0  B9R1.35  CC1=NOC(C(=O)O)C1 BB55-3992 [0,0,0,0,0,0|3,0,1]=4
1  B9R1.35  O=C1CC(C(=O)O)CS1 BB01-0509 [0,0,0,0,0,0|2,0,2]=4
2  B8R1.7  CC(C)C1CCCN1 BB56-0522 [1,0,0,0,0,0|2,0,1]=4
3  B8R1.7  NC(=O)[C@@H]1CCCN1 BB12-3488 [1,0,0,0,0,0|1,0,0]=2
4  B8R0.8  C=CCSC(C)C(=O)O BB12-3266 [0,0,1,0,0,0|2,0,1]=4
5  B8R0.8  CCCC[C@H](N)C(=O)O BB12-2277 [0,0,1,0,0,0|3,0,0]=4
6  B8R0.9  CCN(C)CCC(=O)O BB12-3650 [0,0,1,0,0,0|3,0,0]=4
7  B8R0.9  CCS(=O)CCC(=O)O BB12-3269 [0,0,1,0,0,0|2,0,1]=4
8  B8R0.23  CC(CN(C)C)C(=O)O BB12-1434 [0,0,1,0,0,0|3,0,0]=4
9  B8R0.28  CN(C)CCCC(=O)O BB01-6266 [0,0,1,0,0,0|3,0,0]=4
10  B10R1.13  CC(=O)N1CCC(O)CC1 BB12-3386 [0,0,0,0,0,1|3,0,0]=4
11  B10R1.13  CN1CCC(C(=O)O)CC1 BB12-2769 [0,0,0,0,0,1|3,0,0]=4
12  B10R1.13  CN1CCC(C(=O)O)CC1 BB56-1999 [0,0,0,0,0,1|3,0,0]=4
13  B10R1.113  CN1CCCC(C(=O)O)C1 BB12-2768 [0,0,0,0,0,1|3,0,0]=4
14  B7R0.4  CCCSCC(=O)O BB12-3263 [1,0,1,0,0,0|1,0,0]=3
15  B7R0.4  CCSCCC(=O)O BB12-3270 [1,0,1,0,0,0|2,0,0]=4
16  B7R0.4  NC(=O)CSCCO BB53-1357 [1,0,1,0,0,0|2,0,0]=4
17  B7R0.5  CC(NC=O)C(=O)O BB12-1345 [1,0,1,0,0,0|0,0,2]=4
18  B7R0.5  CCSC(C)C(=O)O BB12-3261 [1,0,1,0,0,0|1,0,0]=3
19  B7R0.5  CNCC(C)C(=O)O BB12-1637 [1,0,1,0,0,0|2,0,0]=4
20  B7R0.6  CC(C)SCC(=O)O BB12-3365 [1,0,1,0,0,0|2,0,0]=4
21  B9R1.11  CNC(=O)C1CCCC1 BB12-1626 [1,1,0,0,0,0|2,0,0]=4
22  B9R1.11  COC(=O)C1CCCC1 BB12-2996 [1,1,0,0,0,0|1,0,0]=3
23  B9R1.11  NNC(=O)C1CCCC1 BB12-2640 [1,1,0,0,0,0|2,0,0]=4
24  B9R1.41  CN1CCCC1C(=O)O BB12-1652 [1,1,0,0,0,0|0,0,0]=2
25  B9R1.41  CN1CSCC1C(=O)O BB12-1635 [1,1,0,0,0,0|1,0,0]=3
26  B9R1.163  CC1(C(=O)O)CCCO1 BB12-1777 [1,1,0,0,0,0|1,0,0]=3
27  B9R1.163  NC1(C(=O)O)CCCC1 BB56-0255 [1,1,0,0,0,0|1,0,0]=3
28  B11R1.23  COC(=O)N1CCCC(O)C1 BB12-1763 [0,1,0,0,0,1|2,0,0]=4
29  B9R1.6  NC(=O)C1CCCOC1 BB12-2057 [0,0,1,1,0,0|2,0,0]=4
30  B9R1.6  O=C(O)C1CCCNC1 BB12-3026 [0,0,1,1,0,0|2,0,0]=4
31  B9R1.59  CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,0,1,1,0,0|2,0,0]=4
32  B9R1.85  O=C(O)CSCC1CC1 BB12-3262 [0,0,1,1,0,0|2,0,0]=4
33  B7R1.18  NC(=O)C1CCC1 BB12-3033 [1,0,0,0,1,0|1,0,0]=3
34  B9R1.13  O=C(O)CN1CCCC1 BB12-2458 [1,0,0,0,0,1|2,0,0]=4
35  B11R1.20  O=C(O)CN1CCC(O)CC1 BB12-3702 [0,0,0,0,0,2|2,0,0]=4
36  B11R1.157  O=C(O)CN1CCCC(O)C1 BB12-1741 [0,0,0,0,0,2|2,0,0]=4