smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2c(O)c(c1)C[NH+](CC(=O)[O-])Cc1cc(C)cc(c1O)C[N@H+](CC(=O)[O-])Cc1cc(C)cc(c1O)CN(CC(=O)[O-])C2	ZINC000006002592	561700908	/nfs/dbraw/zinc/70/09/08/561700908.db2.gz	IBZIQNDFGDQRSR-UHFFFAOYSA-N	-1	2	621.687	3.302	1	10		KGCFLM
Cc1cc2c(O)c(c1)C[NH+](CC(=O)[O-])Cc1cc(C)cc(c1O)C[N@@H+](CC(=O)[O-])Cc1cc(C)cc(c1O)CN(CC(=O)[O-])C2	ZINC000006002592	561700907	/nfs/dbraw/zinc/70/09/07/561700907.db2.gz	IBZIQNDFGDQRSR-UHFFFAOYSA-N	-1	2	621.687	3.302	1	10		KGCFLM
CC(=O)[N-]S(=O)(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(C(F)(F)F)c4)C3=O)o2)c1	ZINC000044031773	562651584	/nfs/dbraw/zinc/65/15/84/562651584.db2.gz	HOEKRPXXVUVDPT-UNOMPAQXSA-N	-1	2	519.457	3.252	1	10		KGCFLM
CCNS(=O)(=O)c1cccc(-n2[nH]c(C)c(NN=C3C(=O)C=C(S(=O)(=O)[O-])c4ccccc43)c2=O)c1	ZINC000169319688	562856281	/nfs/dbraw/zinc/85/62/81/562856281.db2.gz	MFRNLCRCUIJYCZ-OCOZRVBESA-N	-1	2	531.572	3.293	1	10		KGCFLM
Cc1[nH]n(-c2ccc(S(C)(=O)=O)cc2)c(=O)c1NN=C1C(=O)C=C(S(=O)(=O)[O-])c2ccccc21	ZINC000169330539	562858741	/nfs/dbraw/zinc/85/87/41/562858741.db2.gz	CUWTVLJPSALHRA-GHVJWSGMSA-N	-1	2	502.530	3.398	1	10		KGCFLM
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCCCCCCC(=O)[O-])C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O1	ZINC000169360728	562864171	/nfs/dbraw/zinc/86/41/71/562864171.db2.gz	XYPLCBUPQOQPKW-AJDHDMIJSA-N	-1	2	823.767	3.477	1	10		KGCFLM
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCCCCCC(=O)[O-])C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O1	ZINC000169367196	562864552	/nfs/dbraw/zinc/86/45/52/562864552.db2.gz	WZSFDBVFVGRAGY-ZEJNKJDYSA-N	-1	2	809.740	3.087	1	10		KGCFLM