0 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.166 CC1=CC(=CC=C1B(O)O)O CDS020052 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])[O-] S399914 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl CBR00671 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.166 NC(=O)C1=NC=C(C=C1N)Br ADE000136 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.166 NC(=S)C1=CC=C(C=C1Cl)N BOG00233 [0,0,0,0,0,0|2,1,0]=3 23 B11R1.166 NC(=S)C1=CC=C(C=C1N)Cl BOG00232 [0,0,0,0,0,0|3,1,0]=4 24 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,0,0,0,0,0|1,0,0]=1 25 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.166 NC1=CC=C(C(=C1)F)[N+](=O)[O-] CDS014115 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.166 NC1=CC=C(C(=C1)N)[N+](=O)[O-] S595098 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,0,0,0,0,0|0,0,1]=1 29 B11R1.166 NC1=NC(=O)NC=C1C(=O)O CDS009934 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.166 NC1=NC=C(C(=C1)Br)[N+](=O)[O-] PHB00263 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,0,0,0,0,0|1,0,0]=1 34 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.166 O=C(O)C1=CNC(=S)NC1=O PH000413 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1F)Cl CDS003056 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.166 OB(O)C1=C(C=C(C=C1)F)Cl CDS003472 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.166 OB(O)C1=CC=C(C=C1F)Br SYX00006 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.166 OB(O)C1=CC=C(C=C1F)Cl BML00162 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [1,0,0,0,0,0|1,0,2]=4 51 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,0,0,0,0,0|2,1,0]=4 60 B10R1.13 NC(=S)C1=CC=C(C=N1)N BOG00001 [1,0,0,0,0,0|2,1,0]=4 61 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,0,0,0,0,0|0,0,0]=1 62 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,0,0,0,0,0|0,0,1]=2 63 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [1,0,0,0,0,0|1,0,0]=2 72 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.25 NC1=NC=C(C(=N1)N)C=O CDS013913 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.25 O=CC1=CC=C(N=C1Cl)Br ADE000570 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,0,0,0,0,0|2,1,0]=4 88 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,0,0,0,0,0|0,0,0]=1 100 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,0,0,0,0,0|0,0,0]=1 101 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,0,0,0,0,0|0,0,1]=2 105 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [1,0,0,0,0,0|1,0,2]=4 106 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [1,0,0,0,0,0|1,1,1]=4 107 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [1,0,0,0,0,0|1,0,2]=4 108 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,0,0,0,0,0|1,0,1]=3 109 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,0,0,0,0,0|0,2,0]=3 110 B12R1.57 CCC1=NC(=NC=C1C(=O)O)N PH018783 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)Cl PH016231 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.57 COC1=CC(=CC=C1C(=O)C)Br JRD0836 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.57 COC1=CC(=CN=C1C(=O)O)Br ADE000556 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.57 NNC1=C(C=CC(=C1)Cl)C(=O)O PH001526 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.126 CC1=CC=C(C(=C1)C)P(=O)(O)O S915718 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.126 NC1=CC(=C(C=C1)S(=O)(=O)O)N R397156 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.126 O=S(=O)(O)C1=C(C=C(C=C1)Cl)Cl PH014379 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.126 O=S(=O)(O)C1=C(C=C(C=C1)F)F PH015778 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.126 O=S(=O)(O)C1=CC=C(C=C1F)F PH018105 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.232 CC1=C(C=C(C(=C1)N)C(=O)N)F CDS024448 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C CBR00208 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.232 NC1=C(C=C(C(=C1)Cl)[N+](=O)[O-])N PH011132 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,1,0,0,0,0|0,0,0]=1 136 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,1,0,0,0,0|1,0,0]=2 139 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.452 COC1=CC=C(C(=C1)N)C(=O)N BBO000417 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.452 COC1=CC=C(C(=N1)Cl)C(=O)O ADE000607 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.452 CSC1=NC(=C(C=N1)C(=O)O)O JRD0446 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.893 CC1=C(C(=CC=C1O)[N+](=O)[O-])O S861006 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.893 CC1=CC=C(C(=O)N1C)C(=O)O CDS002379 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.893 O=C(Cl)C1=C(C(=C(C=C1)F)F)F T341576 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.893 O=C(O)C1=CC=C(C(=C1Cl)F)Cl MNO000056 [0,1,0,0,0,0|2,0,0]=3 151 B12R1.893 O=C(O)C1=CC=C(C(=C1F)Cl)F CDS001173 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.893 O=C(O)C1=CC=C(C(=C1F)F)O CDS008686 [0,1,0,0,0,0|2,0,0]=3 153 B12R1.893 O=[N+]([O-])C1=C(C(=C(C=C1)Cl)Cl)O PH000483 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.1000 CC(=N)C1=C(C=C(C=C1O)O)O S638560 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.1000 CC(=O)C1=C(C=C(C=C1C)O)C S991066 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)C S462284 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C S763225 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PH009772 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.1000 CC1=C(C(=CC(=C1)F)I)C(=O)O L511900 [0,1,0,0,0,0|2,0,0]=3 160 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)N)C S356611 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.1000 CC1=CC(=C(C(=C1)C)S(=O)O)C S798894 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.1000 CC1=CC(=C(C(=C1)I)C(=O)O)I L511978 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O S84299 [0,1,0,0,0,0|1,0,0]=2 164 B12R1.1000 CC1=CC(=C(C(=C1)O)[N+](=O)[O-])C S809179 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.1000 CC1=CC(=C(C(=N1)C)C(=O)N)O R439762 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)O)C T321648 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.1000 CC1=CC(=O)NC(=C1C(=O)O)C CBR01649 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C S457507 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C S946400 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.1000 NC1=CC(=CC(=C1C(=O)O)Cl)Cl CDS017594 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.1000 O=C(O)C1=C(C=C(C=C1O)O)O PH005103 [0,1,0,0,0,0|1,0,0]=2 172 B12R1.1000 O=C([O-])C1=C(C=C(C=C1O)O)O S504165 [0,1,0,0,0,0|1,0,1]=3 173 B12R1.1703 C(=O)C(=O)C1=C(C=C(C=C1)F)F CDS022056 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.1703 C/C(=N\O)/C1=C(C=C(C=C1)O)O R395218 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.1703 CC1=CC(=C(C=C1)/C(=N/O)/C)O L497398 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PH010309 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.1703 CC1=CC(=CC=C1C(=O)CCl)O R738417 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.1703 CC1=CC=C(C(=C1)C)C(=O)CCl OTV000341 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [0,1,0,0,0,0|1,0,0]=2 180 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.1703 CCC(=O)C1=CC=C(C=C1Cl)Cl S757217 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Cl)Cl S15629 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C EME00062 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PH009694 [0,1,0,0,0,0|1,0,0]=2 186 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [0,1,0,0,0,0|0,0,0]=1 187 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Br CDS022573 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.1703 COC(=O)C1=CC=C(C=C1N)F CDS023419 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [0,1,0,0,0,0|1,0,0]=2 190 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [0,1,0,0,0,0|1,0,0]=2 191 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [0,1,0,0,0,0|1,0,0]=2 192 B12R1.1703 COC(=O)C1=CC=C(N=C1Cl)Br ADE000594 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.1703 COC(=O)C1=CN=C(N=C1Cl)N PH017879 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.1703 COC(=O)C1=NC=C(C=C1F)Br ADE000142 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.1703 COC(=O)C1=NC=C(C=C1N)Br ADE000144 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.1703 COC(=O)C1=NC=C(N=C1Cl)N PH018846 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl S550434 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)Br JRD0833 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)F JRD0835 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.1703 O=C(NO)C1=C(C=C(C=C1)Cl)Cl PH010543 [0,1,0,0,0,0|2,0,0]=3 201 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,0,0,1,0,0|3,0,0]=4 202 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,0,0,1,0,0|1,0,0]=2 203 B12R2.612 NC1=NOC2=CC(=CC=C12)Br CDS008140 [0,0,0,1,0,0|3,0,0]=4 204 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,0,0,1,0,0|3,0,0]=4 205 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,0,0,1,0,0|3,0,0]=4 206 B12R2.612 OC1=NNC2=C1C=CC(=C2)Br CDS022567 [0,0,0,1,0,0|3,0,0]=4 207 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [0,0,0,1,0,0|2,0,0]=3 208 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PH010596 [0,0,0,0,1,0|3,0,0]=4 209 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,0,0,0,1,0|3,0,0]=4 210 B10R1.59 CC1=CC(=C(S1)N)C(=O)O CBR00110 [0,0,0,0,1,0|3,0,0]=4 211 B10R1.59 O=C(O)C1=C(C=C(O1)Br)Br S813745 [0,0,0,0,1,0|3,0,0]=4 212 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [0,0,0,0,1,0|3,0,0]=4 213 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,0,0,0,0,1|3,0,0]=4 214 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [0,0,0,0,0,1|3,0,0]=4 215 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [0,0,0,0,0,1|3,0,0]=4 216 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [0,0,0,0,0,1|3,0,0]=4 217 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,0,0,0,0,1|3,0,0]=4 218 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [0,0,0,0,0,1|3,0,0]=4 219 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [0,0,0,0,0,1|3,0,0]=4 220 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [0,0,0,0,0,1|3,0,0]=4 221 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [0,0,0,0,0,1|3,0,0]=4 222 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,0,0,0,0,1|3,0,0]=4 223 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [0,0,0,0,0,1|3,0,0]=4 224 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [0,0,0,0,0,1|3,0,0]=4 225 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [0,0,0,0,0,1|3,0,0]=4 226 B12R1.233 CC(=O)NC1=NC=C(C=C1Br)N CDS023415 [0,0,0,0,0,1|3,0,0]=4 227 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [0,0,0,0,0,1|3,0,0]=4 228 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [0,0,0,0,0,1|3,0,0]=4 229 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,0,0,0,0,1|1,0,0]=2 230 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [0,0,0,0,0,1|3,0,0]=4 231 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [0,0,0,0,0,1|3,0,0]=4 232 B12R1.233 NC1=NC(=O)N(C=C1)CC(=O)O PH016067 [0,0,0,0,0,1|2,0,1]=4 233 B12R1.233 NC1=NC=C(C(=N1)O)CC(=O)O CDS016798 [0,0,0,0,0,1|2,0,0]=3 234 B12R1.233 O=C(O)CC1=C(C=C(C=N1)Cl)F CDS023951 [0,0,0,0,0,1|3,0,0]=4 235 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [1,0,1,0,0,0|1,0,0]=3 236 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [2,0,0,0,0,0|1,0,1]=4 242 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [2,0,0,0,0,0|1,0,0]=3 248 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [2,0,0,0,0,0|1,0,0]=3 249 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [2,0,0,0,0,0|0,0,2]=4 251 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [2,0,0,0,0,0|0,0,1]=3 252 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [2,0,0,0,0,0|1,0,0]=3 253 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [2,0,0,0,0,0|0,0,1]=3 254 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [2,0,0,0,0,0|1,0,1]=4 260 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.15 OCC1=CC=CC=N1O S459240 [2,0,0,0,0,0|1,0,1]=4 262 B9R1.15 OCC1=NC=CC=C1O R578177 [2,0,0,0,0,0|1,0,1]=4 263 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [2,0,0,0,0,0|1,0,1]=4 264 B9R1.69 CC1=CC(=CC=C1N)N S442275 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [2,0,0,0,0,0|1,0,0]=3 271 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [2,0,0,0,0,0|2,0,0]=4 273 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.3 CNC1=NC=C(C=N1)C(=O)O CBR00047 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.3 NCC1=CC=C(C=C1)B(O)O CDS004781 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.3 NSC1=CC=C(C=C1)[N+](=O)[O-] S201537 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.3 NSC1=CC=C(C=C1)[N+](=O)[O-] S985945 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00049 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00050 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013111 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013337 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013753 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R162280 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R466972 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S430110 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500577 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500623 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S656747 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S822663 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862304 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862495 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862509 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862517 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862541 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862568 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S896683 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181021 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181307 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N CDS012661 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)[S-] S47717 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)[S-] S47814 [1,1,0,0,0,0|1,0,1]=4 308 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Br S915874 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Cl S859192 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.22 COC(=O)C1=CN=C(N=C1)N ANV00033 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.22 NC1=CC=C(N=C1)/C(=N/O)/N BOG00016 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [1,1,0,0,0,0|1,0,1]=4 351 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.37 COC1=C(C=CC(=C1)N)C#N CDS021034 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.37 COC1=CC(=CN=C1C=O)Br ADE000491 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.37 N#CC1=CC(=CC=C1C=O)Br CDS003721 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.37 N#CC1=CC(=CC=C1C=O)F CDS003658 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.81 C(=O)NC1=C(C=C(C=C1)Cl)Cl S576786 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.81 CC1=C(C=CC(=C1)Br)NC=O S624586 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.81 CC1=CC(=C(C=C1)/C=N/O)C L320153 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.81 O/N=C/C1=C(C=C(C=C1)O)O PH010880 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.81 O/N=C\C1=CC=C(C=C1Cl)Cl PH008974 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.81 O=CNC1=C(C=C(C=C1)Br)Cl S746355 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.277 O=CC1=CC(=C(C=C1Cl)O)Cl PH014528 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.277 O=CC1=CC(=C(C=C1F)Br)F CDS023621 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F CDS001118 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.279 CC1=CC(=CC=C1C=O)C#N CDS024329 [1,1,0,0,0,0|1,0,1]=4 376 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.464 C(=O)C1=C(C=C(C=C1O)Cl)Cl CDS004457 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.464 C(=O)C1=C(N=C(N=C1N)N)O CBR02336 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.464 CC1=CC(=CC(=C1C=O)C)O CDS003970 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.53 COC1=C(C=NC=N1)C(=O)O CDS021376 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.53 COC1=NC=CN=C1C(=O)O CDS021111 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [1,1,0,0,0,0|0,0,0]=2 391 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [1,1,0,0,0,0|1,0,1]=4 392 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1O T330655 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [1,1,0,0,0,0|1,0,0]=3 397 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [1,1,0,0,0,0|1,0,0]=3 398 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [1,1,0,0,0,0|0,0,0]=2 401 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [1,1,0,0,0,0|0,0,0]=2 402 B11R1.156 O=C(O)C1=C(C=CN=C1Br)O CDS023702 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.156 O=C(O)C1=C(C=NC=C1F)F CDS002726 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [1,1,0,0,0,0|0,0,1]=3 405 B11R1.156 O=[N+]([O-])C1=C(C=CC=C1O)F CDS004611 [1,1,0,0,0,0|1,0,1]=4 406 B11R1.156 OB(O)C1=C(C=CC=C1Cl)O CDS024328 [1,1,0,0,0,0|1,0,1]=4 407 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [1,1,0,0,0,0|1,0,0]=3 410 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [1,1,0,0,0,0|1,0,1]=4 416 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)F CDS021224 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)I ADE000327 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [1,1,0,0,0,0|1,0,0]=3 424 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [1,1,0,0,0,0|1,0,1]=4 426 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [1,1,0,0,0,0|1,0,1]=4 428 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [1,1,0,0,0,0|1,1,0]=4 438 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl CDS012312 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.167 NC1=CN=C(C=C1C(=O)O)F PH016197 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [1,1,0,0,0,0|1,0,0]=3 452 B11R1.167 O=C(O)C1=CC(=NC=C1F)Cl CDS022137 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Br CDS023919 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [1,1,0,0,0,0|1,1,0]=4 460 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [1,1,0,0,0,0|1,0,0]=3 461 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [1,1,0,0,0,0|1,0,0]=3 469 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.225 COC(=O)C1=CC(=CN1C)N ANV00044 [0,1,0,0,1,0|2,0,0]=4 472 B11R1.64 COC1=C(SC=C1C(=O)O)Cl CDS015144 [0,1,0,0,1,0|2,0,0]=4 473 B11R1.865 COC(=O)C1=CC=C(N1C)N CDS021001 [0,1,0,0,1,0|2,0,0]=4 474 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)O S671819 [0,1,0,0,0,1|2,0,0]=4 475 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)C)O S582514 [0,1,0,0,0,1|2,0,0]=4 476 B13R1.2679 COC(=O)CC1=C(C=C(C=C1)F)Cl TMT00408 [0,1,0,0,0,1|2,0,0]=4 477 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)C)C S606839 [0,1,0,0,0,1|2,0,0]=4 478 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)C S625272 [0,1,0,0,0,1|2,0,0]=4 479 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)Cl S612839 [0,1,0,0,0,1|2,0,0]=4 480 B13R1.2679 COC(=O)OC1=CC=C(C=C1Cl)F PH016916 [0,1,0,0,0,1|2,0,0]=4 481 B13R1.2679 O=C(CCl)NC1=CC=C(C=C1O)O PH008556 [0,1,0,0,0,1|2,0,0]=4 482 B13R1.2679 O=C(NO)NC1=CC=C(C=C1Cl)Cl S647268 [0,1,0,0,0,1|2,0,0]=4 483 B13R1.2808 CC(=O)NC1=C(C=C(C=C1Cl)N)Cl S373052 [0,1,0,0,0,1|2,0,0]=4 484 B13R1.2808 NC1=NC(=C(C(=N1)O)CC(=O)O)O R734020 [0,1,0,0,0,1|2,0,0]=4 485 B13R1.2808 O=C(O)CC1=C(C=C(C=C1F)F)F CDS004596 [0,1,0,0,0,1|2,0,0]=4 486 B13R1.3528 O=C(O)CC1=CC=C(C(=C1F)F)F CDS021465 [0,1,0,0,0,1|2,0,0]=4 487 B13R1.806 O=C(O)C1=C(C(=O)C=C(C=C1)O)O L168327 [0,1,0,0,0,1|1,0,1]=4 488 B13R1.165 NC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] R397393 [0,2,0,0,0,0|0,0,1]=3 489 B13R1.165 O=C(O)C1=CC=C(C=C1B(O)O)F BML00163 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.165 O=C(O)C1=CC=C(C=C1B(O)O)F CDS020077 [0,2,0,0,0,0|1,0,0]=3 491 B13R1.165 O=C(O)C1=CC=C(C=C1C(=O)O)Br PH011212 [0,2,0,0,0,0|1,0,0]=3 492 B13R1.356 COCC1=C(C=NC(=N1)N)C(=O)O PH018789 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.356 N#CCC1=CC(=CC=C1C(=O)O)Br CDS024559 [0,2,0,0,0,0|2,0,0]=4 494 B13R1.2065 COC(=O)C1=CC=C(C=C1OC)F VBP00106 [0,2,0,0,0,0|1,0,0]=3 495 B13R1.2065 COC(=O)C1=NC=C(C=C1OC)Br ADE000636 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.2398 COC1=C(C=C(C(=C1)C)Cl)C(=O)C JRD1261 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.877 NC1=C(C=C(C(=C1)Cl)S(=O)(=O)O)Cl S387444 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)C)C)O JRD1482 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)C)O PH011664 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)O)O L498912 [0,2,0,0,0,0|2,0,0]=4 501 B13R1.2811 CC1=C(C(=C(C(=C1)C(=O)O)C)C)C S35158 [0,2,0,0,0,0|2,0,0]=4 502 B13R1.2811 CC1=C(C(=C(C=C1Br)C(=O)O)C)C L119466 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.2811 NC1=C(C(=C(C(=C1)C(=O)O)O)Cl)O S501166 [0,2,0,0,0,0|1,0,0]=3 504 B13R1.2811 NC1=C(C=C(C(=C1I)O)C(=O)O)I S379689 [0,2,0,0,0,0|0,0,0]=2 505 B13R1.2811 O=C(O)C1=C(C(=C(C(=C1)Cl)F)F)F PH000398 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.2811 O=C(O)C1=C(C(=C(C(=C1)Cl)O)Cl)O TMT00288 [0,2,0,0,0,0|1,0,0]=3 507 B13R1.2811 O=C(O)C1=CC(=C(C(=C1Cl)Cl)Cl)Cl PH010988 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.2811 O=C(O)C1=CC(=C(C(=C1O)Br)O)Br S947776 [0,2,0,0,0,0|1,0,0]=3 509 B13R1.2812 CC1=C(C(=CC(=C1C(=O)O)F)F)F CDS022263 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.2812 CC1=CC(=C(C(=C1C)C)C(=O)O)C S53261 [0,2,0,0,0,0|2,0,0]=4 511 B13R1.2812 CC1=CC(=C(C(=C1O)Br)C(=O)O)C S663069 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.2812 CC1=NC(=C(C(=C1C(=O)O)O)Br)C R456861 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.2812 CC1=NC(=C(C(=C1C(=O)O)O)I)C R456608 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.2812 NC1=C(C(=C(C=C1Br)Br)C(=O)O)Br S341274 [0,2,0,0,0,0|2,0,0]=4 515 B13R1.2812 O=C(O)C1=C(C=C(C(=C1I)O)I)I S435457 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.95 COC(=O)C1=CC=C(C=C1N)OC CDS022292 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.95 COC1=CC=C(C(=C1)O)C(=O)CCl R462276 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.120 CN(C)C1=CC=C(C(=C1)O)C(=O)O S462195 [0,2,0,0,0,0|0,0,0]=2 519 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])F L446572 [0,2,0,0,0,0|1,0,1]=4 520 B13R1.120 O=C(O)C1=C(C=C(C=C1)[N+](=O)[O-])I ANV00138 [0,2,0,0,0,0|1,0,1]=4 521 B13R1.120 O=C(O)C1=CC=C(C=C1Cl)B(O)O BML00159 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.385 CCOC1=CC=C(C(=C1)O)C(=O)O S438081 [0,2,0,0,0,0|1,0,0]=3 523 B13R1.3096 COC1=C(C(=C(C=C1)C(=O)C)O)O TMT00632 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O R156752 [0,2,0,0,0,0|2,0,0]=4 525 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O S463744 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.1808 COC(=O)C1=CC=C(C(=C1C)C)C S53318 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.4656 CCC(=O)C1=C(C=C(C=C1O)C)C PH004672 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.4656 CCC(=O)C1=C(C=C(C=C1O)O)O CDS021476 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.4656 COC(=O)C1=C(C=C(C=C1Cl)Cl)Cl PH011192 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.4656 COC(=O)C1=C(C=C(C=C1O)O)O S443034 [0,2,0,0,0,0|1,0,0]=3 531 B13R1.961 CC/C(=N\O)/C1=C(C=C(C=C1)O)O L496758 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)O PH007973 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)C)C PH011191 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)N PH000524 [0,2,0,0,0,0|2,0,0]=4 535 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)N)Cl PH000496 [0,2,0,0,0,0|1,0,0]=3 536 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)O)O S947784 [0,2,0,0,0,0|1,0,0]=3 537 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)N)O S423475 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.1511 COCC(=O)C1=CC=C(C=C1O)O S863483 [0,2,0,0,0,0|1,0,0]=3 539 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O T326682 [0,0,1,1,0,0|1,1,0]=4 540 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [1,0,0,1,0,0|2,0,0]=4 541 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,0,0,1,0,0|2,0,0]=4 542 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,1,0,0|2,0,0]=4 543 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [1,0,0,1,0,0|2,0,0]=4 544 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [1,0,0,1,0,0|2,0,0]=4 545 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,1,0,0|2,0,0]=4 546 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,1,0,0|1,0,0]=3 547 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [0,0,0,1,0,1|2,0,0]=4 548 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [0,0,0,1,0,1|2,0,0]=4 549 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [0,0,0,1,0,1|2,0,0]=4 550 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [0,0,0,1,0,1|2,0,0]=4 551 B13R2.3683 O=C1COC2=CC(=CC=C2N1)O OTV000448 [0,0,0,1,0,1|2,0,0]=4 552 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,0,0,1,0,1|2,0,0]=4 553 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCO2 PH002854 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.5179 NC1=CC=C2C(=O)NC=CC2=C1 CDS023842 [0,1,0,1,0,0|2,0,0]=4 556 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.5179 O=C1CCOC2=CC(=CC=C12)O PH011288 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O CDS000148 [0,1,0,1,0,0|1,0,1]=4 559 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O R464295 [0,1,0,1,0,0|1,0,1]=4 560 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)Cl PH011762 [0,1,0,1,0,0|1,0,1]=4 561 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)O PH004941 [0,1,0,1,0,0|1,0,1]=4 562 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 R462292 [0,1,0,1,0,0|2,0,0]=4 563 B13R2.2130 NCC1=CC2=C(C=C1)C(=NO2)N PH017354 [0,1,0,1,0,0|2,0,0]=4 564 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [1,0,0,0,1,0|2,0,0]=4 565 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [1,0,0,0,1,0|1,0,0]=3 566 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [1,0,0,0,1,0|2,0,0]=4 567 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [1,0,0,0,1,0|2,0,0]=4 568 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [1,0,0,0,1,0|2,0,0]=4 569 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [1,0,0,0,1,0|2,0,0]=4 570 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [1,0,0,0,1,0|2,0,0]=4 571 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [1,0,0,0,1,0|2,0,0]=4 572 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [1,0,0,0,1,0|2,0,0]=4 573 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [1,0,0,0,1,0|2,0,0]=4 574 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [1,0,0,0,1,0|2,0,0]=4 575 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [1,0,0,0,1,0|2,0,0]=4 576 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [1,0,0,0,1,0|2,0,0]=4 577 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,0,0,0,0,1|2,0,0]=4 578 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,0,0,0,0,1|2,0,0]=4 579 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [1,0,0,0,0,1|2,0,0]=4 580 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [1,0,0,0,0,1|2,0,0]=4 581 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [1,0,0,0,0,1|2,0,0]=4 582 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,0,0,0,0,1|2,0,0]=4 583 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,0,0,0,0,1|2,0,0]=4 584 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,0,0,0,0,1|2,0,0]=4 585 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,0,0,0,0,1|2,0,0]=4 586 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [1,0,0,0,0,1|2,0,0]=4 587 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,0,0,0,0,1|2,0,0]=4 588 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [1,0,0,0,0,1|2,0,0]=4 589 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [1,0,0,0,0,1|2,0,0]=4 590 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [1,0,0,0,0,1|0,1,0]=3 591 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [1,0,0,0,0,1|2,0,0]=4 592 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [1,0,0,0,0,1|2,0,0]=4 593 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [1,0,0,0,0,1|2,0,0]=4 594 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [1,0,0,0,0,1|2,0,0]=4 595 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [1,0,0,0,0,1|2,0,0]=4 596 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [1,0,0,0,0,1|2,0,0]=4 597 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [1,0,0,0,0,1|2,0,0]=4 598 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [1,0,0,0,0,1|2,0,0]=4 599 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [1,0,0,0,0,1|2,0,0]=4 600 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [1,0,0,0,0,1|2,0,0]=4 601 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [1,0,0,0,0,1|2,0,0]=4 602 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [1,0,0,0,0,1|2,0,0]=4 603 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,0,0,0,0,1|2,0,0]=4 604 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,0,0,0,0,1|2,0,0]=4 605 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,0,0,0,0,1|2,0,0]=4 606 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,0,0,0,0,1|1,0,0]=3 607 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [1,0,0,0,0,1|2,0,0]=4 608 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [1,0,0,0,0,1|2,0,0]=4 609 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [1,0,0,0,0,1|2,0,0]=4 610 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,0,0,0,0,1|2,0,0]=4 611 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [1,0,0,0,0,1|1,0,0]=3 612 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [1,0,0,0,0,1|1,0,1]=4 613 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [0,0,0,0,1,1|2,0,0]=4 614 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [0,0,0,0,1,1|2,0,0]=4 615 B11R1.74 CC1=CC(=O)C=C(O1)C(=O)O CBR01516 [0,0,0,0,1,1|2,0,0]=4 616 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [0,0,0,0,1,1|2,0,0]=4 617 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [0,0,0,0,1,1|0,0,0]=2 618 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)O)C L172472 [0,0,0,0,0,2|2,0,0]=4 619 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)N S398012 [0,0,0,0,0,2|1,0,0]=3 620 B13R1.164 CC1=CC=C(C(=C1)Br)OCC(=O)O S697141 [0,0,0,0,0,2|2,0,0]=4 621 B13R1.164 CC1=CC=C(C(=C1)C)/C=C/C(=O)O KOB0165 [0,0,0,0,0,2|2,0,0]=4 622 B13R1.164 CC1=CC=C(C(=C1)C)CCC(=O)O R245275 [0,0,0,0,0,2|2,0,0]=4 623 B13R1.164 CC1=CC=C(C(=C1)C)OCC(=O)O R703249 [0,0,0,0,0,2|2,0,0]=4 624 B13R1.164 O=C(O)/C=C/C1=C(C=C(C=C1)F)Cl R436704 [0,0,0,0,0,2|2,0,0]=4 625 B13R1.164 O=C(O)CCC1=CC=C(C=C1Cl)F RNI00047 [0,0,0,0,0,2|2,0,0]=4 626 B13R1.164 O=C(O)CNC1=CC=C(C=C1Cl)Br R822086 [0,0,0,0,0,2|2,0,0]=4