0 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [1,0,0,0,0,0|1,0,2]=4 1 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [1,0,0,0,0,0|2,0,1]=4 2 B14R1.6455 O=C(O)\C(C1=CC=CC=C1)=C/C(O)=O AK-61161 [0,1,0,0,0,0|2,0,1]=4 3 B14R2.598 O=C1C(C2=CC=CC=C2)=CC(O1)=O AK113240 [0,0,0,1,0,0|2,0,1]=4 4 B14R2.598 O=C1CC(C)=NN1C2=CC=CC=C2 AK128848 [0,0,0,1,0,0|2,0,1]=4 5 B14R1.540 CC(C)C\C=C(C1=CC=CC=C1)\C=O AK307045 [0,0,0,0,0,1|0,0,0]=1 6 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [2,0,0,0,0,0|2,0,0]=4 7 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [2,0,0,0,0,0|0,0,1]=3 8 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [2,0,0,0,0,0|1,0,1]=4 9 B11R1.16 O=C(OCC)C1=CC=NC=C1 AK-50699 [2,0,0,0,0,0|2,0,0]=4 10 B11R1.16 O=C(OCC)C1=CN=CC=C1 AK-88428 [2,0,0,0,0,0|2,0,0]=4 11 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [2,0,0,0,0,0|2,0,0]=4 12 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [2,0,0,0,0,0|1,0,1]=4 13 B13R1.132 O=C(OC(C)C)C1=CC=C(O)C=C1 AK116636 [1,1,0,0,0,0|1,0,0]=3 14 B13R1.147 O=C(OC(C)C)C1=CC=CC(N)=C1 AK118416 [1,1,0,0,0,0|1,0,0]=3 15 B13R1.201 O=C(OC(C)C)C1=CC=CC=C1N AK-47959 [1,1,0,0,0,0|1,0,0]=3 16 B13R1.347 CC(C)NS(=O)(=O)C1=CC=CC=C1 AK102431 [1,1,0,0,0,0|2,0,0]=4 17 B13R1.347 O=S(C1=CC=CC=C1)(OC(C)C)=O AK167578 [1,1,0,0,0,0|2,0,0]=4 18 B13R1.1111 CC(C)[C@@H](C1=CC=CC=C1)C(O)=O AK162327 [0,1,0,0,1,0|0,0,1]=3 19 B13R1.1111 CC(C)[C@H](C1=CC=CC=C1)C(O)=O AK-58328 [0,1,0,0,1,0|0,0,1]=3 20 B13R2.3 C1(C2=CC=CC=C2)=CCCCC1 AK339077 [1,0,0,1,0,0|1,0,1]=4 21 B13R2.1613 C1=CC=CC2=NC=CC(=C12)C=O AK-25975 [1,0,0,1,0,0|1,0,1]=4 22 B13R2.1613 O=CC1=C2C=CC=CC2=CC=C1 AK105972 [1,0,0,1,0,0|0,0,2]=4 23 B13R2.1613 O=CC1=CN=CC2=C1C=CC=C2 AK-24096 [1,0,0,1,0,0|1,0,1]=4 24 B13R2.2931 CN1C=C(C=O)C2=CC=CN=C12 AK-49479 [1,0,0,1,0,0|2,0,0]=4 25 B13R2.2931 O=CC1=CN(C)C2=C1C=CC=C2 AK-61647 [1,0,0,1,0,0|1,0,0]=3 26 B13R2.2931 O=CC1=NN(C)C2=C1C=CC=C2 AK-40372 [1,0,0,1,0,0|2,0,0]=4 27 B13R2.12159 CC1(C)CC(=O)C2=CC=CC=C12 AK-90073 [1,0,0,1,0,0|0,0,1]=3 28 B13R2.135 C1=CC=CC2=C1C(=C(C)[NH]2)C=O AK-16445 [0,0,0,1,1,0|1,0,1]=4 29 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [1,0,0,0,1,0|1,0,1]=4 30 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [1,0,0,0,1,0|1,0,1]=4 31 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [1,0,0,0,1,0|1,0,1]=4 32 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 AK-65185 [1,0,0,0,0,1|1,0,0]=3 33 B13R1.45 N1=CC(=CC=C1)C(C=CN(C)C)=O AK-50639 [1,0,0,0,0,1|2,0,0]=4 34 B13R1.45 O=C(C1=CC=CN=C1)\C=C\N(C)C AK-55389 [1,0,0,0,0,1|2,0,0]=4 35 B13R1.45 O=C(NNC(C)C)C1=CC=NC=C1 AK161712 [1,0,0,0,0,1|2,0,0]=4 36 B13R1.348 CC(C)CC(CC1=CC=CC=C1)=O AK115092 [1,0,0,0,0,1|0,0,1]=3