0 B15R2.984 C1=C2C(=CC(=C1C(O)=O)O)C=CC=C2 AK-73003 [0,0,0,0,0,0|1,0,1]=2 1 B15R2.984 ClC1=NC2=CC=CC=C2N=C1C(=O)O AK-40100 [0,0,0,0,0,0|3,0,0]=3 2 B15R2.984 NC1=CC2=C(C=CC=C2)C=C1C(O)=O AK-35789 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.984 O=C(C1=CC2=C(NC1=O)N=CC=C2)O AK116316 [0,0,0,0,0,0|2,0,0]=2 4 B15R2.984 O=C(C1=NC2=C(C=CC=C2)NC1=O)O AK-24187 [0,0,0,0,0,0|2,0,0]=2 5 B15R2.984 O=C1OC2=C(C=CC=C2)C=C1C(O)=O AK324565 [0,0,0,0,0,0|0,0,0]=0 6 B15R2.984 OC(=O)C1=CC2=C(C=CC=C2)N=C1Cl AK-77229 [0,0,0,0,0,0|2,0,0]=2 7 B14R2.781 C1=C2C(=CN=C1C(O)=O)C=CC=C2 AK-26235 [1,0,0,0,0,0|2,0,0]=3 8 B14R2.781 C1=CC2=C(C=C(C=C2)C(=O)O)N=C1 AK-28074 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.781 C1=CC2=C(C=C1)C=C(C=C2)B(O)O AK-29150 [1,0,0,0,0,0|2,0,1]=4 10 B14R2.781 C1=CC=CC2=CC=C(N=C12)C(O)=O AK-29611 [1,0,0,0,0,0|2,0,0]=3 11 B14R2.781 C1=CC=CC2=NC=C(N=C12)C(O)=O AK-23657 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.781 CC(C1=CC=C2C=CC=CC2=C1)=O AK-41057 [1,0,0,0,0,0|2,0,0]=3 13 B14R2.781 O=C(C1=CC2=C(C=N1)C=CC=C2)O AK-29928 [1,0,0,0,0,0|2,0,0]=3 14 B14R2.781 O=C(C1=CC2=C(C=NC=C2)C=C1)O AK-32779 [1,0,0,0,0,0|2,0,0]=3 15 B14R2.781 O=C(C1=CC2=CC=CC=C2N=C1)O AK-26223 [1,0,0,0,0,0|1,0,0]=2 16 B14R2.781 O=C(C1=CC2=CC=CN=C2N=C1)O AK113006 [1,0,0,0,0,0|2,0,0]=3 17 B14R2.781 O=C(C1=CC=C2N=CC=CC2=C1)O AK-24770 [1,0,0,0,0,0|2,0,0]=3 18 B14R2.781 O=C(C1=CC=C2N=CC=NC2=C1)O AK-36121 [1,0,0,0,0,0|3,0,0]=4 19 B14R2.781 O=C(C1=NC2=CC=CC=C2N=C1)N AK138279 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.781 O=C(C1=NC2=CC=NC=C2C=C1)O AK-86351 [1,0,0,0,0,0|3,0,0]=4 21 B14R2.781 O=C(C1=NC2=NC=CC=C2C=C1)O AK112896 [1,0,0,0,0,0|3,0,0]=4 22 B14R2.781 O=C(C1OC2=CC=CC=C2OC1)O AK-34764 [1,0,0,0,0,0|1,0,2]=4 23 B14R2.781 O=C(N)C1=CC=C2C=CC=CC2=C1 AK126301 [1,0,0,0,0,0|2,0,0]=3 24 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 AK-44143 [1,0,0,0,0,0|1,0,0]=2 25 B14R2.781 OB(C1=CC2=CC=CC=C2N=C1)O AK-33891 [1,0,0,0,0,0|2,0,1]=4 26 B14R2.781 OC(=O)C1=CC=C2N=CN=CC2=C1 AK-27621 [1,0,0,0,0,0|3,0,0]=4 27 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl AK-40038 [1,0,0,0,0,0|2,0,0]=3 28 B16R2.23372 CC(=O)C1C(=O)N=C2C=CC=CC2=C1O AK-55034 [0,1,0,0,0,0|2,0,1]=4 29 B16R2.23372 O=C(O)C1=C(O)C=C2C=CC=CC2=C1O AK-86675 [0,1,0,0,0,0|1,0,1]=3 30 B16R2.23520 OC(=O)C1=CC2=CC=C(O)C=C2OC1=O AK-86871 [0,1,0,0,0,0|0,0,0]=1 31 B16R2.23521 O=C(O)C1=C(O)C=C2C=CC(Br)=CC2=C1 AK-31907 [0,1,0,0,0,0|1,0,1]=3 32 B16R2.23521 OC(=O)C1=CC2=C(C=CC(O)=C2)C=C1O AK-86917 [0,1,0,0,0,0|1,0,1]=3 33 B16R2.33941 COC(=O)C1=CC2=C(C=CC=C2)N=C1N AK100934 [0,1,0,0,0,0|2,0,0]=3 34 B14R2.450 C1=CC=CC2=C1[N](C)C(=C2)C(O)=O AK-29896 [0,0,0,0,1,0|2,0,0]=3 35 B14R2.450 CN1C(=NC2=C1C=CC=C2)C(O)=O AK-34031 [0,0,0,0,1,0|3,0,0]=4 36 B14R2.450 O=C(C1=C(Cl)C2=CC=CC=C2O1)O AK151086 [0,0,0,0,1,0|2,0,0]=3 37 B14R2.450 O=C(C1=C(Cl)C2=CC=CN=C2S1)O AK-31531 [0,0,0,0,1,0|3,0,0]=4 38 B14R2.624 O=C(C1=C(F)C=C2C=COC2=C1)O AK554600 [0,0,0,0,1,0|3,0,0]=4 39 B14R2.624 OC(=O)C1=CC2=C(NC=C2)C=C1Cl AK109679 [0,0,0,0,1,0|3,0,0]=4 40 B14R2.642 O=C(C1=C(C)N=C2C=CC=CN21)O AK117450 [0,0,0,0,1,0|3,0,0]=4 41 B14R2.642 O=C(C1=C2C=CC=CC2=NN1C)O AK-79271 [0,0,0,0,1,0|3,0,0]=4 42 B16R2.3989 O=C(O)CC1NC2=C(C=CC=C2)NC1=O AK-15507 [0,0,0,0,0,1|2,0,1]=4 43 B13R1.90 O=C(O)\C=C\C1=CC=CC=C1C=O AK-44934 [1,0,1,0,0,0|0,0,0]=2 44 B13R2.57 C1=C(C=CC2=NC=CC=C12)C=O AK-25085 [2,0,0,0,0,0|2,0,0]=4 45 B13R2.57 C1=C2C(=CC=C1)C=C(C=C2)CO AK-48971 [2,0,0,0,0,0|1,0,1]=4 46 B13R2.57 C1=NC(=CC2=C1C=CC=C2)C=O AK-24631 [2,0,0,0,0,0|2,0,0]=4 47 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 AK-30242 [2,0,0,0,0,0|1,0,0]=3 48 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 AK-25470 [2,0,0,0,0,0|2,0,0]=4 49 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1O AK-96652 [2,0,0,0,0,0|2,0,0]=4 50 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O AK-45516 [2,0,0,0,0,0|2,0,0]=4 51 B13R2.369 OC1=CC2=C(C=CC=C2)N=C1Cl AK-82046 [2,0,0,0,0,0|2,0,0]=4 52 B15R2.627 NC1=C2C=CC=CC2=CC=C1C(O)=O AK102038 [1,1,0,0,0,0|1,0,0]=3 53 B15R2.627 O=C(C1=C(O)C2=CC=CC=C2N=C1)O AK-34782 [1,1,0,0,0,0|1,0,0]=3 54 B15R2.627 O=C(C1=C(O)C2=NC=CC=C2N=C1)O AK-31929 [1,1,0,0,0,0|2,0,0]=4 55 B15R2.627 OC(=O)C1=C(Br)C2=C(C=CC=C2)C=C1 AK-25577 [1,1,0,0,0,0|1,0,0]=3 56 B15R2.627 OC(=O)C1=CNC2=C(C=CC=C2)C1=O AK-58702 [1,1,0,0,0,0|1,0,0]=3 57 B15R2.1601 C1=C(C=CC2=CC=CC=C12)C(=O)C=O AK-10003 [1,1,0,0,0,0|1,0,1]=4 58 B15R2.1601 COC(=O)C1=NC2=C(C=CC=C2)C=C1 AK-49531 [1,1,0,0,0,0|2,0,0]=4 59 B15R2.1601 COC(=O)C1=NC2=C(C=CC=C2)N=C1 AK104908 [1,1,0,0,0,0|2,0,0]=4 60 B15R2.1601 O=C(C1=CC2=C(C=N1)C=CC=C2)OC AK-29972 [1,1,0,0,0,0|2,0,0]=4 61 B15R2.1601 O=C(C1=CC2=CC=CC=C2N=C1)OC AK130436 [1,1,0,0,0,0|1,0,0]=3 62 B15R2.1601 O=C(C1=CC=C2N=CC=CC2=C1)OC AK-39659 [1,1,0,0,0,0|2,0,0]=4 63 B15R2.1601 O=C(OC)C1=CC=C2C=CC=CC2=C1 AK309188 [1,1,0,0,0,0|1,0,0]=3 64 B15R2.7174 O=C(C1=CC2=C(C=N1)C=CC(Br)=C2)O AK136133 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.7174 O=C(C1=CC2=CC(Br)=CC=C2N=C1)N AK138121 [1,1,0,0,0,0|2,0,0]=4 66 B15R2.7174 O=C(C1=CC2=CC(Br)=CC=C2N=C1)O AK-36415 [1,1,0,0,0,0|1,0,0]=3 67 B15R2.7174 O=C(C1=CC2=CC(O)=CC=C2N=C1)O AK164630 [1,1,0,0,0,0|1,0,0]=3 68 B15R2.7174 O=C(C1=CC=C2N=CC(F)=CC2=C1)O AK164728 [1,1,0,0,0,0|2,0,0]=4 69 B15R2.7174 O=C(C1=CC=C2N=CC(O)=CC2=C1)O AK174495 [1,1,0,0,0,0|2,0,0]=4 70 B15R2.7174 O=C(C1=NC2=CC(Br)=CC=C2C=C1)O AK-76417 [1,1,0,0,0,0|2,0,0]=4 71 B15R2.7174 OC(=O)C1=CC2=C(C=CC(Cl)=C2)N=C1 AK-27455 [1,1,0,0,0,0|1,0,0]=3 72 B15R2.7180 CC(C1=CC=C2C=C(Br)C=CC2=C1)=O AK157917 [1,1,0,0,0,0|2,0,0]=4 73 B15R2.7180 CC1=NC2=CC=C(C=C2C=C1)C(=O)O AK-26647 [1,1,0,0,0,0|2,0,0]=4 74 B15R2.7180 O=C(C1=CC2=C(C=N1)C=C(Br)C=C2)O AK-30596 [1,1,0,0,0,0|2,0,0]=4 75 B15R2.7180 O=C(C1=CC2=CC=C(O)C=C2N=C1)O AK164656 [1,1,0,0,0,0|1,0,0]=3 76 B15R2.7180 O=C(C1=CC=2C=CC(=O)OC2C=C1)O AK117360 [1,1,0,0,0,0|2,0,0]=4 77 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=CC2=C1 AK-86916 [1,1,0,0,0,0|1,0,0]=3 78 B15R2.7180 O=C(O)C1=CC=C2C=C(Cl)C=CC2=C1 AK146040 [1,1,0,0,0,0|1,0,0]=3 79 B15R2.7180 O=C(O)C1=CC=C2C=C(O)C=CC2=C1 AK-62829 [1,1,0,0,0,0|1,0,0]=3 80 B15R2.7180 OC(=O)C1=CC2=C(C=C(Br)C=C2)N=C1 AK-68195 [1,1,0,0,0,0|1,0,0]=3 81 B15R2.7180 OC(=O)C1=CC2=C(C=C1)N=C(Cl)C=C2 AK-27458 [1,1,0,0,0,0|2,0,0]=4 82 B15R2.7180 OC(=O)C1=NC2=C(C=C1)C=C(Br)C=C2 AK-76123 [1,1,0,0,0,0|2,0,0]=4 83 B15R2.13598 BrC1=C2N=CC(=CC2=CC=C1)C(=O)O AK-40010 [1,1,0,0,0,0|1,0,0]=3 84 B15R2.13598 O=C(C1=CC2=CC=CC(Br)=C2N=C1)O AK136119 [1,1,0,0,0,0|1,0,0]=3 85 B15R2.13598 O=C(C1=CC2=CC=CC(N)=C2N=C1)O AK200350 [1,1,0,0,0,0|1,0,0]=3 86 B15R2.13598 O=C(C1=CC=C2C(O)=CC=NC2=C1)O AK-76092 [1,1,0,0,0,0|2,0,0]=4 87 B15R2.13598 O=C(C1=NC2=CC=CC(Cl)=C2C=C1)O AK148471 [1,1,0,0,0,0|2,0,0]=4 88 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CC=CC2=C1 AK-28350 [1,1,0,0,0,0|1,0,0]=3 89 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=CC2=C1 AK160462 [1,1,0,0,0,0|1,0,0]=3 90 B15R2.13598 OC(=O)C1=CC2=C(C=C1)C(=O)C=CN2 AK-76339 [1,1,0,0,0,0|2,0,0]=4 91 B15R2.13598 OC(=O)C1=CC2=C(C=C1)C(Cl)=CC=N2 AK-27497 [1,1,0,0,0,0|2,0,0]=4 92 B15R2.14951 O=C(C1=CC(O)=C2N=CC=CC2=C1)O AK311511 [1,1,0,0,0,0|2,0,0]=4 93 B15R2.14951 O=C(C1=NC2=CC=CC=C2C(O)=C1)O AK-26023 [1,1,0,0,0,0|2,0,0]=4 94 B15R2.14951 OC(=O)C1=NC2=C(C=CC=C2)C(Br)=C1 AK-72594 [1,1,0,0,0,0|2,0,0]=4 95 B15R2.61353 BrC1=CC=NC2=CC=C(C=C12)C(=O)O AK-27564 [1,1,0,0,0,0|2,0,0]=4 96 B15R2.61353 OC(=O)C1=NC2=C(C=CC=C2Br)C=C1 AK-31169 [1,1,0,0,0,0|2,0,0]=4 97 B15R2.1824 CC1=CC2=C(C=C1)N=C(Cl)C(C=O)=C2 AK-87948 [1,1,0,0,0,0|2,0,0]=4 98 B15R2.1592 O=C(C1CC2=C(C=CC=C2)C1=O)OC AK315841 [0,1,0,0,1,0|0,0,2]=4 99 B15R2.7203 O=C(C=1N(C)C2=C(C1)C=CC(=C2)F)O AK431209 [0,1,0,0,1,0|2,0,0]=4 100 B15R2.13463 O=C(C=1N(C)C2=C(C1)C(=CC=C2)F)O AK483185 [0,1,0,0,1,0|2,0,0]=4 101 B15R2.14758 CN1C(=CC2=C1C=CC(Cl)=C2)C(O)=O AK-72525 [0,1,0,0,1,0|2,0,0]=4 102 B15R2.19393 O=C(C1=C(C)NC2=C1C=CC=C2)OC AK141901 [0,1,0,0,1,0|2,0,0]=4 103 B17R2.64948 O=C(O)C1=C(O)C=C2C=CC(OC)=CC2=C1 AK112987 [0,2,0,0,0,0|1,0,1]=4 104 B17R2.912270 C1=CC(=CC2=CC(=C(C(=C12)Br)O)C(O)=O)Br AK-39756 [0,2,0,0,0,0|1,0,1]=4 105 B17R2.50008 O=C(C1=CC2=C(NC1=O)N=CC=C2)OCC AK324480 [0,2,0,0,0,0|2,0,0]=4 106 B17R3.3374 O=C1OC(=O)C2=CC3=C(C=CC=C3)C=C12 AK-81746 [0,1,0,1,0,0|1,0,0]=3 107 B13R2.72 C1=CC=CC2=C1C(=C[NH]2)C(C)=O AK-47338 [1,0,0,0,1,0|2,0,0]=4 108 B13R2.72 O1C2=C(C(=N1)C(=O)O)C=CC=C2 AK-31280 [1,0,0,0,1,0|1,0,0]=3 109 B13R2.72 O=C(C1=C2C=CC=CN2N=C1)O AK-27754 [1,0,0,0,1,0|2,0,0]=4 110 B13R2.72 O=C(C1=CN=C2C=CC=CN21)O AK-30256 [1,0,0,0,1,0|2,0,0]=4 111 B13R2.72 O=C(C1=CNC2=C1C=CC=C2)N AK-42150 [1,0,0,0,1,0|2,0,0]=4 112 B13R2.72 O=C(C1=CNC2=C1C=CC=C2)O AK-46089 [1,0,0,0,1,0|1,0,0]=3 113 B13R2.72 O=C(C1=CNC2=C1C=NC=C2)O AK-45852 [1,0,0,0,1,0|2,0,0]=4 114 B13R2.72 O=C(C1=CNC2=CC=CN=C12)O AK-36589 [1,0,0,0,1,0|2,0,0]=4 115 B13R2.72 O=C(C1=CNC2=NC=CC=C21)O AK-46690 [1,0,0,0,1,0|2,0,0]=4 116 B13R2.72 O=C(C1=NNC2=C1C=CC=C2)O AK-27131 [1,0,0,0,1,0|2,0,0]=4 117 B13R2.72 OB(O)C1=COC2=C1C=CC=C2 AK-85399 [1,0,0,0,1,0|1,0,1]=4 118 B13R2.72 S1C2=C(C(=C1)C(=O)O)C=CC=C2 AK-29353 [1,0,0,0,1,0|0,1,0]=3 119 B13R2.430 O=C(C1=CC2=C(C=C1)C=CN2)O AK-25192 [1,0,0,0,1,0|2,0,0]=4 120 B13R2.430 O=C(C1=CC2=C(NC=C2)C=C1)O AK-28856 [1,0,0,0,1,0|2,0,0]=4 121 B13R2.430 O=C(C1=CN=C2C(NC=C2)=C1)O AK114425 [1,0,0,0,1,0|2,0,0]=4 122 B13R2.430 O=C(C1=CN=C2NC=CC2=C1)O AK-44421 [1,0,0,0,1,0|2,0,0]=4 123 B13R2.430 OC(=O)C1=CC2=C(C=CO2)C=C1 AK-29522 [1,0,0,0,1,0|2,0,0]=4 124 B13R2.430 OC(=O)C1=CC2=C(OC=C2)C=C1 AK-29581 [1,0,0,0,1,0|2,0,0]=4 125 B13R2.435 C1=C(C(C)=O)SC2=C1C=CC=C2 AK-47399 [1,0,0,0,1,0|1,1,0]=4 126 B13R2.435 C1=C(C(O)=O)OC2=C1C=CC=C2 AK-29301 [1,0,0,0,1,0|0,0,0]=2 127 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O AK-27807 [1,0,0,0,1,0|2,0,0]=4 128 B13R2.435 O1C2=C(N=C1C(C)=O)C=CC=C2 AK-31935 [1,0,0,0,1,0|2,0,0]=4 129 B13R2.435 O=C(C1=CC2=CC=CN=C2S1)O AK161700 [1,0,0,0,1,0|1,1,0]=4 130 B13R2.435 O=C(C1=CC2=NC=CC=C2N1)O AK-68312 [1,0,0,0,1,0|2,0,0]=4 131 B13R2.435 O=C(C1=CN2C=CC=CC2=N1)O AK-30092 [1,0,0,0,1,0|2,0,0]=4 132 B13R2.435 O=C(C1OC2=CC=CC=C2C1)O AK-30285 [1,0,0,0,1,0|0,0,2]=4 133 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C AK-45604 [1,0,0,0,1,0|2,0,0]=4 134 B13R2.435 O=C(C=1NC2=C(C1)C=NC=C2)O AK-49014 [1,0,0,0,1,0|2,0,0]=4 135 B13R2.435 O=C(C=1OC2=C(C1)C=CN=C2)O AK135360 [1,0,0,0,1,0|1,0,0]=3 136 B13R2.435 OC(=O)C1=CC2=CC=CC=C2N1 AK-46085 [1,0,0,0,1,0|1,0,0]=3 137 B13R2.435 OC(=O)C1=CC2=CC=CC=C2S1 AK-27833 [1,0,0,0,1,0|0,1,0]=3 138 B13R2.435 S1C2=C(N=C1C(=O)O)C=CC=C2 AK-40963 [1,0,0,0,1,0|1,1,0]=4 139 B13R2.435 [NH]1C2=NC=CC=C2C=C1C(=O)O AK-27984 [1,0,0,0,1,0|2,0,0]=4 140 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 AK-45349 [1,0,0,0,1,0|2,0,0]=4 141 B13R2.135 C1=CC=CC2=C1C(=C(C)[NH]2)C=O AK-16445 [1,0,0,0,1,0|2,0,0]=4 142 B13R2.135 O=CC1=C(Br)SC2=CC=CC=C21 AK150700 [1,0,0,0,1,0|1,1,0]=4 143 B13R2.135 O=CC1C(NC2=C1C=CC=C2)=O AK-90168 [1,0,0,0,1,0|1,0,1]=4 144 B15R1.3565 O=C(O)[C@@H](CC1=CC=CC=C1)CC(O)=O AK-35018 [0,0,1,0,0,1|0,0,2]=4 145 B15R2.988 BrC1=NC2=CC=CC=C2C(=C1)C(=O)O AK-32202 [0,0,0,0,1,1|2,0,0]=4 146 B15R2.988 O=C(C1=CC(Cl)=NC2=CC=CC=C12)O AK-26106 [0,0,0,0,1,1|2,0,0]=4 147 B15R2.988 O=C(C1=CC(O)=NC2=CC=CC=C12)O AK-25000 [0,0,0,0,1,1|1,0,1]=4