0 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.167 CC1=CC=C(C(=C1)B(O)O)Cl CDS006317 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.167 CC1=CC=C(C(=C1)N(C)C)Br S820725 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C S380059 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [0,0,0,0,0,0|3,1,0]=4 17 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.167 O=[N+]([O-])C1=CC(=CN=C1Br)Br ADE000413 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.167 O=[N+]([O-])C1=CC(=CN=C1Br)Cl ADE000433 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.167 O=[N+]([O-])C1=CC(=CN=C1Br)I ADE000431 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,0,0,0,0,0|1,0,1]=3 51 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [1,0,0,0,0,0|0,1,0]=2 56 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [1,0,0,0,0,0|0,0,1]=2 57 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,0,0,0,0,0|1,0,2]=4 58 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,0,0,0,0,0|1,2,0]=4 59 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [1,0,0,0,0,0|2,1,0]=4 65 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [1,0,0,0,0,0|1,0,0]=2 72 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [1,0,0,0,0,0|3,0,0]=4 74 B12R1.46 CC1=CC(=C(C=C1)N=N)C(=O)O S443069 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.46 CNC1=C(C=C(C=N1)Cl)[N+](=O)[O-] S197718 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.46 CNC1=CC=C(C=C1[N+](=O)[O-])C PH010710 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.46 CNC1=NC=C(C=C1[N+](=O)[O-])Br ADE000427 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.46 COC1=C(C=C(C=C1)Br)C(=O)Cl R703273 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C IDF00003 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.46 COC1=CC=C(C=C1C(=O)C)C S883360 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.46 COC1=CC=C(C=C1C(=O)N)Cl L255351 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.46 COC1=CC=C(C=C1[N+](=O)[O-])Cl S426830 [0,1,0,0,0,0|1,0,0]=2 83 B12R1.46 COC1=NC=C(C=C1C(=O)C)C ADE000759 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.46 COC1=NC=C(C=C1C(=O)O)C ADE000767 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.46 COC1=NC=C(C=C1[N+](=O)[O-])Br ADE000429 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.46 CSC1=C(C=C(C=C1)C)C(=O)C PH014774 [0,1,0,0,0,0|2,1,0]=4 87 B12R1.46 NCC1=C(C=C(C=C1)Cl)[N+](=O)[O-] PH012596 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.46 O=[N+]([O-])C1=CC(=CC=C1SCl)Cl PH008771 [0,1,0,0,0,0|1,1,0]=3 89 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)C S915947 [0,1,0,0,0,0|1,1,1]=4 90 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)Cl S311626 [0,1,0,0,0,0|1,1,1]=4 91 B12R1.128 CC1=CC=C(C(=C1)S(=O)(=O)N)C S505501 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.128 CC1=CC=C(C(=C1)S(=O)(=O)O)C S563609 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.128 NC1=CC=C(C(=C1)S(=O)(=O)O)O S357820 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.128 O=S(=O)([O-])C1=CC(=CC=C1O)O S430366 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.232 CC1=C(C=C(C(=C1)[N+](=O)[O-])N)Br S922072 [0,1,0,0,0,0|1,0,0]=2 104 B12R1.232 CC1=C(C=C(C(=N1)Cl)Br)[N+](=O)[O-] CDS021075 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.232 CC1=CC(=C(C=C1Br)Cl)[N+](=O)[O-] R276979 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.232 CC1=CC(=C(C=C1Br)[N+](=O)[O-])N SYX00368 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.232 CC1=CC(=C(C=C1Cl)C)[N+](=O)[O-] S531057 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.232 CC1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-] S752096 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.232 CC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl S753033 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.232 CC1=CC(=C(C=C1N)[N+](=O)[O-])C S740365 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])N)Br MNO000160 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.232 NC1=C(C=C(C(=C1)Cl)[N+](=O)[O-])N PH011132 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.232 NC1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-] S908584 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.232 O=[N+]([O-])C1=C(C=C(C(=C1)Br)F)F KOB0017 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.232 O=[N+]([O-])C1=C(C=C(C(=C1)F)O)F CDS006679 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.232 O=[N+]([O-])C1=C(C=C(C(=C1)O)Cl)F R548561 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.232 O=[N+]([O-])C1=CC(=C(C=C1Cl)Cl)Cl PH016096 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.232 O=[N+]([O-])C1=CC(=C(C=C1F)F)O CDS016495 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.354 CC1=CC(=C(C=C1)C)C(=O)CBr PH015659 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.354 CC1=CC=C(C(=C1)C(=O)CCl)C OTV000347 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PH011673 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.354 COC(=O)C1=C(C=CC(=C1)C)N PH006897 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.354 COC(=O)C1=CC(=CC=C1O)I S352977 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Br PH010958 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Cl R299804 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.453 CCC1=CC=C(C(=C1)[N+](=O)[O-])N S753025 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.453 COC1=CC=C(C(=C1)C(=O)N)N BBO000414 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)Cl ANV00090 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.453 COC1=CC=C(C(=C1)[N+](=O)[O-])I S544981 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.453 CSC1=CC(=C(C=C1)Cl)C(=O)N EME00443 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.453 CSC1=CC(=C(C=C1)N)[N+](=O)[O-] PH011255 [0,1,0,0,0,0|1,0,0]=2 135 B12R1.453 CSC1=CC=C(C(=C1)C(=O)O)O S449385 [0,1,0,0,0,0|1,0,1]=3 136 B12R1.453 O=CC1=CN=C(C(=C1)[N+](=O)[O-])Cl PH014907 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.453 O=[N+]([O-])C1=CC(=CC=C1F)[Hg]Cl S881872 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.511 CC(=O)C1=CC(=CC(=C1O)C)C IDF00002 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.511 CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-] PH011662 [0,1,0,0,0,0|0,0,0]=1 140 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)Br CDS023505 [0,1,0,0,0,0|1,0,1]=3 141 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)C R179574 [0,1,0,0,0,0|1,0,1]=3 142 B12R1.511 CC1=CC(=C(C(=C1)Cl)O)C(=O)O PH008020 [0,1,0,0,0,0|1,0,1]=3 143 B12R1.511 CC1=CC(=C(C(=C1)F)O)[N+](=O)[O-] PH009203 [0,1,0,0,0,0|0,0,0]=1 144 B12R1.511 CC1=CC(=C(C(=C1)I)O)[N+](=O)[O-] PH011658 [0,1,0,0,0,0|0,0,0]=1 145 B12R1.511 NC(=O)C1=CC(=CC(=C1O)Br)Br R161454 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.511 NC1=C(C(=CC(=C1)Cl)C(=O)[O-])Cl S434795 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.511 NC1=C(C=C(C=C1I)I)[N+](=O)[O-] L168440 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.511 O=C(O)C1=CC(=CC(=C1O)F)F CDS022226 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.511 O=[N+]([O-])C1=C(C(=CC(=C1)Br)Br)O S415758 [0,1,0,0,0,0|1,0,0]=2 150 B12R1.894 CC(=O)C1=C(C=CC(=C1O)C)O S81532 [0,1,0,0,0,0|2,0,0]=3 151 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)O)Cl S656658 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.894 CC1=C(C(=C(C=C1)N)C(=O)O)Br TMT00142 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.894 CC1=C(C=CC(=C1[N+](=O)[O-])O)Br PH008038 [0,1,0,0,0,0|1,0,0]=2 154 B12R1.894 CC1=CC=C(C(=C1I)C(=O)O)I L511919 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.894 CC1=CC=C(C(=C1[N+](=O)[O-])C)Br S815942 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.894 O=C(O)C1=C(C=CC(=C1O)Br)O PH014538 [0,1,0,0,0,0|2,0,1]=4 157 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,0,0,1,0,0|3,0,0]=4 158 B10R1.59 CC1=NC(=C(N1)[N+](=O)[O-])Br PH000228 [0,0,0,0,1,0|3,0,0]=4 159 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,0,0,0,0,1|2,0,0]=3 160 B12R1.127 CC1=CC=C(C(=C1)CN(C)C)O PH019553 [0,0,0,0,0,1|2,0,1]=4 161 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [2,0,0,0,0,0|1,1,0]=4 163 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [2,0,0,0,0,0|1,0,1]=4 165 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [2,0,0,0,0,0|1,0,1]=4 174 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [2,0,0,0,0,0|1,0,1]=4 178 B11R1.8 CC1=CC(=C(C(=C1)C=O)O)C CDS009678 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.37 C(=O)C1=C(C=CC(=C1)Cl)OC CDS005116 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.37 COC1=CC=C(C=C1C=O)O CDS008229 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.37 COC1=NC=C(C=C1C=O)C ADE000766 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.72 CC1=CC=C(C(=C1F)C=O)F CDS001752 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.53 NSC1=C(C=CC=C1)[N+](=O)[O-] T161500 [1,1,0,0,0,0|0,1,0]=3 196 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.87 CC1=CC=CC=C1S(=O)(=O)[O-] T330620 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1O T330655 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.156 CC1=CC=CC(=C1[N+](=O)[O-])F MNO000069 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.156 NC1=C(C(=CC=C1)F)[N+](=O)[O-] CDS011868 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.156 NC1=C(C(=NC=C1)Br)[N+](=O)[O-] PHB00245 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.156 O=[N+]([O-])C1=C(C=CC=C1O)F CDS004611 [1,1,0,0,0,0|0,0,0]=2 208 B11R1.156 O=[N+]([O-])C1=C(C=CN=C1O)O R436798 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.159 NC1=C(C(=CC=C1)[N+](=O)[O-])Cl CDS020839 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.159 NC1=C(C=NC=C1Br)[N+](=O)[O-] PHB00056 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.159 O=C1C(=CNC=C1[N+](=O)[O-])Br R584797 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)Cl)O S577219 [1,1,0,0,0,0|0,0,0]=2 213 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [1,1,0,0,0,0|0,0,0]=2 214 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)Br)O ADE000723 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)Cl)O ADE000441 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.159 O=[N+]([O-])C1=C(C(=CN=C1)I)O ADE000440 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])[O-] S399914 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.166 NC1=C(C=CC(=N1)Br)[N+](=O)[O-] KOB0063 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.166 NC1=CC=C(C(=C1)F)[N+](=O)[O-] CDS014115 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.166 NC1=CC=C(C(=C1)N)[N+](=O)[O-] S595098 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.166 NC1=NC=C(C(=C1)Br)[N+](=O)[O-] PHB00263 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1F)Cl CDS003056 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.166 O=[N+]([O-])C1=CC=C(N=C1Br)Cl CDS021043 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.166 O=[N+]([O-])C1=CC=[N+](C=C1Br)[O-] PH006863 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.21 CC1=CC=C(C=C1I)[N+](=O)[O-] S432938 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)I S755303 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)Br SYX00192 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.21 O=[N+]([O-])C1=CC=[N+](C(=C1)Br)[O-] S927309 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.21 O=[N+]([O-])C1=CN=C(C(=C1)F)Cl CDS021288 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.21 O=[N+]([O-])C1=CN=C(C(=C1)I)Br ADE000438 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])N L170186 [1,1,0,0,0,0|0,0,0]=2 244 B11R1.74 CC1=CC(=CC(=N1)C)[N+](=O)[O-] PH009740 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.74 O=[N+]([O-])C1=CC(=CC(=C1)Br)Br S813974 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.155 CC1=CC(=CC=C1)P(=O)(O)O S915750 [1,1,0,0,0,0|0,1,1]=4 247 B11R1.155 CC1=CC=CC(=C1)S(=O)(=O)N CDS012908 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.155 C[N+]1=CC=CC(=C1)S(=O)(=O)[O-] S441112 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.155 NC1=CC(=CC=C1)S(=O)(=O)[O-] S436879 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.266 CSC1=CC=CC(=C1)[N+](=O)[O-] S549835 [1,1,0,0,0,0|0,0,0]=2 251 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [1,1,0,0,0,0|1,0,1]=4 252 B13R1.97 COC1=CC(=C(C=C1)O)NC(=O)C S983187 [0,1,0,0,0,1|2,0,0]=4 253 B13R1.3089 COC1=CC=C(C=C1NC(=O)C)C PH002939 [0,1,0,0,0,1|2,0,0]=4 254 B13R1.141 C(=O)NC1=C(C=C(C=C1)C)[N+](=O)[O-] S532479 [0,2,0,0,0,0|0,0,1]=3 255 B13R1.141 CC1=CC=C(C(=C1)[N+](=O)[O-])CC#N PH000525 [0,2,0,0,0,0|1,0,0]=3 256 B13R1.141 CC1=CC=C(C(=C1)[N+](=O)[O-])SC#N R465208 [0,2,0,0,0,0|0,1,0]=3 257 B13R1.141 CCNC1=CC=C(C=C1[N+](=O)[O-])Cl S410691 [0,2,0,0,0,0|2,0,0]=4 258 B13R1.141 CCNC1=CC=C(C=C1[N+](=O)[O-])F PH011238 [0,2,0,0,0,0|2,0,0]=4 259 B13R1.141 CCOC1=C(C=C(C=C1)Cl)[N+](=O)[O-] PH008497 [0,2,0,0,0,0|1,0,0]=3 260 B13R1.141 N#CCC1=CC=C(C=C1[N+](=O)[O-])Cl PH001859 [0,2,0,0,0,0|2,0,0]=4 261 B13R1.141 N#CSC1=C(C=C(C=C1)N)[N+](=O)[O-] L133566 [0,2,0,0,0,0|1,1,0]=4 262 B13R1.141 O=C=NC1=C(C=C(C=C1)Cl)[N+](=O)[O-] T341592 [0,2,0,0,0,0|1,0,1]=4 263 B13R1.141 O=CNC1=C(C=C(C=C1)Cl)[N+](=O)[O-] S634212 [0,2,0,0,0,0|1,0,1]=4 264 B13R1.165 NC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] R397393 [0,2,0,0,0,0|1,0,0]=3 265 B13R1.2398 CNC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl S986186 [0,2,0,0,0,0|2,0,0]=4 266 B13R1.2398 COC1=C(C=C([N+](=N1)[O-])C)[N+](=O)[O-] R358487 [0,2,0,0,0,0|2,0,0]=4 267 B13R1.2398 COC1=CC(=C(C=C1[N+](=O)[O-])Cl)O PH008836 [0,2,0,0,0,0|1,0,0]=3 268 B13R1.2430 CNC1=C(C=C(C=C1)C=O)[N+](=O)[O-] EME00346 [0,2,0,0,0,0|1,0,1]=4 269 B13R1.2430 CNC1=CC(=C(C=C1)OC)[N+](=O)[O-] S244104 [0,2,0,0,0,0|0,0,0]=2 270 B13R1.2430 COC1=C(C=C(C=C1)C#N)[N+](=O)[O-] L170860 [0,2,0,0,0,0|0,0,1]=3 271 B13R1.2430 COC1=CC=C(C(=C1)C(=O)Cl)OC PH016681 [0,2,0,0,0,0|2,0,0]=4 272 B13R1.2430 COC1=CC=C(C(=C1)[N+](=O)[O-])CN PH012597 [0,2,0,0,0,0|1,0,0]=3 273 B13R1.2430 COC1=CC=C(C(=C1)[N+](=O)[O-])OC S360783 [0,2,0,0,0,0|0,0,0]=2 274 B13R1.651 CCC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)Cl S751960 [0,2,0,0,0,0|1,0,0]=3 275 B13R1.651 COC1=CC(=C(C=C1Br)N)[N+](=O)[O-] S707236 [0,2,0,0,0,0|1,0,0]=3 276 B13R1.651 COC1=CC(=C(C=C1Cl)F)[N+](=O)[O-] CDS013413 [0,2,0,0,0,0|1,0,0]=3 277 B13R1.652 CC1=CC(=C(C=C1C#N)C)[N+](=O)[O-] PH009011 [0,2,0,0,0,0|1,0,0]=3 278 B13R1.652 COC1=C(C=C(C(=C1)C)[N+](=O)[O-])C PH009429 [0,2,0,0,0,0|1,0,0]=3 279 B13R1.652 COC1=CC(=C(C=C1Br)[N+](=O)[O-])C PH004704 [0,2,0,0,0,0|2,0,0]=4 280 B13R1.652 COC1=CC(=C(C=C1F)[N+](=O)[O-])C PH009435 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)C)C)O JRD1482 [0,2,0,0,0,0|2,0,0]=4 282 B13R1.2811 CC1=C(C(=C(C=C1Br)[N+](=O)[O-])C)C S53164 [0,2,0,0,0,0|2,0,0]=4 283 B13R1.2811 CC1=C(C(=C(C=C1[N+](=O)[O-])I)N)I S739502 [0,2,0,0,0,0|2,0,0]=4 284 B13R1.2811 CC1=C(C=C(C(=C1C)N)[N+](=O)[O-])Br PH011367 [0,2,0,0,0,0|2,0,0]=4 285 B13R1.2811 CC1=C(C=C(C(=C1Cl)O)Cl)[N+](=O)[O-] PH002968 [0,2,0,0,0,0|2,0,0]=4 286 B13R1.2811 CC1=CC(=C(C(=C1Br)C)N)[N+](=O)[O-] S921114 [0,2,0,0,0,0|1,0,0]=3 287 B13R1.2812 NC1=C(C(=CC(=C1[N+](=O)[O-])F)F)F R468428 [0,2,0,0,0,0|2,0,0]=4 288 B13R1.2812 O=[N+]([O-])C1=C(C(=C(C=C1Br)F)F)F ANV00328 [0,2,0,0,0,0|2,0,0]=4 289 B13R1.446 CCCC(=O)C1=C(C=CC(=C1)C)O PH004501 [0,2,0,0,0,0|2,0,0]=4 290 B13R1.2431 CCC(=O)C1=C(C=CC(=C1)CC)O JRD1479 [0,2,0,0,0,0|2,0,0]=4 291 B13R1.2431 CCC1=CC=C(C(=C1)C(=O)OC)O JRD0887 [0,2,0,0,0,0|1,0,1]=4 292 B13R1.4789 CCC(=O)C1=CC(=CC(=C1O)C)C JRD1481 [0,2,0,0,0,0|2,0,0]=4 293 B13R1.4789 COC(=O)C1=C(C(=CC(=C1)C)N)O PH015506 [0,2,0,0,0,0|1,0,1]=4 294 B13R1.13 CN(C)C1=CC(=C(C=C1)Br)[N+](=O)[O-] R701033 [0,2,0,0,0,0|1,0,0]=3 295 B13R1.13 NC(=O)C1=CC=C(C(=C1)[N+](=O)[O-])Cl S613967 [0,2,0,0,0,0|1,0,1]=4 296 B13R1.13 NC(=O)C1=CC=C(C(=C1)[N+](=O)[O-])I CDS023447 [0,2,0,0,0,0|1,0,1]=4 297 B13R1.13 O=[N+]([O-])C1=CC(=CC=C1Cl)S(=O)[O-] S813400 [0,2,0,0,0,0|2,0,0]=4 298 B13R1.387 CC1=C(C=C(C=C1)NC=O)[N+](=O)[O-] S576735 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.387 O=CNC1=CC(=C(C=C1)Cl)[N+](=O)[O-] S764299 [0,2,0,0,0,0|1,0,1]=4 300 B13R1.387 O=[N+]([O-])C1=CC(=CC=C1Cl)/C=N/O S879037 [0,2,0,0,0,0|1,0,1]=4 301 B13R1.437 COC1=CC(=C(C(=C1)Br)Br)[N+](=O)[O-] S843806 [0,2,0,0,0,0|1,0,0]=3 302 B13R1.437 O=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-] CDS016987 [0,2,0,0,0,0|0,0,1]=3 303 B13R1.299 CC1=CC(=C(C(=C1)CO)O)[N+](=O)[O-] PH009174 [0,2,0,0,0,0|0,0,0]=2 304 B13R1.2818 CC1=CC(=C(C(=C1C)[N+](=O)[O-])C)C S109533 [0,2,0,0,0,0|1,0,0]=3 305 B13R1.3340 COC1=C(C(=CC=C1Br)Br)[N+](=O)[O-] S839221 [0,2,0,0,0,0|2,0,0]=4 306 B11R1.91 O=[N+]([O-])/C=C/C1=CC=CN=C1 R437166 [0,0,1,1,0,0|1,0,1]=4 307 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [1,0,0,1,0,0|2,0,0]=4 308 B13R2.11634 CC1=CC2=NO[N+](=C2C=C1C)[O-] PH009211 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.41 CC1=C(SC=C1)[N+](=O)[O-] PH003225 [1,0,0,0,1,0|2,0,0]=4 310 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [1,0,0,0,1,0|2,0,0]=4 311 B9R1.35 CC1=CC=C(O1)[N+](=O)[O-] R397482 [1,0,0,0,1,0|1,0,0]=3 312 B9R1.35 CN1C=C(C=N1)[N+](=O)[O-] MNO000037 [1,0,0,0,1,0|2,0,0]=4 313 B9R1.35 O=[N+]([O-])C1=CC=C(S1)I PH004031 [1,0,0,0,1,0|2,0,0]=4 314 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,0,0,0,0,1|2,0,0]=4 315 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [1,0,0,0,0,1|2,0,0]=4 316 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [1,0,0,0,0,1|2,0,0]=4