0  B7R0.6  CC(C)=NNC(N)=O BB12-2973 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.6  CC(C)SCC(=O)O BB12-3365 [0,0,0,0,0,0|1,0,1]=2
2  B6R0.4  C=CCNC(C)C BB12-1319 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.4  CC(C)CN=C=O BB01-8145 [1,0,0,0,0,0|1,0,2]=4
4  B6R0.4  CC(C)SCCO BB53-1392 [1,0,0,0,0,0|1,0,2]=4
5  B6R0.4  CCSCC(=O)O BB12-3264 [1,0,0,0,0,0|1,0,1]=3
6  B6R0.4  CNCCC(=O)O BB12-1452 [1,0,0,0,0,0|1,0,2]=4
7  B8R0.9  CCN(C)CCC(=O)O BB12-3650 [0,1,0,0,0,0|1,0,2]=4
8  B8R0.23  CC(CC(=O)O)N(C)C BB12-1308 [0,1,0,0,0,0|1,0,2]=4
9  B8R0.23  CC(CN(C)C)C(=O)O BB12-1434 [0,1,0,0,0,0|1,0,2]=4
10  B8R0.29  CC(C)(N)CCC(=O)O BB12-1634 [0,1,0,0,0,0|0,0,2]=3
11  B8R1.51  CC1(C)CCC(=O)N1 BB12-1604 [0,0,0,1,0,0|1,0,2]=4
12  B8R1.51  CC1(C)COC(=O)N1 BB12-2312 [0,0,0,1,0,0|2,0,1]=4
13  B6R0.2  CC(N)CC(=O)O BB12-2890 [0,0,0,0,1,0|1,0,1]=3
14  B8R0.28  CN(C)CCCC(=O)O BB01-6266 [0,0,0,0,0,1|1,0,2]=4
15  B7R0.2  CCN(C)CC(=O)O BB12-1321 [1,1,0,0,0,0|1,0,1]=4
16  B7R0.2  C\C(C=O)=C\N(C)C BB12-3546 [1,1,0,0,0,0|1,0,0]=3
17  B7R0.3  CCO\C=C(\C)C=O BB12-3547 [1,1,0,0,0,0|2,0,0]=4
18  B7R0.4  CCCSCC(=O)O BB12-3263 [1,1,0,0,0,0|0,0,2]=4
19  B7R0.4  CCSCCC(=O)O BB12-3270 [1,1,0,0,0,0|0,0,2]=4
20  B7R0.5  CCSC(C)C(=O)O BB12-3261 [1,1,0,0,0,0|1,0,1]=4
21  B7R0.9  CC(C)(C)OC(N)=O BB56-2323 [0,1,0,0,1,0|2,0,0]=4
22  B7R0.16  CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,1,0|1,0,1]=4
23  B9R0.7  CC(C)N(C)CCC(=O)O BB12-3651 [0,1,0,0,0,1|0,0,2]=4
24  B9R1.35  CC(C)C1=NC(Br)=CN1 BB12-3496 [0,0,0,1,0,1|2,0,0]=4
25  B9R1.35  CC1=CNC(C(=O)O)=N1 BB12-3671 [0,0,0,1,0,1|1,0,1]=4
26  B9R1.35  CC1=NC(C(=O)O)=CS1 BB01-2835 [0,0,0,1,0,1|1,0,1]=4
27  B9R1.85  O=C(O)CSCC1CC1 BB12-3262 [0,0,0,1,0,1|0,0,2]=4
28  B9R1.137  CC(=O)CC(=O)C1CC1 BB12-3707 [0,1,0,1,0,0|1,0,1]=4
29  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,0,0,0,2,0|2,0,0]=4