smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c2ccccc12	ZINC000011613988	558264568	/nfs/dbraw/zinc/26/45/68/558264568.db2.gz	XDANCDKHLHNBDF-UHFFFAOYSA-N	-2	1	413.495	4.908	40	0		HJABML
C[C@H]1CCc2c(sc3nc(-c4ccc(-c5cccc(C(=O)[O-])c5)o4)[n-]c(=O)c23)C1	ZINC000041076807	524438276	/nfs/dbraw/zinc/43/82/76/524438276.db2.gz	FZWUSULSNNVZNY-NSHDSACASA-N	-2	1	406.463	4.735	40	0		HJABML
Cc1sc2nc(-c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)[n-]c(=O)c2c1C	ZINC000005408934	569328554	/nfs/dbraw/zinc/32/85/54/569328554.db2.gz	LQUPDOKEKXDLRE-UHFFFAOYSA-N	-2	1	400.843	4.880	40	0		HJABML
C[C@@H]1CCc2c(sc3nc(-c4ccc(-c5cccc(C(=O)[O-])c5)o4)[n-]c(=O)c23)C1	ZINC000041076806	524725037	/nfs/dbraw/zinc/72/50/37/524725037.db2.gz	FZWUSULSNNVZNY-LLVKDONJSA-N	-2	1	406.463	4.735	40	0		HJABML
O=C([O-])c1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2oc1-c1ccccc1	ZINC000011615811	559114939	/nfs/dbraw/zinc/11/49/39/559114939.db2.gz	MDUWITYDVIUDDV-UHFFFAOYSA-N	-2	1	411.410	4.738	40	0		HJABML
O=C([O-])c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2Cl)o1	ZINC000226352928	559273468	/nfs/dbraw/zinc/27/34/68/559273468.db2.gz	YBMOUIJNWIDSAI-UHFFFAOYSA-N	-2	1	412.250	4.752	40	0		HJABML
O=C([O-])c1ccc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)o1	ZINC000226353335	559273630	/nfs/dbraw/zinc/27/36/30/559273630.db2.gz	JBZPKZLSYCNZJI-UHFFFAOYSA-N	-2	1	412.250	4.752	40	0		HJABML
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(-c4ccccc4)c(C(=O)[O-])c3c2)cc1	ZINC000035686173	569050434	/nfs/dbraw/zinc/05/04/34/569050434.db2.gz	XXUXSBCYKKXTOC-UHFFFAOYSA-N	-2	1	407.447	4.907	40	0		HJABML