smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]n(-c2cccc(C(=O)[O-])c2)c(=O)c1C=C1C(C)=[NH+]N(c2cccc(C(=O)[O-])c2)[C@H]1O	ZINC000013915055	556332166	/nfs/dbraw/zinc/33/21/66/556332166.db2.gz	KMFZHXPXAXGWSV-OLROSQPISA-N	-1	2	448.435	2.468	40	0		IEABLM
O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1	ZINC000028632055	568864576	/nfs/dbraw/zinc/86/45/76/568864576.db2.gz	FAMNZFYIOABJTD-UHFFFAOYSA-N	-1	2	439.496	2.443	40	0		IEABLM
Cc1[nH]n(-c2cccc(C(=O)[O-])c2)c(=O)c1C=C1C(C)=[NH+]N(c2cccc(C(=O)[O-])c2)[C@@H]1O	ZINC000013915057	556332255	/nfs/dbraw/zinc/33/22/55/556332255.db2.gz	KMFZHXPXAXGWSV-ZMUHTPIZSA-N	-1	2	448.435	2.468	40	0		IEABLM
C[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C(C)(C)C)ccc3OCC(=O)[O-])CC[C@@H]2O)CC1	ZINC000257201960	568666190	/nfs/dbraw/zinc/66/61/90/568666190.db2.gz	AJUUNWUUDNHIFS-SFTDATJTSA-N	-1	2	433.593	2.020	40	0		IEABLM
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc(O)c2C(=O)NCCNc2cccc[nH+]2)[C@@H]1O	ZINC000257287396	568705646	/nfs/dbraw/zinc/70/56/46/568705646.db2.gz	PPUGYKOSLMNNME-IKEZHLFISA-N	-1	2	439.512	2.221	40	0		IEABLM
O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000016449385	569584051	/nfs/dbraw/zinc/58/40/51/569584051.db2.gz	IAYQKHVCTSVXIV-UHFFFAOYSA-N	-1	2	439.496	2.443	40	0		IEABLM
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])cc2)nc(C)n1	ZINC000002085960	556758956	/nfs/dbraw/zinc/75/89/56/556758956.db2.gz	JWKHEYBKKYDHPM-WXRFYESLSA-N	-1	2	442.497	2.356	40	0		IEABLM
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])cc2)nc(C)n1	ZINC000039345289	557648218	/nfs/dbraw/zinc/64/82/18/557648218.db2.gz	JWKHEYBKKYDHPM-CFGMGRTJSA-N	-1	2	442.497	2.356	40	0		IEABLM