0  B30R3.119077625  O=C(NCCCc1ccccc1)C2CCN2C(=O)CCCCc3ccccc3 LN00223863_AK0074_SB0460 [1,0,0,1,0,0|1,0,0]=3
1  B30R3.119077625  O=C(NCCCc1ccccc1)[C@@H]2CCN2C(=O)CCCCc3ccccc3 LN00010329_AK0074_SB0460 [1,0,0,1,0,0|1,0,0]=3
2  B30R3.119077625  O=C(NCCCc1ccccc1)[C@H]2CCN2C(=O)CCCCc3ccccc3 LN00170742_AK0074_SB0460 [1,0,0,1,0,0|1,0,0]=3
3  B30R3.119077625  O=C(NCCCc1cccnc1)C2CCN2C(=O)CCCCc3ccccc3 LN00223863_AK2339_SB0460 [1,0,0,1,0,0|2,0,0]=4
4  B30R3.119077625  O=C(NCCCc1cccnc1)[C@@H]2CCN2C(=O)CCCCc3ccccc3 LN00010329_AK2339_SB0460 [1,0,0,1,0,0|2,0,0]=4
5  B30R3.119077625  O=C(NCCCc1cccnc1)[C@H]2CCN2C(=O)CCCCc3ccccc3 LN00170742_AK2339_SB0460 [1,0,0,1,0,0|2,0,0]=4
6  B30R3.119077625  O=C(NCCCc1ccncc1)C2CCN2C(=O)CCCCc3ccccc3 LN00223863_AK1251_SB0460 [1,0,0,1,0,0|2,0,0]=4
7  B30R3.119077625  O=C(NCCCc1ccncc1)[C@@H]2CCN2C(=O)CCCCc3ccccc3 LN00010329_AK1251_SB0460 [1,0,0,1,0,0|2,0,0]=4
8  B30R3.119077625  O=C(NCCCc1ccncc1)[C@H]2CCN2C(=O)CCCCc3ccccc3 LN00170742_AK1251_SB0460 [1,0,0,1,0,0|2,0,0]=4
9  B30R3.119077625  O=C(NCCOc1ccccc1)C2CCN2C(=O)CCCCc3ccccc3 LN00223863_AK0103_SB0460 [1,0,0,1,0,0|2,0,0]=4
10  B30R3.119077625  O=C(NCCOc1ccccc1)[C@@H]2CCN2C(=O)CCCCc3ccccc3 LN00010329_AK0103_SB0460 [1,0,0,1,0,0|2,0,0]=4
11  B30R3.119077625  O=C(NCCOc1ccccc1)[C@H]2CCN2C(=O)CCCCc3ccccc3 LN00170742_AK0103_SB0460 [1,0,0,1,0,0|2,0,0]=4
12  B32R3.360518592  C[C@@H]1C[C@H](N(C1)C(=O)CCCCc2ccccc2)C(=O)NCCCc3ccccc3 LN00001965_AK0074_SB0460 [0,0,0,1,0,1|1,0,0]=3
13  B32R3.360518592  C[C@@H]1C[C@H](N(C1)C(=O)CCCCc2ccccc2)C(=O)NCCCc3cccnc3 LN00001965_AK2339_SB0460 [0,0,0,1,0,1|2,0,0]=4
14  B32R3.360518592  C[C@@H]1C[C@H](N(C1)C(=O)CCCCc2ccccc2)C(=O)NCCCc3ccncc3 LN00001965_AK1251_SB0460 [0,0,0,1,0,1|2,0,0]=4
15  B32R3.360518592  C[C@@H]1C[C@H](N(C1)C(=O)CCCCc2ccccc2)C(=O)NCCOc3ccccc3 LN00001965_AK0103_SB0460 [0,0,0,1,0,1|2,0,0]=4
16  B32R3.360518592  C[C@H]1C[C@H](N(C1)C(=O)CCCCc2ccccc2)C(=O)NCCCc3ccccc3 LN00001753_AK0074_SB0460 [0,0,0,1,0,1|1,0,0]=3
17  B32R3.360518592  C[C@H]1C[C@H](N(C1)C(=O)CCCCc2ccccc2)C(=O)NCCCc3cccnc3 LN00001753_AK2339_SB0460 [0,0,0,1,0,1|2,0,0]=4
18  B32R3.360518592  C[C@H]1C[C@H](N(C1)C(=O)CCCCc2ccccc2)C(=O)NCCCc3ccncc3 LN00001753_AK1251_SB0460 [0,0,0,1,0,1|2,0,0]=4
19  B32R3.360518592  C[C@H]1C[C@H](N(C1)C(=O)CCCCc2ccccc2)C(=O)NCCOc3ccccc3 LN00001753_AK0103_SB0460 [0,0,0,1,0,1|2,0,0]=4
20  B32R3.360518592  O=C(NCCCc1ccccc1)[C@@H]2C[C@@H](CN2C(=O)CCCCc3ccccc3)F LN00001388_AK0074_SB0460 [0,0,0,1,0,1|2,0,0]=4
21  B32R3.360518592  O=C(NCCCc1ccccc1)[C@@H]2C[C@@H](CN2C(=O)CCCCc3ccccc3)O LN00144963_AK0074_SB0460 [0,0,0,1,0,1|2,0,0]=4
22  B32R3.360518592  O=C(NCCCc1ccccc1)[C@@H]2C[C@H](CN2C(=O)CCCCc3ccccc3)F LN00002261_AK0074_SB0460 [0,0,0,1,0,1|2,0,0]=4
23  B32R3.360518592  O=C(NCCCc1ccccc1)[C@@H]2C[C@H](CN2C(=O)CCCCc3ccccc3)O LN00009383_AK0074_SB0460 [0,0,0,1,0,1|2,0,0]=4
24  B32R3.360518592  O=C(NCCCc1ccccc1)[C@H]2C[C@@H](CN2C(=O)CCCCc3ccccc3)F LN00340045_AK0074_SB0460 [0,0,0,1,0,1|2,0,0]=4
25  B32R3.360518592  O=C(NCCCc1ccccc1)[C@H]2C[C@H](CN2C(=O)CCCCc3ccccc3)O LN00144769_AK0074_SB0460 [0,0,0,1,0,1|2,0,0]=4
26  B32R3.375608786  O=C(NCCCc1ccccc1)[C@@H]2[C@@H](CCN2C(=O)CCCCc3ccccc3)O LN01264161_AK0074_SB0460 [0,1,0,1,0,0|2,0,0]=4