0  B6R0.3  CCC(=O)C(=O)[O-] BIK8008 [0,0,0,0,0,0|1,0,2]=3
1  B6R0.3  CCN(C)C(=O)Cl BIB6299 [0,0,0,0,0,0|2,0,1]=3
2  B6R0.3  N[C@@H](CO)C(=O)O BIS0718 [0,0,0,0,0,0|2,0,2]=4
3  B6R0.3  N[C@@H](CS)C(=O)O BIC0706 [0,0,0,0,0,0|2,0,2]=4
4  B6R0.3  N[C@@H](CS)C(=O)O BIC0707 [0,0,0,0,0,0|2,0,2]=4
5  B6R0.3  N[C@@H](CS)C(=O)O BIC0709 [0,0,0,0,0,0|2,0,2]=4
6  B6R0.3  [C@@H](N)(CO)C(=O)O BIS2001 [0,0,0,0,0,0|2,0,2]=4
7  B5R0.1  CNCC(=O)O BIS0907 [1,0,0,0,0,0|1,0,1]=3
8  B5R0.5  CC(=O)C(=O)[O-] BIB6270 [1,0,0,0,0,0|1,0,1]=3
9  B5R0.5  CC(=O)C([13CH3])=O BID0431 [1,0,0,0,0,0|2,0,0]=3
10  B5R0.5  CC(=O)N(C)C BIA3145 [1,0,0,0,0,0|2,0,0]=3
11  B5R0.5  CC(N)C(=O)O BIA0868 [1,0,0,0,0,0|1,0,1]=3
12  B5R0.5  C[C@@H](N)C(=O)O BIA0863 [1,0,0,0,0,0|1,0,1]=3
13  B5R0.5  C[C@H](N)C(=O)O BIA0703 [1,0,0,0,0,0|1,0,1]=3
14  B7R0.5  N[C@@H](CCS)C(=O)O BIB6065 [0,1,0,0,0,0|1,0,2]=4
15  B7R0.16  CC(C)[C@H](N)C(=O)O BIV0722 [0,1,0,0,0,0|1,0,2]=4
16  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O BIT0719 [0,1,0,0,0,0|1,0,2]=4
17  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O BIT0724 [0,1,0,0,0,0|1,0,2]=4
18  B7R0.16  C[C@H](O)[C@@H](N)C(=O)O BIT0801 [0,1,0,0,0,0|1,0,2]=4
19  B7R0.16  C[C@H](O)[C@H](N)C(=O)O BIT0901 [0,1,0,0,0,0|1,0,2]=4
20  B7R1.4  N[C@H]1CCOC1=O BIH4006 [0,0,0,1,0,0|1,0,2]=4
21  B7R1.15  O=C1C=C([O-])C1=O BIM1004 [0,0,0,1,0,0|3,0,0]=4
22  B7R1.19  NC1(C(=O)O)CC1 BIA1373 [0,0,0,1,0,0|1,0,2]=4
23  B4R0.1  NCC(=O)O BIG0503 [2,0,0,0,0,0|1,0,1]=4
24  B4R0.1  NCC(=O)O BIG0709 [2,0,0,0,0,0|1,0,1]=4
25  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O BII0711 [0,1,0,0,0,1|0,0,2]=4
26  B8R0.23  O=C(O)CC(=O)C(=O)O BIO0513 [0,1,0,0,0,1|2,0,0]=4
27  B8R1.7  O=C(O)[C@@H]1CCCN1 BIP0717 [0,1,0,1,0,0|0,0,2]=4
28  B8R1.7  O=C(O)[C@H]1CCCN1 BIA0718 [0,1,0,1,0,0|0,0,2]=4