0 B12R1.128 CC1=C(C=C(C=C1)Br)S(=O)(=O)N CDS022257 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)C S915947 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.128 CC1=CC=C(C(=C1)P(=O)(O)O)Cl S311626 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.128 CC1=CC=C(C(=C1)S(=O)(=O)N)C S505501 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.128 CC1=CC=C(C(=C1)S(=O)(=O)O)C S563609 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.128 CC1=CC=C(C=C1S(=O)(=O)C)Br CDS022055 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.128 NC1=C(C=C(C=C1)Cl)S(=O)(=O)N PH000490 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.128 NC1=CC=C(C(=C1)S(=O)(=O)O)Cl S419346 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.128 NC1=CC=C(C(=C1)S(=O)(=O)O)O S357820 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.128 NS(=O)(=O)C1=C(C=CC(=C1)Cl)Cl PH011617 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.128 O=S(=O)(O)C1=C(C=CC(=C1)F)F PH014475 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.128 O=S(=O)(O)C1=CC(=CC=C1F)F PH018138 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.128 O=S(=O)([O-])C1=CC(=CC=C1O)O S430366 [0,0,0,0,0,0|0,0,1]=1 13 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.87 CC1=CC=CC=C1S(=O)(=O)[O-] T330620 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.87 CC1=CN=CC=C1S(=O)(=O)O PH015097 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.87 C[N+]1=C(C=CC=C1)S(=O)(=O)[O-] L202592 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1Cl CDS014057 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [1,0,0,0,0,0|0,0,0]=1 21 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1O T330655 [1,0,0,0,0,0|0,0,1]=2 22 B11R1.155 CC1=CC(=CC=C1)P(=O)(O)O S915750 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.155 CC1=CC(=NC=C1)S(=O)(=O)O PH015082 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.155 CC1=CC=CC(=C1)S(=O)(=O)N CDS012908 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.155 CC1=NC=CC(=C1)S(=O)(=O)O PH015380 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PH011722 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.155 C[N+]1=CC=CC(=C1)S(=O)(=O)[O-] S441112 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.155 NC1=CC(=CC=C1)S(=O)(=O)[O-] S436879 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.155 NC1=CC=CC(=C1)S(=O)(=O)F CDS003405 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.155 NS(=O)(=O)C1=CC(=CC=C1)Cl R436062 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.155 NS(=O)(=O)C1=CC(=CN=C1)Br CDS022662 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.155 O=S(=O)(Cl)C1=CN=CC(=C1)Br CDS016144 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.155 O=S(=O)([S-])C1=CC(=CC=C1)Cl S64018 [1,0,0,0,0,0|1,1,0]=3 34 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.167 OB(O)C1=CC(=CC=C1F)O CDS023639 [1,0,0,0,0,0|2,0,1]=4 45 B13R1.257 CNS(=O)(=O)C1=C(C=CC(=C1)C)C PH000431 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.257 NNS(=O)(=O)C1=CC(=CC=C1Cl)Cl S879991 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.877 CC1=C(C=C(C(=C1)N)S(=O)(=O)O)Cl S429473 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.877 CC1=CC(=C(C=C1Cl)N)S(=O)(=O)O S432032 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.877 CC1=CC(=C(C=C1N)S(=O)(=O)O)C S357901 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.877 CC1=CC(=C(C=C1S(=O)(=O)O)C)C S370487 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.877 NC1=C(C=C(C(=C1)Cl)S(=O)(=O)O)Cl S387444 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.877 O=S(=O)(Cl)C1=C(C=C(C(=C1)Cl)F)F CDS011712 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.877 O=S(=O)(Cl)C1=CC(=C(C=C1F)F)F CDS000905 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.877 O=S(=O)([O-])C1=CC(=C(C=C1Cl)Cl)Cl S527580 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.877 O=S(=O)([O-])C1=CC(=C(C=C1Cl)Cl)Cl S764892 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.886 NS(=O)(=O)C1=C(C(=CC=C1F)F)F MNO000156 [0,1,0,0,0,0|3,0,0]=4 57 B13R1.886 O=S(=O)(Cl)C1=C(C(=CC=C1F)F)F MNO000029 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.2815 CC1=C(C=C(C=C1S(=O)(=O)Cl)F)Cl PH017708 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.2815 CC1=CC(=CC(=C1C)S(=O)(=O)O)N S554391 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.2815 NC1=C(C(=CC(=C1)Cl)S(=O)(=O)O)O R353140 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.3090 COC1=CC=C(C=C1S(=O)(=O)N)Br CDS005716 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.894 CS(=O)(=O)NC1=C(C=CC(=C1)F)F S916862 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 CDS013908 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [2,0,0,0,0,0|0,0,1]=3 65 B10R1.28 O=S(=O)([O-])C1=CN=CC=C1 S370525 [2,0,0,0,0,0|1,0,1]=4 66 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [2,0,0,0,0,0|1,0,1]=4 67 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [2,0,0,0,0,0|1,0,1]=4 71 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [2,0,0,0,0,0|1,0,1]=4 72 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [2,0,0,0,0,0|2,0,0]=4 75 B12R1.76 COC1=C(C=CC=C1)S(=O)(=O)C PH011701 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.76 COC1=CC=CC=C1P(=O)(O)O S915688 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.76 COC1=CC=CC=C1S(=O)(=O)Cl CDS007595 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.76 COC1=CC=CC=C1S(=O)(=O)O PH017869 [1,1,0,0,0,0|0,0,0]=2 79 B12R1.76 CS(=O)(=O)C1=C(C=CC=C1)CCl OTV000975 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.76 CS(=O)(=O)C1=CC=CC=C1C=O CDS023397 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.76 O=CC1=C(C=CC=C1)S(=O)(=O)Cl PH006828 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.126 CC1=CC(=C(C=C1)S(=O)(=O)N)C PH000222 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.126 NC1=CC(=C(C=C1)S(=O)(=O)O)N R397156 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.126 O=S(=O)(O)C1=C(C=C(C=C1)Cl)Cl PH014379 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.126 O=S(=O)(O)C1=C(C=C(C=C1)F)F PH015778 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.126 O=S(=O)(O)C1=CC=C(C=C1F)F PH018105 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.195 CNS(=O)(=O)C1=C(C=CC=C1)C PH000617 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.228 CC1=CC=CC(=C1C)S(=O)(=O)O PH014377 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.228 NS(=O)(=O)C1=C(C(=CC=C1)Cl)F L446637 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.228 O=S(=O)(O)C1=C(C(=CC=C1)Cl)Cl PH014378 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.1010 CC1=CC=CC(=C1S(=O)(=O)O)C PH016042 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.1010 NC1=CC=CC(=C1S(=O)(=O)O)O S554294 [1,1,0,0,0,0|0,0,0]=2 93 B12R1.1010 O=S(=O)(O)C1=C(C=CC=C1Cl)Cl PH015705 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.10 CNS(=O)(=O)C1=CC=CC(=C1)Cl T322571 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.23 CC1=CC(=CC=C1Cl)S(=O)(=O)Cl CDS014633 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.23 CC1=CC(=CC=C1N)S(=O)(=O)O T332895 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.23 CC1=CC=C(C=C1C)S(=O)(=O)Cl CDS000977 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.23 CC1=CC=C(C=C1Cl)S(=O)(=O)N S373265 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.23 CC1=CC=C(C=C1N)S(=O)(=O)F S671924 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.23 CC1=CC=C(C=C1N)S(=O)(=O)N PH010326 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.23 CC1=CC=C(C=C1N)S(=O)(=O)O S518506 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.23 CS(=O)(=O)C1=CC(=C(C=C1)F)F MNO000024 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.23 CS(=O)(=O)C1=CC=C(C(=C1)Cl)Cl S628573 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.23 CS(=O)(=O)C1=CC=C(C(=C1)Cl)N S448281 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.23 NC1=CC(=CC=C1Cl)S(=O)(=O)N CBR00199 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.23 NC1=CC(=CC=C1O)S(=O)(=O)N S448028 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.23 NC1=CC=C(C=C1Cl)S(=O)(=O)N CDS007881 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.23 NC1=CC=C(C=C1Cl)S(=O)(=O)O S438774 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.23 NS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl PH010361 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.23 O=S(=O)(Cl)C1=CC(=C(C=C1)Br)Br CDS025263 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.23 O=S(=O)(Cl)C1=CC(=C(C=C1)Br)Cl CDS016226 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)F)F PH014373 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)F)F PH018106 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)O)O PH006902 [1,1,0,0,0,0|0,0,0]=2 115 B12R1.102 O=S(=O)(O)C1=CC(=CC(=C1)Cl)Cl PH014257 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.436 CS(=O)(=O)C1=CC=CC(=C1)CBr CDS023694 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C IDF00003 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)I PH016098 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.354 COC(=O)C1=CC(=CC=C1O)I S352977 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)Cl ANV00090 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.453 CSC1=CC=C(C(=C1)C(=O)O)O S449385 [1,1,0,0,0,0|1,1,0]=4 128 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)Br CDS023505 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.511 CC1=CC(=C(C(=C1)C(=O)O)O)C R179574 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.511 CC1=CC(=C(C(=C1)Cl)O)C(=O)O PH008020 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.511 O=C(O)C1=CC(=CC(=C1O)F)F CDS022226 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.894 O=C(O)C1=C(C=CC(=C1O)Br)O PH014538 [1,1,0,0,0,0|2,0,0]=4 133 B14R1.12 O=C(O)C1=CC(=C(C=C1)Br)S(=O)(=O)Cl PH009885 [0,2,0,0,0,0|2,0,0]=4 134 B14R1.12 O=C(O)C1=CC=C(C(=C1)S(=O)(=O)Cl)F CDS011580 [0,2,0,0,0,0|2,0,0]=4 135 B14R1.12 O=[N+]([O-])C1=CC=C(C(=C1)S(=O)(=O)O)Cl R396680 [0,2,0,0,0,0|1,0,1]=4 136 B14R1.3720 COC1=CC(=C(C=C1)OC)S(=O)(=O)O PH014474 [0,2,0,0,0,0|0,0,0]=2 137 B14R1.2285 CCC1=C(C=C(C(=C1)N)S(=O)(=O)O)Cl S357537 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164135 [0,0,1,1,0,0|2,0,0]=4 139 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164143 [0,0,1,1,0,0|2,0,0]=4 140 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S852414 [1,0,0,1,0,0|2,0,0]=4 141 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S984302 [1,0,0,1,0,0|2,0,0]=4 142 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [1,0,0,1,0,0|1,0,0]=3 143 B12R1.119 CC1=CC(=CC=C1)OS(=O)(=O)N PH008063 [1,0,0,0,0,1|2,0,0]=4 144 B12R1.119 CS(=O)(=O)NC1=CC(=CC=C1)Cl T100072 [1,0,0,0,0,1|2,0,0]=4 145 B12R1.119 NS(=O)(=O)OC1=CC=CC(=C1)Cl PH008056 [1,0,0,0,0,1|2,0,0]=4