smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCN(Cc2cc(OC)c(OC)cc2C)CC1	ZINC000514387052	1059369031	/nfs/dbraw/zinc/36/90/31/1059369031.db2.gz	AOFHJZMCHMHJQF-UHFFFAOYSA-N	0	3	542.750	3.255	20	30		KGEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2	ZINC000514391643	1059403950	/nfs/dbraw/zinc/40/39/50/1059403950.db2.gz	NZMHXDBEDOHYAM-UHFFFAOYSA-N	0	3	500.625	3.094	20	30		KGEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000514391828	1059480090	/nfs/dbraw/zinc/48/00/90/1059480090.db2.gz	RKBYZYZIVZWRMN-UHFFFAOYSA-N	0	3	532.736	3.398	20	30		KGEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC	ZINC000514391873	1059411940	/nfs/dbraw/zinc/41/19/40/1059411940.db2.gz	RXIOIDUHSVKLIF-UHFFFAOYSA-N	0	3	550.751	3.262	20	30		KGEDHN