0 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 ALBB-017969 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.58 CC1=CC(C(=O)O)=NN1C ALBB-006145 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CC=C(C)O1 ALBB-002841 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.35 CC1=CC(C(=O)O)=NO1 ALBB-000121 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.35 CC1=CC=C(C(=O)Cl)O1 ALBB-028818 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.35 CC1=CC=C(C(=O)Cl)S1 ALBB-011191 [1,0,0,0,0,0|2,1,0]=4 6 B9R1.35 CC1=CC=C(C(=O)O)O1 ALBB-026656 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.35 CC1=CC=C(C(=O)O)S1 ALBB-000788 [1,0,0,0,0,0|1,1,0]=3 8 B9R1.35 CC1=NC(C(=O)O)=CO1 ALBB-016466 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.35 CC1=NC=C(C(=O)O)S1 ALBB-024727 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.35 CC1=NNC(C(=O)O)=C1 ALBB-006653 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 CN1C=CC(C(=O)O)=N1 ALBB-004719 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.35 NC(=O)C1=CC=C(Br)S1 ALBB-010193 [1,0,0,0,0,0|1,2,0]=4 13 B9R1.35 NC1=CC(C(=O)O)=NN1 ALBB-000317 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 NC1=CC(C(=O)O)=NN1 ALBB-000317 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 ALBB-011190 [1,0,0,0,0,0|1,1,0]=3 16 B9R1.35 O=C(O)C1=CC(Br)=CS1 ALBB-000933 [1,0,0,0,0,0|0,2,0]=3 17 B9R1.35 O=C(O)C1=CC(Br)=NO1 ALBB-034815 [1,0,0,0,0,0|1,1,0]=3 18 B9R1.35 O=C(O)C1=CC(O)=NO1 ALBB-005422 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.35 O=C(O)C1=CC=C(Br)S1 ALBB-000786 [1,0,0,0,0,0|0,2,0]=3 20 B9R1.35 O=C(O)C1=CC=C(Cl)S1 ALBB-000787 [1,0,0,0,0,0|0,1,0]=2 21 B9R1.35 O=C(O)C1=CSC(Br)=N1 ALBB-026644 [1,0,0,0,0,0|2,1,0]=4 22 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 ALBB-000934 [0,1,0,0,0,0|1,2,0]=4 23 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 ALBB-006209 [0,0,0,0,0,1|2,1,0]=4 24 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 ALBB-013962 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 ALBB-026895 [0,0,0,0,0,1|2,1,0]=4 26 B11R1.21 O=C(O)C1=CC=C(I)C(Br)=C1 ALBB-032708 [0,0,0,0,0,1|1,2,0]=4 27 B11R1.74 CC1=CC(=O)C=C(C(=O)O)O1 ALBB-018720 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.74 NC(=O)C1=NC(C)=CC(Cl)=C1 ALBB-035132 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 ALBB-006233 [0,0,0,0,0,1|1,0,0]=2 30 B11R1.74 O=C1C=C(C(=O)O)NC(=S)N1 ALBB-025579 [0,0,0,0,0,1|3,0,0]=4 31 B8R1.1 O=CC1=CC=C(Br)O1 ALBB-004687 [2,0,0,0,0,0|0,1,0]=3 32 B8R1.7 N=C(N)C1=CC=CO1 ALBB-008866 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.7 O=C(O)C1=CN=CS1 ALBB-013700 [2,0,0,0,0,0|1,1,0]=4 34 B8R1.7 O=C(O)C1=CNC=N1 ALBB-025706 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.7 O=C(O)C1=COC=C1 ALBB-005990 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.7 O=C(O)C1=CSC=C1 ALBB-012106 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.7 O=C(O)C1=NNC=C1 ALBB-006075 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.14 CC1=CC=C(C(=O)NN)O1 ALBB-026658 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 ALBB-002875 [1,1,0,0,0,0|1,1,0]=4 40 B10R1.14 COC(=O)C1=CC(O)=NO1 ALBB-005495 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.14 COC(=O)C1=CC=C(Br)O1 ALBB-005478 [1,1,0,0,0,0|0,1,0]=3 42 B10R1.14 COC(=O)C1=CC=C(C)O1 ALBB-026666 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.14 COC(=O)C1=CC=C(C)S1 ALBB-017974 [1,1,0,0,0,0|1,1,0]=4 44 B10R1.14 NNC(=O)C1=CC=C(Br)O1 ALBB-002491 [1,1,0,0,0,0|1,1,0]=4 45 B10R1.14 NNC(=O)C1=CC=C(Cl)S1 ALBB-002748 [1,1,0,0,0,0|1,1,0]=4 46 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 ALBB-034446 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.31 CCC1=CC=C(C(=O)O)S1 ALBB-000936 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.31 O=C(O)C1=CC=C(CO)O1 ALBB-004523 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 ALBB-035324 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 ALBB-032654 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.194 CC1=CC=C(C(=O)O)N1C ALBB-032917 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.48 COC1=COC(C(=O)O)=CC1=O ALBB-028631 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 ALBB-010745 [0,1,0,0,0,1|1,0,0]=3 54 B12R1.1005 O=C(O)C1=CC(O)=C(Cl)C(O)=C1 ALBB-018281 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 ALBB-002700 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.511 O=C(O)C1=C(O)C(Br)=CC(Cl)=C1 ALBB-036488 [0,1,0,0,0,1|1,1,0]=4 57 B10R1.13 O=C1C=CC(C(=O)O)=CO1 ALBB-033465 [0,0,1,1,0,0|2,0,0]=4 58 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 ALBB-017976 [0,0,1,1,0,0|2,0,0]=4 59 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 ALBB-004383 [1,0,0,0,0,1|2,0,0]=4