smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(CC)=[NH+][C@H](C)CC(C)(C)[NH2+]C	238221174	572371400	/nfs/dbraw/zinc/37/14/00/572371400.db2.gz	CSAFNNBRCHWYSH-SNVBAGLBSA-N	2	1	198.354	3.024	10	30		AGEEMP
CCC(CC)=[NH+][C@@H](C)CC(C)(C)[NH2+]C	238221140	572374512	/nfs/dbraw/zinc/37/45/12/572374512.db2.gz	CSAFNNBRCHWYSH-JTQLQIEISA-N	2	1	198.354	3.024	10	30		AGEEMP
C/C(CC(C)C)=[NH+]\[C@@H](C)CC(C)(C)[NH3+]	238118145	572934286	/nfs/dbraw/zinc/93/42/86/572934286.db2.gz	UOWGSMDZKRZDDW-IWQAVIMZSA-N	2	1	198.354	3.009	10	30		AGEEMP
C/C(CC(C)C)=[NH+]\[C@H](C)CC(C)(C)[NH3+]	238118169	572936364	/nfs/dbraw/zinc/93/63/64/572936364.db2.gz	UOWGSMDZKRZDDW-ZTMOJVSCSA-N	2	1	198.354	3.009	10	30		AGEEMP
C/C(CC(C)C)=[NH+]/[C@@H](C)CC(C)(C)[NH3+]	308278887	573136234	/nfs/dbraw/zinc/13/62/34/573136234.db2.gz	UOWGSMDZKRZDDW-HKLRHMNMSA-N	2	1	198.354	3.009	10	30		AGEEMP
C/C(CC(C)C)=[NH+]/[C@H](C)CC(C)(C)[NH3+]	308278888	573136244	/nfs/dbraw/zinc/13/62/44/573136244.db2.gz	UOWGSMDZKRZDDW-UXEDPAHQSA-N	2	1	198.354	3.009	10	30		AGEEMP