smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)c2c1cccc2NC=C1C(=O)NC(=O)NC1=O	ZINC000008514777	382660894	/nfs/dbraw/zinc/66/08/94/382660894.db2.gz	RWCOLTHQQJQXSX-UHFFFAOYSA-N	0	2	300.230	-0.768	50	10		DBCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNNCCO)C2=O)cc1	ZINC000006922879	380659006	/nfs/dbraw/zinc/65/90/06/380659006.db2.gz	SOKMCZYECWZAQX-DHZHZOJOSA-N	0	2	304.306	-0.247	50	10		DBCALN
CC1(C)OC(=O)C(=CN[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C(=O)O1	ZINC000100751463	374468512	/nfs/dbraw/zinc/46/85/12/374468512.db2.gz	NQVOUYKJEYHYNQ-VIFPVBQESA-N	0	2	309.278	-0.285	50	10		DBCALN
CC1(C)OC(=O)C(=CN[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C(=O)O1	ZINC000100751463	374468518	/nfs/dbraw/zinc/46/85/18/374468518.db2.gz	NQVOUYKJEYHYNQ-VIFPVBQESA-N	0	2	309.278	-0.285	50	10		DBCALN
Cc1ccc(S(=O)(=O)NNC=C2C(=O)NC(=O)NC2=O)cc1	ZINC000006585463	181358031	/nfs/dbraw/zinc/35/80/31/181358031.db2.gz	CYEXPFMZMZIBJB-UHFFFAOYSA-N	0	2	324.318	-0.972	50	10		DBCALN
CC1(C)OC(=O)C(=CN[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C(=O)O1	ZINC000100751465	374468079	/nfs/dbraw/zinc/46/80/79/374468079.db2.gz	NQVOUYKJEYHYNQ-SECBINFHSA-N	0	2	309.278	-0.285	50	10		DBCALN
CC1(C)OC(=O)C(=CN[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C(=O)O1	ZINC000100751465	374468086	/nfs/dbraw/zinc/46/80/86/374468086.db2.gz	NQVOUYKJEYHYNQ-SECBINFHSA-N	0	2	309.278	-0.285	50	10		DBCALN
CCc1ccc(N2C(=O)NC(=O)C(=CNNCCO)C2=O)cc1	ZINC000009108659	382679540	/nfs/dbraw/zinc/67/95/40/382679540.db2.gz	WQPDWRPUIOOWKG-FMIVXFBMSA-N	0	2	318.333	-0.198	50	10		DBCALN
COc1ccc(N2C(=O)NC(=O)C(=CNNCCO)C2=O)cc1	ZINC000017196302	374383324	/nfs/dbraw/zinc/38/33/24/374383324.db2.gz	GVJVODKVWRNWCW-DHZHZOJOSA-N	0	2	320.305	-0.547	50	10		DBCALN