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](CN(C)C)OS(C)(=O)=O	ZINC000001730514	289209653	/nfs/dbraw/zinc/20/96/53/289209653.db2.gz	ZTWWKNFNUJZDQF-UWVGGRQHSA-N	0	3	332.444	-1.201	40	30		EAEBHN
C=CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N(C)CCN(C)C)[C@H]1O	ZINC000020463975	212134680	/nfs/dbraw/zinc/13/46/80/212134680.db2.gz	JYDOHZBBRDBDAY-XGFWRYKXSA-N	0	3	328.413	-1.182	40	30	biogenic,in-vitro	EAEBHN
NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000039817543	213242550	/nfs/dbraw/zinc/24/25/50/213242550.db2.gz	MVORZMQFXBLMHM-WDEREUQCSA-N	0	3	340.384	-1.066	40	30	in-man	EAEBHN
NCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000039817543	213242548	/nfs/dbraw/zinc/24/25/48/213242548.db2.gz	MVORZMQFXBLMHM-WDEREUQCSA-N	0	3	340.384	-1.066	40	30	in-man	EAEBHN
CN(C)C[C@@H](OS(C)(=O)=O)[C@H](CN(C)C)OS(C)(=O)=O	ZINC000104053181	289189769	/nfs/dbraw/zinc/18/97/69/289189769.db2.gz	ZTWWKNFNUJZDQF-AOOOYVTPSA-N	0	3	332.444	-1.201	40	30		EAEBHN
CN(C)C[C@@H](OS(C)(=O)=O)[C@@H](CN(C)C)OS(C)(=O)=O	ZINC000104053188	289189576	/nfs/dbraw/zinc/18/95/76/289189576.db2.gz	ZTWWKNFNUJZDQF-NXEZZACHSA-N	0	3	332.444	-1.201	40	30		EAEBHN