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](C(=O)[O-])C(=O)Nc1nnn[n-]1	710008353	1450051153	/nfs/dbraw/zinc/05/11/53/1450051153.db2.gz	SRYLMNLQWVNKDF-REOHCLBHSA-N	-2	1	185.143	-1.141	20	0		AAADML
O=C(Nc1nnn[n-]1)[C@H]1C[C@H]1C(=O)[O-]	709776267	1443331044	/nfs/dbraw/zinc/33/10/44/1443331044.db2.gz	INTOAWWIROYPDM-STHAYSLISA-N	-2	1	197.154	-1.141	20	0		AAADML
O=C([O-])CC(=O)Nc1nnn[n-]1	710007780	1446974224	/nfs/dbraw/zinc/97/42/24/1446974224.db2.gz	GCFVAACFVBPNIY-UHFFFAOYSA-N	-2	1	171.116	-1.387	20	0		AAADML
O=C([O-])[C@H]1C[C@H]1C(=O)Nc1nnn[n-]1	709776262	599854508	/nfs/dbraw/zinc/85/45/08/599854508.db2.gz	INTOAWWIROYPDM-GBXIJSLDSA-N	-2	1	197.154	-1.141	20	0		AAADML
O=C([O-])[C@H]1C[C@H]1C(=O)Nc1nn[n-]n1	709776262	599854510	/nfs/dbraw/zinc/85/45/10/599854510.db2.gz	INTOAWWIROYPDM-GBXIJSLDSA-N	-2	1	197.154	-1.141	20	0		AAADML
O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1nnn[n-]1	709776266	599854697	/nfs/dbraw/zinc/85/46/97/599854697.db2.gz	INTOAWWIROYPDM-HRFVKAFMSA-N	-2	1	197.154	-1.141	20	0		AAADML
O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1nn[n-]n1	709776266	599854699	/nfs/dbraw/zinc/85/46/99/599854699.db2.gz	INTOAWWIROYPDM-HRFVKAFMSA-N	-2	1	197.154	-1.141	20	0		AAADML
O=C1C[P@@](=O)([O-])C[C@H](C(=O)[O-])N1	13556064	169383114	/nfs/dbraw/zinc/38/31/14/169383114.db2.gz	FRIFTMOXVJIIHM-GSVOUGTGSA-N	-2	1	193.095	-1.160	20	0		AAADML
O=C1C[P@@](=O)([O-])C[C@@H](C(=O)[O-])N1	13556061	169383513	/nfs/dbraw/zinc/38/35/13/169383513.db2.gz	FRIFTMOXVJIIHM-VKHMYHEASA-N	-2	1	193.095	-1.160	20	0		AAADML
NCc1nc([O-])c(F)c(=O)[n-]1	157685890	344112019	/nfs/dbraw/zinc/11/20/19/344112019.db2.gz	IASQSRKCIMGSCC-UHFFFAOYSA-N	-2	1	159.120	-1.662	20	0		AAADML
O=C1CN(NC(=O)C(=O)[O-])C(=O)[N-]1	306199264	345087993	/nfs/dbraw/zinc/08/79/93/345087993.db2.gz	ZOOIPMLHWZIETI-UHFFFAOYSA-N	-2	1	187.111	-2.346	20	0		AAADML
O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1nnn[n-]1	649459498	410204049	/nfs/dbraw/zinc/20/40/49/410204049.db2.gz	INTOAWWIROYPDM-PWNYCUMCSA-N	-2	1	197.154	-1.141	20	0		AAADML
O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1nn[n-]n1	649459498	410204051	/nfs/dbraw/zinc/20/40/51/410204051.db2.gz	INTOAWWIROYPDM-PWNYCUMCSA-N	-2	1	197.154	-1.141	20	0		AAADML
C[C@H](C(=O)[O-])C(=O)N(C)c1nnn[n-]1	1588562575	959108988	/nfs/dbraw/zinc/10/89/88/959108988.db2.gz	KTGNIQGBDNYRKK-VKHMYHEASA-N	-2	1	199.170	-1.117	20	0		AAADML
C[C@H](C(=O)[O-])C(=O)N(C)c1nn[n-]n1	1588562575	959108997	/nfs/dbraw/zinc/10/89/97/959108997.db2.gz	KTGNIQGBDNYRKK-VKHMYHEASA-N	-2	1	199.170	-1.117	20	0		AAADML
C[C@@H](C(=O)[O-])C(=O)N(C)c1nnn[n-]1	1588562564	959109636	/nfs/dbraw/zinc/10/96/36/959109636.db2.gz	KTGNIQGBDNYRKK-GSVOUGTGSA-N	-2	1	199.170	-1.117	20	0		AAADML
C[C@@H](C(=O)[O-])C(=O)N(C)c1nn[n-]n1	1588562564	959109642	/nfs/dbraw/zinc/10/96/42/959109642.db2.gz	KTGNIQGBDNYRKK-GSVOUGTGSA-N	-2	1	199.170	-1.117	20	0		AAADML
O=C([O-])c1ncn(Cc2nn[n-]n2)n1	306348931	1424015744	/nfs/dbraw/zinc/01/57/44/1424015744.db2.gz	TZZPFYHWULBUGN-UHFFFAOYSA-N	-2	1	195.142	-1.462	20	0		AAADML
O=C([O-])C(=O)NCc1nnn[n-]1	44976765	1424016518	/nfs/dbraw/zinc/01/65/18/1424016518.db2.gz	ZCKJEJOPIDEFER-UHFFFAOYSA-N	-2	1	171.116	-2.100	20	0		AAADML
O=C([O-])CNC(=O)c1cnncc1[O-]	1574893274	969878717	/nfs/dbraw/zinc/87/87/17/969878717.db2.gz	YVJKUNHZDHTAEE-UHFFFAOYSA-N	-2	1	197.150	-1.003	20	0		AAADML
O=C([O-])CNC(=O)CCc1nn[n-]n1	1574896292	1170686040	/nfs/dbraw/zinc/68/60/40/1170686040.db2.gz	SCZAQLHFZJYYFO-UHFFFAOYSA-N	-2	1	199.170	-1.667	20	0		AAADML
O=C([O-])CC(=O)[N-]OCCO	1601888205	1170776631	/nfs/dbraw/zinc/77/66/31/1170776631.db2.gz	OGKXTCAULCWTCN-UHFFFAOYSA-N	-2	1	163.129	-1.499	20	0		AAADML