smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CSc1ccc2ccccc2c1)c1ccc([O-])cc1	ZINC000007838611	170304358	/nfs/dbraw/zinc/30/43/58/170304358.db2.gz	YXZAXIUZOJLNAA-UHFFFAOYSA-N	-1	1	294.375	4.520	20	0		CJADMM
[O-]c1ccc(/C=C/c2ccc3ccccc3n2)cc1Cl	ZINC000049371742	526340463	/nfs/dbraw/zinc/34/04/63/526340463.db2.gz	HEZGXVSSVICEKJ-VMPITWQZSA-N	-1	1	281.742	4.764	20	0		CJADMM
[O-]c1ccc(/C=C/c2nc3ccccc3s2)cc1Cl	ZINC000049371870	526340187	/nfs/dbraw/zinc/34/01/87/526340187.db2.gz	ZJVDVCXBHNPTSI-SOFGYWHQSA-N	-1	1	287.771	4.826	20	0		CJADMM
CC(C)c1ccc([C@@H](C)NCc2cc(O)cc(F)c2)cc1	ZINC000223098800	333204450	/nfs/dbraw/zinc/20/44/50/333204450.db2.gz	PMLAMLPASHBPER-CYBMUJFWSA-N	-1	1	287.378	4.506	20	0		CJADMM
CC(C)c1ccc([C@H](C)NCc2cc(O)cc(F)c2)cc1	ZINC000223098854	333204482	/nfs/dbraw/zinc/20/44/82/333204482.db2.gz	PMLAMLPASHBPER-ZDUSSCGKSA-N	-1	1	287.378	4.506	20	0		CJADMM
[O-]c1c(-c2nc(C3CCCCC3)no2)ccc2ccccc21	ZINC000315701480	333383252	/nfs/dbraw/zinc/38/32/52/333383252.db2.gz	OYBNEJCRTBAETF-UHFFFAOYSA-N	-1	1	294.354	4.643	20	0		CJADMM
Cc1ccc2cccc(NCc3cccc([O-])c3Cl)c2n1	ZINC000328071656	330308214	/nfs/dbraw/zinc/30/82/14/330308214.db2.gz	ABAVQDMKHDTKQV-UHFFFAOYSA-N	-1	1	298.773	4.514	20	0		CJADMM
[O-]c1cccc(CNc2cccc3ccccc32)c1Cl	ZINC000328231336	333480445	/nfs/dbraw/zinc/48/04/45/333480445.db2.gz	OHULTJJDDIMPBS-UHFFFAOYSA-N	-1	1	283.758	4.811	20	0		CJADMM
CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1[O-]	ZINC000436552805	330679890	/nfs/dbraw/zinc/67/98/90/330679890.db2.gz	BHSVUQOOIJAPKQ-UHFFFAOYSA-N	-1	1	297.398	4.891	20	0		CJADMM
CC[C@@H](C)n1ncc([N-]c2nc3ccccc3o2)c1C1CC1	ZINC000534244307	328041680	/nfs/dbraw/zinc/04/16/80/328041680.db2.gz	CMKBHRJJXOUFQR-LLVKDONJSA-N	-1	1	296.374	4.616	20	0		CJADMM
CC[C@H](C)n1ncc([N-]c2nc3ccccc3o2)c1C1CC1	ZINC000534244308	328041609	/nfs/dbraw/zinc/04/16/09/328041609.db2.gz	CMKBHRJJXOUFQR-NSHDSACASA-N	-1	1	296.374	4.616	20	0		CJADMM
Cc1cc(C)cc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)c1	ZINC000561188780	327372495	/nfs/dbraw/zinc/37/24/95/327372495.db2.gz	KVWGKXPKACGSDT-UHFFFAOYSA-N	-1	1	292.382	4.743	20	0		CJADMM