0  B6R0.1  CCCC(=O)NN c01412 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.1  CCNC(=O)CBr c03466 [0,0,0,0,0,0|4,0,0]=4
2  B5R0.1  CCOC(C)=N e00765 [1,0,0,0,0,0|3,0,0]=4
3  B5R0.1  CCOC(N)=O e00601 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.1  O=C(O)CCCl c08426 [1,0,0,0,0,0|2,0,0]=3
5  B5R0.3  CNC(=O)CBr c03477 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.3  COC(C)CN c04117 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.3  CCOCC(=O)NN c03849 [0,1,0,0,0,0|2,1,0]=4
8  B7R0.3  CNCCC(=O)NC c07614 [0,1,0,0,0,0|2,0,0]=3
9  B7R0.10  COC(C)C(=O)NN c03070 [0,1,0,0,0,0|2,1,0]=4
10  B7R1.3  O=C1CNCCN1 M06540 [0,0,0,1,0,0|2,0,0]=3
11  B7R1.22  NNC(=O)C1CC1 a00386 [0,0,0,1,0,0|3,0,0]=4
12  B4R0.1  CSC(=N)N c07933 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.3  COC(C)C(N)=O c01805 [1,1,0,0,0,0|1,1,0]=4
14  B6R0.3  NC(CO)C(=O)O a05622 [1,1,0,0,0,0|2,0,0]=4
15  B6R0.3  NC(CS)C(=O)O a05621 [1,1,0,0,0,0|2,0,0]=4
16  B6R0.3  NC(CS)C(=O)O a05623 [1,1,0,0,0,0|2,0,0]=4
17  B6R0.3  N[C@@H](CS)C(=O)O e00655 [1,1,0,0,0,0|2,0,0]=4
18  B6R0.4  CNCCC(N)=O c07376 [1,1,0,0,0,0|2,0,0]=4
19  B6R0.4  NCCCC(=O)O e00886 [1,1,0,0,0,0|1,0,0]=3
20  B6R0.9  CCC(CN)OC c04119 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.5  CCCC(=O)NC(C)C c03856 [0,2,0,0,0,0|2,0,0]=4
22  B8R0.5  CCOC(=O)CC(=O)[O-] c02712 [0,2,0,0,0,0|2,0,0]=4
23  B8R0.9  COC(=O)CCC(=O)O a07404 [0,2,0,0,0,0|1,0,1]=4
24  B8R1.5  CC1NCCNC1=O c06641 [0,1,0,1,0,0|2,0,0]=4
25  B8R1.5  CN1CCNCC1=O c01229 [0,1,0,1,0,0|2,0,0]=4