smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(Cc1ccccc1)c1ccc(C=[NH+]Nc2ccc(C)c(Cl)c2)cc1	ZINC000005609593	521374558	/nfs/dbraw/zinc/37/45/58/521374558.db2.gz	XVPFIZRCBBFIHA-PCLIKHOPSA-N	1	1	377.919	6.121	10	30		GKEEMO
CCCCCCCCCCCCNCC[NH2+]CCCCCCCCCCCC	ZINC000100694909	520009148	/nfs/dbraw/zinc/00/91/48/520009148.db2.gz	ALZARSJEJMWPOM-UHFFFAOYSA-N	1	1	396.748	8.007	10	30		GKEEMO
CC(C)n1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)NC3CCCCC3)C[N@@H+](C)[C@@H]1C2	ZINC000083261402	222312041	/nfs/dbraw/zinc/31/20/41/222312041.db2.gz	KEMOOQHMCGCZKH-JMUQELJHSA-N	1	1	393.575	5.471	10	30	in-man	GKEEMO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](CCOC)Cc2ccccc2)o1	ZINC000036157276	518697007	/nfs/dbraw/zinc/69/70/07/518697007.db2.gz	XHWTWVUAPQCOHL-UHFFFAOYSA-N	1	1	383.532	5.048	10	30		GKEEMO
C=CCCC(O)(CCC=C)c1ccc(C[N@H+](CCOC)Cc2ccccc2)o1	ZINC000036157276	518697013	/nfs/dbraw/zinc/69/70/13/518697013.db2.gz	XHWTWVUAPQCOHL-UHFFFAOYSA-N	1	1	383.532	5.048	10	30		GKEEMO
C=CCC(O)(CC=C)c1ccc(C[N@H+](CCC)Cc2ccc(OC)c(OC)c2)o1	ZINC000036156213	570553533	/nfs/dbraw/zinc/55/35/33/570553533.db2.gz	KXDUUJBLEXLXIM-UHFFFAOYSA-N	1	1	399.531	5.049	10	30		GKEEMO