0 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,0,0,0,0,0|2,0,0]=2 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|2,0,0]=2 3 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.166 CC(=O)C1CCC(=CC1=O)C S357286 [0,0,0,0,0,0|1,0,3]=4 5 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.166 CC1=CC(=CC=C1B(O)O)O CDS020052 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])[O-] S399914 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.166 CC1=CC=C(C(=C1)Cl)N(C)C S504149 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.166 CC1=NC=C(C(=N1)N)C(=O)N PH016867 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.166 CN(C)C1=C(C=C(C=C1)Br)N CBR01423 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl CBR00671 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.166 CN(C)C1=CC=C(C=C1N)Br CDS022330 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.166 NC(=O)C1=NC=C(C=C1N)Br ADE000136 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.166 NC(=S)C1=CC=C(C=C1Cl)N BOG00233 [0,0,0,0,0,0|3,1,0]=4 31 B11R1.166 NC(=S)C1=CC=C(C=C1N)Cl BOG00232 [0,0,0,0,0,0|3,1,0]=4 32 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.166 NC1=CC=C(C(=C1)F)[N+](=O)[O-] CDS014115 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.166 NC1=CC=C(C(=C1)N)[N+](=O)[O-] S595098 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1F)Cl CDS003056 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.13 CC1=CC=C(C=N1)[N+](=O)[O-] PH010163 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [1,0,0,0,0,0|1,0,2]=4 56 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.13 C[N+]1=CC=C(C=C1)[S+](C)C S887838 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,0,0,0,0,0|2,1,0]=4 66 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,0,0,0,0,0|1,0,1]=3 77 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,0,0,0,0,0|1,0,0]=2 80 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [1,0,0,0,0,0|1,0,1]=3 82 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [1,0,0,0,0,0|1,0,1]=3 84 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.25 O=CC1=CC=C(N=C1Cl)Br ADE000570 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,0,0,0,0,0|1,0,2]=4 101 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [1,0,0,0,0,0|1,0,2]=4 102 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,0,0,0,0,0|1,1,0]=3 103 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,0,0,0,0,0|1,0,1]=3 107 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,0,0,0,0,0|2,1,0]=4 125 B12R1.57 CC1=CC(=C(C=C1)[N+](=O)[O-])C#N S489468 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.57 CNC1=C(C=CC(=C1)C)[N+](=O)[O-] PH009432 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)Cl PH016231 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.57 COC1=CC(=CC=C1C(=O)C)Br JRD0836 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.57 COC1=CC(=CN=C1C(=O)O)Br ADE000556 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.57 NNC1=C(C=CC(=C1)Cl)C(=O)O PH001526 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.126 CC1=CC(=C(C=C1)S(=O)(=O)N)C PH000222 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.126 CC1=CC=C(C(=C1)C)P(=O)(O)O S915718 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,1,0,0,0,0|0,0,0]=1 134 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,1,0,0,0,0|1,0,0]=2 135 B12R1.232 CC(=O)C1=C(OC(=O)C(=C1)Cl)C S894265 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,1,0,0,0,0|0,0,0]=1 137 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,1,0,0,0,0|1,0,0]=2 138 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,1,0,0,0,0|1,0,0]=2 139 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.232 CC1=C(C=C(C(=C1)N)C(=O)N)F CDS024448 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N R397687 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N S565636 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.232 CC1=C(N=C(C(=C1)C(=O)N)Cl)C CBR01585 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C CBR00208 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.232 CC1=CC(=C(C=C1Br)C(C)C)O OTV000984 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.232 CC1=CC(=C(C=C1Br)[N+](=O)[O-])N SYX00368 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,1,0,0,0,0|2,0,0]=3 151 B12R1.232 CC1=CC(=C(C=C1Cl)C)[N+](=O)[O-] S531057 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.232 CC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl S753033 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.232 CC1=CC(=C(C=C1N)[N+](=O)[O-])C S740365 [0,1,0,0,0,0|2,0,0]=3 155 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])N)Br MNO000160 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.452 CC1=CC(=CC=C1[N+](=O)[O-])CCl S922145 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [0,1,0,0,0,0|0,0,0]=1 163 B12R1.452 COC1=CC=C(C(=C1)I)[N+](=O)[O-] ANV00227 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.452 COC1=CC=C(C(=C1)N)C(=O)N BBO000417 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.452 COC1=CC=C(C(=N1)Cl)C(=O)O ADE000607 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.452 CSC1=NC(=C(C=N1)C(=O)C)C S216089 [0,1,0,0,0,0|2,0,0]=3 168 B12R1.452 CSC1=NC=C(C(=N1)N)C(=O)C PHB00309 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.452 O=[N+]([O-])C1=CC=C(C=C1F)CBr VBP00031 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.893 CC1=C(C(=C(C=C1)C(C)C)O)O S351784 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.893 CC1=C(C(=CC=C1[N+](=O)[O-])O)Br S196134 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.893 CC1=CC=C(C(=C1N)C)C(C)C S775371 [0,1,0,0,0,0|1,0,1]=3 176 B12R1.893 CC1=CC=C(C(=O)N1C)C(=O)O CDS002379 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.893 O=C(Cl)C1=C(C(=C(C=C1)F)F)F T341576 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.893 O=C(O)C1=CC=C(C(=C1Cl)F)Cl MNO000056 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.893 O=C(O)C1=CC=C(C(=C1F)Cl)F CDS001173 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.893 O=C(O)C1=CC=C(C(=C1F)F)O CDS008686 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.1000 CC(=N)C1=C(C=C(C=C1O)O)O S638560 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.1000 CC(=O)C1=C(C=C(C=C1C)O)C S991066 [0,1,0,0,0,0|1,0,0]=2 183 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)C S462284 [0,1,0,0,0,0|0,0,0]=1 184 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C S763225 [0,1,0,0,0,0|1,0,0]=2 185 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PH009772 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.1000 CC1=C(C(=CC(=C1)F)I)C(=O)O L511900 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)N)C S356611 [0,1,0,0,0,0|1,0,0]=2 188 B12R1.1000 CC1=CC(=C(C(=C1)C)S(=O)O)C S798894 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.1000 CC1=CC(=C(C(=C1)C)[N+](=O)[O-])C PH000042 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.1000 CC1=CC(=C(C(=C1)I)C(=O)O)I L511978 [0,1,0,0,0,0|2,0,0]=3 191 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O S84299 [0,1,0,0,0,0|2,0,0]=3 192 B12R1.1000 CC1=CC(=C(C(=C1)O)[N+](=O)[O-])C S809179 [0,1,0,0,0,0|2,0,0]=3 193 B12R1.1000 CC1=CC(=C(C(=N1)C)C(=O)N)O R439762 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.1000 CC1=CC(=C(C(=N1)C)[N+](=O)[O-])C TMT00392 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.1000 CC1=CC(=C(C(=N1)C)[N+](=O)[O-])Cl ADE001340 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)O)C T321648 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.1000 CC1=CC(=NC(=C1C(C)O)C)C S432520 [0,1,0,0,0,0|1,0,2]=4 198 B12R1.1000 CC1=CC(=O)NC(=C1C(=O)O)C CBR01649 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C S457507 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C S946400 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.1000 NC1=CC(=CC(=C1C(=O)O)Cl)Cl CDS017594 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.1000 O=C(O)C1=C(C=C(C=C1O)O)O PH005103 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.1000 O=C([O-])C1=C(C=C(C=C1O)O)O S504165 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.1703 C(=O)C(=O)C1=C(C=C(C=C1)F)F CDS022056 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.1703 C/C(=N\O)/C1=C(C=C(C=C1)O)O R395218 [0,1,0,0,0,0|2,0,1]=4 206 B12R1.1703 CC1=CC(=C(C=C1)/C(=N/O)/C)O L497398 [0,1,0,0,0,0|1,0,1]=3 207 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PH010309 [0,1,0,0,0,0|0,0,0]=1 208 B12R1.1703 CC1=CC(=CC=C1C(=O)CCl)O R738417 [0,1,0,0,0,0|1,0,0]=2 209 B12R1.1703 CC1=CC=C(C(=C1)C)C(=O)CCl OTV000341 [0,1,0,0,0,0|0,0,0]=1 210 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.1703 CCC(=O)C1=CC=C(C=C1Cl)Cl S757217 [0,1,0,0,0,0|2,0,0]=3 213 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Cl)Cl S15629 [0,1,0,0,0,0|2,0,0]=3 215 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C EME00062 [0,1,0,0,0,0|0,0,0]=1 216 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PH009694 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [0,1,0,0,0,0|2,0,0]=3 218 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Br CDS022573 [0,1,0,0,0,0|2,0,0]=3 219 B12R1.1703 COC(=O)C1=CC=C(C=C1N)F CDS023419 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [0,1,0,0,0,0|1,0,0]=2 222 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.1703 COC(=O)C1=CC=C(N=C1Cl)Br ADE000594 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.1703 COC(=O)C1=NC=C(C=C1F)Br ADE000142 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.1703 COC(=O)C1=NC=C(C=C1N)Br ADE000144 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl S550434 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)Br JRD0833 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)F JRD0835 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.1703 O=C(NO)C1=C(C=C(C=C1)Cl)Cl PH010543 [0,1,0,0,0,0|3,0,0]=4 230 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [0,0,0,1,0,0|1,0,1]=3 231 B12R2.612 CC1=NNC2=C1C=CC(=C2)I PHB00239 [0,0,0,1,0,0|3,0,0]=4 232 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,0,0,1,0,0|3,0,0]=4 233 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,0,0,1,0,0|2,0,0]=3 234 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,0,0,1,0,0|1,0,0]=2 235 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,0,0,1,0,0|2,0,0]=3 236 B10R1.59 CC(=O)C1=C(C=C(N1)C)C PH014632 [0,0,0,0,1,0|1,0,0]=2 237 B10R1.59 CC(=O)C1=C(N=C(S1)N)C S64638 [0,0,0,0,1,0|3,0,0]=4 238 B10R1.59 CC(=O)C1=C(N=C(S1)N)C S948659 [0,0,0,0,1,0|3,0,0]=4 239 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PH010596 [0,0,0,0,1,0|2,0,0]=3 240 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,0,0,0,1,0|2,0,0]=3 241 B10R1.59 CC1=CC(=C(O1)C)C(=O)N S825395 [0,0,0,0,1,0|2,0,0]=3 242 B10R1.59 CC1=CC(=C(S1)N)C(=O)N OTV000759 [0,0,0,0,1,0|3,0,0]=4 243 B10R1.59 CC1=CC(=C(S1)N)C(=O)O CBR00110 [0,0,0,0,1,0|3,0,0]=4 244 B10R1.59 CC1=NC(=C(O1)C(=O)O)C T324817 [0,0,0,0,1,0|3,0,0]=4 245 B10R1.59 CC1=NC(=C(S1)C)C(=O)O CDS007381 [0,0,0,0,1,0|3,0,0]=4 246 B10R1.59 CC1=NN(C=C1C(=O)O)C CBR00325 [0,0,0,0,1,0|3,0,0]=4 247 B10R1.194 CC1=C(C(=NO1)C(=O)O)C CDS002734 [0,0,0,0,1,0|3,0,0]=4 248 B10R1.194 CC1=C(C=NN1C)C(=O)O CDS015133 [0,0,0,0,1,0|3,0,0]=4 249 B10R1.194 CC1=CC=C(N1C)C(=N)N PH017356 [0,0,0,0,1,0|3,0,0]=4 250 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [0,0,0,0,1,0|2,0,0]=3 251 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,0,0,0,0,1|0,0,0]=1 252 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [0,0,0,0,0,1|2,0,0]=3 253 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [0,0,0,0,0,1|1,0,0]=2 254 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [0,0,0,0,0,1|2,0,0]=3 255 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,0,0,0,0,1|1,0,0]=2 256 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [0,0,0,0,0,1|2,0,0]=3 257 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [0,0,0,0,0,1|2,0,0]=3 258 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [0,0,0,0,0,1|1,0,0]=2 259 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [0,0,0,0,0,1|2,0,0]=3 260 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,0,0,0,0,1|1,0,0]=2 261 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [0,0,0,0,0,1|1,0,0]=2 262 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [0,0,0,0,0,1|2,0,0]=3 263 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [0,0,0,0,0,1|2,0,0]=3 264 B12R1.233 CC(=O)NC1=NC=C(C=C1Br)N CDS023415 [0,0,0,0,0,1|3,0,0]=4 265 B12R1.233 CC(=S)NC1=C(C=C(C=C1)C)Br R428477 [0,0,0,0,0,1|1,1,0]=3 266 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [0,0,0,0,0,1|2,0,0]=3 267 B12R1.233 CC1=CC=C(C(=C1)C)NC(=N)N S614645 [0,0,0,0,0,1|2,0,0]=3 268 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [0,0,0,0,0,1|1,0,0]=2 269 B12R1.233 CC1=CC=C(C(=C1)C)NC(=S)N R611220 [0,0,0,0,0,1|1,1,0]=3 270 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,0,0,0,0,1|2,0,0]=3 271 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [0,0,0,0,0,1|3,0,0]=4 272 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [0,0,0,0,0,1|3,0,0]=4 273 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [1,0,1,0,0,0|1,0,0]=3 274 B9R0.7 CC(=C/C=C(\C)/C(=O)N)C S880884 [1,0,1,0,0,0|1,0,1]=4 275 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|0,1,1]=4 278 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [2,0,0,0,0,0|1,0,0]=3 281 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [2,0,0,0,0,0|0,1,1]=4 290 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [2,0,0,0,0,0|1,0,0]=3 297 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [2,0,0,0,0,0|1,0,0]=3 299 B9R1.15 CC1=C(C=CC=C1)NN R580260 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [2,0,0,0,0,0|1,0,0]=3 302 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.15 COC1=CC=CC=C1N CDS000192 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [2,0,0,0,0,0|1,1,0]=4 314 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [2,0,0,0,0,0|1,0,0]=3 320 B9R1.69 CC1=CC(=CC=C1N)N S442275 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [2,0,0,0,0,0|1,0,1]=4 324 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [2,0,0,0,0,0|1,0,1]=4 328 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [2,0,0,0,0,0|1,0,1]=4 332 B11R0.145 COC(=O)/C(=C/C=C/C(=O)O)/C S890944 [0,1,1,0,0,0|2,0,0]=4 333 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [1,1,0,0,0,0|1,1,0]=4 338 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [1,1,0,0,0,0|1,1,0]=4 339 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [1,1,0,0,0,0|1,1,0]=4 346 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CI S534765 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)Br PH010299 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00049 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00050 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013111 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013337 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013753 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R162280 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R466972 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S430110 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500577 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500623 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S656747 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S822663 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862304 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862495 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862509 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862517 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862541 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862568 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S896683 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181021 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181307 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] CDS021472 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R428396 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R461695 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R646989 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R647012 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R662836 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R786624 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S22714 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S241970 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S244112 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S283258 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S283304 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S292257 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S312258 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S384585 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S47512 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S487325 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S638765 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S638862 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S64670 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S922897 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] T306266 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Br)Br S200956 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.19 CC1=CC=C(C=C1)[Te](C)(C)I S200972 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Cl)Cl S200948 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N CDS012661 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [1,1,0,0,0,0|0,0,0]=2 402 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Cl PH014636 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F CDS015050 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.21 CC1=C(C=C(C=C1)C(=S)N)F PH015302 [1,1,0,0,0,0|1,1,0]=4 409 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [1,1,0,0,0,0|1,1,0]=4 412 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [1,1,0,0,0,0|1,0,1]=4 413 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.21 CC1=CC=C(C=C1I)[N+](=O)[O-] S432938 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [1,1,0,0,0,0|1,0,1]=4 421 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [1,1,0,0,0,0|1,0,1]=4 422 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [1,1,0,0,0,0|1,0,1]=4 423 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [1,1,0,0,0,0|1,0,0]=3 424 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [1,1,0,0,0,0|0,0,1]=3 425 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [1,1,0,0,0,0|0,0,1]=3 426 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [1,1,0,0,0,0|1,0,0]=3 429 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [1,1,0,0,0,0|1,0,1]=4 430 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [1,1,0,0,0,0|1,0,1]=4 431 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [1,1,0,0,0,0|1,0,0]=3 433 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [1,1,0,0,0,0|0,0,0]=2 434 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [1,1,0,0,0,0|1,0,0]=3 436 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.22 COC(=O)C1=NC=C(C=N1)C PHB00068 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,1,0,0,0,0|1,0,0]=3 449 B11R1.37 COC1=C(N=C(C=C1)C)OC ADE000526 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [1,1,0,0,0,0|0,0,2]=4 451 B11R1.37 COC1=CC(=CN=C1C=O)Br ADE000491 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [1,1,0,0,0,0|1,0,0]=3 453 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.37 N#CC1=CC(=CC=C1C=O)Br CDS003721 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.37 N#CC1=CC(=CC=C1C=O)F CDS003658 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.81 C(=O)NC1=C(C=C(C=C1)Cl)Cl S576786 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.81 CC1=C(C=CC(=C1)Br)NC=O S624586 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.81 CC1=CC(=C(C=C1)/C=N/O)C L320153 [1,1,0,0,0,0|0,0,1]=3 460 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [1,1,0,0,0,0|0,0,0]=2 461 B11R1.81 CC1=CC=C(C(=C1)C)N=C=S S645451 [1,1,0,0,0,0|0,1,1]=4 462 B11R1.81 O=CNC1=C(C=C(C=C1)Br)Cl S746355 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.277 CC1=CC(=C(C=C1CCl)C)C S663352 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.277 CC1=CC(=C(C=C1CO)C)C PH015738 [1,1,0,0,0,0|0,0,2]=4 466 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.277 CC1=NC(=C(N=C1C=O)C)C PH018053 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [1,1,0,0,0,0|0,0,1]=3 470 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.277 O=CC1=CC(=C(C=C1Cl)O)Cl PH014528 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.277 O=CC1=CC(=C(C=C1F)Br)F CDS023621 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F CDS001118 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.278 CC1=C(C=CC(=C1C)N=O)O L168378 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.279 CC1=CC(=CC=C1C=O)C#N CDS024329 [1,1,0,0,0,0|0,0,1]=3 478 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [1,1,0,0,0,0|1,0,0]=3 481 B11R1.279 COC1=CC=C(C(=C1)Cl)C=O CDS013130 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [1,1,0,0,0,0|1,0,0]=3 484 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.464 C(=O)C1=C(C=C(C=C1O)Cl)Cl CDS004457 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.464 CC1=CC(=C(C(=C1)C)C#N)C S445924 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.464 CC1=CC(=C(C(=C1)C)CN)C CDS021956 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.464 CC1=CC(=C(C(=C1)C)[Hg]Cl)C S880779 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.464 CC1=CC(=C(C(=N1)C)C=O)C PH018796 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.464 CC1=CC(=CC(=C1C=O)C)O CDS003970 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.464 CC1=CC(=CC(=C1N=O)C)O PH009036 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.464 COC1=C(C=C(C=C1C)O)C PH009142 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [1,1,0,0,0,0|1,0,1]=4 495 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [1,1,0,0,0,0|0,0,1]=3 496 B11R1.53 CC(Br)C1=CC=CC=C1CBr L480363 [1,1,0,0,0,0|1,0,1]=4 497 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [1,1,0,0,0,0|1,0,0]=3 500 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [1,1,0,0,0,0|1,0,1]=4 503 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [1,1,0,0,0,0|1,0,1]=4 504 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [1,1,0,0,0,0|1,0,1]=4 505 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [1,1,0,0,0,0|1,0,0]=3 507 B11R1.87 CC1=CC=CC=C1S(=O)(=O)[O-] T330620 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.87 CC1=CC=CC=C1[Si](C)(C)C S837741 [1,1,0,0,0,0|1,1,0]=4 509 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [1,1,0,0,0,0|0,0,0]=2 512 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [1,1,0,0,0,0|1,0,0]=3 515 B11R1.156 CC1=CC=CC(=C1[N+](=O)[O-])F MNO000069 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [1,1,0,0,0,0|1,0,0]=3 522 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [1,1,0,0,0,0|1,0,0]=3 523 B11R1.159 CC1=C(C(=CC=C1)[C@H](C)N)C CDS015873 [1,1,0,0,0,0|1,0,1]=4 524 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [1,1,0,0,0,0|1,0,0]=3 525 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [1,1,0,0,0,0|1,0,0]=3 526 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [1,1,0,0,0,0|1,0,0]=3 527 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [1,1,0,0,0,0|1,0,0]=3 528 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [1,1,0,0,0,0|1,0,0]=3 535 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [1,1,0,0,0,0|1,0,1]=4 540 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C S380059 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.167 CC1=CC=C(C=C1C(=N)N)F PH015014 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.167 CC1=CC=C(C=C1N(C)C)Cl S504246 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [1,1,0,0,0,0|1,0,1]=4 558 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [1,1,0,0,0,0|1,0,0]=3 559 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [1,1,0,0,0,0|1,0,0]=3 560 B11R1.222 CCN(N)C1=CC=CC=C1C PH012201 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [1,1,0,0,0,0|1,0,0]=3 562 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [1,1,0,0,0,0|0,0,0]=2 563 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [1,1,0,0,0,0|1,0,0]=3 564 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [1,1,0,0,0,0|1,1,0]=4 566 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.222 COC(=O)C1=C(C=NN=C1)C PHB00238 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [1,1,0,0,0,0|1,0,1]=4 572 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [1,1,0,0,0,0|1,0,1]=4 573 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [1,1,0,0,0,0|1,0,1]=4 574 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.50 CC1=C(C=C(O1)CO)C(=O)O CDS012935 [0,1,0,0,1,0|2,0,0]=4 578 B11R1.225 COC(=O)C1=C(SC(=C1)C)N CBR01148 [0,1,0,0,1,0|2,0,0]=4 579 B11R1.225 COC(=O)C1=CC(=CN1C)Br ANV00082 [0,1,0,0,1,0|2,0,0]=4 580 B11R1.225 COC(=O)C1=CC(=CN1C)N ANV00044 [0,1,0,0,1,0|2,0,0]=4 581 B11R1.673 CC(=O)C1=C(NC(=C1C)C)C PH008921 [0,1,0,0,1,0|1,0,0]=3 582 B11R1.673 CC1=C(C(=C(N1)C)C(=O)O)C PH014755 [0,1,0,0,1,0|2,0,0]=4 583 B11R1.865 COC(=O)C1=CC=C(N1C)N CDS021001 [0,1,0,0,1,0|2,0,0]=4 584 B13R1.51 CCC1=C(C=CC(=C1)Br)NC(=O)C S309591 [0,1,0,0,0,1|1,0,0]=3 585 B13R1.653 CC(=O)OC1=COC(=CC1=O)CCl PH009261 [0,1,0,0,0,1|2,0,0]=4 586 B13R1.653 COC1=CC(=C(C=C1)CC(C)Br)C S319856 [0,1,0,0,0,1|1,0,1]=4 587 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C PH011098 [0,1,0,0,0,1|0,0,0]=2 588 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)N CDS004189 [0,1,0,0,0,1|1,0,0]=3 589 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)O S671819 [0,1,0,0,0,1|1,0,0]=3 590 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)Br)C S803685 [0,1,0,0,0,1|1,0,0]=3 591 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)I)C L168319 [0,1,0,0,0,1|1,0,0]=3 592 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)C)O S582514 [0,1,0,0,0,1|1,0,0]=3 593 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)Cl)Cl S558389 [0,1,0,0,0,1|2,0,0]=4 594 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)I)C)C L168114 [0,1,0,0,0,1|0,0,0]=2 595 B13R1.876 CC(=O)NC1=CC(=C(C=C1Br)C)C L168262 [0,1,0,0,0,1|1,0,0]=3 596 B13R1.876 CC(=O)NC1=CC(=C(C=C1C)F)Cl PHB00099 [0,1,0,0,0,1|1,0,0]=3 597 B13R1.876 CC(=O)NC1=CC(=C(C=C1I)C)C L168475 [0,1,0,0,0,1|1,0,0]=3 598 B13R1.876 CC(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl PH009741 [0,1,0,0,0,1|2,0,0]=4 599 B13R1.876 CC(=O)OC1=CC(=C(C=C1Br)C)Br S310026 [0,1,0,0,0,1|1,0,0]=3 600 B13R1.883 CC1=CC(=C(C=C1)NS(=O)(=O)C)C S514004 [0,1,0,0,0,1|1,0,0]=3 601 B13R1.883 CC1=CC(=C(C=C1)NS(=O)(=O)C)Cl T100005 [0,1,0,0,0,1|2,0,0]=4 602 B13R1.2679 CC1=C(C=CC(=C1)Br)NC(=O)CCl S878456 [0,1,0,0,0,1|1,0,0]=3 603 B13R1.2679 CC1=C(C=CC(=C1)Cl)NC(=O)CCl S378097 [0,1,0,0,0,1|1,0,0]=3 604 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)Br R703680 [0,1,0,0,0,1|1,0,0]=3 605 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)C R590169 [0,1,0,0,0,1|0,0,0]=2 606 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)Cl TMT00602 [0,1,0,0,0,1|1,0,0]=3 607 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CI)C L172650 [0,1,0,0,0,1|0,0,0]=2 608 B13R1.2679 CC1=CC(=C(C=C1)NC(=S)C#N)C S898694 [0,1,0,0,0,1|0,1,1]=4 609 B13R1.2679 CC1=CC=C(C(=C1)C)NC(=O)NN S924512 [0,1,0,0,0,1|1,0,0]=3 610 B13R1.2679 CC1=CC=C(C(=C1)C)NC(=S)NN CDS000648 [0,1,0,0,0,1|1,1,0]=4 611 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)C)C S890308 [0,1,0,0,0,1|0,0,0]=2 612 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)Cl)C S772763 [0,1,0,0,0,1|1,0,0]=3 613 B13R1.2679 CNC(=O)NC1=C(C=C(C=C1)C)C S606782 [0,1,0,0,0,1|0,0,0]=2 614 B13R1.2679 CNC(=O)NC1=CC=C(C=C1C)Cl S638129 [0,1,0,0,0,1|1,0,0]=3 615 B13R1.2679 CNC(=O)NC1=CC=C(C=C1Cl)Cl S613517 [0,1,0,0,0,1|2,0,0]=4 616 B13R1.2679 CNC(=O)OC1=CC=C(C=C1Br)Br S867209 [0,1,0,0,0,1|2,0,0]=4 617 B13R1.2679 CNC(=O)OC1=CC=C(C=C1Cl)Cl S724378 [0,1,0,0,0,1|2,0,0]=4 618 B13R1.2679 CNC(=S)NC1=C(C=C(C=C1)C)C PH011678 [0,1,0,0,0,1|0,1,0]=3 619 B13R1.2679 COC(=O)CC1=C(C=C(C=C1)F)Cl TMT00408 [0,1,0,0,0,1|2,0,0]=4 620 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)C)C S606839 [0,1,0,0,0,1|0,0,0]=2 621 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)C S625272 [0,1,0,0,0,1|1,0,0]=3 622 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)Cl S612839 [0,1,0,0,0,1|2,0,0]=4 623 B13R1.2679 COC(=O)OC1=CC=C(C=C1Cl)F PH016916 [0,1,0,0,0,1|2,0,0]=4 624 B13R1.2679 O=C(CCl)NC1=C(C=C(C=C1)Br)F TMT00589 [0,1,0,0,0,1|2,0,0]=4 625 B13R1.2679 O=C(CCl)NC1=C(C=C(C=C1)Cl)Cl S385301 [0,1,0,0,0,1|2,0,0]=4 626 B13R1.2679 O=C(CCl)NC1=CC=C(C=C1Cl)Br S921467 [0,1,0,0,0,1|2,0,0]=4 627 B13R1.2679 O=C(CCl)NC1=CC=C(C=C1O)O PH008556 [0,1,0,0,0,1|2,0,0]=4 628 B13R1.2679 O=C(CCl)OC1=CC=C(C=C1Cl)Cl PH008786 [0,1,0,0,0,1|2,0,0]=4 629 B13R1.2679 [NH4]SC(=S)NC1=CC=C(C=C1C)C S537047 [0,1,0,0,0,1|1,1,0]=4 630 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)Br)C L168351 [0,1,0,0,0,1|1,0,0]=3 631 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)C)C T118427 [0,1,0,0,0,1|0,0,0]=2 632 B13R1.2808 CC(=O)NC1=C(C=C(C=C1Cl)Cl)Cl S715417 [0,1,0,0,0,1|2,0,0]=4 633 B13R1.2808 CC(=O)NC1=C(C=C(C=C1Cl)N)Cl S373052 [0,1,0,0,0,1|2,0,0]=4 634 B13R1.2808 CC(=O)OC1=C(C=C(C=C1Br)C)Br PH004317 [0,1,0,0,0,1|1,0,0]=3 635 B13R1.2808 CC(=O)OC1=C(C=C(C=C1C)Br)C OTV000040 [0,1,0,0,0,1|1,0,0]=3 636 B13R1.2808 CC(=O)OC1=C(C=C(C=C1Cl)Cl)Cl T331015 [0,1,0,0,0,1|2,0,0]=4 637 B13R1.2808 CC1=CC(=C(C(=C1)C)C=[N+](C)[O-])C S36707 [0,1,0,0,0,1|1,0,1]=4 638 B13R1.2808 CC1=CC(=C(C(=C1)C)NC(=O)N)C S677655 [0,1,0,0,0,1|1,0,0]=3 639 B13R1.2808 CC1=CC(=C(C(=C1)C)NC(=S)N)C R258083 [0,1,0,0,0,1|1,1,0]=4 640 B13R1.2808 CC1=CC(=[N+](C(=C1)C)CC(=O)O)C S243108 [0,1,0,0,0,1|2,0,0]=4 641 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Br)C)C L168130 [0,1,0,0,0,1|1,0,0]=3 642 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)C)Br)C S931926 [0,1,0,0,0,1|0,0,0]=2 643 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Cl)Cl)Cl S558451 [0,1,0,0,0,1|2,0,0]=4 644 B13R1.3528 CC(=O)NC1=CC=C(C(=C1C)C)I L168181 [0,1,0,0,0,1|1,0,0]=3 645 B13R1.53 COC1=C(C=CC(=C1)C)C(C)(C)C R278661 [0,2,0,0,0,0|1,0,1]=4 646 B13R1.53 COC1=CC(=CC=C1S(=O)(=O)N)C CDS021660 [0,2,0,0,0,0|2,0,0]=4 647 B13R1.99 COC1=CC(=C(C=C1)C(=S)N)OC JRD0785 [0,2,0,0,0,0|1,1,0]=4 648 B13R1.99 COC1=CC=C(C(=C1)OC)C(C)O PH017427 [0,2,0,0,0,0|0,0,2]=4 649 B13R1.165 CC(=O)C1=C(C=CC(=C1)C)[N+](=O)[O-] UPL0035 [0,2,0,0,0,0|2,0,0]=4 650 B13R1.165 CC(=O)C1=CC(=CC=C1S(=O)C)C S707120 [0,2,0,0,0,0|1,0,0]=3 651 B13R1.356 N#CCC1=CC(=CC=C1C(=O)O)Br CDS024559 [0,2,0,0,0,0|2,0,0]=4 652 B13R1.2065 COC(=O)C1=CC=C(C=C1OC)F VBP00106 [0,2,0,0,0,0|1,0,0]=3 653 B13R1.2065 COC(=O)C1=NC=C(C=C1OC)Br ADE000636 [0,2,0,0,0,0|2,0,0]=4 654 B13R1.2398 COC1=C(C=C(C(=C1)C)Cl)C(=O)C JRD1261 [0,2,0,0,0,0|0,0,0]=2 655 B13R1.2398 COC1=CC(=C(C=C1C(C)C)Br)C OTV000707 [0,2,0,0,0,0|1,0,1]=4 656 B13R1.2398 COC1=CC(=C(C=C1C(C)C)Cl)C S720410 [0,2,0,0,0,0|1,0,1]=4 657 B13R1.877 CC1=CC(=C(C=C1N)S(=O)(=O)O)C S357901 [0,2,0,0,0,0|2,0,0]=4 658 B13R1.877 CC1=CC(=C(C=C1S(=O)(=O)O)C)C S370487 [0,2,0,0,0,0|2,0,0]=4 659 B13R1.2809 CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C R257540 [0,2,0,0,0,0|2,0,0]=4 660 B13R1.2809 CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C T330345 [0,2,0,0,0,0|2,0,0]=4 661 B13R1.651 CC(=O)C1=CC(=C(N=C1C)Cl)C#N PH014694 [0,2,0,0,0,0|2,0,0]=4 662 B13R1.651 COC1=C(C=C(C(=C1)C(=O)C)F)Cl PH017273 [0,2,0,0,0,0|2,0,0]=4 663 B13R1.652 COC1=C(C=C(C(=C1)C)[N+](=O)[O-])C PH009429 [0,2,0,0,0,0|2,0,0]=4 664 B13R1.652 COC1=CC(=C(C=C1Br)[N+](=O)[O-])C PH004704 [0,2,0,0,0,0|2,0,0]=4 665 B13R1.652 COC1=CC(=C(C=C1F)[N+](=O)[O-])C PH009435 [0,2,0,0,0,0|2,0,0]=4 666 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)C)C)O JRD1482 [0,2,0,0,0,0|1,0,0]=3 667 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)C)O PH011664 [0,2,0,0,0,0|1,0,0]=3 668 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)O)O L498912 [0,2,0,0,0,0|2,0,0]=4 669 B13R1.1807 CNC(=O)C1=CC(=C(C=C1F)Cl)F PH001890 [0,2,0,0,0,0|2,0,0]=4 670 B13R1.2811 CC(=O)C1=C(C(=C(C(=C1)C)O)C)C R733431 [0,2,0,0,0,0|1,0,0]=3 671 B13R1.2811 CC(=O)C1=C(C(=C(C(=C1)F)F)F)F T340553 [0,2,0,0,0,0|2,0,0]=4 672 B13R1.2811 CC1=C(C(=C(C(=C1)C(=O)O)C)C)C S35158 [0,2,0,0,0,0|1,0,0]=3 673 B13R1.2811 CC1=C(C(=C(C=C1Br)C(=O)O)C)C L119466 [0,2,0,0,0,0|1,0,0]=3 674 B13R1.2811 CC1=C(C(=C(C=C1Br)[N+](=O)[O-])C)C S53164 [0,2,0,0,0,0|2,0,0]=4 675 B13R1.2812 CC1=C(C(=CC(=C1C(=O)O)F)F)F CDS022263 [0,2,0,0,0,0|2,0,0]=4 676 B13R1.2812 CC1=C(C(=O)C(=C(N1)C)C(=O)N)Br R438731 [0,2,0,0,0,0|2,0,0]=4 677 B13R1.2812 CC1=CC(=C(C(=C1C)C)C(=O)O)C S53261 [0,2,0,0,0,0|1,0,0]=3 678 B13R1.2812 CC1=CC(=C(C(=C1O)Br)C(=O)O)C S663069 [0,2,0,0,0,0|1,0,0]=3 679 B13R1.2812 CC1=CC(=C(C(=O)N1N)C(=O)N)C PH009831 [0,2,0,0,0,0|2,0,0]=4 680 B13R1.2812 CC1=NC(=C(C(=C1C(=O)O)O)Br)C R456861 [0,2,0,0,0,0|2,0,0]=4 681 B13R1.2812 CC1=NC(=C(C(=C1C(=O)O)O)I)C R456608 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.95 COC(=O)C1=CC=C(C=C1N)OC CDS022292 [0,2,0,0,0,0|1,0,0]=3 683 B13R1.95 COC(=O)C1=CN=C(N=C1C)SC KOB0007 [0,2,0,0,0,0|2,0,0]=4 684 B13R1.95 COC1=CC=C(C(=C1)F)C(=O)CBr PH015015 [0,2,0,0,0,0|1,0,0]=3 685 B13R1.95 COC1=CC=C(C(=C1)O)C(=O)CCl R462276 [0,2,0,0,0,0|1,0,0]=3 686 B13R1.120 CC(=O)C1=C(N=C(N=C1)N(C)C)C S215996 [0,2,0,0,0,0|2,0,0]=4 687 B13R1.120 CC(=O)C1=CC=C(C=C1N)[N+](=O)[O-] S639966 [0,2,0,0,0,0|2,0,0]=4 688 B13R1.120 CN(C)C1=CC=C(C(=C1)O)C(=O)O S462195 [0,2,0,0,0,0|2,0,0]=4 689 B13R1.385 CC1=CC(=CC=C1[N+](=O)[O-])CCO PH008018 [0,2,0,0,0,0|2,0,0]=4 690 B13R1.385 CCOC1=CC=C(C(=C1)O)C(=O)O S438081 [0,2,0,0,0,0|2,0,0]=4 691 B13R1.3096 COC1=C(C(=C(C=C1)C(=O)C)O)O TMT00632 [0,2,0,0,0,0|1,0,0]=3 692 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O R156752 [0,2,0,0,0,0|2,0,0]=4 693 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O S463744 [0,2,0,0,0,0|2,0,0]=4 694 B13R1.1808 COC(=O)C1=CC=C(C(=C1C)C)C S53318 [0,2,0,0,0,0|0,0,0]=2 695 B13R1.4656 CC1=CC(=C(C(=C1)C)C(=O)CBr)C PH016230 [0,2,0,0,0,0|0,0,0]=2 696 B13R1.4656 CC1=CC(=C(C(=C1)C)C(=O)CCl)C OTV000343 [0,2,0,0,0,0|0,0,0]=2 697 B13R1.4656 CCC(=O)C1=C(C=C(C=C1O)C)C PH004672 [0,2,0,0,0,0|0,0,0]=2 698 B13R1.4656 CCC(=O)C1=C(C=C(C=C1O)O)O CDS021476 [0,2,0,0,0,0|2,0,0]=4 699 B13R1.4656 COC(=N)C1=C(C=C(C=C1C)C)C T172251 [0,2,0,0,0,0|1,0,0]=3 700 B13R1.4656 COC(=O)C1=C(C=C(C=C1Cl)Cl)Cl PH011192 [0,2,0,0,0,0|2,0,0]=4 701 B13R1.4656 COC(=O)C1=C(C=C(C=C1O)O)O S443034 [0,2,0,0,0,0|2,0,0]=4 702 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)C)C OTV000738 [0,2,0,0,0,0|0,0,0]=2 703 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)O PH007973 [0,2,0,0,0,0|2,0,0]=4 704 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)C)C PH011191 [0,2,0,0,0,0|0,0,0]=2 705 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)N PH000524 [0,2,0,0,0,0|2,0,0]=4 706 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)N)Cl PH000496 [0,2,0,0,0,0|2,0,0]=4 707 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)O)O S947784 [0,2,0,0,0,0|2,0,0]=4 708 B13R1.1511 CCOC(=O)C1=C(N=C(C=C1)C)Cl PH003495 [0,2,0,0,0,0|2,0,0]=4 709 B13R1.1511 CCOC(=O)C1=C(NC(=O)C=C1)C PHB00274 [0,2,0,0,0,0|2,0,0]=4 710 B13R1.1511 COCC(=O)C1=CC=C(C=C1O)O S863483 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O T326682 [0,0,1,1,0,0|2,0,0]=4 712 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,0,1,1,0,0|0,0,2]=4 713 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,0,1,1,0,0|2,0,0]=4 714 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [1,0,0,1,0,0|1,0,0]=3 715 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [1,0,0,1,0,0|2,0,0]=4 716 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [1,0,0,1,0,0|2,0,0]=4 717 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [1,0,0,1,0,0|2,0,0]=4 718 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [1,0,0,1,0,0|2,0,0]=4 719 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [1,0,0,1,0,0|2,0,0]=4 720 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [1,0,0,1,0,0|1,0,1]=4 721 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [1,0,0,1,0,0|2,0,0]=4 722 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,0,0,1,0,0|2,0,0]=4 723 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,1,0,0|2,0,0]=4 724 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,1,0,0|1,0,0]=3 725 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,1,0,0|2,0,0]=4 726 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,0,0,1,0,1|0,0,0]=2 727 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,0,0,1,0,1|0,0,0]=2 728 B13R2.3683 CC1=CN=C2NC(=O)CCC2=C1 ADE000851 [0,0,0,1,0,1|1,0,0]=3 729 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [0,0,0,1,0,1|1,0,0]=3 730 B13R2.3683 O=C1CCC2=CC(=CC=C2S1)Cl IDF00017 [0,0,0,1,0,1|1,0,0]=3 731 B13R2.3683 O=C1CCC2=CC(=CN=C2N1)F ADE000853 [0,0,0,1,0,1|2,0,0]=4 732 B13R2.3683 O=C1COC2=CC(=CC=C2N1)O OTV000448 [0,0,0,1,0,1|2,0,0]=4 733 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)F JRD0648 [0,0,0,1,0,1|2,0,0]=4 734 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,0,0,1,0,1|2,0,0]=4 735 B13R2.5397 CC1=CC(=C2SC(=NC2=C1)N)C T314145 [0,0,0,1,0,1|2,0,0]=4 736 B13R2.5397 CC1=CC2=C(NC(=N)S2)C(=C1)C S501344 [0,0,0,1,0,1|1,1,0]=4 737 B13R2.5397 CC1=CC2=C(NC(=S)N2)C(=C1)C L202940 [0,0,0,1,0,1|1,1,0]=4 738 B13R2.5397 CC1=CC2=C(SC(=N2)C)C(=C1)C L203300 [0,0,0,1,0,1|1,0,0]=3 739 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCC2 S58085 [0,1,0,1,0,0|0,0,0]=2 740 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCO2 PH002854 [0,1,0,1,0,0|0,0,0]=2 741 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NC=N2 S658324 [0,1,0,1,0,0|1,0,1]=4 742 B13R2.5179 O=C1C=C2CCCC(=O)C2=CN1 PH008527 [0,1,0,1,0,0|2,0,0]=4 743 B13R2.5179 O=C1C=CC2=C(N1)CCCC2=O T326186 [0,1,0,1,0,0|2,0,0]=4 744 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)Br T263710 [0,1,0,1,0,0|1,0,0]=3 745 B13R2.5179 O=C1CCCC2=CC(=CC=C12)Cl JRD0960 [0,1,0,1,0,0|1,0,0]=3 746 B13R2.5179 O=C1CCOC2=CC(=CC=C12)O PH011288 [0,1,0,1,0,0|1,0,0]=3 747 B13R2.5187 CC1CC(=O)C2=C1C=C(C=C2)O PH008300 [0,1,0,1,0,0|1,0,0]=3 748 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 R462292 [0,1,0,1,0,0|1,0,0]=3 749 B13R2.2130 COC1=CC=C2C(=O)NCC2=C1 CDS009260 [0,1,0,1,0,0|1,0,0]=3 750 B13R2.11642 CC1=CC2=C(C(=O)OC2)C(=N1)N CDS008980 [0,1,0,1,0,0|2,0,0]=4 751 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,1,0,1,0,0|1,0,1]=4 752 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [0,1,0,1,0,0|2,0,0]=4 753 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [1,0,0,0,1,0|1,0,0]=3 755 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [1,0,0,0,1,0|2,0,0]=4 756 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [1,0,0,0,1,0|2,0,0]=4 757 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [1,0,0,0,1,0|2,0,0]=4 758 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [1,0,0,0,1,0|2,0,0]=4 759 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [1,0,0,0,1,0|1,0,0]=3 760 B9R1.22 CC1=NN(C(=C1)C=O)C TMT00498 [1,0,0,0,1,0|2,0,0]=4 761 B9R1.41 CC(=O)C1=C(NN=C1)C CBR01622 [1,0,0,0,1,0|2,0,0]=4 762 B9R1.41 CC(=O)C1=CNC=C1C L164399 [1,0,0,0,1,0|1,0,0]=3 763 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [1,0,0,0,1,0|2,0,0]=4 764 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [1,0,0,0,1,0|2,0,0]=4 765 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [1,0,0,0,1,0|2,0,0]=4 766 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [1,0,0,0,1,0|2,0,0]=4 767 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,0,0,0,0,1|2,0,0]=4 768 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,0,0,0,0,1|2,0,0]=4 769 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,0,0,0,0,1|1,0,0]=3 770 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,0,0,0,0,1|1,0,0]=3 771 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [1,0,0,0,0,1|1,0,0]=3 772 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [1,0,0,0,0,1|1,0,0]=3 773 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [1,0,0,0,0,1|1,0,0]=3 774 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [1,0,0,0,0,1|1,0,0]=3 775 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [1,0,0,0,0,1|2,0,0]=4 776 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [1,0,0,0,0,1|1,0,0]=3 777 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,0,0,0,0,1|0,0,0]=2 778 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,0,0,0,0,1|1,0,0]=3 779 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,0,0,0,0,1|1,0,0]=3 780 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [1,0,0,0,0,1|2,0,0]=4 781 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [1,0,0,0,0,1|2,0,0]=4 782 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,0,0,0,0,1|1,0,0]=3 783 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [1,0,0,0,0,1|1,1,0]=4 784 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [1,0,0,0,0,1|2,0,0]=4 785 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [1,0,0,0,0,1|2,0,0]=4 786 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,0,0,0,0,1|2,0,0]=4 787 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [1,0,0,0,0,1|2,0,0]=4 788 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [1,0,0,0,0,1|2,0,0]=4 789 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [1,0,0,0,0,1|2,0,0]=4 790 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [1,0,0,0,0,1|2,0,0]=4 791 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [1,0,0,0,0,1|1,0,0]=3 792 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [1,0,0,0,0,1|1,0,0]=3 793 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [1,0,0,0,0,1|1,0,0]=3 794 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [1,0,0,0,0,1|1,0,0]=3 795 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [1,0,0,0,0,1|0,0,0]=2 796 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [1,0,0,0,0,1|2,0,0]=4 797 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [1,0,0,0,0,1|2,0,0]=4 798 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [1,0,0,0,0,1|2,0,0]=4 799 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [1,0,0,0,0,1|2,0,0]=4 800 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [1,0,0,0,0,1|2,0,0]=4 801 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [1,0,0,0,0,1|1,0,0]=3 802 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [1,0,0,0,0,1|2,0,0]=4 803 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [1,0,0,0,0,1|1,0,0]=3 804 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [1,0,0,0,0,1|2,0,0]=4 805 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [1,0,0,0,0,1|1,0,0]=3 806 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,0,0,0,0,1|2,0,0]=4 807 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,0,0,0,0,1|2,0,0]=4 808 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,0,0,0,0,1|2,0,0]=4 809 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,0,0,0,0,1|2,0,0]=4 810 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [1,0,0,0,0,1|2,0,0]=4 811 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [1,0,0,0,0,1|2,0,0]=4 812 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [1,0,0,0,0,1|2,0,0]=4 813 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,0,0,0,0,1|2,0,0]=4 814 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [1,0,0,0,0,1|2,0,0]=4 815 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [0,0,0,0,1,1|1,0,0]=3 816 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [0,0,0,0,1,1|2,0,0]=4 817 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C S369373 [0,0,0,0,1,1|1,0,1]=4 818 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [0,0,0,0,1,1|2,0,0]=4 819 B11R1.74 CC1=CC(=O)C=C(O1)C(=O)O CBR01516 [0,0,0,0,1,1|2,0,0]=4 820 B13R1.164 CC(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl R613541 [0,0,0,0,0,2|2,0,0]=4 821 B13R1.164 CC(=O)NNC1=C(C=C(C=C1)C)N S926396 [0,0,0,0,0,2|1,0,0]=3 822 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)[O-] R750271 [0,0,0,0,0,2|2,0,0]=4 823 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)O)C L172472 [0,0,0,0,0,2|1,0,0]=3 824 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)N S398012 [0,0,0,0,0,2|2,0,0]=4 825 B13R1.164 CC1=CC(=CC=C1OCC(=O)N)Cl R631132 [0,0,0,0,0,2|2,0,0]=4 826 B13R1.164 CC1=CC=C(C(=C1)Br)OCC(=O)O S697141 [0,0,0,0,0,2|2,0,0]=4 827 B13R1.164 CC1=CC=C(C(=C1)C)/C=C/C(=O)O KOB0165 [0,0,0,0,0,2|1,0,0]=3 828 B13R1.164 CC1=CC=C(C(=C1)C)/C=C/[N+](=O)[O-] R594113 [0,0,0,0,0,2|2,0,0]=4 829 B13R1.164 CC1=CC=C(C(=C1)C)CCC(=O)O R245275 [0,0,0,0,0,2|1,0,0]=3 830 B13R1.164 CC1=CC=C(C(=C1)C)OCC(=O)O R703249 [0,0,0,0,0,2|1,0,0]=3