14R2.601 CC1=NC2=CC=C(C=C2S1)C(=O)O CDS014069 [0,0,0,1,0,0|0,1,1]=3 82 B14R2.601 CC1CC2=CC(=CC=C2O1)C(=O)O CDS014711 [0,0,0,1,0,0|2,0,1]=4 83 B14R2.601 NC1=NC2=C(S1)C=C(C=C2)C(=O)O L481106 [0,0,0,1,0,0|1,1,1]=4 84 B14R2.601 O=C(O)C1=CC=C2N=C(NC2=C1)S CDS016500 [0,0,0,1,0,0|1,1,1]=4 85 B14R2.601 O=C(O)C1=CC=C2NC(=NC2=C1)S CDS000151 [0,0,0,1,0,0|1,1,0]=3 86 B14R2.601 O=C1NC2=C(S1)C=C(C=C2)[N+](=O)[O-] R587567 [0,0,0,1,0,0|2,0,1]=4 87 B14R2.601 O=C1NC2=CC=C(C=C2O1)C(=O)O PH006842 [0,0,0,1,0,0|1,0,0]=2 88 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)N ANV00310 [0,0,0,0,1,0|1,0,0]=2 89 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CDS001469 [0,0,0,0,1,0|2,0,1]=4 90 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)N PH013768 [0,0,0,0,1,0|2,0,1]=4 91 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C CDS000325 [0,0,0,0,1,0|3,0,0]=4 92 B12R1.256 CC(Br)C1=CC=C(C=C1)C(=O)O S621269 [0,0,0,0,1,0|1,0,1]=3 93 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N EME00441 [0,0,0,0,1,0|3,0,0]=4 94 B12R1.256 CN(C)C1=NC=C(C=C1)C(=O)O CBR01958 [0,0,0,0,1,0|3,0,0]=4 95 B12R1.256 CS(=O)C1=CC=C(C=C1)B(O)O CDS001613 [0,0,0,0,1,0|2,0,1]=4 96 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=O)O CDS004491 [0,0,0,0,1,0|1,0,0]=2 97 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] S175684 [0,0,0,0,1,0|2,0,0]=3 98 B12R1.256 O=C(S)C1=CC=C(C=C1)C(=O)S S427888 [0,0,0,0,1,0|1,1,0]=3 99 B12R1.389 CC(=O)NC1=NC(=CS1)C(=O)O CDS001632 [0,0,0,0,1,0|2,0,0]=3 100 B12R1.389 CC(=O)NC1=NC=C(S1)C(=O)O SYX00385 [0,0,0,0,1,0|2,0,0]=3 101 B14R1.419 C=C(C)COC1=CC=C(C=C1)C(=O)C OTV000757 [0,0,0,0,0,1|3,0,0]=4 102 B14R1.419 CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C PH008859 [0,0,0,0,0,1|2,0,1]=4 103 B14R1.419 CC(=O)C1=CC=C(C=C1)NCC(=O)O T120731 [0,0,0,0,0,1|2,0,0]=3 104 B14R1.419 CC(=O)COC1=CC=C(C=C1)[N+](=O)[O-] R261998 [0,0,0,0,0,1|2,0,1]=4 105 B14R1.419 CC(=O)NCC1=CC=C(C=C1)B(O)O CDS005489 [0,0,0,0,0,1|1,0,1]=3 106 B14R1.419 CC(=O)NSC1=CC=C(C=C1)[N+](=O)[O-] S187755 [0,0,0,0,0,1|1,0,1]=3 107 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(=O)O PH011524 [0,0,0,0,0,1|1,0,0]=2 108 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(=S)N BOG00235 [0,0,0,0,0,1|2,1,0]=4 109 B14R1.419 CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] S562262 [0,0,0,0,0,1|2,0,1]=4 110 B14R1.419 NC(=O)C1=CC=C(C=C1)NCC(=O)O L202185 [0,0,0,0,0,1|2,0,0]=3 111 B14R1.419 NC(=O)COC1=CC=C(C=C1)C(=O)O CDS011498 [0,0,0,0,0,1|2,0,0]=3 112 B14R1.419 O=C(O)CSC1=CC=C(C=C1)C(=O)O R586900 [0,0,0,0,0,1|2,0,0]=3 113 B14R1.805 CC(=O)NC1=CC=C(C=C1)CC(=O)O PH011778 [0,0,0,0,0,1|0,0,0]=1 114 B14R1.805 CC(=O)NC1=CC=C(C=C1)NC(=O)C S669490 [0,0,0,0,0,1|1,0,0]=2 115 B14R1.805 CC(=O)NC1=CC=C(C=C1)OC(=O)C S987220 [0,0,0,0,0,1|1,0,0]=2 116 B14R1.805 CC(=O)NC1=CC=C(C=C1)SC(=O)C S559849 [0,0,0,0,0,1|1,0,0]=2 117 B14R1.805 CC(=O)OC1=CC=C(C=C1)CC(=O)O PH008311 [0,0,0,0,0,1|1,0,0]=2 118 B14R1.805 CC(C)CC1=CC=C(C=C1)CC(=O)O PH009707 [0,0,0,0,0,1|2,0,1]=4 119 B14R1.805 O=C(Cl)OC1=CC=C(C=C1)OC(=O)Cl S889245 [0,0,0,0,0,1|3,0,0]=4 120 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [2,0,0,0,0,0|2,0,0]=4 121 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [2,0,0,0,0,0|2,0,0]=4 122 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [2,0,0,0,0,0|1,0,0]=3 123 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [2,0,0,0,0,0|1,0,0]=3 124 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [2,0,0,0,0,0|1,0,0]=3 125 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [2,0,0,0,0,0|0,0,1]=3 126 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [2,0,0,0,0,0|2,0,0]=4 127 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [2,0,0,0,0,0|1,0,1]=4 128 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [2,0,0,0,0,0|1,0,1]=4 129 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [2,0,0,0,0,0|1,0,1]=4 130 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [2,0,0,0,0,0|2,0,0]=4 131 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [2,0,0,0,0,0|2,0,0]=4 132 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [2,0,0,0,0,0|2,0,0]=4 133 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [2,0,0,0,0,0|1,0,1]=4 134 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [2,0,0,0,0,0|1,0,1]=4 135 B11R1.3 CNC1=NC=C(C=N1)C(=O)O CBR00047 [2,0,0,0,0,0|2,0,0]=4 136 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [2,0,0,0,0,0|2,0,0]=4 137 B13R1.5 C=CC1=CC=C(C=C1)CC(=O)OC PH008533 [1,1,0,0,0,0|2,0,0]=4 138 B13R1.5 CCC(=O)NC1=CC=C(C=C1)C#N EME00296 [1,1,0,0,0,0|1,0,1]=4 139 B13R1.5 CCC(=O)NC1=CC=C(C=C1)OC R131504 [1,1,0,0,0,0|2,0,0]=4 140 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O PH015230 [1,1,0,0,0,0|1,0,0]=3 141 B13R1.5 CCC1=CC=C(C=C1)NC(=O)CCl S188816 [1,1,0,0,0,0|1,0,1]=4 142 B13R1.5 CCC1=CC=C(C=C1)NC(=O)CCl S678600 [1,1,0,0,0,0|1,0,1]=4 143 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC S623644 [1,1,0,0,0,0|2,0,0]=4 144 B13R1.5 COC(=O)NC1=CC=C(C=C1)OC S640476 [1,1,0,0,0,0|2,0,0]=4 145 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S188832 [1,1,0,0,0,0|2,0,0]=4 146 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S380121 [1,1,0,0,0,0|2,0,0]=4 147 B13R1.5 N#CC1=CC=C(C=C1)NC(=O)CCl R822892 [1,1,0,0,0,0|1,0,1]=4 148 B13R1.35 C(=O)C1=C(C=C(C=C1)OC(=O)C)Cl R539104 [1,1,0,0,0,0|1,0,0]=3 149 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Br S751855 [1,1,0,0,0,0|1,0,1]=4 150 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Cl S752126 [1,1,0,0,0,0|1,0,1]=4 151 B13R1.35 COC1=C(C=C(C=C1)NC(=O)C)Cl S941522 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.142 CC(=O)NC1=CC=C(C=C1)/C=N/O S572195 [1,1,0,0,0,0|0,0,0]=2 153 B13R1.142 CC(=O)NC1=CC=C(C=C1)CC#N PH010666 [1,1,0,0,0,0|1,0,1]=4 154 B13R1.142 CC(=O)OC1=CC=C(C=C1)/C=N/O PH002744 [1,1,0,0,0,0|1,0,0]=3 155 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C PH011098 [1,1,0,0,0,0|2,0,0]=4 156 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)N CDS004189 [1,1,0,0,0,0|2,0,0]=4 157 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)O S671819 [1,1,0,0,0,0|2,0,0]=4 158 B13R1.74 C(=O)NNC1=CC=C(C=C1)[N+](=O)[O-] S984086 [1,1,0,0,0,0|1,0,1]=4 159 B13R1.74 CC(=O)C1=CC=C(C=C1)NCCO ANV00343 [1,1,0,0,0,0|1,0,1]=4 160 B13R1.74 CCOCC1=CC=C(C=C1)C(=O)O S283428 [1,1,0,0,0,0|1,0,1]=4 161 B13R1.74 CNCCC1=CC=C(C=C1)C(=O)O PH013543 [1,1,0,0,0,0|1,0,1]=4 162 B13R1.74 COCOC1=CC=C(C=C1)C(=O)O CBR02123 [1,1,0,0,0,0|1,0,1]=4 163 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCBr PH002103 [1,1,0,0,0,0|1,0,1]=4 164 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCCl PH002310 [1,1,0,0,0,0|1,0,1]=4 165 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCO PH003001 [1,1,0,0,0,0|1,0,1]=4 166 B13R1.139 COC(=O)C1=CC=C(C=C1)NC=O PH006846 [1,1,0,0,0,0|0,0,0]=2 167 B13R1.144 CC1=C(C=CC(=C1)[N+](=O)[O-])NC=O S576409 [1,1,0,0,0,0|1,0,1]=4 168 B13R1.144 CCNC1=CC=C(C=C1N)C(=O)O R461660 [1,1,0,0,0,0|0,0,1]=3 169 B13R1.144 O=CNC1=C(C=C(C=C1)[N+](=O)[O-])Cl S623342 [1,1,0,0,0,0|1,0,1]=4 170 B13R1.385 CCOC1=CC=C(C(=C1)O)C(=O)O S438081 [1,1,0,0,0,0|1,0,1]=4 171 B13R1.537 CNC(=O)C1=CC=C(C=C1)C(=O)O CDS015918 [1,1,0,0,0,0|2,0,0]=4 172 B13R1.120 C=C(C)C1=CC=C(C=C1N)C(=O)O S336912 [0,1,0,0,1,0|1,0,0]=3 173 B13R1.120 CC(=O)C1=CC=C(C=C1N)[N+](=O)[O-] S639966 [0,1,0,0,1,0|1,0,1]=4 174 B13R1.120 CC1=C(C=CC(=C1)C(=O)O)N(C)C OTV000739 [0,1,0,0,1,0|2,0,0]=4 175 B13R1.120 CN(C)C1=CC=C(C(=C1)O)C(=O)O S462195 [0,1,0,0,1,0|2,0,0]=4 176 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])F L446572 [0,1,0,0,1,0|2,0,0]=4 177 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])I ANV00138 [0,1,0,0,1,0|2,0,0]=4 178 B13R1.338 CC(=O)C1=CC=C(C=C1)S(=O)(=O)O PH008123 [0,1,0,0,1,0|1,0,0]=3 179 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O S39099 [0,1,0,0,1,0|1,0,1]=4 180 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N EME00434 [0,1,0,0,1,0|2,0,0]=4 181 B13R1.533 COC(=O)C1=CN=C(S1)NC(=O)C SYX00209 [0,1,0,0,1,0|2,0,0]=4 182 B15R1.495 CN(C)C(=O)NC1=CC=C(C=C1)C(=O)O CDS014672 [0,1,0,0,0,1|2,0,0]=4 183 B15R1.498 CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)Cl CDS010641 [0,1,0,0,0,1|1,0,1]=4 184 B15R1.498 CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N EME00305 [0,1,0,0,0,1|1,0,1]=4 185 B15R1.944 COC(=O)C1=CC=C(C=C1)[Hg]OC(=O)C S882003 [0,1,0,0,0,1|1,0,0]=3 186 B15R1.956 COC(=O)COC1=CC=C(C=C1)C(=O)C EME00167 [0,1,0,0,0,1|2,0,0]=4 187 B15R1.2997 CC(=O)NC1=CC=C(C=C1)NC(=O)CBr R818011 [0,1,0,0,0,1|1,0,0]=3 188 B15R1.2997 CC(=O)NC1=CC=C(C=C1)NC(=O)CCl S48888 [0,1,0,0,0,1|1,0,0]=3 189 B15R1.2997 CCC(=O)NC1=CC=C(C=C1)NC(=O)C S696129 [0,1,0,0,0,1|1,0,0]=3 190 B15R1.2997 CNC(=O)NC1=CC=C(C=C1)NC(=O)C PH008959 [0,1,0,0,0,1|1,0,0]=3 191 B15R1.5387 CC(=O)NC1=CC(=C(C=C1)NC(=O)C)Cl S193445 [0,1,0,0,0,1|1,0,0]=3 192 B15R1.37 COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C S654620 [0,2,0,0,0,0|1,0,1]=4 193 B15R1.992 COC(=O)C1=CC=C(C(=C1)N)NC(C)C PH014648 [0,2,0,0,0,0|1,0,1]=4 194 B15R1.2999 CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCl S718122 [0,2,0,0,0,0|1,0,1]=4 195 B15R1.2999 CCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C S699578 [0,2,0,0,0,0|1,0,1]=4 196 B15R1.2999 CCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl S736260 [0,2,0,0,0,0|1,0,1]=4 197 B15R1.2999 CNC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C S613436 [0,2,0,0,0,0|1,0,1]=4 198 B15R1.2999 CNC(=O)NC1=CC=C(C=C1Cl)[N+](=O)[O-] S607444 [0,2,0,0,0,0|1,0,1]=4 199 B15R1.2999 COC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C S610755 [0,2,0,0,0,0|1,0,1]=4 200 B15R1.2999 O=C(CCl)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl S718084 [0,2,0,0,0,0|1,0,1]=4 201 B15R1.5377 CC(=O)NC1=CC=C(C=C1C)S(=O)(=O)Cl CDS009227 [0,2,0,0,0,0|1,0,1]=4 202 B15R1.8391 CC(=O)NC1=C(C=C(C(=C1)Cl)[N+](=O)[O-])Cl S530417 [0,2,0,0,0,0|1,0,1]=4 203 B15R1.28960 CC(=O)NC1=C(C=C(C=C1C)[N+](=O)[O-])C T330825 [0,2,0,0,0,0|1,0,1]=4 204 B15R1.28960 CC(=O)NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl S505420 [0,2,0,0,0,0|1,0,1]=4 205 B15R1.945 CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CBr PH010748 [0,2,0,0,0,0|2,0,0]=4 206 B15R1.317 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCl T276138 [0,2,0,0,0,0|1,0,1]=4 207 B15R1.317 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN PH005108 [0,2,0,0,0,0|1,0,1]=4 208 B15R1.317 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NO PH002159 [0,2,0,0,0,0|1,0,0]=3 209 B15R1.779 CCCC(=O)C1=CC=C(C=C1)NC(=O)C L259098 [0,2,0,0,0,0|1,0,0]=3 210 B15R1.779 CCOC(=O)C1=CC=C(C=C1)NC(=N)N PH013317 [0,2,0,0,0,0|2,0,0]=4 211 B15R1.2994 CCC(=O)C1=CC=C(C=C1)NC(=O)CI R871281 [0,2,0,0,0,0|1,0,0]=3 212 B15R1.2994 CCC(=O)C1=CC=C(C=C1)NC(=S)NC PH007052 [0,2,0,0,0,0|1,1,0]=4 213 B15R1.2994 CCC(=O)C1=CC=C(C=C1)OC(=O)NC S855057 [0,2,0,0,0,0|2,0,0]=4 214 B15R1.2994 COC(=O)C1=CC=C(C=C1)NC(=O)CCl R590177 [0,2,0,0,0,0|0,0,0]=2 215 B15R1.2994 NNC(=O)C1=CC=C(C=C1)NC(=O)CCl R169730 [0,2,0,0,0,0|1,0,0]=3 216 B15R1.11693 COC(=O)C1=C(C=C(C=C1)NC(=O)C)O PH004540 [0,2,0,0,0,0|0,0,0]=2 217 B15R1.2995 CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)N S720887 [0,2,0,0,0,0|1,0,1]=4 218 B15R1.2995 COC(=O)NC1=CC=C(C=C1)S(=O)(=O)C S192457 [0,2,0,0,0,0|1,0,1]=4 219 B15R1.2995 NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCl S736236 [0,2,0,0,0,0|1,0,1]=4 220 B15R1.2995 NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CI L318965 [0,2,0,0,0,0|1,0,1]=4 221 B15R1.1262 CCCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] R104477 [0,2,0,0,0,0|1,0,1]=4 222 B15R1.1262 CCNC(=O)NC1=CC=C(C=C1)C(=O)C S701874 [0,2,0,0,0,0|1,0,0]=3 223 B15R1.1262 CCNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] S669059 [0,2,0,0,0,0|1,0,1]=4 224 B15R1.1262 CCNC(=S)NC1=CC=C(C=C1)C(=O)C PH010041 [0,2,0,0,0,0|1,1,0]=4 225 B15R1.1262 CCOC(=O)NC1=CC=C(C=C1)C(=O)O CDS011337 [0,2,0,0,0,0|0,0,0]=2 226 B15R1.1262 CCOC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] S349461 [0,2,0,0,0,0|1,0,1]=4 227 B15R1.28953 CC(=O)NC1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl S81400 [0,2,0,0,0,0|1,0,1]=4 228 B13R1.1985 CC(=O)NCC1=CC=C(O1)C(=O)O CDS013284 [0,0,1,1,0,0|1,0,1]=4 229 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O PH000237 [0,0,1,1,0,0|2,0,0]=4 230 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 PH010650 [1,0,0,1,0,0|1,0,1]=4 231 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 T153958 [1,0,0,1,0,0|1,0,1]=4 232 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CDS021633 [1,0,0,1,0,0|1,0,1]=4 233 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 CDS015398 [1,0,0,1,0,0|1,0,1]=4 234 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 CDS018249 [1,0,0,1,0,0|1,0,1]=4 235 B13R2.430 O=C(O)C1=CC=C2NCCC2=C1 CDS019637 [1,0,0,1,0,0|0,0,1]=3 236 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 CDS010065 [1,0,0,1,0,0|2,0,0]=4 237 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 CDS006646 [1,0,0,1,0,0|2,0,0]=4 238 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 ADE000888 [1,0,0,1,0,0|1,0,1]=4 239 B13R2.430 O=C(O)C1=CN=C2NCCC2=C1 CDS009699 [1,0,0,1,0,0|1,0,1]=4 240 B15R2.7174 O=C1COC2=CC=C(C=C2N1)C(=O)O CDS014371 [0,0,0,1,0,1|2,0,0]=4 241 B15R2.926 CC(=O)NC1=CC2=C(C=C1)N=C(S2)C S15122 [0,0,0,1,0,1|1,1,0]=4 242 B15R2.926 CC(=O)NC1=CC2=C(C=C1)NC(=S)S2 R587079 [0,0,0,1,0,1|0,2,0]=4 243 B15R2.926 CC(=O)NC1=CC2=C(C=C1)NC(=S)S2 R785911 [0,0,0,1,0,1|0,2,0]=4 244 B15R2.926 CC(=O)NC1=CC2=C(C=C1)OC(=N2)C S394858 [0,0,0,1,0,1|2,0,0]=4 245 B15R2.7180 O=C1C=CC2=CC(=CC=C2O1)C(=O)O CDS022225 [0,1,0,1,0,0|1,0,1]=4 246 B15R2.7180 O=C1COC2=C(N1)C=CC(=C2)[N+](=O)[O-] PH006831 [0,1,0,1,0,0|1,0,1]=4 247 B15R2.19280 COC(=O)C1=CC2=C(C=C1)NC(=O)O2 KOB0033 [0,1,0,1,0,0|1,0,0]=3 248 B15R2.927 CC1=C(C2=C(N1)C=CC(=C2)C(=O)N)C EME00433 [0,1,0,1,0,0|2,0,0]=4 249 B15R2.1760 CCC1=CC2=CC(=CN=C2N1)C(=O)O ADE001053 [0,1,0,1,0,0|2,0,0]=4 250 B15R2.1760 CCC1=NC2=C(N1)C=CC(=C2)C(=O)O OTV000021 [0,1,0,1,0,0|1,0,0]=3 251 B15R2.961 CC1=NC2=CC(=CC=C2N1C)C(=O)O CDS001947 [0,1,0,1,0,0|1,0,0]=3 252 B15R2.961 CN1C(=O)CC2=CC(=CC=C12)[N+](=O)[O-] T313629 [0,1,0,1,0,0|1,0,1]=4 253 B11R1.43 C(=O)C1=CC=C(S1)NC(=O)C L204498 [1,0,0,0,1,0|1,0,0]=3 254 B11R1.175 CC(=O)C1=CC=C(O1)C(=O)O PH008438 [0,0,0,0,2,0|1,0,0]=3 255 B11R1.175 CC(=O)C1=CC=C(S1)C(=O)C S223840 [0,0,0,0,2,0|2,0,0]=4 256 B13R1.3 C(=O)C1=CC=C(C=C1)OCC(=O)N R397091 [1,0,0,0,0,1|2,0,0]=4 257 B13R1.3 C(=O)C1=CC=C(C=C1)OCC(=O)[O-] S928836 [1,0,0,0,0,1|2,0,0]=4 258 B13R1.587 CC(=O)NC1=CN=CC(=C1)C(=O)O CDS004097 [0,0,0,0,1,1|0,0,0]=2 259 B13R1.587 CC(=O)NC1=NC=CC(=C1)C(=O)O ADE000361 [0,0,0,0,1,1|0,0,0]=2 260 B15R1.499 CC(=O)NC1=CC=C(C=C1)[Hg]OC(=O)C S417629 [0,0,0,0,0,2|2,0,0]=4 261 B15R1.499 CC(=O)NCC1=CC=C(C=C1)NC(=O)C S329185 [0,0,0,0,0,2|1,0,0]=3 262 B15R1.499 CC(=O)OC1=CC=C(C=C1)NCC(=O)O PH006980 [0,0,0,0,0,2|2,0,0]=4 263 B15R1.1080 CC(=O)N/N=C/C1=CC=C(C=C1)[N+](=O)[O-] R709352 [0,0,0,0,0,2|1,0,1]=4 264 B15R1.1080 CC(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-] S569852 [0,0,0,0,0,2|1,0,1]=4 265 B15R1.1080 O=C(O)CCNC1=CC=C(C=C1)C(=O)O PH000362 [0,0,0,0,0,2|1,0,0]=3