0  B13R1.45  CC(C)NNC(=O)c1ccncc1 T0821 [1,0,0,0,0,0|3,0,0]=4
1  B13R1.45  CC(C)NNC(=O)c1ccncc1 T20085 [1,0,0,0,0,0|3,0,0]=4
2  B13R1.674  OCCOC(=O)c1ccccc1O T13709 [1,0,0,0,0,0|2,0,0]=3
3  B15R1.8019  CC(C)CCOC(=O)c1ccccc1O T32202 [0,0,0,0,0,1|1,0,0]=2
4  B12R1.308  CCOC(=O)c1ccccc1O TN1625 [2,0,0,0,0,0|1,0,0]=3
5  B12R1.308  NCCC(=O)c1ccccc1N T32431 [2,0,0,0,0,0|1,0,0]=3
6  B14R1.678  CC(C)COC(=O)c1ccc(N)cc1 T20336 [1,1,0,0,0,0|0,0,0]=2
7  B14R1.678  CC(C)COC(=O)c1ccc(O)cc1 T5670 [1,1,0,0,0,0|0,0,0]=2
8  B16R1.4547  CC(C)COC(=O)c1ccccc1C(O)=O T13778 [0,2,0,0,0,0|1,0,0]=3
9  B14R2.792  O=C(CNC1CC1)c2ccccc2 T33004 [1,0,0,1,0,0|2,0,0]=4
10  B14R2.2  CN(C)Cc1c[nH]c2ccccc12 T6519 [0,0,0,1,1,0|2,0,0]=4
11  B14R2.28480  CC1CC(=O)c2c(C)cccc2O1 TN5677 [0,0,0,1,1,0|2,0,0]=4
12  B14R2.28480  C[C@@H]1Cc2cccc(O)c2C(=O)O1 TMA0343 [0,0,0,1,1,0|1,0,0]=3
13  B14R2.28480  C[C@H]1Cc2cccc(O)c2C(=O)O1 TN4516 [0,0,0,1,1,0|1,0,0]=3
14  B16R2.14  C[C@@H](CO)CCc1c[nH]c2ccccc12 TN4737 [0,1,0,1,0,0|2,0,0]=4
15  B12R1.107  CC(=O)CC(=O)c1ccccc1 T20345 [1,0,0,0,1,0|1,0,1]=4
16  B12R1.107  CC(C)CC(=O)c1ccccc1 T20363 [1,0,0,0,1,0|0,0,0]=2
17  B12R1.107  CC(C)OC(=O)c1ccccc1 T32225 [1,0,0,0,1,0|0,0,0]=2