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(N[O-])C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(C2CC2)CC1	ZINC000001494141	561676472	/nfs/dbraw/zinc/67/64/72/561676472.db2.gz	NBRBWZJMBITNBC-UHFFFAOYSA-N	-1	3	500.495	3.654	10	30		KHEEHM
[O-]c1c(I)cc(/C=N/c2ccc(N3CCNCC3)cc2)cc1I	ZINC000008398825	552999799	/nfs/dbraw/zinc/99/97/99/552999799.db2.gz	WJFBCONSAHYRGH-SRZZPIQSSA-N	-1	3	533.151	3.762	10	30		KHEEHM
O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(c3ccc(OC(F)(F)F)cc3)C([O-])=C2[C@H](c2ccccn2)N1	ZINC000100393492	554368005	/nfs/dbraw/zinc/36/80/05/554368005.db2.gz	FYOYVFZYPSNUBX-ZJOUEHCJSA-N	-1	3	519.435	3.764	10	30		KHEEHM
O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(c3ccc(OC(F)(F)F)cc3)C([O-])=C2[C@H](c2ccccn2)N1	ZINC000100393497	554367957	/nfs/dbraw/zinc/36/79/57/554367957.db2.gz	FYOYVFZYPSNUBX-ZVDOUQERSA-N	-1	3	519.435	3.764	10	30		KHEEHM
O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(c3ccc(OC(F)(F)F)cc3)C([O-])=C2[C@H](c2ccccn2)N1	ZINC000100393501	554367973	/nfs/dbraw/zinc/36/79/73/554367973.db2.gz	FYOYVFZYPSNUBX-DYXWJJEUSA-N	-1	3	519.435	3.764	10	30		KHEEHM
O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(c3ccc(OC(F)(F)F)cc3)C([O-])=C2[C@H](c2ccccn2)N1	ZINC000100393506	554367928	/nfs/dbraw/zinc/36/79/28/554367928.db2.gz	FYOYVFZYPSNUBX-SBHAEUEKSA-N	-1	3	519.435	3.764	10	30		KHEEHM