smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1cc(C(=O)Nc2c([O-])c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](O)[C@H]4O)c(Cl)c3oc2=O)ccc1[O-]	ZINC000004654781	560199218	/nfs/dbraw/zinc/19/92/18/560199218.db2.gz	PVBGAGFRLSUWAK-CXTNQITHSA-N	-2	3	575.998	3.215	10	0	in-vitro	KGAEHL
CC(=O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@H](CC[C@@H](C)[C@]23Cc2c(c4c(cc2[O-])C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])C4)O3)C1(C)C	ZINC000038139727	291776732	/nfs/dbraw/zinc/77/67/32/291776732.db2.gz	LJNMHPFLAKKPEX-WBCNMDLZSA-N	-3	3	573.639	3.115	10	0		KGAEHL
CC(=O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23Cc2c(c4c(cc2[O-])C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])C4)O3)C1(C)C	ZINC000038139728	554261129	/nfs/dbraw/zinc/26/11/29/554261129.db2.gz	LJNMHPFLAKKPEX-OJILUNQKSA-N	-3	3	573.639	3.115	10	0		KGAEHL
CC(=O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@H](CC[C@@H](C)[C@@]23Cc2c(c4c(cc2[O-])C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])C4)O3)C1(C)C	ZINC000038139729	291776700	/nfs/dbraw/zinc/77/67/00/291776700.db2.gz	LJNMHPFLAKKPEX-OHEWWEMLSA-N	-3	3	573.639	3.115	10	0		KGAEHL
CC(=O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@@H](CC[C@@H](C)[C@@]23Cc2c(c4c(cc2[O-])C(=O)N([C@@H](CCC(=O)[O-])C(=O)[O-])C4)O3)C1(C)C	ZINC000038139730	554261157	/nfs/dbraw/zinc/26/11/57/554261157.db2.gz	LJNMHPFLAKKPEX-IBFQIQNRSA-N	-3	3	573.639	3.115	10	0		KGAEHL
O=C([O-])[C@@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000077272852	553657267	/nfs/dbraw/zinc/65/72/67/553657267.db2.gz	WIRGFGHUACTNCM-ISJGIBHGSA-N	-2	3	539.629	3.203	10	0	in-vitro	KGAEHL