smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C[C@H](OS(C)(=O)=O)[C@H](C[NH+](C)C)OS(C)(=O)=O	ZINC000001730514	289209650	/nfs/dbraw/zinc/20/96/50/289209650.db2.gz	ZTWWKNFNUJZDQF-UWVGGRQHSA-N	1	1	332.444	-1.201	40	30		EAEBMO
C=CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CC[NH+](C)CC2)[C@H]1O	ZINC000022922198	275747038	/nfs/dbraw/zinc/74/70/38/275747038.db2.gz	GKPSSTPMUOJNRK-XGFWRYKXSA-N	1	1	326.397	-1.428	40	30	biogenic,in-vitro	EAEBMO
CN(C)C[C@@H](OS(C)(=O)=O)[C@@H](C[NH+](C)C)OS(C)(=O)=O	ZINC000104053188	289189574	/nfs/dbraw/zinc/18/95/74/289189574.db2.gz	ZTWWKNFNUJZDQF-NXEZZACHSA-N	1	1	332.444	-1.201	40	30		EAEBMO