0  B7R0.11  CNCC(C)(C)CO ALBB-010089 [0,0,0,0,0,0|2,0,2]=4
1  B7R0.11  COC(C)(C)CCN ALBB-016800 [0,0,0,0,0,0|2,0,0]=2
2  B6R0.1  CNC(C)CCO ALBB-004088 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.1  CNCC(C)OC ALBB-009408 [1,0,0,0,0,0|0,0,2]=3
4  B6R0.1  COC(C)CCN ALBB-022248 [1,0,0,0,0,0|2,0,0]=3
5  B6R0.5  CC(C)(N)CCO ALBB-020783 [1,0,0,0,0,0|3,0,0]=4
6  B6R0.5  CC(C)(O)CC#N ALBB-018179 [1,0,0,0,0,0|2,0,0]=3
7  B6R0.5  CC(C)(O)CCN ALBB-018180 [1,0,0,0,0,0|2,0,0]=3
8  B6R0.5  CC(C)(O)CNN ALBB-026691 [1,0,0,0,0,0|1,0,1]=3
9  B6R0.5  CNCC(C)(C)C ALBB-019178 [1,0,0,0,0,0|0,0,2]=3
10  B6R0.5  CNCC(C)(C)O ALBB-026587 [1,0,0,0,0,0|0,0,2]=3
11  B6R0.5  COCC(C)(C)N ALBB-013365 [1,0,0,0,0,0|2,0,1]=4
12  B6R0.8  CC(C)(CN)CO ALBB-010190 [1,0,0,0,0,0|2,0,1]=4
13  B6R0.8  CCC(C)(N)CC ALBB-027112 [1,0,0,0,0,0|2,0,1]=4
14  B6R0.8  CCC(C)(O)CN ALBB-032351 [1,0,0,0,0,0|2,0,1]=4
15  B6R0.8  COC(C)(C)CN ALBB-009356 [1,0,0,0,0,0|0,0,1]=2
16  B6R0.8  COC(C)(C)CN ALBB-009356 [1,0,0,0,0,0|0,0,1]=2
17  B8R1.51  CC1(C)CC(=O)CO1 ALBB-030532 [0,0,0,1,0,0|2,0,0]=3
18  B8R1.51  CC1(C)CC(N)CO1 ALBB-027279 [0,0,0,1,0,0|2,0,0]=3
19  B8R1.51  CC1(C)CC(O)CO1 ALBB-030531 [0,0,0,1,0,0|2,0,0]=3
20  B8R1.51  CC1CNC(C)(C)C1 ALBB-026385 [0,0,0,1,0,0|2,0,1]=4
21  B8R1.72  CC1(C)CCCNC1 ALBB-005215 [0,0,0,1,0,0|1,0,2]=4
22  B8R1.72  CC1(C)CCCNC1 ALBB-005215 [0,0,0,1,0,0|1,0,2]=4
23  B8R1.72  CC1(C)CNCCO1 ALBB-011804 [0,0,0,1,0,0|0,0,2]=3
24  B5R0.1  CC(O)CNN ALBB-030485 [2,0,0,0,0,0|1,0,1]=4
25  B5R0.2  COCCNN ALBB-026577 [2,0,0,0,0,0|1,0,1]=4
26  B5R0.2  COCCNN ALBB-026577 [2,0,0,0,0,0|1,0,1]=4
27  B5R0.3  CNC(C)CO ALBB-014691 [2,0,0,0,0,0|2,0,0]=4
28  B5R0.3  COC(C)C#N ALBB-022339 [2,0,0,0,0,0|0,0,2]=4
29  B5R0.3  COC(C)CN ALBB-009407 [2,0,0,0,0,0|0,0,1]=3
30  B5R0.4  CC(C)(O)CBr ALBB-032498 [2,0,0,0,0,0|1,0,0]=3
31  B7R0.8  CCNCC(C)(C)O ALBB-029021 [1,1,0,0,0,0|0,0,2]=4
32  B7R0.14  CC(C)(C)C(O)C#N ALBB-031021 [1,1,0,0,0,0|2,0,0]=4
33  B7R0.14  CC(C)(C)C(O)CN ALBB-031020 [1,1,0,0,0,0|2,0,0]=4
34  B7R0.14  CC(C)(O)C(O)CN ALBB-026682 [1,1,0,0,0,0|2,0,0]=4
35  B7R0.13  CN(C)C(C)(C)CO ALBB-026513 [1,1,0,0,0,0|2,0,0]=4
36  B7R1.3  CC1CNCCO1 ALBB-018624 [1,0,0,1,0,0|0,0,2]=4
37  B7R1.14  CC1(C)CCNC1 ALBB-013349 [1,0,0,1,0,0|0,0,2]=4
38  B7R1.14  CC1(C)CCNC1 ALBB-013349 [1,0,0,1,0,0|0,0,2]=4
39  B9R1.24  CC1(C)OCCC1CN ALBB-030534 [0,1,0,1,0,0|2,0,0]=4
40  B9R1.24  CC1(C)OCCC1CO ALBB-030413 [0,1,0,1,0,0|2,0,0]=4
41  B9R1.10  CC1(C)CCC(N)CO1 ALBB-027712 [0,1,0,1,0,0|1,0,1]=4
42  B9R1.118  CC1(CBr)COCCO1 ALBB-032574 [0,1,0,1,0,0|1,0,1]=4
43  B9R1.118  CC1(CO)COCCO1 ALBB-032052 [0,1,0,1,0,0|1,0,1]=4
44  B9R1.133  CC1(C)CC(C=O)CO1 ALBB-030129 [0,1,0,1,0,0|1,0,1]=4
45  B9R1.133  CC1(C)CC(CN)CO1 ALBB-027280 [0,1,0,1,0,0|1,0,1]=4
46  B9R1.133  CC1(C)CC(CO)CO1 ALBB-030128 [0,1,0,1,0,0|1,0,1]=4
47  B9R1.148  CC1(C)CNCCCO1 ALBB-026938 [0,1,0,1,0,0|0,0,2]=4