smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c2c(cc3c1[C@H](c1c(O)n(C)c(=O)n(C)c1=O)C1(CC3)C(=O)N(C)C(=O)N(C)C1=O)OCO2	ZINC000002104256	551762677	/nfs/dbraw/zinc/76/26/77/551762677.db2.gz	KSURCRMUPGPGSM-CQSZACIVSA-N	0	2	500.464	-0.358	50	0	biogenic	KBAALN
COc1c2c(cc3c1[C@@H](c1c(O)n(C)c(=O)n(C)c1=O)C1(CC3)C(=O)N(C)C(=O)N(C)C1=O)OCO2	ZINC000002104258	551762646	/nfs/dbraw/zinc/76/26/46/551762646.db2.gz	KSURCRMUPGPGSM-AWEZNQCLSA-N	0	2	500.464	-0.358	50	0	biogenic	KBAALN
CNS(=O)(=O)c1cc(NS(C)(=O)=O)ccc1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1S(=O)(=O)N(C)C	ZINC000102219792	554898630	/nfs/dbraw/zinc/89/86/30/554898630.db2.gz	JTFNJEKSRCOATF-UHFFFAOYSA-N	0	2	604.732	-0.579	50	0		KBAALN
CC(=O)OC[C@H]1OC[C@@](OC(C)=O)(n2cnc3c(c2=O)N=C[C@H]3[C@@]2(OC(C)=O)CO[C@@H](COC(C)=O)[C@H]2OC(C)=O)[C@H]1OC(C)=O	ZINC000150668358	571528752	/nfs/dbraw/zinc/52/87/52/571528752.db2.gz	OGSRTYDKAWSEBQ-FTZRJIDQSA-N	0	2	651.578	-0.652	50	0		KBAALN
CC(=O)OC[C@H]1OC[C@@](OC(C)=O)(n2cnc3c(c2=O)N=C[C@H]3[C@@]2(OC(C)=O)CO[C@@H](COC(C)=O)[C@H]2OC(C)=O)[C@@H]1OC(C)=O	ZINC000245240109	572213503	/nfs/dbraw/zinc/21/35/03/572213503.db2.gz	OGSRTYDKAWSEBQ-AGUVVWBRSA-N	0	2	651.578	-0.652	50	0		KBAALN
CC(=O)OC[C@H]1OC[C@@](OC(C)=O)(n2cnc3c(c2=O)N=C[C@H]3[C@@]2(OC(C)=O)CO[C@@H](COC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OC(C)=O	ZINC000245240111	572213548	/nfs/dbraw/zinc/21/35/48/572213548.db2.gz	OGSRTYDKAWSEBQ-SXAJPOPOSA-N	0	2	651.578	-0.652	50	0		KBAALN
CC(=O)OC[C@H]1OC[C@@](OC(C)=O)(n2cnc3c(c2=O)N=C[C@H]3[C@@]2(OC(C)=O)CO[C@@H](COC(C)=O)[C@@H]2OC(C)=O)[C@H]1OC(C)=O	ZINC000245240112	572213864	/nfs/dbraw/zinc/21/38/64/572213864.db2.gz	OGSRTYDKAWSEBQ-YNAUGSIJSA-N	0	2	651.578	-0.652	50	0		KBAALN