0 B10R1.64 O=C(SC1=C(C)OC=C1)O AK307418 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.13 CC(NC1=CSC=C1)=O AK-78788 [1,0,0,0,0,0|1,1,0]=3 2 B9R1.41 C1=CC(=C(S1)N)C(=O)N AK-50549 [0,0,0,0,1,0|2,1,0]=4 3 B9R1.41 C1=NC(=C(C(O)=O)O1)C AK-25663 [0,0,0,0,1,0|3,0,0]=4 4 B9R1.41 CC(=O)N1C=COC1=O AK-82187 [0,0,0,0,1,0|2,0,0]=3 5 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [0,0,0,0,1,0|2,0,0]=3 6 B9R1.41 CC(C1=CN=CN1C)=O AK140652 [0,0,0,0,1,0|3,0,0]=4 7 B9R1.41 CC1=C(C=CN1)C(O)=O AK-77215 [0,0,0,0,1,0|2,0,0]=3 8 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [0,0,0,0,1,0|3,0,0]=4 9 B9R1.41 CC1=NOC=C1C(=O)O AK-33667 [0,0,0,0,1,0|3,0,0]=4 10 B9R1.41 CN1C=CN=C1C(C)=O AK-54843 [0,0,0,0,1,0|3,0,0]=4 11 B9R1.41 CN1N=CC=C1C(C)=O AK-40773 [0,0,0,0,1,0|2,0,0]=3 12 B9R1.41 ClC1=C(C=CS1)C(=O)O AK-29355 [0,0,0,0,1,0|2,1,0]=4 13 B9R1.41 O=C(C1=C(Br)SC=C1)O AK-34310 [0,0,0,0,1,0|2,1,0]=4 14 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.41 O=C(C1=C(C)N=CS1)O AK-29930 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.41 O=C(C1=C(C)OC=N1)O AK-24069 [0,0,0,0,1,0|2,0,0]=3 18 B9R1.41 O=C(C1=C(C)ON=C1)O AK-32464 [0,0,0,0,1,0|2,0,0]=3 19 B9R1.41 O=C(C1=C(C)SC=C1)O AK-33900 [0,0,0,0,1,0|1,1,0]=3 20 B9R1.41 O=C(C1=C(C)SC=N1)O AK-25323 [0,0,0,0,1,0|2,1,0]=4 21 B9R1.41 O=C(C1=CC=NN1C)O AK-33521 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.41 O=C(C1=CNN=C1C)O AK-39586 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.41 O=C(C1=CSC=C1C)O AK-64461 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.86 C1=CC=CC(=C1CC(O)=O)C AK-45537 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.86 CC(NC1=CC=CC=C1N)=O AK112083 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.86 CC(NC1=CC=CC=C1O)=O AK116958 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.86 CC(NC1=NC=CC=C1O)=O AK124571 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 AK-96691 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 AK103372 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.157 CC(NC1=CC=CC(N)=C1)=O AK-76549 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.157 CC(NC1=CC=CC(O)=C1)=O AK-84439 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.157 CC(NC1=NC(Br)=CC=C1)=O AK-92376 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.157 CC(OC1=CC=CC(Br)=C1)=O AK-80146 [0,0,0,0,0,1|2,1,0]=4 38 B11R1.157 CC(OC1=CC=CC(F)=C1)=O AK135677 [0,0,0,0,0,1|2,1,0]=4 39 B11R1.157 ClC1=NC=CC(=C1)NC(C)=O AK-28783 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.157 O=C([O-])CC1=NC(C)=CC=C1 AK-91618 [0,0,0,0,0,1|3,0,0]=4 41 B8R1.11 CC1=C(C=O)N=CS1 AK-74018 [2,0,0,0,0,0|1,1,0]=4 42 B8R1.11 CC1=C(SC=N1)C=O AK-36462 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.11 CC1=N[NH]C=C1C=O AK-27719 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.11 CSC1=C(C)OC=C1 AK307519 [2,0,0,0,0,0|0,0,0]=2 45 B8R1.11 C[N]1C(=CC=N1)C=O AK-34470 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.11 O=CC1=C(Br)SC=C1 AK129456 [2,0,0,0,0,0|1,1,0]=4 47 B8R1.11 O=CC1=C(C)NC=N1 AK117462 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.11 O=CC1=C(Cl)SC=C1 AK141878 [2,0,0,0,0,0|1,1,0]=4 49 B8R1.11 O=CC1=C(I)SC=C1 AK143585 [2,0,0,0,0,0|1,1,0]=4 50 B10R1.39 CCN1C=CC=C1C(C)=O AK-87978 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 AK-80296 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 AK104686 [0,1,0,0,1,0|1,1,0]=4 53 B10R1.59 CC(C1=C(Br)SC(Br)=C1)=O AK143157 [0,1,0,0,1,0|1,1,0]=4 54 B10R1.59 CC(C1=C(C)C=C(C)O1)=O AK126891 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.59 CC(C1=CC(C)=NN1C)=O AK-39987 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.192 O=C(C1=C(C)ON=C1C)O AK-40048 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.194 CC(C1=CNC(Br)=C1C)=O AK-25566 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.194 O=C(C1=C(C)N(C)C=C1)O AK164868 [0,1,0,0,1,0|2,0,0]=4 59 B12R1.75 CC(OC1=CC=CC=C1CBr)=O AK149576 [0,1,0,0,0,1|1,1,0]=4 60 B12R1.19 CC(NC1=CC=C(O)C(C)=C1)=O AK147875 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.438 CC(OC1=CC=CC(CBr)=C1)=O AK149577 [0,1,0,0,0,1|1,1,0]=4 62 B12R1.854 CC(OC1=C(C)OC(C)C1=O)=O AK109081 [0,2,0,0,0,0|0,1,1]=4 63 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [0,0,1,1,0,0|2,0,0]=4 64 B10R1.61 CC(C1=CC=CN=C1C)=O AK-60286 [0,0,1,1,0,0|2,0,0]=4 65 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,0,0,1,0,1|2,0,0]=4 66 B12R2.202 O=C1CC2=NC=CC(C)=C2N1 AK-59577 [0,0,0,1,0,1|2,0,0]=4 67 B12R2.606 O=C1NC2=C(C=CC(C)=C2)C1 AK-79359 [0,0,0,1,0,1|2,0,0]=4 68 B12R2.114 O=C1CCCC2=C(C=CS2)N1 AK-72509 [0,1,0,1,0,0|1,1,0]=4 69 B8R1.7 C1=COC=C1C(O)=O AK-32276 [1,0,0,0,1,0|1,0,0]=3 70 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [1,0,0,0,1,0|2,0,0]=4 71 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [1,0,0,0,1,0|2,0,0]=4 72 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [1,0,0,0,1,0|0,1,0]=3 73 B8R1.7 NC(=O)C1=COC=N1 AK-99961 [1,0,0,0,1,0|2,0,0]=4 74 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [1,0,0,0,1,0|1,0,0]=3 76 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.7 O=C(C1=COC=N1)O AK-29026 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [1,0,0,0,1,0|1,1,0]=4 79 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [1,0,0,0,1,0|1,1,0]=4