0  B5R0.2  CCCSSC HY-N7436 [1,0,0,0,0,0|3,0,0]=4
1  B5R0.2  [N-]=[N+]=NCCO HY-138461 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.3  CCC(C)C=O HY-W020678 [1,0,0,0,0,0|0,1,1]=3
3  B7R0.2  CCC(C)CC(=O)O HY-W010513 [0,1,0,0,0,0|1,1,1]=4
4  B7R0.2  CCC(C)CC(=O)O HY-W010513R [0,1,0,0,0,0|1,1,1]=4
5  B7R0.2  CCC(C)CC(C)N HY-W015593 [0,1,0,0,0,0|2,0,1]=4
6  B7R0.2  CCC(C)OC(C)=O HY-158759 [0,1,0,0,0,0|1,1,1]=4
7  B7R0.10  [C@H](C)(CC)[C@H](N)CO HY-W015875 [0,1,0,0,0,0|1,1,1]=4
8  B7R1.2  CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,0|1,1,1]=4
9  B7R1.3  CC1CCOCO1 HY-W111914 [0,0,0,1,0,0|1,1,1]=4
10  B4R0.1  CC(C)=NO HY-W008840 [2,0,0,0,0,0|0,1,1]=4
11  B4R0.1  CC(O)CN HY-W015969 [2,0,0,0,0,0|1,1,0]=4
12  B4R0.1  CC(O)CO HY-Y0921 [2,0,0,0,0,0|1,1,0]=4
13  B4R0.1  CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|0,1,0]=3
14  B4R0.1  C[C@@H](N)CO HY-W010646 [2,0,0,0,0,0|1,0,1]=4
15  B4R0.1  C[C@@H](O)CN HY-W002295 [2,0,0,0,0,0|1,1,0]=4
16  B4R0.1  C[C@@H](O)CO HY-Z0031 [2,0,0,0,0,0|1,1,0]=4
17  B6R0.6  [N-]=[N+]=NCCCN HY-151862 [1,1,0,0,0,0|2,0,0]=4
18  B6R0.9  CCN(CC)N=O HY-N7434 [1,1,0,0,0,0|1,1,0]=4