smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1cc(C(=O)[O-])nc2c1-c1[nH]c(C(=O)[O-])cc1C(=O)C2=O	ZINC001158014450	1069300515	/nfs/dbraw/zinc/30/05/15/1069300515.db2.gz	LUGXPAKJIWOULS-GFCCVEGCSA-N	-1	2	470.394	-0.171	20	10		JBCDLM
CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cc(C(=O)[O-])nc2c1-c1[nH]c(C(=O)[O-])cc1C(=O)C2=O	ZINC001158014457	1069300634	/nfs/dbraw/zinc/30/06/34/1069300634.db2.gz	LUGXPAKJIWOULS-LBPRGKRZSA-N	-1	2	470.394	-0.171	20	10		JBCDLM
C[C@H]1[C@H](NC(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C(=O)N1S(=O)(=O)[O-]	ZINC001185552054	1068796596	/nfs/dbraw/zinc/79/65/96/1068796596.db2.gz	AYDSQLZOZAZWPK-ANYMCVJYSA-N	-1	2	454.369	-0.902	20	10		JBCDLM
C[C@H]1[C@H](NC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C(=O)N1S(=O)(=O)[O-]	ZINC001185552055	1068796709	/nfs/dbraw/zinc/79/67/09/1068796709.db2.gz	AYDSQLZOZAZWPK-XOGFGSHOSA-N	-1	2	454.369	-0.902	20	10		JBCDLM
O=C([O-])c1cc2c([nH]1)-c1c(C(=O)NCCN3CC[NH2+]CC3=O)cc(C(=O)[O-])nc1C(=O)C2=O	ZINC001220876804	1069572994	/nfs/dbraw/zinc/57/29/94/1069572994.db2.gz	OTBFTLWDHFJHEE-UHFFFAOYSA-N	-1	2	455.383	-0.986	20	10		JBCDLM