0 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 AK-65185 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.45 N1=CC(=CC=C1)C(C=CN(C)C)=O AK-50639 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.45 O=C(C1=CC=CN=C1)\C=C\N(C)C AK-55389 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.45 O=C(NNC(C)C)C1=CC=NC=C1 AK161712 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.45 O=C(O)CNC(C1=CC=CC=C1)=O AK-42216 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.30 C1=CC=NC=C1C(NCCO)=O AK-39366 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.30 CNCCC(C1=CC=CC=C1)=O AK400477 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.30 O=C(OCCC)C1=CC=CC=C1 AK-93452 [1,0,0,0,0,0|0,0,0]=1 8 B12R1.252 CN(C)CCOC1=CC=CC=C1 AK-58292 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.160 O=C(OCC(C)=O)C1=CC=CC=C1N AK152077 [0,1,0,0,0,0|1,0,1]=3 10 B14R1.540 CC(C)C\C=C(C1=CC=CC=C1)\C=O AK307045 [0,1,0,0,0,0|1,0,0]=2 11 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 AK-80834 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.813 O=S(C1=CC=CC=C1)(NCC(O)C)=O AK114352 [0,1,0,0,0,0|3,0,0]=4 13 B14R1.3098 O=C(C1=CC=CC=C1)CC[N+](C)(C)C AK402196 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.68 O[C@H]1CO[C@@H](C2=CC=CC=C2)OC1 AK-51339 [0,0,0,1,0,0|1,0,2]=4 15 B12R1.54 O=C(C1=CC=CS1)CCN(C)C AK115467 [0,0,0,0,1,0|3,0,0]=4 16 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,0,0,0,1,0|1,0,1]=3 17 B14R1.420 O=C(OCCN(C)C)C1=CC=CC=C1 AK139900 [0,0,0,0,0,1|1,0,0]=2 18 B14R1.423 O=C(OCC(C)C)CC1=CC=CC=C1 AK113962 [0,0,0,0,0,1|0,0,0]=1 19 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [2,0,0,0,0,0|0,0,0]=2 21 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.16 CCOC(=O)C1=NC=CC=N1 AK-85955 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.16 O=C(C1=NC=CN=C1)OCC AK-40036 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.16 O=C(OCC)C1=CC=NC=C1 AK-50699 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.16 O=C(OCC)C1=CN=CC=C1 AK-88428 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [2,0,0,0,0,0|1,0,1]=4 29 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [2,0,0,0,0,0|1,0,1]=4 30 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [2,0,0,0,0,0|1,0,1]=4 31 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [2,0,0,0,0,0|1,0,1]=4 32 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [2,0,0,0,0,0|1,0,1]=4 33 B13R1.17 C1=C(C=CC(=C1)O)C(CCCC)=O AK-47484 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.17 CCCCC(C1=CC=C(C)C=C1)=O AK-60992 [1,1,0,0,0,0|1,0,0]=3 35 B13R1.17 O=C(C1=CC=C(Br)C=C1)CCCCl AK112424 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.17 O=C(C1=CC=C(F)C=C1)CCCCl AK106983 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.17 O=C(C1=CC=C(O)C=C1)CCCCl AK114574 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.17 O=C(OCCC)C1=CC=C(O)C=C1 AK106260 [1,1,0,0,0,0|0,0,0]=2 39 B13R1.17 O=C(OCCO)C1=CC=C(O)C=C1 AK135792 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.17 [O-]C1=CC=C(C(OCCC)=O)C=C1 AK121813 [1,1,0,0,0,0|0,0,0]=2 41 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 AK102497 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.122 O=S(C1=CC=CC=C1)(OCCC)=O AK481899 [1,1,0,0,0,0|1,0,0]=3 43 B13R1.348 CC(C)CC(CC1=CC=CC=C1)=O AK115092 [1,1,0,0,0,0|1,0,1]=4 44 B13R1.718 CC(CBr)COCC1=CC=CC=C1 AK103236 [1,1,0,0,0,0|0,0,1]=3 45 B13R1.3523 CC(O)(C)CNCC1=CC=CC=C1 AK173248 [1,1,0,0,0,0|1,0,1]=4 46 B13R1.132 O=C(OC(C)C)C1=CC=C(O)C=C1 AK116636 [0,1,0,0,1,0|0,0,0]=2 47 B13R1.147 O=C(OC(C)C)C1=CC=CC(N)=C1 AK118416 [0,1,0,0,1,0|0,0,0]=2 48 B13R1.152 CC(C(C)C(C1=CC=CC=C1)=O)=O AK-36052 [0,1,0,0,1,0|1,0,1]=4 49 B13R1.201 O=C(OC(C)C)C1=CC=CC=C1N AK-47959 [0,1,0,0,1,0|0,0,0]=2 50 B13R1.347 CC(C)NS(=O)(=O)C1=CC=CC=C1 AK102431 [0,1,0,0,1,0|2,0,0]=4 51 B13R1.347 O=S(C1=CC=CC=C1)(OC(C)C)=O AK167578 [0,1,0,0,1,0|1,0,0]=3 52 B15R1.8019 O=C(OCCC(C)C)C1=CC=CC=C1O AK-93449 [0,1,0,0,0,1|0,0,0]=2 53 B15R1.3675 CC(C)C(=O)CC(=O)NC1=CC=CC=C1 AK-33034 [0,1,0,0,0,1|1,0,1]=4 54 B15R1.86 O=C(OCC(C)C)C1=CC=CC=C1NC AK-86672 [0,2,0,0,0,0|0,0,0]=2 55 B13R2.3 C1(C2=CC=CC=C2)=CCCCC1 AK339077 [1,0,0,1,0,0|2,0,0]=4 56 B13R2.371 O=C1CCC(C)C2=C1C=CC=C2 AK-80112 [1,0,0,1,0,0|1,0,0]=3 57 B13R2.371 O=C1CCC(O)C2=C1C=CC=C2 AK-40574 [1,0,0,1,0,0|2,0,0]=4 58 B13R2.371 O=C1OCC(C2=C1C=CC=C2)=O AK241901 [1,0,0,1,0,0|1,0,1]=4 59 B13R2.5252 C1=C2C(=CC=C1)NCCCC2=O AK-29782 [1,0,0,1,0,0|2,0,0]=4 60 B13R2.5252 O=C1C2=CC=CC=C2NCCN1 AK-86067 [1,0,0,1,0,0|2,0,0]=4 61 B13R2.5252 O=C1NCCCC2=CC=CC=C12 AK-36067 [1,0,0,1,0,0|1,0,0]=3 62 B13R2.2382 C1(COCC2=CC=CC=C2)OC1 AK101061 [1,0,0,1,0,0|1,0,1]=4 63 B13R2.2382 [C@@H]1(COCC2=CC=CC=C2)OC1 AK-77308 [1,0,0,1,0,0|1,0,1]=4 64 B13R2.2382 [C@H]1(COCC2=CC=CC=C2)OC1 AK-49064 [1,0,0,1,0,0|1,0,1]=4 65 B13R2.3122 CC1(C)CNCC2=C1C=CC=C2 AK140770 [1,0,0,1,0,0|1,0,1]=4 66 B13R2.12159 CC1(C)CC(=O)C2=CC=CC=C12 AK-90073 [0,0,0,1,1,0|0,0,0]=2 67 B15R2.467 CC1(C)COB(C2=CC=CC=C2)OC1 AK-84257 [0,1,0,1,0,0|1,0,1]=4 68 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,0,0,0,2,0|1,0,1]=4 69 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [0,0,0,0,2,0|1,0,1]=4 70 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [0,0,0,0,2,0|1,0,1]=4 71 B13R1.44 O=C(OCC=C)OC1=CC=CC=C1 AK656212 [1,0,0,0,0,1|0,0,2]=4