smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccc(Cl)c3[O-])c2)CC1	ZINC001472316523	1068991041	/nfs/dbraw/zinc/99/10/41/1068991041.db2.gz	UXUSGKATLWXVNG-UHFFFAOYSA-N	-1	1	451.932	1.828	20	10		JDCDMM
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC001470752276	1068806757	/nfs/dbraw/zinc/80/67/57/1068806757.db2.gz	HRCVFGYYAORVDZ-YOEHRIQHSA-N	-1	1	476.521	1.662	20	10		JDCDMM
C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC001477545885	1069832629	/nfs/dbraw/zinc/83/26/29/1069832629.db2.gz	DKBFJHCCERCTTL-HFTRVMKXSA-N	-1	1	469.508	1.987	20	10		JDCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)c1	ZINC001468392933	1068267586	/nfs/dbraw/zinc/26/75/86/1068267586.db2.gz	SWIDYTMUTGZOMQ-UHFFFAOYSA-N	-1	1	454.526	1.969	20	10		JDCDMM
C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC001477545886	1069832568	/nfs/dbraw/zinc/83/25/68/1069832568.db2.gz	DKBFJHCCERCTTL-KYJSFNMBSA-N	-1	1	469.508	1.987	20	10		JDCDMM
O=C(NCc1cccc(Cl)c1[O-])NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1	ZINC001478779445	1070050794	/nfs/dbraw/zinc/05/07/94/1070050794.db2.gz	AXXMEXXRAGQVOT-UHFFFAOYSA-N	-1	1	453.904	1.689	20	10		JDCDMM