0 B13R2.328 C1=CC=CC2=C1C(NC(C2)=O)=O AK-24472 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.328 O=C1CC(C2=C(N1)C=CC=C2)=O AK-42607 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 AK-55016 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.328 O=C1NC(C2=C(N1)C=CC=C2)=O AK-26998 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.328 O=C1NC(Cl)=NC2=C1C=CC=C2 AK-84561 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.328 O=C1OC2=C(C=CC=C2)C(O)=C1 AK-49238 [0,0,0,0,0,0|2,0,2]=4 6 B13R2.328 OC1=NC(N)=C2C=CC=CC2=N1 AK-24683 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.328 OC1=NC2=CC=CC=C2C(C)=C1 AK-38350 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 AK100046 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 AK-29295 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.1081 O=C1C=COC2=CC=CC=C12 AK-26021 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 AK-46528 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.1081 O=C1CCOC2=CC=CN=C21 AK-30399 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 AK-27831 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [1,0,0,0,0,0|2,0,0]=3 19 B14R2.8235 C1=C(C=CC2=C1C(=O)C=C(O)N2)C AK-28862 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.8235 FC1=CC2=C(NC(=O)OC2=O)C=C1 AK-41630 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.28480 O=C1NC2=CC=CC(Br)=C2C(O1)=O AK101415 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.28480 O=C1NC2=CC=CC(Cl)=C2C(O1)=O AK115241 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.29365 ClC1=CC2=C(C=C1)C(=O)OC(=O)N2 AK-39645 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.29365 O=C1C=C(C)OC2=C1C=CC(O)=C2 AK268087 [0,1,0,0,0,0|3,0,0]=4 25 B14R2.29365 O=C1OC(NC2=C1C=CC(=C2)Br)=O AK-39648 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.75 O=CC1=CC=CC=C1OC(F)F AK-80061 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.283 C1=CC=CC(=C1C(O)=O)OCC AK-47485 [0,0,1,0,0,0|2,0,0]=3 28 B12R1.283 COCC1=C(C=CC=C1)C(O)=O AK-66841 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.283 O=C(O)C1=CC=NC=C1OCC AK137999 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.283 O=C(O)C1=NC=CC=C1OCC AK-76063 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.308 C1=CC=CC(=C1C(OCC)=O)F AK-46540 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.308 O=C(OCC)C1=CC=CC=C1Cl AK117233 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.308 O=C(OCC)C1=CC=CC=C1I AK-94262 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.308 O=C(OCC)C1=CC=CC=C1O AK114211 [0,0,1,0,0,0|2,0,0]=3 35 B12R1.308 O=C(OCC)C1=NC=CC=C1O AK126269 [0,0,1,0,0,0|3,0,0]=4 36 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [0,0,0,0,1,0|2,0,1]=4 37 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O AK-29599 [0,0,0,0,1,0|2,0,1]=4 38 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [0,0,0,0,1,0|3,0,0]=4 39 B12R2.2028 O=C1C2=C(C=CC=C2)C([N-]1)=O AK-98651 [0,0,0,0,1,0|2,0,1]=4 40 B12R2.2028 O=C1CC(C2=C1C=CC=C2)=O AK307475 [0,0,0,0,1,0|2,0,1]=4 41 B12R2.2028 O=C1NC(N)C2=C1C=CC=C2 AK158160 [0,0,0,0,1,0|3,0,0]=4 42 B12R2.2028 O=C1NC(O)C2=NC=CC=C21 AK146257 [0,0,0,0,1,0|3,0,0]=4 43 B12R2.2028 O=C1NN(C)C2=C1C=CC=C2 AK155423 [0,0,0,0,1,0|3,0,0]=4 44 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 AK-41089 [0,0,0,0,1,0|2,0,1]=4 45 B12R2.2028 O=C1OC(C2=CC=CN=C12)=O AK-44064 [0,0,0,0,1,0|2,0,1]=4 46 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 AK607884 [0,0,0,0,1,0|1,0,0]=2 47 B11R1.41 O=CC1=CC=CC=C1OCC AK156421 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.53 C1=CC=CC(=C1C=O)C(O)=O AK-46701 [1,0,1,0,0,0|1,0,1]=4 50 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O AK-44122 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.53 COC1=C(C(=O)O)C=CN=C1 AK-30272 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.53 COC1=CC=CN=C1C(=O)O AK-63990 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.53 O=C(O)C1=C(OC)N=CC=C1 AK-45121 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.53 O=C(O)C1=CC=CC=C1C#C AK129466 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.53 O=C(O)C1=CC=CC=C1CC AK-77452 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.53 O=C(O)C1=CC=CC=C1CO AK-35845 [1,0,1,0,0,0|1,0,0]=3 57 B11R1.53 O=C(O)C1=CC=CC=C1OC AK-77451 [1,0,1,0,0,0|1,0,0]=3 58 B11R1.222 C1=CC=CC(=C1C(OC)=O)Br AK-72980 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.222 COC(=O)C1=C(N)C=CC=C1 AK-41339 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.222 O=C(C1=NC=CC=C1O)OC AK-26201 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.222 O=C(NN)C1=CC=CC=C1O AK167835 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.222 O=C(OC)C1=C(O)N=CC=C1 AK-54451 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.222 O=C(OC)C1=CC=CC=C1C AK174020 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.222 O=C(OC)C1=CC=CC=C1Cl AK161838 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.222 O=C(OC)C1=CC=CC=C1I AK-76653 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.222 O=C(OC)C1=CC=CC=C1S AK554462 [1,0,1,0,0,0|1,1,0]=4 67 B11R1.222 O=C(OC)C1=CC=NC=C1O AK-49202 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.222 OC1=CC=CC=C1C(NO)=O AK-48843 [1,0,1,0,0,0|1,0,0]=3 69 B13R1.572 O=C(O)C1=CC=CC=C1OCCC AK114260 [0,1,1,0,0,0|2,0,0]=4 70 B13R1.12 CCOC(=O)C1=C(O)C(O)=CC=C1 AK-94909 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.446 O=C(OCC)C1=CC(I)=CC=C1O AK-93266 [0,1,1,0,0,0|2,0,0]=4 72 B13R1.4453 ClC1=C(C(=O)OCC)C(=CC=C1)O AK-28629 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.4453 O=C(OCC)C1=C(C)C=CC=C1O AK-45416 [0,1,1,0,0,0|2,0,0]=4 74 B13R2.342 BrC1=C2OCCC(=O)C2=CC=C1 AK-34021 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.342 ClC1=C2OCCC(=O)C2=CC=C1 AK-84400 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.342 O=C1CCOC2=C1C=CC=C2F AK-41267 [1,1,0,0,0,0|2,0,0]=4 77 B13R2.371 O=C1OCC(C2=C1C=CC=C2)=O AK241901 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.4818 O=C1CCOC2=C1C(Br)=CC=C2 AK172645 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.4818 O=C1CCOC2=C1C(C)=CC=C2 AK172630 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.3085 O=C1N(O)C(C2=CC=CC=C12)=O AK-47868 [0,1,0,0,1,0|2,0,0]=4 81 B13R2.2931 N#CI1OC(C2=CC=CC=C21)=O AK-60394 [0,1,0,0,1,0|2,0,0]=4 82 B13R2.4857 OC1=C2C(=O)OC(=O)C2=CC=C1 AK-80295 [0,1,0,0,1,0|1,0,1]=4 83 B13R2.5187 C1=C(Cl)C=CC2=C1C(OC2=O)=O AK-75678 [0,1,0,0,1,0|1,0,1]=4 84 B13R2.5187 O=C1OC(C2=C1C=CC(Br)=C2)=O AK-76808 [0,1,0,0,1,0|1,0,1]=4 85 B13R2.5187 O=C1OC(C2=C1C=CC(O)=C2)=O AK153929 [0,1,0,0,1,0|1,0,1]=4 86 B13R2.5569 O=C(C1=C2OCCC2=CC=C1)O AK-29214 [0,0,1,1,0,0|2,0,0]=4 87 B13R2.5569 O=C(C1=C2OCOC2=CC=C1)O AK-38428 [0,0,1,1,0,0|1,0,0]=3 88 B13R2.5569 OC(=O)C1=CC=CC2=C1N=CO2 AK100257 [0,0,1,1,0,0|2,0,0]=4 89 B13R2.5569 OC(=O)C1=CC=CC2=C1OC=C2 AK-28291 [0,0,1,1,0,0|2,0,0]=4 90 B11R2.10 OC1=NC2=CC=CC=C2O1 AK-35787 [1,0,0,0,1,0|2,0,0]=4