0  B8R0.24  O=C(CP(=O)(O)O)NO Z1999520090 [0,0,0,0,0,0|0,0,0]=0
1  B7R0.2  CNC(=O)CC(=O)O Z963467722 [1,0,0,0,0,0|2,0,0]=3
2  B7R0.9  CC(C)(O)CC(=O)O Z982131798 [1,0,0,0,0,0|3,0,0]=4
3  B7R0.9  CP(=O)([O-])CC(=O)[O-] Z2939810747 [1,0,0,0,0,0|1,0,2]=4
4  B7R0.9  CS(=O)(=O)CC(=O)O Z295402410 [1,0,0,0,0,0|2,0,1]=4
5  B7R0.9  NC(=O)CS(=O)(=O)N Z1203582027 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.9  NS(=O)(=O)CC(=O)O Z331472332 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.9  O=C(O)CP(=O)(O)O Z277558864 [1,0,0,0,0,0|0,0,0]=1
8  B6R0.1  CCCC(=O)NO Z59181937 [2,0,0,0,0,0|2,0,0]=4
9  B6R0.1  CNC(=O)CCO Z975909370 [2,0,0,0,0,0|2,0,0]=4
10  B6R0.2  CS(=O)CC(=O)N Z1203581973 [2,0,0,0,0,0|2,0,0]=4
11  B6R0.2  NC(=O)CC(=O)N Z104473780 [2,0,0,0,0,0|2,0,0]=4
12  B6R0.2  NC(=O)CC(=O)O Z963467736 [2,0,0,0,0,0|1,0,0]=3
13  B6R0.2  O=C(O)CC(=O)O Z57965450 [2,0,0,0,0,0|1,0,0]=3
14  B6R0.5  N#CCP(=O)(O)O Z3025383580 [2,0,0,0,0,0|0,0,2]=4
15  B8R0.23  CN(C)C(=O)CC(=O)O Z963467438 [1,1,0,0,0,0|2,0,0]=4
16  B8R0.23  O=C(O)CC(=O)C(=O)O Z271128590 [1,1,0,0,0,0|2,0,0]=4
17  B8R0.27  CC(C(=O)O)S(=O)(=O)O Z1262510815 [1,1,0,0,0,0|1,0,1]=4
18  B8R0.27  CC(O)C(O)P(=O)(O)O Z2050515563 [1,1,0,0,0,0|1,0,1]=4
19  B8R0.27  CP(=O)(C)C(O)C(=O)O Z1262512998 [1,1,0,0,0,0|2,0,0]=4
20  B6R0.3  NNC(=O)C(=O)O Z3068042919 [1,0,0,0,1,0|2,0,0]=4
21  B8R0.9  CNC(=O)CCC(=O)O Z429593572 [1,0,0,0,0,1|2,0,0]=4
22  B8R0.9  CNC(=O)NCC(=O)O Z223126780 [1,0,0,0,0,1|2,0,0]=4