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](OP(=O)([O-])[O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002584030	557734059	/nfs/dbraw/zinc/73/40/59/557734059.db2.gz	OKIKUSCYAJQLRR-DIFFPNOSSA-N	-3	0	421.342	2.476	10	0		HEAERL
COCCNC(=O)c1ccc(Cn2c(=O)c3ccc(C(=O)[O-])cc3[n-]c2=S)cc1	ZINC000020644068	568638862	/nfs/dbraw/zinc/63/88/62/568638862.db2.gz	FCQHLSUEMWFTOG-UHFFFAOYSA-N	-2	0	413.455	2.182	10	0		HEAERL
CN1C(C(=O)Nc2ncc(C(=O)[O-])s2)=C([O-])c2sc(Cl)cc2S1(=O)=O	ZINC000065740019	569393341	/nfs/dbraw/zinc/39/33/41/569393341.db2.gz	XOETXHYETDLBFQ-UHFFFAOYSA-N	-2	0	421.865	2.056	10	0	in-vitro	HEAERL
O=C([O-])c1ccccc1C(=O)OCCOCCOC(=O)c1ccccc1C(=O)[O-]	ZINC000002149479	559274888	/nfs/dbraw/zinc/27/48/88/559274888.db2.gz	IGAGCCZDUSWYGQ-UHFFFAOYSA-N	-2	0	402.355	2.113	10	0		HEAERL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCOCC2)c1	ZINC000033254062	558922360	/nfs/dbraw/zinc/92/23/60/558922360.db2.gz	QJSDPCIAWVQUGZ-UHFFFAOYSA-N	-2	0	422.459	2.039	10	0		HEAERL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCCC2)c1	ZINC000064843886	569107737	/nfs/dbraw/zinc/10/77/37/569107737.db2.gz	PQORSUWHDWYEIG-UHFFFAOYSA-N	-2	0	407.448	2.198	10	0		HEAERL
O=C(COc1cccc(P(=O)([O-])[O-])c1)N(C[C@H]1CCCO1)C[C@@H]1CC=CCC1	ZINC000005750033	557672931	/nfs/dbraw/zinc/67/29/31/557672931.db2.gz	KOGGZYIDYWJHOD-SJLPKXTDSA-N	-2	0	409.419	2.232	10	0		HEAERL
O=C(COc1cccc(P(=O)([O-])[O-])c1)N(C[C@@H]1CCCO1)C[C@@H]1CC=CCC1	ZINC000005750031	557672973	/nfs/dbraw/zinc/67/29/73/557672973.db2.gz	KOGGZYIDYWJHOD-AEFFLSMTSA-N	-2	0	409.419	2.232	10	0		HEAERL
O=C(COc1cccc(P(=O)([O-])[O-])c1)N(C[C@@H]1CCCO1)C[C@H]1CC=CCC1	ZINC000005750028	557672881	/nfs/dbraw/zinc/67/28/81/557672881.db2.gz	KOGGZYIDYWJHOD-WMZOPIPTSA-N	-2	0	409.419	2.232	10	0		HEAERL
O=C([O-])CCN1C/C(=C\c2ccc(/C=N\c3ccc(C(=O)[O-])cc3)cc2)C(=O)C1=O	ZINC000048533057	569358326	/nfs/dbraw/zinc/35/83/26/569358326.db2.gz	JLOJIFZXMVKPCZ-KHGLGAQFSA-N	-2	0	406.394	2.405	10	0		HEAERL
C[C@H]([NH2+][C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000011679222	560211391	/nfs/dbraw/zinc/21/13/91/560211391.db2.gz	FLSLEGPOVLMJMN-CWFSZBLJSA-N	-2	0	410.470	2.089	10	0	in-vitro	HEAERL
O=C([O-])c1ccc(OCCCOc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000003010227	557440915	/nfs/dbraw/zinc/44/09/15/557440915.db2.gz	KFOYUIMFOSFPLK-UHFFFAOYSA-N	-4	0	404.327	2.327	10	0		HEAERL
O=C(COc1cccc(P(=O)([O-])[O-])c1)N(C[C@H]1CCCO1)C[C@H]1CC=CCC1	ZINC000005750029	557672901	/nfs/dbraw/zinc/67/29/01/557672901.db2.gz	KOGGZYIDYWJHOD-FUHWJXTLSA-N	-2	0	409.419	2.232	10	0		HEAERL