0 B12R1.256 C1=C(C(C)=O)C=CC(=C1)C(O)=O AK-45767 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.256 C1=C(C=CC(=C1)B(O)O)C(=O)N AK-47634 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.256 C1=CC(=CC=C1B(O)O)C(=O)O AK-45039 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.256 C1=CC(=CC=C1B(O)O)C(C)C AK-33537 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.256 C1=CC(=CC=C1C(C)C)C(O)=O AK-47310 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.256 CC(C1=CC=C(B(O)O)C=C1)O AK134194 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.256 CC(C1=CC=C(N(C)C)C=C1)=O AK136066 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.256 CC(C1=CC=C([N+]([O-])=O)C=C1)=O AK-46491 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.256 CN(C)C1=CC=C(C=C1)B(O)O AK-25708 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.256 CN(C)C1=CC=C([C@@H](N)C)C=C1 AK-42265 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.256 CN(C)C1=CC=C([C@H](N)C)C=C1 AK133445 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.256 C[C@H](N)C1=CC=C([N+]([O-])=O)C=C1 AK-57955 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.256 C[SiH](C1=CC=C([SiH](C)C)C=C1)C AK126572 [0,0,0,0,0,0|1,2,0]=3 13 B12R1.256 N[C@H](C)C1=CC=C([N+]([O-])=O)C=C1 AK-35692 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.256 O=C(N)C1=CC=C(C(N)=N)C=C1 AK-51220 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.256 O=C(N)C1=CC=C(C(O)C)C=C1 AK149703 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.256 O=C(N)C1=CC=C(N(C)C)C=C1 AK-64565 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.256 O=C(O)C1=CC=C(C(N)=N)C=C1 AK139166 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.256 O=C(O)C1=CC=C(C(O)C)C=C1 AK140628 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.256 O=C(O)C1=CC=C(N(C)C)C=C1 AK-41190 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK154798 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK157590 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.256 O=C(O)C1=CC=C([C@H](N)C)C=C1 AK155202 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.256 O=C(O)C1=CC=C([N+]([O-])=O)C=C1 AK-77655 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.256 O=[N+](C1=CC=C(C(Br)C)C=C1)[O-] AK127643 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.256 OB(C1=CC=C(C(C)=O)C=C1)O AK-45484 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.3 C(#C)C1=CC=C(C(=O)O)C=C1 AK-44236 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.3 C1=C(C=CC(=C1)C=O)C(O)=O AK-45367 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.3 C1=C(C=CC(=C1)CN)C(O)=O AK-35678 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.3 C1=C(N(C)C)C=CC(=C1)C=O AK-72833 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.3 C1=CC(=CC=C1C(O)=O)CO AK-25734 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.3 C1=CC(=CC=C1[N+](=O)[O-])CO AK-46675 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.3 CC(C)C1=CC=C(CN)C=C1 AK-61820 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O AK-35404 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.3 CC(C1=CC=C(CN)C=C1)=O AK158889 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.3 CC(C1=CC=C(NC)C=C1)=O AK145581 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.3 CC(C1=CC=C(OC)N=C1)=O AK-76404 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.3 CC(C1=CC=C(SC)C=C1)=O AK164075 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.3 CCC1=CN=C(C=C1)C(O)=O AK-29521 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.3 CN(C)C1=CC=C(OC)C=C1 AK136005 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)N AK-34162 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O AK103062 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O AK103063 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.3 COC1=CN=C(C=C1)C(=O)O AK-29097 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.3 N#CC1=CC=C(C(C)=O)C=C1 AK-44531 [1,0,0,0,0,0|1,0,1]=3 45 B11R1.3 N#CC1=CC=C([C@@H](N)C)C=C1 AK133451 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.3 N#CC1=CC=C([C@H](N)C)C=C1 AK133444 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.3 N=C(N)C1=CC=C(OC)C=C1 AK-98683 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.3 O=C(C1=CN=C(OC)C=C1)O AK-30103 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.3 O=C(N)C1=CC=C(CN)C=C1 AK155450 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.3 O=C(N)C1=CC=C(OC)C=C1 AK114264 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.3 O=C(O)C1=CC=C(C=C)C=C1 AK-45760 [1,0,0,0,0,0|1,0,2]=4 52 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 AK114313 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-79152 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-88500 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.3 O=C(O)C1=CC=C(OC)C=C1 AK-41188 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 AK123526 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 AK127091 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.3 O=CC1=CC=C([N+]([O-])=O)C=C1 AK-49906 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.3 OB(C1=CC=C(C=O)C=C1)O AK-45038 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.3 [C@@H](C)(N)C1=CC=C(OC)C=C1 AK-41700 [1,0,0,0,0,0|2,0,0]=3 61 B13R1.120 CC(C1=CC=C([N+]([O-])=O)C(F)=C1)=O AK104810 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.120 CC(C1=CC=C([N+]([O-])=O)C=C1C)=O AK136391 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.120 CC(C1=CC=C([N+]([O-])=O)C=C1Cl)=O AK-86391 [0,1,0,0,0,0|3,0,0]=4 64 B13R1.120 NC1=CC([N+]([O-])=O)=CC=C1C(C)C AK100799 [0,1,0,0,0,0|2,0,0]=3 65 B13R1.120 O=C(O)C1=CC=C([C@@H](N)C)C=C1F AK608005 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.120 O=[N+](C1=CC=C(C(C)C)C(Br)=C1)[O-] AK-43158 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.338 C1=C(C=CC(=C1)C(C)=O)C(F)(F)F AK-47359 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.338 C1=C(C=CC(=C1)C(O)=O)C(F)(F)F AK-73059 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.338 C1=C(C=CC(=C1)C(O)=O)[S](C)(=O)=O AK-46609 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.338 C1=CC(=CC=C1[S](C)(=O)=O)C(C)=O AK-47477 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.338 CC(C)(C)C1=CC=C(C=N1)C(O)=O AK-64757 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.338 CC(C1=CC=C(B(O)O)C=C1)(C)C AK-33018 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.338 CC(C1=CC=C(B(O)O)C=C1)(O)C AK101674 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.338 CC(C1=CC=C(C(F)(F)F)N=C1)=O AK-51049 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.338 C[C@H](N)C1=CC=C(S(=O)(C)=O)C=C1 AK607982 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.338 NC(=O)C1=CC=C(C=C1)C(F)(F)F AK-41967 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.338 O=C(C1=NC=C(C(C)(C)C)N=C1)O AK161440 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.338 O=C([O-])C1=CC=C(C(F)(F)F)C=C1 AK135783 [0,1,0,0,0,0|3,0,0]=4 79 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 80 B13R1.338 O=[N+](C1=CC=C(C(C)(C)C)C=C1)[O-] AK135806 [0,1,0,0,0,0|2,0,0]=3 81 B13R1.537 C1=C(C(=O)C)C=CC(=C1)C(OC)=O AK-47491 [0,1,0,0,0,0|1,0,1]=3 82 B13R1.537 C1=CC(=CC=C1C(O)=O)C(OC)=O AK-46603 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@H](C)N AK-79719 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.537 O=C(C1=CC=C(B(O)O)C=C1)OC AK-45488 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.537 O=C(C1=CC=C(N(C)C)C=C1)C=O AK-10023 [0,1,0,0,0,0|1,0,1]=3 86 B13R1.537 O=C(O)C1=CC=C(C(CBr)=O)C=C1 AK-77555 [0,1,0,0,0,0|2,0,1]=4 87 B13R1.537 O=C(OC)C1=CC=C(C(Br)C)C=C1 AK159832 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.537 O=C(OC)C1=CC=C(C(Cl)=O)C=C1 AK-54512 [0,1,0,0,0,0|2,0,1]=4 89 B13R1.537 O=C(OC)C1=CC=C(C(N)=N)C=C1 AK184288 [0,1,0,0,0,0|2,0,1]=4 90 B13R1.537 O=C(OC)C1=CC=C(C(N)C)C=C1 AK157267 [0,1,0,0,0,0|1,0,0]=2 91 B13R1.537 O=C(OC)C1=CC=C([C@@H](N)C)C=C1 AK126757 [0,1,0,0,0,0|1,0,0]=2 92 B13R1.537 O=C(OC)C1=NC=C(C(Br)Br)C=C1 AK166960 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.537 O=[N+](C1=CC=C(C(CO)=O)C=C1)[O-] AK124197 [0,1,0,0,0,0|3,0,0]=4 94 B13R2.428 CC(C1=CC=C(C2CC2)C=C1)=O AK129380 [0,0,0,1,0,0|0,0,0]=1 95 B13R2.428 O=C(O)C1=CN=C(C2CC2)C=C1 AK-64531 [0,0,0,1,0,0|2,0,0]=3 96 B13R2.428 O=C(O)C1=NC=C(C2CC2)C=C1 AK676644 [0,0,0,1,0,0|2,0,0]=3 97 B13R2.428 OC(=O)C1=CN=C(N=C1)C2CC2 AK-65901 [0,0,0,1,0,0|3,0,0]=4 98 B11R1.175 CC(C)C1=CC(=NN1)C(O)=O AK-36894 [0,0,0,0,1,0|3,0,0]=4 99 B11R1.175 CC(C)C1=NC(=CS1)C(O)=O AK-99998 [0,0,0,0,1,0|3,0,0]=4 100 B11R1.175 O=C(C1=CC=C(C(C)C)N1)O AK465872 [0,0,0,0,1,0|2,0,0]=3 101 B13R1.585 C1=C(OC(C)C)C=CC(=C1)B(O)O AK-33438 [0,0,0,0,0,1|2,0,1]=4 102 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(O)=O AK111059 [0,0,0,0,0,1|2,0,1]=4 103 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(C)=O AK-54552 [0,0,0,0,0,1|1,0,1]=3 104 B13R1.585 CC(C1=CC=C(CC(C)C)C=C1)=O AK208820 [0,0,0,0,0,1|0,0,0]=1 105 B13R1.585 CC(C1=CC=C(OC(F)F)C=C1)=O AK-26353 [0,0,0,0,0,1|2,0,0]=3 106 B13R1.585 O=C(O)C1=CC=C(CN(C)C)C=C1 AK163939 [0,0,0,0,0,1|2,0,0]=3 107 B13R1.585 O=C(O)C1=CC=C(NC(C)=O)C=C1 AK167261 [0,0,0,0,0,1|2,0,1]=4 108 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 AK-35299 [0,0,0,0,0,1|3,0,0]=4 109 B13R1.585 O=C(O)C1=CN=C(OC(C)C)C=C1 AK-61700 [0,0,0,0,0,1|2,0,0]=3 110 B13R1.585 O=[N+](C1=CC=C(CN(C)C)C=C1)[O-] AK-78055 [0,0,0,0,0,1|3,0,0]=4 111 B13R1.585 OB(C1=CC=C(NC(C)=O)C=C1)O AK-45196 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.3 C#CC1=CC=C(CC)C=C1 AK-43371 [2,0,0,0,0,0|0,0,2]=4 113 B10R1.3 CNC1=CC=C(OC)C=C1 AK-89674 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.3 COC1=CC=C(C=C)C=C1 AK-46470 [2,0,0,0,0,0|1,0,1]=4 115 B10R1.3 COC1=CC=C(CO)C=C1 AK-46460 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.3 NNC1=CC=C(CC)C=C1 AK-88865 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.3 O=CC1=CC=C(C#C)C=C1 AK-51699 [2,0,0,0,0,0|0,0,2]=4 118 B10R1.3 O=CC1=CC=C(C#N)C=C1 AK-41243 [2,0,0,0,0,0|1,0,1]=4 119 B10R1.3 O=CC1=CC=C(C=O)C=C1 AK-40107 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.3 O=CC1=CC=C(CCl)C=C1 AK113959 [2,0,0,0,0,0|1,0,0]=3 121 B10R1.3 O=CC1=CN=C(OC)C=C1 AK-36019 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.3 O=CC1=NC=C(CC)C=C1 AK118117 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.3 O=CC1=NC=C(OC)C=C1 AK-34181 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.3 OCC1=CC=C(C=O)C=C1 AK-77797 [2,0,0,0,0,0|1,0,0]=3 125 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.13 C1=C(C(C)C)C=CC(=C1)Br AK-47451 [2,0,0,0,0,0|1,0,0]=3 127 B10R1.13 C1=C(N(C)C)C=CC(=C1)Br AK-47628 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [2,0,0,0,0,0|1,0,0]=3 129 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [2,0,0,0,0,0|1,0,0]=3 130 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [2,0,0,0,0,0|1,0,0]=3 138 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [2,0,0,0,0,0|0,0,0]=2 139 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [2,0,0,0,0,0|1,0,0]=3 141 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [2,0,0,0,0,0|1,0,0]=3 142 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.13 CC(C1=CN=C(N)C=C1)C AK-81363 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.13 CC(N)C1=CC=C(C)N=C1 AK684509 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.13 CC(N)C1=CC=C(I)C=C1 AK-77292 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.13 CC(N)C1=NC=C(C)C=C1 AK158768 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.13 CC(O)C1=CN=C(C)C=C1 AK-32149 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.13 CN(C)C1=CC=C(C=C1)I AK101968 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 AK136579 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [2,0,0,0,0,0|1,0,1]=4 157 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 AK-43006 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AK-34471 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 AK548805 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.13 NC1=CC=C(C(C)C)N=C1 AK-30855 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.13 N[C@@H](C1=CC=C(Br)C=C1)C AK-35249 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [2,0,0,0,0,0|1,0,0]=3 170 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [2,0,0,0,0,0|1,0,0]=3 175 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.13 O=S(C1=CC=C(C)C=C1)[O-] AK106973 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N AK-81446 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [2,0,0,0,0,0|1,0,1]=4 187 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [2,0,0,0,0,0|1,0,1]=4 188 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [2,0,0,0,0,0|1,0,1]=4 189 B12R1.5 C(C)C1=CC=C(C=C1)C(=O)C=O AK-10028 [1,1,0,0,0,0|0,0,1]=3 190 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O AK-30551 [1,1,0,0,0,0|1,0,1]=4 191 B12R1.5 C1=CC(=CC=C1C(OC)=O)C#N AK-46102 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.5 C1=CC(=CC=C1OC)C(OC)=O AK-46595 [1,1,0,0,0,0|1,0,0]=3 193 B12R1.5 CCC(C1=CC=C(CC)C=C1)=O AK-94191 [1,1,0,0,0,0|0,0,0]=2 194 B12R1.5 CCC1=CC=C(C=C1)C(=O)CBr AK110622 [1,1,0,0,0,0|0,0,0]=2 195 B12R1.5 CC[C@@H](C1=CC=C(OC)C=C1)N AK134097 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 AK-46926 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 AK-49350 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.5 COC(C1=CN=C(C=C1)CO)=O AK-23866 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.5 COC1=CC=C(C(CBr)=O)C=C1 AK114282 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.5 COC1=CC=C(C(N)CO)C=C1 AK668329 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 AK548216 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.5 O=C(NC)C1=CC=C(OC)C=C1 AK120611 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 AK-88481 [1,1,0,0,0,0|0,0,2]=4 204 B12R1.5 O=C(OC)C1=CC=C(CN)C=C1 AK-46915 [1,1,0,0,0,0|1,0,0]=3 205 B12R1.5 O=C(OC)C1=CC=C(NN)C=C1 AK165897 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 AK-29959 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.5 O=C(OC)C1=NC=C(CBr)C=C1 AK153186 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.5 OCC(N)C1=CC=C(OC)C=C1 AK200151 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.6 C1=CC(=CC=C1[S](C)(=O)=O)C=O AK-43980 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.6 CNC1=CC=C(C=C1)[S](=O)(=O)C AK-39565 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 AK-81685 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 AK-50284 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.6 N#CC1=CC=C(C(C)(C)C)C=C1 AK-88347 [1,1,0,0,0,0|1,0,1]=4 214 B12R1.6 NNC1=CC=C(C(C)(C)C)C=C1 AK-88463 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.6 O=CC1=CC=C(C(F)(F)F)C=C1 AK-25995 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.6 O=CC1=CN=C(C(C)(O)C)C=C1 AK-84773 [1,1,0,0,0,0|1,0,0]=3 217 B12R1.6 O=S(C1=CC=C(CBr)C=C1)(C)=O AK-35542 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.48 C1=C(C(=CC=C1C(C)=O)OC)O AK-50384 [1,1,0,0,0,0|1,0,0]=3 219 B12R1.48 CC(C1=CC=C(OC)C(Br)=C1)=O AK-24248 [1,1,0,0,0,0|1,0,0]=3 220 B12R1.48 CC(C1=CC=C(OC)C(C)=C1)=O AK-68223 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.48 CN(C)C1=CC(O)=C(C=O)C=C1 AK-78991 [1,1,0,0,0,0|1,0,0]=3 222 B12R1.48 COC1=C(Cl)C=C(C=C1)C(O)=O AK-79135 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.48 C[C@H](N)C1=CC=C(OC)C(F)=C1 AK130220 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.48 NC1=CC([N+]([O-])=O)=CC=C1CC AK111433 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.48 O=C(N)C1=CC=C(OC)C(N)=C1 AK-63939 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.48 O=C(O)C1=CC=C(CC)C(Br)=C1 AK-93351 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.48 O=C(O)C1=CC=C(CC)C(N)=C1 AK-35408 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.48 O=C(O)C1=CC=C(NC)C(N)=C1 AK-36039 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.48 O=C(O)C1=CC=C(OC)C(C)=C1 AK-32602 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.48 O=C(O)C1=CC=C(OC)C(O)=C1 AK-72971 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.113 CC(C1=CC=C(OCC)N=C1)=O AK160899 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.113 NCCC1=CC=C(C=C1)[N+]([O-])=O AK-77041 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.113 NCCC1=CC=C([N+]([O-])=O)C=C1 AK-50720 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 AK-77033 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.113 O=C(O)C1=CC=C(CCC)C=C1 AK116594 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.113 O=C(O)C1=CC=C(OCC)C=C1 AK112939 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.113 O=C(O)C1=NC=C(OCC)C=C1 AK-66857 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.113 O=[N+](C1=CC=C(C=C1)CCO)[O-] AK-42427 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.113 O=[N+](C1=CC=C(CCBr)C=C1)[O-] AK-42283 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.113 O=[N+](C1=CC=C(CNC)C=C1)[O-] AK684577 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.113 OC(=O)C1=CC=C(CC#N)C=C1 AK-43276 [1,1,0,0,0,0|1,0,1]=4 242 B12R1.452 C1=CC(=CC(=C1C(C)=O)F)OC AK-36270 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC AK-25965 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.452 CC(C1=CC=C(OC)C=C1O)=O AK-79421 [1,1,0,0,0,0|1,0,0]=3 245 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl AK-34147 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.452 COC1=CC(O)=C(C=C1)C(O)=O AK-34197 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.452 COC1=CC(O)=C(C=C1)C([O-])=O AK103858 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.452 C[C@H](N)C1=CC=C(OC)C=C1F AK133432 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.452 O=C(O)C1=CC=C(OC)C=C1Br AK-86973 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.452 O=C(O)C1=CC=C(OC)C=C1C AK-51514 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.452 O=CC1=CC=C(N(C)C)C(C)=C1 AK-57047 [1,1,0,0,0,0|1,0,0]=3 252 B14R1.124 CC(C)OC1=C(Cl)C=C(C=C1)C(O)=O AK-79793 [0,1,0,0,0,1|1,0,0]=3 253 B14R1.124 O=C(O)C1=CC=C(OC(C)C)C(Br)=C1 AK-92983 [0,1,0,0,0,1|1,0,0]=3 254 B14R1.414 C1=C(C(=O)C)C=CC(=C1)OC(F)(F)F AK-49099 [0,1,0,0,0,1|2,0,0]=4 255 B14R1.414 CC(C)(C)OC1=CC=C(C=C1)C(O)=O AK-57760 [0,1,0,0,0,1|1,0,0]=3 256 B14R1.414 CS(=O)(NC1=CC=C(C(C)=O)C=C1)=O AK140390 [0,1,0,0,0,1|2,0,0]=4 257 B14R1.806 CC(C)(C)C1=CC=C(CC(O)=O)C=C1 AK-25776 [0,1,0,0,0,1|1,0,0]=3 258 B14R1.806 CC(CC1=CC=C(C(F)(F)F)C=C1)=O AK-78339 [0,1,0,0,0,1|2,0,0]=4 259 B14R1.806 O=S(C1=CC=C(OC(C)C)C=C1)(Cl)=O AK-54577 [0,1,0,0,0,1|2,0,0]=4 260 B14R1.5801 CC(NC1=CC=C(C(C)=O)C(O)=C1)=O AK323128 [0,1,0,0,0,1|1,0,1]=4 261 B14R1.6402 O=C(N(C)C)C1=CC=C(C(C)=O)C=C1 AK149701 [0,1,0,0,0,1|1,0,0]=3 262 B14R1.747 O=C(OC)C1=CC=C(C(C)C)C(Br)=C1 AK-93300 [0,2,0,0,0,0|0,0,0]=2 263 B14R1.4227 CC(C)(C)C1=CC(Br)=C(C=C1)C(O)=O AK-87304 [0,2,0,0,0,0|1,0,0]=3 264 B14R1.4227 CC(C)(C)C1=CC(O)=C(C=C1)C(O)=O AK-78370 [0,2,0,0,0,0|1,0,0]=3 265 B14R1.4227 CC(C1=CC=C(C(F)(F)F)C=C1Cl)=O AK124428 [0,2,0,0,0,0|2,0,0]=4 266 B14R1.4227 O=C(O)C1=CC=C(C(C)(C)C)C=C1N AK-89452 [0,2,0,0,0,0|1,0,0]=3 267 B14R1.6039 O=C(O)C1=CC=C(C(C)(C)C)C(Br)=C1 AK-89053 [0,2,0,0,0,0|1,0,0]=3 268 B14R1.6039 O=C(O)C1=CC=C(C(C)(C)C)C(I)=C1 AK-93343 [0,2,0,0,0,0|1,0,0]=3 269 B14R1.307 CC(C1=CC=C([N+]([O-])=O)C=C1)(C)C#N AK-46907 [0,2,0,0,0,0|2,0,0]=4 270 B14R1.719 C1=CC(=CC=C1C(F)(F)F)C(OC)=O AK-47500 [0,2,0,0,0,0|2,0,0]=4 271 B14R1.719 CC(C1=CC=C(C(CBr)=O)C=C1)(C)C AK117539 [0,2,0,0,0,0|0,0,0]=2 272 B14R1.719 CCC(C1=CC=C(C(F)(F)F)C=C1)=O AK-86443 [0,2,0,0,0,0|2,0,0]=4 273 B14R1.719 FC(C1=CC=C(C(CN)=O)C=C1)(F)F AK-86498 [0,2,0,0,0,0|2,0,0]=4 274 B14R1.719 O=C(C1=CC=C(C(F)(F)F)C=C1)CBr AK-39054 [0,2,0,0,0,0|2,0,0]=4 275 B14R1.719 O=C(NN)C1=CC=C(C(C)(C)C)C=C1 AK-86910 [0,2,0,0,0,0|1,0,0]=3 276 B14R1.3332 C1=CC(=CC=C1C(C)(C)C)[S](N)(=O)=O AK-44395 [0,2,0,0,0,0|2,0,0]=4 277 B14R1.610 C1=C(C=CC(=C1)N(C)C)C(OCC)=O AK-41116 [0,2,0,0,0,0|1,0,0]=3 278 B14R1.610 O=C(OCC)C1=CC=C(C(C)=O)C=C1 AK117214 [0,2,0,0,0,0|1,0,1]=4 279 B14R1.718 O=C(OC)C1=CC=C(C(OC)=O)C=C1 AK-44758 [0,2,0,0,0,0|1,0,1]=4 280 B14R1.718 O=C(OC)C1=CC=C([C@@H](N)CO)C=C1 AK340713 [0,2,0,0,0,0|1,0,0]=3 281 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 AK151208 [1,0,0,1,0,0|0,0,0]=2 282 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O AK549131 [1,0,0,1,0,0|1,0,0]=3 283 B14R2.601 O=C1NC2=C(C=C(C(C)=O)C=C2)C1 AK115958 [0,0,0,1,0,1|1,0,1]=4 284 B14R2.4348 O=C(O)C1=CC=C(C2CC2)C(Br)=C1 AK133861 [0,1,0,1,0,0|1,0,0]=3 285 B14R2.5719 CN1N=CC2=CC(=CC=C12)C(C)=O AK-79822 [0,1,0,1,0,0|1,0,1]=4 286 B14R2.3123 O=S(C1=CC=C(C2CC2)C=C1)(Cl)=O AK119966 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.31 CC(C)C1=NC(C=O)=CS1 AK-57998 [1,0,0,0,1,0|2,0,0]=4 288 B10R1.31 O=CC1=CC=C(N(C)C)S1 AK-98740 [1,0,0,0,1,0|2,0,0]=4 289 B10R1.31 O=CC1=CN(C(C)C)N=C1 AK-89181 [1,0,0,0,1,0|2,0,0]=4 290 B12R1.4 C1=C(CC(C)=O)C=CC(=C1)OC AK-43869 [1,0,0,0,0,1|1,0,0]=3 291 B12R1.4 C1=CC(=CC=C1OC)CC(O)=O AK-47564 [1,0,0,0,0,1|2,0,0]=4 292 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 AK-43945 [1,0,0,0,0,1|0,0,0]=2 293 B12R1.4 CC(NC1=CC=C(C#N)C=C1)=O AK-80147 [1,0,0,0,0,1|1,0,1]=4 294 B12R1.4 CC(NC1=CC=C(C=O)C=C1)=O AK-46288 [1,0,0,0,0,1|1,0,1]=4 295 B12R1.4 CC(NC1=CC=C(CN)C=C1)=O AK144131 [1,0,0,0,0,1|1,0,0]=3 296 B12R1.4 CC(OC1=CC=C(CBr)C=C1)=O AK146329 [1,0,0,0,0,1|1,0,0]=3 297 B12R1.4 NNC1=CC=C(OC(C)C)C=C1 AK153556 [1,0,0,0,0,1|2,0,0]=4 298 B12R1.4 O=C(O)CC1=CC=C(CN)C=C1 AK-93749 [1,0,0,0,0,1|2,0,0]=4 299 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 AK135016 [1,0,0,0,0,1|2,0,0]=4 300 B12R1.4 O=C(O)CC1=CC=C(SC)C=C1 AK-45539 [1,0,0,0,0,1|2,0,0]=4 301 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 AK-48956 [1,0,0,0,0,1|2,0,0]=4 302 B12R1.4 O=CC1=CN=C(OC(C)C)C=C1 AK-62071 [1,0,0,0,0,1|1,0,0]=3 303 B12R1.258 CC(C)C1=CC=CC(=C1)C(C)=O AK110654 [0,0,0,0,1,1|0,0,0]=2 304 B12R1.258 CC(C1=CC=CC([C@@H](N)C)=C1)=O AK608009 [0,0,0,0,1,1|1,0,0]=3 305 B12R1.258 O=C(O)C1=CC=CC(C(O)C)=C1 AK141759 [0,0,0,0,1,1|2,0,0]=4 306 B12R1.258 O=C(O)C1=CC=CC(N(C)C)=C1 AK-72867 [0,0,0,0,1,1|2,0,0]=4 307 B12R1.258 O=C(O)C1=CC=NC(C(C)C)=C1 AK442014 [0,0,0,0,1,1|1,0,0]=3 308 B14R1.419 CC(\C=C\C1=CC=C(N(C)C)C=C1)=O AK-89568 [0,0,0,0,0,2|1,0,0]=3 309 B14R1.805 O=C(O)CC1=CC=C(CC(C)C)C=C1 AK-51509 [0,0,0,0,0,2|1,0,0]=3