smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc(OS(=O)(=O)[O-])cc(OC)c1C(=O)c1c(O)cc(C)cc1OC	ZINC000225458812	291322872	/nfs/dbraw/zinc/32/28/72/291322872.db2.gz	AZPWNQCGEFYGNO-UHFFFAOYSA-N	-1	1	426.399	1.917	10	0		IDAEMM
COCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000021712752	523919781	/nfs/dbraw/zinc/91/97/81/523919781.db2.gz	SMGQNBOHFLQGPX-LJQANCHMSA-N	-1	1	431.514	1.855	10	0		IDAEMM
COCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000021712749	523912062	/nfs/dbraw/zinc/91/20/62/523912062.db2.gz	SMGQNBOHFLQGPX-IBGZPJMESA-N	-1	1	431.514	1.855	10	0		IDAEMM
Nc1nc(N)c2cc(NCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2[nH+]1	ZINC000017106148	563021306	/nfs/dbraw/zinc/02/13/06/563021306.db2.gz	SSPKJOYJIAOUSU-INIZCTEOSA-N	-1	1	438.444	1.454	10	0		IDAEMM
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2[nH+]1	ZINC000001607421	562923080	/nfs/dbraw/zinc/92/30/80/562923080.db2.gz	IOLLERXPKZGYRA-INIZCTEOSA-N	-1	1	438.444	1.454	10	0		IDAEMM
CC(=O)N1CCN(CC[C@H]2CN(C(=O)COc3ccccc3)CC[C@H]2CC(=O)[O-])CC1	ZINC000020463230	519585668	/nfs/dbraw/zinc/58/56/68/519585668.db2.gz	GAPWGLJPVCZXPM-PMACEKPBSA-N	-1	1	431.533	1.559	10	0		IDAEMM
CC[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1cc(C)nn1CC)C2	ZINC000011998222	556384792	/nfs/dbraw/zinc/38/47/92/556384792.db2.gz	LNBKVFCJVOFWIM-UHFFFAOYSA-N	-1	1	440.547	1.556	10	0		IDAEMM
Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CC(=O)[O-])CC(=O)[O-])cc3)ccc2[nH+]1	ZINC000001868264	562925155	/nfs/dbraw/zinc/92/51/55/562925155.db2.gz	GRAKKCMHZHURMW-UHFFFAOYSA-N	-1	1	438.444	1.454	10	0		IDAEMM
COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)ccc1-n1cnnn1	ZINC000001351130	562921378	/nfs/dbraw/zinc/92/13/78/562921378.db2.gz	XCFQVUWOEHILRR-UHFFFAOYSA-N	-1	1	428.474	1.708	10	0		IDAEMM