0 B12R1.6 BrCC1=CC=C(C=C1)[S](=O)(=O)N AK-22171 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.6 C1=C(C=CC(=C1)CN)C(F)(F)F AK-48950 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.6 C1=C(C=CC(=C1)CN)[S](=O)(=O)N AK-22175 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.6 C1=CC(=CC=C1[S](C)(=O)=O)C=O AK-43980 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.6 CNC1=CC=C(C=C1)[S](=O)(=O)C AK-39565 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 AK-50284 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.6 NNC1=CC=C(S(=O)(C)=O)C=C1 AK-75913 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.6 O=S(C1=CC=C(C#C)C=C1)(C)=O AK-38553 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.6 O=S(C1=CC=C(C#C)C=C1)(N)=O AK-28908 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.6 O=S(C1=CC=C(C=C)C=C1)([O-])=O AK116101 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.6 O=S(C1=CC=C(C=C)C=C1)([O-])=O AK318084 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.6 O=S(C1=CC=C(C=O)C=C1)([O-])=O AK-48848 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.6 O=S(C1=CC=C(CBr)C=C1)(C)=O AK-35542 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.6 O=S(C1=CC=C(CN)C=C1)(N)=O AK-32299 [0,0,0,0,0,0|0,0,0]=0 14 B12R1.6 O=S(C1=CC=C(CN)C=C1)(N)=O AK-33093 [0,0,0,0,0,0|0,0,0]=0 15 B12R1.6 O=S(C1=CC=C(NN)C=C1)(N)=O AK-86218 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.3 C1=C(C=CC(=C1)CN)C(O)=O AK-35678 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.3 C1=CC(=CC=C1C(O)=O)CO AK-25734 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.3 C1=CC(=CC=C1[N+](=O)[O-])CO AK-46675 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.3 CC(C)C1=CC=C(CN)C=C1 AK-61820 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O AK-35404 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.3 CC(C1=CC=C(CN)C=C1)=O AK158889 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.3 NNC1=CC=C(C=C1)N(=O)=O AK-72989 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.3 O=C(N)C1=CC=C(CN)C=C1 AK155450 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.3 O=C(N)C1=CC=C(OC)C=C1 AK114264 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 AK114313 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-79152 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-88500 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.19 C1=C([S](C)(=O)=O)C=CC(=C1)Cl AK-50496 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.19 C1=C([S](C)(=O)=O)C=CC(=C1)O AK-73113 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.19 CC1=CC=C(C=C1)P(=O)(O)O AK-80283 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AK-93752 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.19 CC1=CC=C(S(=O)([O-])=O)C=C1 AK-48060 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.19 CC1=CN=C(C=C1)[S](=O)(=O)N AK-41800 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.19 ClC1=NC=C(C=C1)[S](=O)(=O)Cl AK-32252 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.19 NC1=CC=C(S(=O)(C)=O)C=C1 AK-32256 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.19 NS(=O)(=O)C1=CC=C(Br)C=C1 AK-26275 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.19 NS(=O)(=O)C1=CC=C(Cl)N=C1 AK-35078 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.19 O=S(C1=CC=C(Br)C=C1)(C)=O AK-76561 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.19 O=S(C1=CC=C(C)C=C1)(C)=O AK-94753 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK-45062 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK-77681 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK101690 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK150790 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK164877 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK311262 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.19 O=S(C1=CC=C(C)C=C1)([O-])=O AK-54466 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.19 O=S(C1=CC=C(C)C=C1)([O-])=O AK126645 [1,0,0,0,0,0|1,0,0]=2 48 B11R1.19 O=S(C1=CC=C(Cl)C=C1)(N)=O AK151256 [1,0,0,0,0,0|1,0,0]=2 49 B11R1.19 O=S(C1=CC=C(N)C=C1)([O-])=O AK114546 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.19 O=S(C1=CC=C(N)N=C1)(O)=O AK-63658 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.19 O=S(C1=CC=C(O)C=C1)([O-])=O AK117280 [1,0,0,0,0,0|2,0,0]=3 52 B13R1.96 O=S(C1=CC=C(OC)C=C1I)(C)=O AK554552 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.140 O=S(C1=CC=C(CCN)C=C1)(N)=O AK-78912 [0,1,0,0,0,0|0,0,0]=1 54 B13R1.187 O=CC1=CC=C(S(=O)(CC)=O)C=C1 AK409953 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.338 C1=C(C=CC(=C1)C(O)=O)[S](C)(=O)=O AK-46609 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.338 C1=C(C=CC(=C1)[S](N)(=O)=O)C(O)=O AK-47542 [0,1,0,0,0,0|1,0,1]=3 57 B13R1.338 C1=C([S](=O)(=O)C)C=CC(=C1)B(O)O AK-37832 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.338 C1=CC(=CC=C1[S](C)(=O)=O)C(C)=O AK-47477 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.338 C[C@H](N)C1=CC=C(S(=O)(C)=O)C=C1 AK607982 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.338 O=S(C1=CC=C([N+]([O-])=O)C=C1)(F)=O AK-86500 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.338 O=S(C1=CC=C([N+]([O-])=O)C=C1)(N)=O AK-48416 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.338 O=S(O)(C1=CC=C(N(C)C)C=C1)=O AK516753 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.4 CS(=O)(=O)NC1=CC=C(CN)C=C1 AK-82808 [0,0,0,0,0,1|1,0,0]=2 64 B13R1.4 O=CC1=CC=C(CS(=O)(C)=O)C=C1 AK-54120 [0,0,0,0,0,1|2,0,1]=4 65 B10R1.3 C1=C(C=CC(=C1)CN)C#N AK-33511 [2,0,0,0,0,0|1,0,1]=4 66 B10R1.3 N#CC1=CC=C(CN)C=C1 AK-45455 [2,0,0,0,0,0|1,0,1]=4 67 B10R1.3 NCC1=CC=C(C#C)C=C1 AK-80240 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.3 NCC1=CC=C(CN)C=C1 AK-76712 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.3 NCC1=CC=C(CO)C=C1 AK-32003 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.3 NNC1=CC=C(CC)C=C1 AK-88865 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.3 O=CC1=CC=C(CCl)C=C1 AK113959 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.3 OCC1=CC=C(C=O)C=C1 AK-77797 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [2,0,0,0,0,0|0,0,2]=4 78 B10R1.13 N=C(N)C1=CC=C(N)C=C1 AK-34349 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.13 NC1=CC=C([N+]([O-])=O)C=C1 AK136006 [2,0,0,0,0,0|1,0,1]=4 81 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.13 O=C(C1=NC=C(N)C=C1)N AK-40127 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [2,0,0,0,0,0|1,0,0]=3 85 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.13 O=C(N)C1=CN=C(N)C=C1 AK161454 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [2,0,0,0,0,0|1,0,1]=4 88 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [2,0,0,0,0,0|0,0,2]=4 91 B10R1.13 O=S(C1=CC=C(C)C=C1)[O-] AK106973 [2,0,0,0,0,0|0,0,2]=4 92 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N AK-81446 [2,0,0,0,0,0|0,0,1]=3 93 B10R1.28 C1=C([S](O)(=O)=O)C=CC=C1 AK-51336 [2,0,0,0,0,0|1,0,0]=3 94 B10R1.28 ClS(=O)(=O)C1=CC=NC=C1 AK-74325 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.28 N1=CC(=CC=C1)[S](=O)(=O)Cl AK-27033 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.28 N1=CC(=CC=C1)[S](=O)(=O)Cl AK-27053 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.28 O=S(C1=CC=CC=C1)(N)=O AK-77414 [2,0,0,0,0,0|0,0,0]=2 98 B10R1.28 O=S(C1=CC=CN=C1)(O)=O AK-47361 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.28 O=S(C1=NC=CC=C1)(N)=O AK-67939 [2,0,0,0,0,0|1,0,0]=3 100 B12R1.5 C(C)C1=CC=C(C=C1)C(=O)C=O AK-10028 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.5 O=C(OC)C1=CC=C(CN)C=C1 AK-46915 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.48 NCC1=C(F)C=C(C=C1)[N+]([O-])=O AK-76783 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.113 NCCC1=CC=C(C=C1)[N+]([O-])=O AK-77041 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.113 NCCC1=CC=C([N+]([O-])=O)C=C1 AK-50720 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.113 NOCC1=CC=C([N+]([O-])=O)C=C1 AK124241 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.113 O=[N+](C1=CC=C(CNC)C=C1)[O-] AK684577 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.256 C[C@H](N)C1=CC=C([N+]([O-])=O)C=C1 AK-57955 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.256 N[C@H](C)C1=CC=C([N+]([O-])=O)C=C1 AK-35692 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.256 O=C(N)C1=CC=C(C(N)=N)C=C1 AK-51220 [1,1,0,0,0,0|1,0,1]=4 110 B12R1.256 O=C(N)C1=CC=C(C(O)C)C=C1 AK149703 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK154798 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK157590 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.256 O=C(O)C1=CC=C([C@H](N)C)C=C1 AK155202 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.9 CC1=CC=C(S(=O)(OC)=O)C=C1 AK-48103 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.9 O=S(C1=CC=C(C)C=C1)(NC)=O AK117052 [1,1,0,0,0,0|0,0,0]=2 116 B12R1.9 O=S(C1=CC=C(F)C=C1)(NC)=O AK-92363 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.23 BrC1=C(C=C(C=C1)[S](=O)(=O)N)F AK-29962 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.23 C1=C(C(=CC=C1[S](N)(=O)=O)O)N AK-29639 [1,1,0,0,0,0|1,0,0]=3 119 B12R1.23 C1=CC(=CC(=C1N)C)[S](N)(=O)=O AK-16617 [1,1,0,0,0,0|0,0,0]=2 120 B12R1.23 CC1=C(Br)C=CC(=C1)S(Cl)(=O)=O AK-48468 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.23 FC1=C(C=C(C=C1)[S](=O)(=O)C)F AK-35127 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.23 FC1=C(N)C=CC(=C1)[S](=O)(=O)C AK-36497 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.23 NC1=CC=C(S(=O)(C)=O)N=C1C AK-61203 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.23 NC1=CC=C(S(=O)(N)=O)C=C1Cl AK-45683 [1,1,0,0,0,0|0,0,0]=2 125 B12R1.23 NS(=O)(=O)C1=CC(F)=C(F)C=C1 AK-87077 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.23 O=S(C1=CC=C(Br)C(Cl)=C1)(Cl)=O AK-86794 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.23 O=S(C1=CC=C(C)C(Br)=C1)(C)=O AK-91336 [1,1,0,0,0,0|1,0,0]=3 128 B12R1.23 O=S(C1=CC=C(C)C(Cl)=C1)(C)=O AK-63695 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.23 O=S(C1=CC=C(F)C(Br)=C1)(Cl)=O AK-90875 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.23 O=S(C1=CC=C(N)C(N)=C1)(O)=O AK-50087 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.126 O=S(C1=CC=C(Cl)C=C1F)(Cl)=O AK-59255 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.126 O=S(C1=CC=C(F)C=C1F)(Cl)=O AK-53423 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.126 O=S(C1=CC=C(F)C=C1F)(N)=O AK-51260 [1,1,0,0,0,0|1,0,0]=3 134 B14R1.215 O=S(CC1=CC=C(NN)C=C1)(NC)=O AK163847 [0,1,0,0,0,1|1,0,0]=3 135 B14R1.806 O=C(O)CC1=CC=C(S(=O)(C)=O)C=C1 AK162914 [0,2,0,0,0,0|2,0,0]=4 136 B14R1.806 O=C(O)CC1=CC=C(S(=O)(N)=O)C=C1 AK410570 [0,2,0,0,0,0|1,0,0]=3 137 B14R1.806 O=S(C1=CC=C(NC(N)=S)C=C1)(N)=O AK121871 [0,2,0,0,0,0|0,0,1]=3 138 B14R1.806 O=S(C1=CC=C(OC(C)C)C=C1)(Cl)=O AK-54577 [0,2,0,0,0,0|2,0,0]=4 139 B14R1.3332 C1=CC(=CC=C1C(C)(C)C)[S](N)(=O)=O AK-44395 [0,2,0,0,0,0|1,0,0]=3 140 B14R1.3332 O=S(C1=CC=C(C(F)(F)F)C=C1)(N)=O AK-40634 [0,2,0,0,0,0|1,0,0]=3 141 B14R2.3125 NS(=O)(=O)C1=CC2=C(C=CN2)C=C1 AK103912 [0,1,0,1,0,0|0,0,1]=3 142 B14R2.3125 O=S(C1=CC=C2OCCC2=C1)(Cl)=O AK-32892 [0,1,0,1,0,0|2,0,0]=4 143 B14R2.3123 O=S(C1=CC=C(C2CC2)C=C1)(Cl)=O AK119966 [0,1,0,1,0,0|2,0,0]=4 144 B12R1.4 CC(NC1=CC=C(CN)C=C1)=O AK144131 [1,0,0,0,0,1|2,0,0]=4 145 B12R1.4 O=C(O)CC1=CC=C(CN)C=C1 AK-93749 [1,0,0,0,0,1|1,0,1]=4 146 B12R1.106 O=S(CC1=CC=C(C)C=C1)(Cl)=O AK-86322 [1,0,0,0,0,1|1,0,0]=3 147 B12R1.436 NS(=O)(=O)C1=CC(=CC=C1)C#N AK-27840 [0,0,0,0,1,1|0,0,2]=4 148 B12R1.436 O=S(C1=CC(CBr)=CC=C1)(C)=O AK-78470 [0,0,0,0,1,1|2,0,0]=4 149 B12R1.436 O=S(C1=CC=CC(CBr)=C1)(N)=O AK-22179 [0,0,0,0,1,1|1,0,0]=3 150 B12R1.436 O=S(C1=CC=CC(NN)=C1)(N)=O AK-57697 [0,0,0,0,1,1|1,0,0]=3