smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@](C#N)(CCCN2CCN(c3ccccc3)CC2)C(C)C)cc1OC	ZINC000038559774	569363472	/nfs/dbraw/zinc/36/34/72/569363472.db2.gz	XKJATRBWMHVNPU-SANMLTNESA-N	0	3	421.585	4.724	10	30		HJEEHN
CC[NH+](CC)CCn1c2ccccc2nc1/N=C/c1cc(Br)ccc1[O-]	ZINC000005408367	557651750	/nfs/dbraw/zinc/65/17/50/557651750.db2.gz	OBFVSCJGOGOFRG-HYARGMPZSA-N	0	3	415.335	4.597	10	30		HJEEHN
COc1ccc([C@@](C#N)(CCCN2CCN(c3ccccc3)CC2)C(C)C)cc1OC	ZINC000038559773	569363479	/nfs/dbraw/zinc/36/34/79/569363479.db2.gz	XKJATRBWMHVNPU-AREMUKBSSA-N	0	3	421.585	4.724	10	30		HJEEHN