smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C[C@@H](NC(=O)NNC(=O)[O-])C[N@H+]1C1CC1	ZINC000825794970	604008074	/nfs/dbraw/zinc/00/80/74/604008074.db2.gz	SGQFAGQSTSPYDS-RNFRBKRXSA-N	0	1	242.279	0.093	20	50		BCGDMN
O=C([O-])NNC(=O)[C@H]1CCC[N@H+]1C1CCCC1	ZINC000834251611	605751974	/nfs/dbraw/zinc/75/19/74/605751974.db2.gz	ZTBPIAKVSVGNDP-SECBINFHSA-N	0	1	241.291	0.692	20	50		BCGDMN
CCC[N@@H+](CC)CCNC(=O)NNC(=O)[O-]	ZINC000826907915	604048707	/nfs/dbraw/zinc/04/87/07/604048707.db2.gz	WHWYJVFEYYTPFU-UHFFFAOYSA-N	0	1	232.284	0.200	20	50		BCGDMN
C[C@@H]1C[C@H](NC(=O)NNC(=O)[O-])C[N@H+]1C1CC1	ZINC000825794972	604007815	/nfs/dbraw/zinc/00/78/15/604007815.db2.gz	SGQFAGQSTSPYDS-RQJHMYQMSA-N	0	1	242.279	0.093	20	50		BCGDMN
CC1CC[NH+](CC(=O)NNC(=O)[O-])CC1	ZINC000825945531	604824933	/nfs/dbraw/zinc/82/49/33/604824933.db2.gz	XLFDDKZVHWYMCA-UHFFFAOYSA-N	0	1	215.253	0.017	20	50		BCGDMN
C[C@H]1C[C@H](NC(=O)NNC(=O)[O-])C[N@H+]1C1CC1	ZINC000825794967	604007386	/nfs/dbraw/zinc/00/73/86/604007386.db2.gz	SGQFAGQSTSPYDS-BQBZGAKWSA-N	0	1	242.279	0.093	20	50		BCGDMN
O=C([O-])NNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1	ZINC000834251612	605751556	/nfs/dbraw/zinc/75/15/56/605751556.db2.gz	ZTBPIAKVSVGNDP-VIFPVBQESA-N	0	1	241.291	0.692	20	50		BCGDMN
CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)C[NH+](C)C	ZINC000833801893	605624968	/nfs/dbraw/zinc/62/49/68/605624968.db2.gz	NFQXHIXGMKZYKJ-SSDOTTSWSA-N	0	1	244.295	0.086	20	50		BCGDMN
CC(C[C@H](C)NC(=O)[O-])=NNC(=O)C[NH+](C)C	ZINC000833801894	605625101	/nfs/dbraw/zinc/62/51/01/605625101.db2.gz	NFQXHIXGMKZYKJ-ZETCQYMHSA-N	0	1	244.295	0.086	20	50		BCGDMN
C[C@H]1C[C@@H](NC(=O)NNC(=O)[O-])C[N@H+]1C1CC1	ZINC000825794969	604008255	/nfs/dbraw/zinc/00/82/55/604008255.db2.gz	SGQFAGQSTSPYDS-NKWVEPMBSA-N	0	1	242.279	0.093	20	50		BCGDMN
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NNC(=O)[O-]	ZINC000825873538	603627348	/nfs/dbraw/zinc/62/73/48/603627348.db2.gz	URLFUGPHBXMESM-KNVOCYPGSA-N	0	1	215.253	0.158	20	50		BCGDMN