smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(OC[C@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@@H]2OC(=S)O[C@H]12)c1ccccc1	ZINC000002048900	557300029	/nfs/dbraw/zinc/30/00/29/557300029.db2.gz	XSTDSIXDZMFPQR-XNIJJKJLSA-N	-1	3	414.399	0.943	10	0		HCAEHM
CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C)C(C)C	ZINC000004899568	569255703	/nfs/dbraw/zinc/25/57/03/569255703.db2.gz	DISYUNFKZRKPAZ-VGWMRTNUSA-N	-1	3	414.547	0.477	10	0		HCAEHM
CSCC[C@@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000004899745	568941409	/nfs/dbraw/zinc/94/14/09/568941409.db2.gz	VWWGEKCAPBMIFE-WOPDTQHZSA-N	-1	3	411.615	0.627	10	0		HCAEHM
CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000004909304	568944461	/nfs/dbraw/zinc/94/44/61/568944461.db2.gz	DJHXYJDANYMMNY-CQSZACIVSA-N	-1	3	420.491	0.973	10	0		HCAEHM
CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000004909311	568944443	/nfs/dbraw/zinc/94/44/43/568944443.db2.gz	DJHXYJDANYMMNY-AWEZNQCLSA-N	-1	3	420.491	0.973	10	0		HCAEHM
O=c1c(-c2ccc([O-])cc2)coc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12	ZINC000012501593	560212528	/nfs/dbraw/zinc/21/25/28/560212528.db2.gz	KYQZWONCHDNPDP-DARKYYSBSA-N	-1	3	416.382	0.344	10	0	in-vitro	HCAEHM
O=c1c(-c2ccc([O-])cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12	ZINC000012501595	560212500	/nfs/dbraw/zinc/21/25/00/560212500.db2.gz	KYQZWONCHDNPDP-BVJIBDCISA-N	-1	3	416.382	0.344	10	0	in-vitro	HCAEHM
COc1cc([O-])cc(/C=C/c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)c1	ZINC000031160316	291178533	/nfs/dbraw/zinc/17/85/33/291178533.db2.gz	IIISUZGWBIPYEJ-DXKBKAGUSA-N	-1	3	404.415	0.750	10	0	biogenic	HCAEHM
CCOC[C@H](O)CN(CCOC)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1	ZINC000036206916	569109551	/nfs/dbraw/zinc/10/95/51/569109551.db2.gz	GJRGICGTRYLWRN-GFCCVEGCSA-N	-1	3	413.496	0.925	10	0		HCAEHM
CCOC[C@@H](O)CN(CCOC)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1	ZINC000036206917	569109754	/nfs/dbraw/zinc/10/97/54/569109754.db2.gz	GJRGICGTRYLWRN-LBPRGKRZSA-N	-1	3	413.496	0.925	10	0		HCAEHM
CCOC(=O)c1sc2[n-]c(CN(CCOC)C[C@H](O)COC)nc(=O)c2c1C	ZINC000036207188	569109764	/nfs/dbraw/zinc/10/97/64/569109764.db2.gz	ZXYKEKYIXSYIHE-LBPRGKRZSA-N	-1	3	413.496	0.925	10	0		HCAEHM
CCOC(=O)c1sc2[n-]c(CN(CCOC)C[C@@H](O)COC)nc(=O)c2c1C	ZINC000036207189	569109599	/nfs/dbraw/zinc/10/95/99/569109599.db2.gz	ZXYKEKYIXSYIHE-GFCCVEGCSA-N	-1	3	413.496	0.925	10	0		HCAEHM
CC(=O)OC[C@H]1O[C@@H](n2cc(Br)c(=O)[n-]c2=O)[C@H](F)[C@@H]1OC(C)=O	ZINC000095740590	560870539	/nfs/dbraw/zinc/87/05/39/560870539.db2.gz	GXBDBWHTVDEDMG-DNRKLUKYSA-N	-1	3	409.164	0.029	10	0		HCAEHM
N[C@H](Cn1cnc(I)c1I)C(=O)[O-]	ZINC000307422612	558868820	/nfs/dbraw/zinc/86/88/20/558868820.db2.gz	NAICLQUYOFHFBY-GSVOUGTGSA-N	-1	3	406.949	0.504	10	0		HCAEHM
N[C@@H](Cn1cnc(I)c1I)C(=O)[O-]	ZINC000307422616	558868881	/nfs/dbraw/zinc/86/88/81/558868881.db2.gz	NAICLQUYOFHFBY-VKHMYHEASA-N	-1	3	406.949	0.504	10	0		HCAEHM