0  B9R0.35  CCOC(=O)C(C)CNC ALBB-016161 [0,0,0,0,0,0|1,0,1]=2
1  B9R0.35  CCOC(=O)C(C)N=C=S ALBB-011898 [0,0,0,0,0,0|2,0,1]=3
2  B8R0.1  CCOC(=N)CCCCl ALBB-003778 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.1  CCOC(=O)CCC#N ALBB-016432 [1,0,0,0,0,0|1,0,1]=3
4  B8R0.1  CCOC(=O)CNC=O ALBB-028027 [1,0,0,0,0,0|2,0,0]=3
5  B8R0.3  CCCC(N)C(=O)OC ALBB-016213 [1,0,0,0,0,0|1,0,2]=4
6  B8R0.3  CCOC(=O)C(N)CC ALBB-025857 [1,0,0,0,0,0|1,0,1]=3
7  B8R0.3  COC(=O)C(C)N=C=S ALBB-014378 [1,0,0,0,0,0|2,0,1]=4
8  B10R0.32  CCOC(=O)C(N)CC(C)C ALBB-006803 [0,1,0,0,0,0|1,0,2]=4
9  B10R0.2  CCNC(C)CC(=O)OCC ALBB-004076 [0,0,0,0,0,1|1,0,2]=4
10  B7R0.3  CCO\C=C(\C)C=O ALBB-017840 [2,0,0,0,0,0|1,0,1]=4
11  B7R0.7  CCNC(=O)CCCl ALBB-011970 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.7  CCOC(=N)CCCl ALBB-003779 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.7  CCOC(=N)CCO ALBB-033257 [2,0,0,0,0,0|2,0,0]=4
14  B7R0.7  CCOC(=O)CCO ALBB-013457 [2,0,0,0,0,0|1,0,0]=3
15  B7R0.7  CCOC(=O)CNN ALBB-008928 [2,0,0,0,0,0|2,0,0]=4
16  B7R0.7  CCOC(=O)CNN ALBB-008928 [2,0,0,0,0,0|2,0,0]=4
17  B7R0.5  CCNC(=O)C(C)Br ALBB-032028 [2,0,0,0,0,0|2,0,0]=4
18  B7R0.5  CCNC(=O)C(C)Cl ALBB-009554 [2,0,0,0,0,0|2,0,0]=4
19  B7R0.10  COC(=O)C(O)CCl ALBB-023713 [2,0,0,0,0,0|2,0,0]=4
20  B7R0.10  COC(=O)\C(C)=C/Br ALBB-035093 [2,0,0,0,0,0|1,0,1]=4
21  B9R0.5  CCNCCC(=O)OCC ALBB-016468 [1,1,0,0,0,0|0,0,2]=4
22  B9R0.5  CCOC(=O)CCN=C=O ALBB-003053 [1,1,0,0,0,0|1,0,1]=4
23  B9R0.34  CCOC(=O)CC(C)NC ALBB-004101 [1,1,0,0,0,0|1,0,1]=4
24  B9R0.48  CCNC(=O)CCC(=O)O ALBB-033313 [1,1,0,0,0,0|2,0,0]=4
25  B9R0.48  CCOC(=O)CSC(=N)N ALBB-009285 [1,1,0,0,0,0|2,0,0]=4
26  B9R0.19  CCOC(=O)C(C)(C)C#N ALBB-010178 [1,1,0,0,0,0|1,0,1]=4
27  B9R0.23  CCC(=O)N(C)CC(=O)O ALBB-033255 [1,1,0,0,0,0|2,0,0]=4
28  B9R0.23  COC(=O)C(C)CN(C)C ALBB-004117 [1,1,0,0,0,0|1,0,1]=4
29  B9R0.23  COC(=O)C(C)CN(C)C ALBB-004117 [1,1,0,0,0,0|1,0,1]=4
30  B11R0.57  C=CCC(C(C)=O)C(=O)OCC ALBB-005064 [0,2,0,0,0,0|0,0,0]=2
31  B11R0.57  CCCC(C(C)=O)C(=O)OCC ALBB-021834 [0,2,0,0,0,0|0,0,2]=4
32  B9R1.11  COC(=O)C1CCCC1 ALBB-016165 [1,0,0,1,0,0|0,0,2]=4
33  B11R1.199  CCOC(=O)C1=CC=NN1C ALBB-028884 [0,0,0,1,0,1|2,0,0]=4
34  B11R1.15  CCOC(=O)C1CC(O)CN1 ALBB-005222 [0,1,0,1,0,0|1,0,1]=4
35  B11R1.15  CCOC(=O)C1CCC(=O)N1 ALBB-024582 [0,1,0,1,0,0|1,0,1]=4
36  B11R1.16  CCOC(=O)C1CCCCN1 ALBB-032926 [0,1,0,1,0,0|0,0,2]=4