0  B25R2.511144961  NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O Amb22329923 [0,0,0,0,0,0|0,0,1]=1
1  B25R2.511144961  N[C@@H](C[13c]1[13cH][13c](I)[13c](Oc2cc(I)c(O)c(I)c2)[13c](I)[13cH]1)C(O)=O Amb22735228 [0,0,0,0,0,0|0,0,0]=0
2  B25R2.511144961  N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O Amb22757175 [0,0,0,0,0,0|0,0,0]=0
3  B25R2.511144961  OC(=O)[C@H](Cc1cc(I)c(c(c1)I)O[13c]2[13cH][13c](I)[13c]([13c]([13cH]2)I)O)N Amb17620639 [0,0,0,0,0,0|0,0,0]=0
4  B25R2.511144961  OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc2cc(Br)c(c(c2)Br)O)N Amb10845689 [0,0,0,0,0,0|0,2,0]=2
5  B25R2.511144961  O[13c]1[13c](I)[13cH][13c]([13cH][13c]1I)Oc2c(I)cc(CC(O)C(O)=O)cc2I Amb22056228 [0,0,0,0,0,0|1,0,0]=1
6  B25R2.511144961  Oc1c(I)cc(cc1I)Oc2c(I)cc(CC(O)C(O)=O)cc2I Amb22056227 [0,0,0,0,0,0|1,0,0]=1
7  B25R2.511144961  [O-]C(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc2cc(I)c(c(c2)I)O)N Amb10789415 [0,0,0,0,0,0|0,0,1]=1
8  B24R2.16632171  N[C@@H](C[13c]1[13cH][13c](I)[13c](Oc2ccc(O)c(I)c2)[13c](I)[13cH]1)C(O)=O Amb22735259 [1,0,0,0,0,0|0,0,0]=1
9  B24R2.16632171  N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C([O-])=O Amb22336556 [1,0,0,0,0,0|0,0,1]=2
10  B24R2.16632171  OC(=O)[C@@H](Cc1cc(I)c(c(c1)I)Oc2ccc(c(c2)I)O)N Amb10843726 [1,0,0,0,0,0|0,0,0]=1
11  B24R2.16632171  OC(=O)[C@H](Cc1cc(I)c(c(c1)I)O[13c]2[13cH][13cH][13c]([13c]([13cH]2)I)O)N Amb17621006 [1,0,0,0,0,0|0,0,0]=1
12  B24R2.46814435  N[C@@H](Cc1cc(I)c(cc1)O[13c]2[13cH][13c](I)[13c](O)[13c](I)[13cH]2)C(O)=O Amb22735356 [1,0,0,0,0,0|0,0,0]=1
13  B24R2.46814435  N[C@@H](Cc1cc(I)c(cc1)Oc2cc(I)c(O)c(I)c2)C(O)=O Amb22228955 [1,0,0,0,0,0|0,0,0]=1
14  B24R2.46814435  N[C@H](Cc1cc(I)c(cc1)Oc2cc(I)c(O)c(I)c2)C(O)=O Amb22228951 [1,0,0,0,0,0|0,0,0]=1
15  B24R2.46814435  OC(=O)C(Cc1ccc(c(c1)I)Oc2cc(I)c(c(c2)I)O)N Amb17621005 [1,0,0,0,0,0|0,0,0]=1
16  B26R2.343445371  NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O[Na] Amb20246839 [0,1,0,0,0,0|0,0,0]=1
17  B26R2.2710186375  OC(=O)C(Cc1cc(I)c(c(c1)I)Oc2cc(I)c(c(c2)I)O)(N)C Amb17614208 [0,1,0,0,0,0|0,0,0]=1
18  B23R2.718934  OC(=O)[C@H](Cc1ccc(c(c1)I)Oc2ccc(c(c2)I)O)N Amb15692809 [2,0,0,0,0,0|0,0,0]=2
19  B23R2.11808491  OC(=O)CCc1cc(I)c(c(c1)I)Oc2ccc(c(c2)I)O Amb16192947 [2,0,0,0,0,0|0,0,0]=2
20  B23R2.11856419  N[C@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(O)=O Amb22229080 [2,0,0,0,0,0|0,0,0]=2
21  B23R2.192709754  NC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 Amb22056223 [2,0,0,0,0,0|0,0,1]=3
22  B25R2.1705631  N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(=O)O[Na] Amb22043791 [1,1,0,0,0,0|0,0,0]=2
23  B25R2.1705631  [Na]OC(=O)[C@@H](Cc1cc(I)c(c(c1)I)Oc2ccc(c(c2)I)O)N Amb16227043 [1,1,0,0,0,0|0,0,0]=2