smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1	ZINC000015779128	569001657	/nfs/dbraw/zinc/00/16/57/569001657.db2.gz	ILOUKTVOBWQAFX-UHFFFAOYSA-N	1	1	403.486	3.573	10	10		HHCEMO
CN(C)c1ccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1	ZINC000015779128	569001658	/nfs/dbraw/zinc/00/16/58/569001658.db2.gz	ILOUKTVOBWQAFX-UHFFFAOYSA-N	1	1	403.486	3.573	10	10		HHCEMO
COc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3F)C2)c1	ZINC000011910076	558296610	/nfs/dbraw/zinc/29/66/10/558296610.db2.gz	ZMCKTPWQEABINW-GCJKJVERSA-N	1	1	412.505	3.596	10	10		HHCEMO
CCN1CC[NH+](CCCNC(=O)c2ccc(-n3c(C)cc4c3CCCCC4)cc2)CC1	ZINC000020927757	568651622	/nfs/dbraw/zinc/65/16/22/568651622.db2.gz	NNQZHJRSQXXUKJ-UHFFFAOYSA-N	1	1	422.617	3.812	10	10		HHCEMO