smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[S@@](=O)(=S)CCNC(=O)[C@H](N)CCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12	ZINC000033696505	553968834	/nfs/dbraw/zinc/96/88/34/553968834.db2.gz	MJTZNNRYZKZYKX-WQZZZZSLSA-N	0	3	509.720	-0.250	10	0	in-vitro	KBAEHN
CO[S@@](=O)(=S)CCNC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12	ZINC000033696508	553968852	/nfs/dbraw/zinc/96/88/52/553968852.db2.gz	MJTZNNRYZKZYKX-IWNHTNOWSA-N	0	3	509.720	-0.250	10	0	in-vitro	KBAEHN
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)[O-])C(C)C)C(C)C	ZINC000040721717	554288725	/nfs/dbraw/zinc/28/87/25/554288725.db2.gz	IFEIEPCGWXXMMT-PXQJOHHUSA-N	0	3	616.830	-0.288	10	0		KBAEHN
CO[S@](=O)(=S)CCNC(=O)[C@H](N)CCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12	ZINC000100419630	554385470	/nfs/dbraw/zinc/38/54/70/554385470.db2.gz	MJTZNNRYZKZYKX-QJIWWUFOSA-N	0	3	509.720	-0.250	10	0	in-vitro	KBAEHN
CO[S@](=O)(=S)CCNC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12	ZINC000100419633	554385688	/nfs/dbraw/zinc/38/56/88/554385688.db2.gz	MJTZNNRYZKZYKX-DFSSLMQLSA-N	0	3	509.720	-0.250	10	0	in-vitro	KBAEHN