Molecule: Methanol
0 C 0.0319
1 O -0.3996
Molecule: Methylamine
0 C -0.0195
1 N -0.3333
Molecule: Acetonitrile
0 C 0.0236
1 C 0.0587
2 N -0.1987
Molecule: Dimethyl_Ether
0 C 0.0351
1 O -0.3879
2 C 0.0351
Molecule: Methanethiol
0 C -0.0215
1 S -0.1828
Molecule: Chloromethane
0 C 0.0108
1 Cl -0.1304
Molecule: Ethane
0 C -0.0683
1 C -0.0683
Molecule: Acetamide
0 C 0.0146
1 C 0.2138
2 O -0.2757
3 N -0.3699
Molecule: Acetic_Acid_prot
0 C 0.0338
1 C 0.2997
2 O -0.2528
3 O -0.4814
Molecule: Acetone
0 C -0.0060
1 C 0.1263
2 O -0.3003
3 C -0.0060
Molecule: Methyl_Acetate
0 C 0.0339
1 C 0.3018
2 O -0.2526
3 O -0.4692
4 C 0.0806
Molecule: Benzene
0 C -0.0623
1 C -0.0623
2 C -0.0623
3 C -0.0623
4 C -0.0623
5 C -0.0623
Molecule: Pyridine
0 C -0.0592
1 C -0.0438
2 C 0.0267
3 N -0.2647
4 C 0.0267
5 C -0.0438
Molecule: Aniline
0 C -0.0392
1 C -0.0602
2 C -0.0621
3 C -0.0602
4 C -0.0392
5 C 0.0313
6 N -0.3987
Molecule: Imidazole
0 C 0.0446
1 C 0.0203
2 N -0.3512
3 C 0.0919
4 N -0.2455
Molecule: Water
0 O -0.4115
Molecule: Acetic_Acid(-)
0 C -0.0250
1 C 0.0383
2 O -0.5505
3 O -0.5505
Molecule: Methylamonium
0 C 0.0634
1 N -0.3600
Molecule: Imidazolium(+)
0 C 0.1264
1 C 0.1264
2 N -0.2503
3 C 0.2388
4 N -0.2503
Molecule: 7-Aminoheptanoic_Acid
0 N -0.3576
1 C 0.0739
2 C -0.0037
3 C -0.0479
4 C -0.0527
5 C -0.0481
6 C -0.0131
7 C 0.0414
8 O -0.5502
9 O -0.5502