0 B11R1.91 CC(NCC1=CN=CN=C1)=O AK147247 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [0,0,0,0,0,0|2,1,0]=3 3 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 AK-32864 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AK-35529 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.91 [O-][N+](=O)/C=C/C1=CC=CC=C1 AK111240 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [1,0,0,0,0,0|0,0,0]=1 33 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [1,0,0,0,0,0|1,0,2]=4 35 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.21 CC(NNC1=CC=C(Br)C=C1)=O AK668231 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 AK111281 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 AK-98680 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 AK-80996 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AK163273 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AK-88701 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.21 O=C([O-])COC1=CC=C(Cl)C=C1 AK117329 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [0,1,0,0,0,0|1,0,2]=4 52 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [0,1,0,0,0,0|1,0,1]=3 56 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [0,1,0,0,0,0|0,0,0]=1 57 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [0,1,0,0,0,0|0,0,0]=1 58 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [0,1,0,0,0,0|0,0,0]=1 59 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [0,1,0,0,0,0|0,0,0]=1 60 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.43 C1=CC=C(C=C1)C[C@@H](C(=N)O)N AK-46083 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.43 NC(CC1=NC=CC=C1)C(O)=O AK-33695 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(O)=O AK-49740 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.43 N[C@H](CC1=CC=CN=C1)C(O)=O AK-50057 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.43 O=C(O)C(N)CC1=CC=CN=C1 AK-63469 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.43 O=C(O)C(N)CC1=CC=NC=C1 AK159175 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.43 O=C(O)[C@@H](N)CC1=CC=CN=C1 AK114411 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.43 O=C(O)[C@@H](N)CC1=CC=NC=C1 AK-49504 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.43 O=C(O)[C@H](N)CC1=CC=NC=C1 AK170035 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,1,0,0,0,0|1,0,1]=3 82 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,1,0,0,0,0|0,0,0]=1 84 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.107 O=C(O)CC(N)C1=CC=CN=C1 AK-40061 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.107 O=C(O)C[C@H](N)C1=CC=CN=C1 AK115430 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.125 O=C(O)COC1=CC=CC=C1F AK-83321 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.125 OC(=O)C=CC1=C(F)C=CC=C1 AK-77249 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AK-76850 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AK-88366 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AK-53858 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.226 OC(=O)COC1=CC(F)=CC=C1 AK-83320 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.891 C1(=CC=CC=C1)CC[S](=O)(=O)Cl AK-73134 [0,1,0,0,0,0|3,0,0]=4 108 B12R2.22 NC1CC(C2=CC=CC=C2)C1 AK186081 [0,0,0,1,0,0|2,0,1]=4 109 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,0,0,1,0,0|2,0,0]=3 110 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.24 CC1=CC2=CC=CC=C2N=C1 AK-72496 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.24 CC1CC2=C(CN1)C=CC=C2 AK-77462 [0,0,0,1,0,0|2,0,1]=4 113 B12R2.24 CC1CCC2=CC=CC=C2N1 AK-33768 [0,0,0,1,0,0|2,0,1]=4 114 B12R2.24 NC1CC2=C(C=CC=C2)CC1 AK-33697 [0,0,0,1,0,0|2,0,1]=4 115 B12R2.24 N[C@@H]1CC2=C(C=CC=C2)CC1 AK-25606 [0,0,0,1,0,0|2,0,1]=4 116 B12R2.24 N[C@H]1CC2=C(C=CC=C2)CC1 AK128431 [0,0,0,1,0,0|2,0,1]=4 117 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [0,0,0,1,0,0|0,0,0]=1 118 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [0,0,0,1,0,0|2,0,0]=3 120 B12R2.24 OC1CC2=C(C=CC=C2)CC1 AK324558 [0,0,0,1,0,0|1,0,2]=4 121 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [0,0,0,0,1,0|1,0,0]=2 122 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [0,0,0,0,1,0|2,0,0]=3 123 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [0,0,0,0,1,0|2,0,0]=3 124 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [0,0,0,0,1,0|1,0,1]=3 125 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [0,0,0,0,1,0|1,0,0]=2 126 B10R1.18 CC(NC1=NC=CC=N1)=O AK137493 [0,0,0,0,1,0|3,0,0]=4 127 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [0,0,0,0,1,0|2,0,1]=4 128 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [0,0,0,0,1,0|2,0,1]=4 129 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,0,0,0,1,0|1,0,1]=3 130 B10R1.18 FC(F)OC1=CC=CC=C1 AK161726 [0,0,0,0,1,0|2,0,1]=4 131 B10R1.18 N1=CN=CC(=C1)CC(=O)O AK-32588 [0,0,0,0,1,0|3,0,0]=4 132 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,0,0,0,1,0|2,0,0]=3 133 B10R1.18 NC(NC1=CC=CC=C1)=N AK117130 [0,0,0,0,1,0|3,0,0]=4 134 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,0,0,0,1,0|1,0,0]=2 135 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [0,0,0,0,1,0|2,0,0]=3 136 B10R1.18 O=C(N)CC1=NC=CC=N1 AK133068 [0,0,0,0,1,0|3,0,0]=4 137 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [0,0,0,0,1,0|2,0,0]=3 138 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [0,0,0,0,1,0|2,0,1]=4 139 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [0,0,0,0,1,0|2,0,0]=3 140 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [0,0,0,0,1,0|1,1,0]=3 141 B10R1.18 S=C(N)NC1=CC=CC=C1 AK305328 [0,0,0,0,1,0|2,1,0]=4 142 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [0,0,0,0,1,0|1,0,0]=2 143 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [0,0,0,0,1,0|3,0,0]=4 144 B12R1.252 CN(C)CCOC1=CC=CC=C1 AK-58292 [0,0,0,0,0,1|3,0,0]=4 145 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [0,0,0,0,0,1|1,0,0]=2 146 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [0,0,0,0,0,1|2,0,0]=3 147 B12R1.252 O=C(O)CCCC1=NC=CC=C1 AK-40572 [0,0,0,0,0,1|3,0,0]=4 148 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [0,0,0,0,0,1|2,0,0]=3 149 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [0,0,0,0,0,1|1,0,0]=2 150 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [0,0,0,0,0,1|2,0,0]=3 151 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [0,0,0,0,0,1|2,0,0]=3 152 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [0,0,0,0,0,1|2,0,0]=3 153 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [2,0,0,0,0,0|1,0,1]=4 154 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [2,0,0,0,0,0|1,0,0]=3 157 B9R1.8 CCCC1=CC=NC=C1 AK109267 [2,0,0,0,0,0|1,0,1]=4 158 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [2,0,0,0,0,0|1,0,1]=4 159 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.8 CNNC1=CC=CC=C1 AK119038 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [2,0,0,0,0,0|1,0,1]=4 165 B9R1.8 ONCC1=CC=CC=C1 AK110567 [2,0,0,0,0,0|1,0,1]=4 166 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [1,1,0,0,0,0|0,0,1]=3 169 B11R1.1 FC1=CC=C(CCNC)C=C1 AK140514 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [1,1,0,0,0,0|0,0,1]=3 171 B11R1.1 O=C\C=C\C1=CC=C(C)C=C1 AK101325 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 AK128976 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK131808 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK316818 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK158029 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK484893 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [1,1,0,0,0,0|0,0,1]=3 179 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [1,1,0,0,0,0|0,0,1]=3 180 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [1,1,0,0,0,0|0,0,1]=3 183 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [1,1,0,0,0,0|0,0,0]=2 184 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [1,1,0,0,0,0|0,0,1]=3 186 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.20 BrC1=CN=C(C=C1)CC(=O)O AK-46600 [0,1,0,0,1,0|2,0,0]=4 189 B11R1.20 C1=C(C=CC(=C1)F)CC(O)=O AK-49121 [0,1,0,0,1,0|1,0,0]=3 190 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [0,1,0,0,1,0|0,0,0]=2 191 B11R1.20 C1=CC(=CC=C1N)CC(O)=O AK-47573 [0,1,0,0,1,0|1,0,0]=3 192 B11R1.20 CC(NC1=CC=C(C)C=C1)=O AK208638 [0,1,0,0,1,0|1,0,0]=3 193 B11R1.20 CC(NC1=CC=C(I)C=C1)=O AK115722 [0,1,0,0,1,0|1,0,0]=3 194 B11R1.20 CC(NC1=CC=C(O)N=C1)=O AK152813 [0,1,0,0,1,0|2,0,0]=4 195 B11R1.20 CC(NC1=NC=C(Br)C=C1)=O AK-32386 [0,1,0,0,1,0|2,0,0]=4 196 B11R1.20 CC(NC1=NC=C(O)C=C1)=O AK114074 [0,1,0,0,1,0|2,0,0]=4 197 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 AK-59139 [0,1,0,0,1,0|2,0,0]=4 198 B11R1.20 NC1=CC=C(CN(C)C)C=C1 AK-35964 [0,1,0,0,1,0|2,0,0]=4 199 B11R1.20 NC1=CC=C(OC(C)C)C=C1 AK-42665 [0,1,0,0,1,0|1,0,1]=4 200 B11R1.20 O=C(N)CC1=CC=C(Cl)C=C1 AK201413 [0,1,0,0,1,0|1,0,0]=3 201 B11R1.20 O=C(N)CC1=NC=C(Br)C=C1 AK141365 [0,1,0,0,1,0|2,0,0]=4 202 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [0,1,0,0,1,0|1,0,0]=3 203 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 AK-48828 [0,1,0,0,1,0|2,0,0]=4 204 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AK-45403 [0,1,0,0,1,0|1,0,0]=3 205 B11R1.20 O=C(O)CC1=CC=C(N)N=C1 AK112112 [0,1,0,0,1,0|2,0,0]=4 206 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 AK139129 [0,1,0,0,1,0|2,0,0]=4 207 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AK-45378 [0,1,0,0,1,0|1,0,0]=3 208 B11R1.20 OC(=O)CC1=CC=C(Cl)C=C1 AK-76702 [0,1,0,0,1,0|1,0,0]=3 209 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AK101098 [0,1,0,0,1,0|1,0,0]=3 210 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [0,1,0,0,1,0|1,0,0]=3 211 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [0,1,0,0,1,0|1,0,0]=3 212 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [0,1,0,0,1,0|1,0,0]=3 213 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,1,0,0,1,0|0,0,1]=3 214 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [0,1,0,0,1,0|1,0,1]=4 215 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [0,1,0,0,1,0|1,0,1]=4 216 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [0,1,0,0,1,0|1,0,0]=3 217 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [0,1,0,0,1,0|0,0,2]=4 218 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [0,1,0,0,1,0|1,0,0]=3 219 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [0,1,0,0,1,0|0,0,2]=4 220 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [0,1,0,0,1,0|1,0,0]=3 221 B11R1.36 O=C(Cl)[C@H](N)C1=CC=CC=C1 AK-48226 [0,1,0,0,1,0|1,0,0]=3 222 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [0,1,0,0,1,0|1,0,0]=3 223 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [0,1,0,0,1,0|1,0,0]=3 224 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [0,1,0,0,1,0|1,0,0]=3 225 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [0,1,0,0,1,0|1,0,0]=3 226 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [0,1,0,0,1,0|1,0,0]=3 227 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [0,1,0,0,1,0|1,0,0]=3 228 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [0,1,0,0,1,0|1,0,0]=3 229 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [0,1,0,0,1,0|1,0,0]=3 230 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [0,1,0,0,1,0|1,0,0]=3 231 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [0,1,0,0,1,0|0,0,0]=2 232 B11R1.86 C1=C(OC(C)C)C(=CC=C1)N AK-39887 [0,1,0,0,1,0|1,0,1]=4 233 B11R1.86 C1=CC=CC(=C1CC(O)=O)C AK-45537 [0,1,0,0,1,0|1,0,0]=3 234 B11R1.86 C1=CC=CC(=C1CC(O)=O)O AK-47284 [0,1,0,0,1,0|1,0,0]=3 235 B11R1.86 CC(C)OC1=CC=CC=C1Br AK-45390 [0,1,0,0,1,0|1,0,1]=4 236 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [0,1,0,0,1,0|0,0,0]=2 237 B11R1.86 CC(NC1=CC=CC=C1N)=O AK112083 [0,1,0,0,1,0|1,0,0]=3 238 B11R1.86 CC(NC1=CC=CC=C1O)=O AK116958 [0,1,0,0,1,0|1,0,0]=3 239 B11R1.86 CC(NC1=NC=CC=C1O)=O AK124571 [0,1,0,0,1,0|2,0,0]=4 240 B11R1.86 IC1=C(C=CC=C1)CC(=O)O AK-73107 [0,1,0,0,1,0|1,0,0]=3 241 B11R1.86 NC1=NC=CC=C1CC(O)=O AK-68736 [0,1,0,0,1,0|2,0,0]=4 242 B11R1.86 O=C(O)CC1=CC=CC=C1Br AK-45376 [0,1,0,0,1,0|1,0,0]=3 243 B11R1.86 O=C(O)CC1=CC=CC=C1F AK-29262 [0,1,0,0,1,0|1,0,0]=3 244 B11R1.86 O=C(O)CC1=CC=CN=C1Cl AK139178 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.86 O=C(O)CC1=NC=CC=C1Cl AK-88771 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.157 C1=C(C=CC=C1Cl)CC(O)=O AK-47464 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.157 C1=C(C=CC=C1F)CC(O)=O AK-72993 [0,1,0,0,1,0|1,0,0]=3 248 B11R1.157 C1=C(C=CC=C1O)CC(O)=O AK-48396 [0,1,0,0,1,0|1,0,0]=3 249 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [0,1,0,0,1,0|0,0,0]=2 250 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 AK103372 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 AK-41020 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.157 CC(C)CC1=CC(Br)=CC=C1 AK148389 [0,1,0,0,1,0|1,0,1]=4 253 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [0,1,0,0,1,0|0,0,0]=2 254 B11R1.157 CC(NC1=CC=CC(N)=C1)=O AK-76549 [0,1,0,0,1,0|1,0,0]=3 255 B11R1.157 CC(NC1=CC=CC(O)=C1)=O AK-84439 [0,1,0,0,1,0|1,0,0]=3 256 B11R1.157 CC(NC1=NC(Br)=CC=C1)=O AK-92376 [0,1,0,0,1,0|2,0,0]=4 257 B11R1.157 CC(NC1=NC=CC(Cl)=C1)=O AK-29058 [0,1,0,0,1,0|2,0,0]=4 258 B11R1.157 CC(OC1=CC=CC(Br)=C1)=O AK-80146 [0,1,0,0,1,0|0,0,0]=2 259 B11R1.157 CC(OC1=CC=CC(F)=C1)=O AK135677 [0,1,0,0,1,0|0,0,0]=2 260 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 AK130105 [0,1,0,0,1,0|2,0,0]=4 261 B11R1.157 ClC1=NC=CC(=C1)NC(C)=O AK-28783 [0,1,0,0,1,0|2,0,0]=4 262 B11R1.157 O=C(N)CC1=CC=CC(Cl)=C1 AK-86174 [0,1,0,0,1,0|1,0,0]=3 263 B11R1.157 O=C(N)CC1=CC=CC(N)=C1 AK124849 [0,1,0,0,1,0|1,0,0]=3 264 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 AK113021 [0,1,0,0,1,0|2,0,0]=4 265 B11R1.157 O=C(O)CC1=CC(N)=NC=C1 AK548242 [0,1,0,0,1,0|2,0,0]=4 266 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 AK-42053 [0,1,0,0,1,0|1,0,0]=3 267 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 AK-61642 [0,1,0,0,1,0|1,0,0]=3 268 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 AK117142 [0,1,0,0,1,0|2,0,0]=4 269 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 AK117649 [0,1,0,0,1,0|2,0,0]=4 270 B11R1.157 O=C(O)CC1=NC=CC(C)=C1 AK-68184 [0,1,0,0,1,0|2,0,0]=4 271 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 AK164883 [0,1,0,0,1,0|2,0,0]=4 272 B11R1.157 O=C([O-])CC1=NC(C)=CC=C1 AK-91618 [0,1,0,0,1,0|2,0,0]=4 273 B11R1.509 CS(=O)(NC1=CC=CC=C1)=O AK-51764 [0,1,0,0,1,0|2,0,0]=4 274 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AK106161 [0,1,0,0,1,0|2,0,0]=4 275 B11R1.509 C[N+](C)(CC1=CC=CC=C1)C AK-76496 [0,1,0,0,1,0|2,0,0]=4 276 B11R1.509 C[N+](CC1=CC=CC=C1)(C)C AK-44880 [0,1,0,0,1,0|2,0,0]=4 277 B11R1.509 O=S(CC1=CC=CC=C1)(N)=O AK-32283 [0,1,0,0,1,0|2,0,0]=4 278 B11R1.25 O=C(OC)CCC1=CC=CN1 AK-86682 [0,1,0,0,1,0|2,0,0]=4 279 B13R1.45 O=C(O)CC[C@@H](N)C1=CC=CC=C1 AK174392 [0,1,0,0,0,1|2,0,0]=4 280 B13R1.45 O=C(O)CN[C@@H](C1=CC=CC=C1)C AK160811 [0,1,0,0,0,1|2,0,0]=4 281 B13R1.45 O=C(O)CN[C@H](C1=CC=CC=C1)C AK153106 [0,1,0,0,0,1|2,0,0]=4 282 B13R1.149 NC1=CC=CC(CCCC(O)=O)=C1 AK-36873 [0,1,0,0,0,1|2,0,0]=4 283 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 AK116882 [0,1,0,0,0,1|2,0,0]=4 284 B13R1.158 O=C(O)CCOC1=CC=CC=C1N AK155867 [0,1,0,0,0,1|2,0,0]=4 285 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 AK104968 [0,1,0,0,0,1|1,0,1]=4 286 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-44152 [0,1,0,0,0,1|2,0,0]=4 287 B13R1.348 O=C(O)C[C@@H](N)CC1=CC=CC=C1 AK-77790 [0,1,0,0,0,1|2,0,0]=4 288 B13R1.351 C1=CC=CC=C1COC(C(C)N)=O AK-41707 [0,1,0,0,0,1|1,0,1]=4 289 B13R1.351 C[C@@H](N)C(OCC1=CC=CC=C1)=O AK-49776 [0,1,0,0,0,1|1,0,1]=4 290 B13R1.351 C[C@H](N)C(OCC1=CC=CC=C1)=O AK-49907 [0,1,0,0,0,1|1,0,1]=4 291 B13R1.351 NN(C(OCC1=CC=CC=C1)=O)C AK-68379 [0,1,0,0,0,1|2,0,0]=4 292 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O AK107119 [0,1,0,0,0,1|2,0,0]=4 293 B13R1.351 O=C(O)C(N)CCC1=CC=CC=C1 AK-80198 [0,1,0,0,0,1|2,0,0]=4 294 B13R1.351 O=C(O)[C@@H](N)CCC1=CC=CC=C1 AK-47396 [0,1,0,0,0,1|2,0,0]=4 295 B13R1.351 O=C(O)[C@H](N)CCC1=CC=CC=C1 AK-44092 [0,1,0,0,0,1|2,0,0]=4 296 B13R1.351 [C@H](O)(C(=O)O)CCC1=CC=CC=C1 AK-34569 [0,1,0,0,0,1|2,0,0]=4 297 B13R1.513 C1=C(C=CC(=C1)O)CCCC(=O)O AK-25224 [0,1,0,0,0,1|2,0,0]=4 298 B13R1.513 CC(NCCC1=CC=C(O)C=C1)=O AK106967 [0,1,0,0,0,1|1,0,0]=3 299 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 AK-81606 [0,1,0,0,0,1|2,0,0]=4 300 B13R1.513 O=C(O)CCCC1=CC=C(C)C=C1 AK-92957 [0,1,0,0,0,1|2,0,0]=4 301 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 AK-38450 [0,1,0,0,0,1|2,0,0]=4 302 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 AK327765 [0,1,0,0,0,1|2,0,0]=4 303 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 AK162891 [0,1,0,0,0,1|2,0,0]=4 304 B13R1.718 C1=CC=CC=C1NCCC(=O)OC AK-48038 [0,1,0,0,0,1|1,0,0]=3 305 B13R1.718 CC(CBr)COCC1=CC=CC=C1 AK103236 [0,1,0,0,0,1|1,0,1]=4 306 B13R1.718 O=C(OC)CNCC1=CC=CC=C1 AK-62852 [0,1,0,0,0,1|1,0,0]=3 307 B13R1.718 O=C(OC)COCC1=CC=CC=C1 AK164941 [0,1,0,0,0,1|0,0,0]=2 308 B13R1.3523 CS(=O)(OCCC1=CC=CC=C1)=O AK136320 [0,1,0,0,0,1|1,0,0]=3 309 B13R1.3 C(#N)C1=CC=C(C=C1)CCC(=O)O AK-45844 [0,2,0,0,0,0|2,0,0]=4 310 B13R1.3 O=C(N)NCC1=CC=C(OC)C=C1 AK124246 [0,2,0,0,0,0|2,0,0]=4 311 B13R1.3 O=C(O)CCC1=CC=C(OC)C=C1 AK-88471 [0,2,0,0,0,0|2,0,0]=4 312 B13R1.14 BrC1=CC=C(C=C1)CCC(=O)OC AK-39981 [0,2,0,0,0,0|1,0,0]=3 313 B13R1.14 COC(=O)/C=C/C1=CC=C(O)C=C1 AK109487 [0,2,0,0,0,0|1,0,1]=4 314 B13R1.14 O=C(OC)CCC1=CC=C(I)C=C1 AK209542 [0,2,0,0,0,0|1,0,0]=3 315 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK-64364 [0,2,0,0,0,0|1,0,0]=3 316 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK175380 [0,2,0,0,0,0|1,0,0]=3 317 B13R1.14 O=C(OC)CCC1=CC=C(O)C=C1 AK-35645 [0,2,0,0,0,0|1,0,0]=3 318 B13R1.14 O=C(OC)CNC1=CC=C(O)C=C1 AK-88073 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.14 O=C(OC)\C=C\C1=CC=C(Br)C=C1 AK117162 [0,2,0,0,0,0|1,0,1]=4 320 B13R1.14 O=C(OC)\C=C\C1=CC=C(O)C=C1 AK-49067 [0,2,0,0,0,0|1,0,1]=4 321 B13R1.132 O=C(O)CC(N)C1=CC=C(Br)C=C1 AK-44663 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.132 O=C(O)CC(N)C1=CC=C(C)C=C1 AK-44082 [0,2,0,0,0,0|2,0,0]=4 323 B13R1.132 O=C(O)CC(N)C1=CC=C(Cl)C=C1 AK-47545 [0,2,0,0,0,0|2,0,0]=4 324 B13R1.132 O=C(O)CC(N)C1=CC=C(F)C=C1 AK-39870 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.133 CC1=CC=C(CC(N)C(O)=O)C=C1 AK-35255 [0,2,0,0,0,0|2,0,0]=4 326 B13R1.133 FC1=CC=C(C[C@H](N)C(=O)O)C=C1 AK-25301 [0,2,0,0,0,0|2,0,0]=4 327 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(O)=O AK-49382 [0,2,0,0,0,0|2,0,0]=4 328 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(O)=O AK-80383 [0,2,0,0,0,0|2,0,0]=4 329 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(O)=O AK-93419 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(O)=O AK-49989 [0,2,0,0,0,0|2,0,0]=4 331 B13R1.133 N[C@H](CC1=CC=C(C)C=C1)C(O)=O AK-81259 [0,2,0,0,0,0|2,0,0]=4 332 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(O)=O AK-49327 [0,2,0,0,0,0|2,0,0]=4 333 B13R1.133 O=C(N)[C@@H](N)CC1=CC=C(O)C=C1 AK117102 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.133 O=C(O)C(N)CC1=CC=C(O)C=C1 AK-81253 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Br)C=C1 AK-75929 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(Cl)C=C1 AK-81361 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1 AK139122 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(N)C=C1 AK-42598 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(O)C=C1 AK-62832 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(F)C=C1 AK-42471 [0,2,0,0,0,0|2,0,0]=4 341 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(N)C=C1 AK106107 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.133 O=C(O)[C@H](N)CC1=CC=C(O)C=C1 AK-49908 [0,2,0,0,0,0|2,0,0]=4 343 B13R1.133 [C@H](N)(CC1=CC=C(C)C=C1)C(O)=O AK-81281 [0,2,0,0,0,0|2,0,0]=4 344 B13R1.133 [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O AK-48062 [0,2,0,0,0,0|2,0,0]=4 345 B13R1.164 O=C(O)CCC1=CC=C(Br)C=C1F AK-94712 [0,2,0,0,0,0|2,0,0]=4 346 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Br AK-45825 [0,2,0,0,0,0|2,0,0]=4 347 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl AK-45828 [0,2,0,0,0,0|2,0,0]=4 348 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1O AK112329 [0,2,0,0,0,0|2,0,0]=4 349 B13R1.164 OC(=O)CCC1=C(F)C=C(Cl)C=C1 AK-63830 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.511 O=C(O)CCC1=CC=C(Br)C(F)=C1 AK548708 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.511 O=C(O)CCC1=CC=C(C)C(C)=C1 AK130343 [0,2,0,0,0,0|2,0,0]=4 352 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 AK-34356 [0,2,0,0,0,0|2,0,0]=4 353 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 AK-40959 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.511 O=C(O)CCC1=CC=C(F)C(Br)=C1 AK548710 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.11 O=C(OC)CC(N)C1=NC=CC=C1 AK409737 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104659 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.11 O=C(OC)C[C@H](N)C1=CC=CC=C1 AK104667 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 AK-79037 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.15 O=C(OC)CCC1=CC=CC(Br)=C1 AK-83017 [0,2,0,0,0,0|1,0,0]=3 360 B13R1.42 NCCC(OCC1=CC=CC=C1)=O AK-81294 [0,2,0,0,0,0|0,0,0]=2 361 B13R1.42 O=C(NCC1=CC=CC=C1)CC#N AK305341 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.42 O=C(OCC1=CC=CC=C1)NC=C AK-86292 [0,2,0,0,0,0|0,0,1]=3 363 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(OC)=O AK-44164 [0,2,0,0,0,0|1,0,0]=3 364 B13R1.135 O=C(OC)C(N)CC1=CC=CC=C1 AK-88496 [0,2,0,0,0,0|1,0,0]=3 365 B13R1.135 O=C(OC)[C@@H](O)CC1=CC=CC=C1 AK-43989 [0,2,0,0,0,0|1,0,0]=3 366 B13R1.135 O=C(OC)[C@H](N)CC1=CC=CC=C1 AK-44133 [0,2,0,0,0,0|1,0,0]=3 367 B13R1.135 O=C(OC)[C@H](O)CC1=CC=CC=C1 AK-42956 [0,2,0,0,0,0|1,0,0]=3 368 B13R1.528 COC(=O)CCC1=CC=CC=C1Br AK-48437 [0,2,0,0,0,0|1,0,0]=3 369 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(O)=O AK-49664 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.148 NC(CC1=CC(F)=CC=C1)C(O)=O AK-80309 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.148 N[C@@H](CC1=CC=CC(C)=C1)C(O)=O AK-41282 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(O)=O AK-45521 [0,2,0,0,0,0|2,0,0]=4 373 B13R1.148 O=C(O)C(N)CC1=CC=CC(C)=C1 AK-89323 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.148 O=C(O)C(N)CC1=CC=CC(O)=C1 AK-50979 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Br)=C1 AK-77026 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Cl)=C1 AK-50137 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Cl)=C1 AK-93785 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(N)=C1 AK325880 [0,2,0,0,0,0|2,0,0]=4 379 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(O)=C1 AK-86473 [0,2,0,0,0,0|2,0,0]=4 380 B13R1.148 O=C(O)[C@H](N)CC1=CC=CC(Br)=C1 AK-94768 [0,2,0,0,0,0|2,0,0]=4 381 B13R1.148 O=C(O)[C@H](N)CC1=CC=CC(Cl)=C1 AK162592 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.148 [C@H](N)(CC1=CC=CC(F)=C1)C(O)=O AK-81280 [0,2,0,0,0,0|2,0,0]=4 383 B13R1.152 CC(C(C)C(C1=CC=CC=C1)=O)=O AK-36052 [0,2,0,0,0,0|1,0,1]=4 384 B13R1.152 CC(C1=CC=CC=C1)C(N)C(O)=O AK-36440 [0,2,0,0,0,0|2,0,0]=4 385 B13R1.202 C1=C(C(=CC=C1)Cl)CC(C(O)=O)N AK-59197 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.202 N[C@H](CC1=CC=CC=C1Cl)C(O)=O AK-44107 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.202 O=C(O)C(N)CC1=CC=CC=C1Br AK-80271 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.202 O=C(O)C(N)CC1=CC=CC=C1C AK-89321 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1Br AK-89325 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1Cl AK109418 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1O AK172674 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.202 O=C(O)[C@H](N)CC1=CC=CC=C1Br AK-95498 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.202 O=C(O)[C@H](N)CC1=CC=CC=C1C AK109372 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.202 [C@@H](N)(CC1=C(F)C=CC=C1)C(O)=O AK-26481 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.202 [C@H](N)(CC1=C(F)C=CC=C1)C(O)=O AK-81279 [0,2,0,0,0,0|2,0,0]=4 396 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O AK-40093 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.1073 O=C(O)C(C)(C)CC1=CC=CC=C1 AK-86266 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.147 O=C(O)CC(N)C1=CC=CC(Br)=C1 AK-44480 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.147 O=C(O)CC(N)C1=CC=CC(F)=C1 AK-45520 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.147 O=C(O)C[C@@H](N)C1=CC=CC(F)=C1 AK115418 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.201 N[C@@H](CC(=O)O)C1=C(C=CC=C1)C AK-45136 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.201 O=C(O)C[C@@H](N)C1=CC=CC=C1C AK111346 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.713 O=C(O)CC(C1=CC=CC=C1)CN AK-32807 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.713 O=C(O)C[C@@H](C1=CC=CC=C1)CN AK142717 [0,2,0,0,0,0|2,0,0]=4 405 B13R1.713 O=C(O)C[C@H](C1=CC=CC=C1)CN AK164234 [0,2,0,0,0,0|2,0,0]=4 406 B13R1.90 CC(OCC1=CC=CC=C1C#N)=O AK164273 [0,2,0,0,0,0|0,0,0]=2 407 B13R1.90 O=C(O)CCC1=CC=CC=C1C#N AK-45829 [0,2,0,0,0,0|2,0,0]=4 408 B13R1.90 O=C(O)CCC1=CC=CC=C1OC AK164482 [0,2,0,0,0,0|2,0,0]=4 409 B13R1.150 O=C(O)CCC1=CC=CC(Br)=C1F AK118738 [0,2,0,0,0,0|2,0,0]=4 410 B13R1.893 O=C(O)CCC1=CC(Br)=CC=C1F AK548707 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.893 O=C(O)CCC1=CC(Cl)=CC=C1Cl AK548678 [0,2,0,0,0,0|2,0,0]=4 412 B13R1.893 O=C(O)CCC1=CC(Cl)=CC=C1F AK316588 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.643 COC1=CC=CC(CCC(O)=O)=C1 AK-32748 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.643 O=C(O)CCC1=CC=CC(C#N)=C1 AK-46076 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.3420 CC(COC1=CC(Cl)=CC(Cl)=C1)=O AK-86590 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(Br)=C1 AK548682 [0,2,0,0,0,0|2,0,0]=4 417 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [1,0,0,1,0,0|2,0,0]=4 418 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [1,0,0,1,0,0|1,0,0]=3 419 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [1,0,0,1,0,0|2,0,0]=4 420 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [1,0,0,1,0,0|1,0,0]=3 421 B11R2.1 CC1=N[NH]C2=CC=CC=C12 AK-24403 [1,0,0,1,0,0|2,0,0]=4 422 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [1,0,0,1,0,0|2,0,0]=4 423 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [1,0,0,1,0,0|2,0,0]=4 424 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [1,0,0,1,0,0|2,0,0]=4 425 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [1,0,0,1,0,0|1,0,0]=3 426 B11R2.1 O=C1NCC2=C1C=CC=N2 AK103949 [1,0,0,1,0,0|2,0,0]=4 427 B11R2.1 O=C1NCC2=C1C=CN=C2 AK173131 [1,0,0,1,0,0|2,0,0]=4 428 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [1,0,0,1,0,0|0,0,0]=2 429 B11R2.1 O=C1OCC2=NC=CC=C12 AK-45766 [1,0,0,1,0,0|1,0,0]=3 430 B11R2.20 C12=C(CNCC1)C=CC=C2 AK-26995 [1,0,0,1,0,0|1,0,1]=4 431 B11R2.20 C1CC2=CC=CC=C2CO1 AK-96680 [1,0,0,1,0,0|0,0,1]=3 432 B11R2.239 C1(C2=CC=CC=C2)CNC1 AK-36313 [1,0,0,1,0,0|2,0,0]=4 433 B11R2.10 C1=C([NH]C2=CC=CC=C12)C AK-44448 [0,0,0,1,1,0|1,0,1]=4 434 B11R2.10 C1=C2NC(=O)NC2=CC=C1 AK-45018 [0,0,0,1,1,0|2,0,0]=4 435 B11R2.10 C1=CC=CC2=C1C=C(Br)C2 AK-47275 [0,0,0,1,1,0|1,0,1]=4 436 B11R2.10 C1=CC=CC2=C1NC(S2)=O AK-49174 [0,0,0,1,1,0|1,1,0]=4 437 B11R2.10 C1=CC=NC2=C1OC(N2)=O AK-28047 [0,0,0,1,1,0|2,0,0]=4 438 B11R2.10 CC1=CC2=C(S1)C=CC=C2 AK110745 [0,0,0,1,1,0|0,1,1]=4 439 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [0,0,0,1,1,0|1,0,0]=3 440 B11R2.10 CC1=NC2=C(S1)C=CC=C2 AK-45781 [0,0,0,1,1,0|1,1,0]=4 441 B11R2.10 CC1=NC2=CC=CC=C2N1 AK-44028 [0,0,0,1,1,0|2,0,0]=4 442 B11R2.10 CC1=NC2=CC=CC=C2O1 AK161761 [0,0,0,1,1,0|1,0,0]=3 443 B11R2.10 CC1=NC2=NC=CC=C2O1 AK-30675 [0,0,0,1,1,0|2,0,0]=4 444 B11R2.10 N1C2=NC=CC=C2CC1=O AK-23546 [0,0,0,1,1,0|2,0,0]=4 445 B11R2.10 NC1=NC2=CC=CC=C2O1 AK-35247 [0,0,0,1,1,0|2,0,0]=4 446 B11R2.10 NC1CC2=C(C=CC=C2)C1 AK-51756 [0,0,0,1,1,0|1,0,1]=4 447 B11R2.10 O=C1CC2=NC=CC=C2N1 AK-39930 [0,0,0,1,1,0|2,0,0]=4 448 B11R2.10 O=C1N=C2C=CC=CN2C1 AK-80162 [0,0,0,1,1,0|2,0,0]=4 449 B11R2.10 O=C1NC2=C(C1)C=CN=C2 AK-90208 [0,0,0,1,1,0|2,0,0]=4 450 B11R2.10 O=C1NC2=C(C=CC=C2)C1 AK-49964 [0,0,0,1,1,0|1,0,0]=3 451 B11R2.10 O=C1OC2=CC=CC=C2C1 AK-77806 [0,0,0,1,1,0|0,0,0]=2 452 B11R2.10 OC1=NC2=CC=CC=C2O1 AK-35787 [0,0,0,1,1,0|1,0,1]=4 453 B11R2.10 OC1CC2=C(C=CC=C2)C1 AK-94248 [0,0,0,1,1,0|0,0,2]=4 454 B11R2.10 SC1=NC2=CC=CC=C2O1 AK161762 [0,0,0,1,1,0|1,1,0]=4 455 B13R2.10 C1=C(C2CC(=O)NC2)C=CC=C1 AK-23788 [0,0,0,1,0,1|1,0,0]=3 456 B13R2.10 CC1=NOC(C2=CC=CC=C2)=C1 AK142339 [0,0,0,1,0,1|1,0,1]=4 457 B13R2.10 O=C1CC(C2=CC=NC=C2)=NO1 AK-28379 [0,0,0,1,0,1|1,0,1]=4 458 B13R2.10 O=C1OC[C@@H](C2=CC=CC=C2)N1 AK-68242 [0,0,0,1,0,1|1,0,0]=3 459 B13R2.10 [C@H]1(NC(OC1)=O)C2=CC=CC=C2 AK-47582 [0,0,0,1,0,1|1,0,0]=3 460 B13R2.72 C1=CC=CC2=C1C(=C[NH]2)C(C)=O AK-47338 [0,0,0,1,0,1|1,0,1]=4 461 B13R2.72 CC(N1CCC2=C1C=CC=C2)=O AK-47012 [0,0,0,1,0,1|1,0,0]=3 462 B13R2.72 O=C(C1CCC2=C1C=CC=C2)O AK-39534 [0,0,0,1,0,1|2,0,0]=4 463 B13R2.72 O=C([C@@H]1NCC2=C1C=CC=C2)O AK550278 [0,0,0,1,0,1|2,0,0]=4 464 B13R2.72 O=C([C@H]1NCC2=C1C=CC=C2)O AK550292 [0,0,0,1,0,1|2,0,0]=4 465 B13R2.163 C1=CC=CC2=C1NC(=O)CCC2 AK-25978 [0,0,0,1,0,1|2,0,0]=4 466 B13R2.163 O=C1NC2=CC=CC=C2NCC1 AK-45215 [0,0,0,1,0,1|2,0,0]=4 467 B13R2.163 O=C1NCCC2=CC=CC=C2N1 AK551054 [0,0,0,1,0,1|2,0,0]=4 468 B13R2.423 O=C([C@H]1[C@H](C2=CC=CC=C2)C1)O AK158928 [0,0,0,1,0,1|2,0,0]=4 469 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 AK109985 [0,0,0,1,0,1|2,0,0]=4 470 B13R2.423 OC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 AK109855 [0,0,0,1,0,1|2,0,0]=4 471 B13R2.2382 C1(COCC2=CC=CC=C2)OC1 AK101061 [0,0,0,1,0,1|0,0,2]=4 472 B13R2.2382 [C@@H]1(COCC2=CC=CC=C2)OC1 AK-77308 [0,0,0,1,0,1|0,0,2]=4 473 B13R2.2382 [C@H]1(COCC2=CC=CC=C2)OC1 AK-49064 [0,0,0,1,0,1|0,0,2]=4 474 B13R2.155 ClC1=CC=C2C(=C1)NC(CC2)=O AK-73121 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.155 ClC1=CC=C2OCC(=O)CC2=C1 AK-96205 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 AK-47672 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)CC1 AK-76136 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)CN1 AK-50472 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.155 O=C1NC2=C(C=CC(F)=C2)CC1 AK-76139 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.155 OC1=CC=C2C(=C1)CC(CC2)=O AK-27129 [0,1,0,1,0,0|1,0,0]=3 481 B13R2.155 OC1=CC=C2C(=C1)NC(CC2)=O AK-51661 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O AK110949 [0,1,0,1,0,0|1,0,1]=4 483 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O AK-57794 [0,1,0,1,0,0|1,0,0]=3 484 B13R2.2383 C1(OCC2=CC=CC=C2)CNC1 AK-93411 [0,1,0,1,0,0|1,0,1]=4 485 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC AK163865 [0,1,0,1,0,0|1,0,0]=3 486 B13R2.369 O=C1NC2=C(C=CC=C2)CC1N AK-27578 [0,1,0,1,0,0|2,0,0]=4 487 B13R2.435 C1=C(C(C)=O)SC2=C1C=CC=C2 AK-47399 [0,1,0,1,0,0|1,0,1]=4 488 B13R2.435 CC(C1=NC2=CC=CC=C2N1)=O AK106395 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.435 O1C2=C(N=C1C(C)=O)C=CC=C2 AK-31935 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.435 O=C(C1NC2=C(C=CC=C2)C1)O AK-57170 [0,1,0,1,0,0|2,0,0]=4 491 B13R2.435 O=C(C1OC2=CC=CC=C2C1)O AK-30285 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C AK-45604 [0,1,0,1,0,0|1,0,1]=4 493 B13R2.328 C1=CC=CC2=C1C(NC(C2)=O)=O AK-24472 [0,1,0,1,0,0|1,0,1]=4 494 B13R2.5179 O=C1NC2=C(C(Br)=CC=C2)CC1 AK-92900 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.5179 OC1=CC=CC2=C1CCC(=O)N2 AK-72483 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.162 O=C1NC2=C(C=CC=C2Cl)CC1 AK312263 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.3683 BrC1=CC=C2C(=C1)CNC(C2)=O AK-31039 [0,1,0,1,0,0|1,0,0]=3 498 B13R2.3683 BrC1=CC=C2NC(CCC2=C1)=O AK-27042 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.3683 BrC1=CC=C2OC(=O)CCC2=C1 AK-72713 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.3683 O=C1CC2=C(C=C(O)C=C2)CC1 AK-28510 [0,1,0,1,0,0|1,0,0]=3 501 B13R2.3683 O=C1CCC2=C(O1)C=CC(I)=C2 AK544562 [0,1,0,1,0,0|2,0,0]=4 502 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CN1 AK-42603 [0,1,0,1,0,0|2,0,0]=4 503 B13R2.3683 O=C1NC2=C(C=C(N)C=C2)CC1 AK-92956 [0,1,0,1,0,0|2,0,0]=4 504 B13R2.3683 O=C1NC2=C(C=C(O)C=C2)CC1 AK-75703 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.12 CCOCC1=CC=CO1 AK119688 [1,0,0,0,1,0|1,0,1]=4 506 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [0,0,0,0,2,0|1,0,0]=3 507 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [0,0,0,0,2,0|1,0,0]=3 508 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [0,0,0,0,2,0|2,0,0]=4 509 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [0,0,0,0,2,0|2,0,0]=4 510 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [0,0,0,0,2,0|2,0,0]=4 511 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [0,0,0,0,2,0|2,0,0]=4 512 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [0,0,0,0,2,0|2,0,0]=4 513 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [0,0,0,0,2,0|2,0,0]=4 514 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [0,0,0,0,2,0|2,0,0]=4 515 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [0,0,0,0,2,0|1,0,1]=4 516 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [0,0,0,0,2,0|0,0,2]=4 517 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [0,0,0,0,2,0|2,0,0]=4 518 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [0,0,0,0,2,0|2,0,0]=4 519 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [0,0,0,0,2,0|1,1,0]=4 520 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [0,0,0,0,2,0|2,0,0]=4 521 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [0,0,0,0,2,0|1,0,0]=3 522 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [0,0,0,0,2,0|2,0,0]=4 523 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [0,0,0,0,2,0|2,0,0]=4 524 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [0,0,0,0,2,0|2,0,0]=4 525 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [0,0,0,0,2,0|2,0,0]=4 526 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [0,0,0,0,2,0|2,0,0]=4 527 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [0,0,0,0,2,0|2,0,0]=4 528 B9R1.13 CC(NC1=CSC=C1)=O AK-78788 [0,0,0,0,2,0|2,0,0]=4 529 B9R1.13 O=C(Cl)CC1=CC=CS1 AK-76957 [0,0,0,0,2,0|2,0,0]=4 530 B9R1.13 O=C(O)CC1=CC=CO1 AK126664 [0,0,0,0,2,0|2,0,0]=4 531 B13R1.337 NC(OCCCC1=CC=CC=C1)=O AK545335 [0,0,0,0,0,2|1,0,0]=3