smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#Cc1ccccc1NC(=O)c1cc(=O)c2cccc([N-]S(C)(=O)=O)c2[n-]1	ZINC000095588172	206217785	/nfs/dbraw/zinc/21/77/85/206217785.db2.gz	YTOIJIAKOSLRLX-UHFFFAOYSA-N	-2	3	381.413	2.546	1	30		GFEFHL
C[C@@H](O)[C@@H]1CCc2c3c4c(c5c(c([O-])c4C(=O)C=C3)[C@@H](C)O[C@@H](CC(=O)[O-])C5)n21	ZINC000013367183	560214964	/nfs/dbraw/zinc/21/49/64/560214964.db2.gz	AWMWNWIBOOYESP-BIAAXOCRSA-N	-2	3	397.427	2.902	1	30	in-vitro	GFEFHL
C[C@@H](O)[C@H]1CCc2c3c4c(c5c(c([O-])c4C(=O)C=C3)[C@H](C)O[C@@H](CC(=O)[O-])C5)n21	ZINC000013367188	560214944	/nfs/dbraw/zinc/21/49/44/560214944.db2.gz	AWMWNWIBOOYESP-FBKDDSFISA-N	-2	3	397.427	2.902	1	30	in-vitro	GFEFHL
C[C@@H](O)[C@H]1CCc2c3c4c(c5c(c([O-])c4C(=O)C=C3)[C@@H](C)O[C@@H](CC(=O)[O-])C5)n21	ZINC000013367185	560214968	/nfs/dbraw/zinc/21/49/68/560214968.db2.gz	AWMWNWIBOOYESP-ZHSDAYTOSA-N	-2	3	397.427	2.902	1	30	in-vitro	GFEFHL
CC(C)C(=O)O[C@@H]1c2c3c(c([O-])cc2C(=O)[C@]2(C)O[C@H]12)-c1c(cccc1[O-])C3=O	ZINC000015217225	560229394	/nfs/dbraw/zinc/22/93/94/560229394.db2.gz	UIKYAUSFWRLFDK-UZKOGDIHSA-N	-2	3	394.379	2.903	1	30	in-vitro	GFEFHL
CC(C)C(=O)O[C@H]1c2c3c(c([O-])cc2C(=O)[C@]2(C)O[C@H]12)-c1c(cccc1[O-])C3=O	ZINC000015217224	560229389	/nfs/dbraw/zinc/22/93/89/560229389.db2.gz	UIKYAUSFWRLFDK-DWLFOUALSA-N	-2	3	394.379	2.903	1	30	in-vitro	GFEFHL
C[C@@H](O)[C@@H]1CCc2c3c4c(c5c(c([O-])c4C(=O)C=C3)[C@H](C)O[C@@H](CC(=O)[O-])C5)n21	ZINC000003950806	560191704	/nfs/dbraw/zinc/19/17/04/560191704.db2.gz	AWMWNWIBOOYESP-DEKYYXRVSA-N	-2	3	397.427	2.902	1	30	in-vitro	GFEFHL
CCCCCCCCCCn1cc[n+](CC(P(=O)([O-])[O-])P(=O)([O-])[O-])c1	ZINC000095592753	211281179	/nfs/dbraw/zinc/28/11/79/211281179.db2.gz	GYTSEUQBLYSXFG-UHFFFAOYSA-O	-3	3	397.369	2.598	1	30	in-vitro	GFEFHL
CCCCCCCCCC[S@@](=O)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000095582353	211280621	/nfs/dbraw/zinc/28/06/21/211280621.db2.gz	PKXZBMJKMYELTI-QFIPXVFZSA-N	-4	3	378.364	2.557	1	30		GFEFHL
CCCCCCCCCC[S@](=O)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000095582354	211281385	/nfs/dbraw/zinc/28/13/85/211281385.db2.gz	PKXZBMJKMYELTI-JOCHJYFZSA-N	-4	3	378.364	2.557	1	30		GFEFHL
Cc1ccc(C#Cc2ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)s2)cc1	ZINC000013778438	209163898	/nfs/dbraw/zinc/16/38/98/209163898.db2.gz	MAMDBBMJAYDZQJ-QGZVFWFLSA-N	-2	3	377.487	2.844	1	30		GFEFHL
O=C([O-])CCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN([O-])C3=O	ZINC000071329382	222182402	/nfs/dbraw/zinc/18/24/02/222182402.db2.gz	DBCPRKFXDFQSBY-UHFFFAOYSA-N	-2	3	383.379	2.628	1	30		GFEFHL