smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1ccc([C@H](N[C@@H](C)c2cncs2)C(C)C)cc1	ZINC000160414300	332792334	/nfs/dbraw/zinc/79/23/34/332792334.db2.gz	AZRQJBFHIXHYKM-KBXCAEBGSA-N	0	3	302.487	5.314	20	70		DKIDHN
CC(C)c1ccc([C@@H](N[C@@H](C)c2cncs2)C(C)C)cc1	ZINC000160414423	332792319	/nfs/dbraw/zinc/79/23/19/332792319.db2.gz	AZRQJBFHIXHYKM-KSSFIOAISA-N	0	3	302.487	5.314	20	70		DKIDHN
CC(C)c1ccc([C@@H](N[C@H](C)c2cncs2)C(C)C)cc1	ZINC000160414645	332792251	/nfs/dbraw/zinc/79/22/51/332792251.db2.gz	AZRQJBFHIXHYKM-KDOFPFPSSA-N	0	3	302.487	5.314	20	70		DKIDHN
CSc1ccc([C@H](C)NCc2cc(F)cc(Cl)c2)cc1	ZINC000160853412	333672161	/nfs/dbraw/zinc/67/21/61/333672161.db2.gz	FIYXMGQDYRLCDO-NSHDSACASA-N	0	3	309.837	5.052	20	70		DKIDHN
c1cc2c(s1)CCC[C@@H]2NCc1cnc(C2CCCC2)s1	ZINC000160972866	333731083	/nfs/dbraw/zinc/73/10/83/333731083.db2.gz	YIJWQIZGBVTFRM-HNNXBMFYSA-N	0	3	318.511	5.029	20	70		DKIDHN
Cc1nc2c(s1)[C@@H](N[C@H](CC(C)C)c1cccs1)CCC2	ZINC000161382054	337583596	/nfs/dbraw/zinc/58/35/96/337583596.db2.gz	FCODLIUWQJXXSG-LSDHHAIUSA-N	0	3	320.527	5.267	20	70		DKIDHN
CCc1ccc(CNC(c2cccs2)c2cccs2)s1	ZINC000217816659	337319176	/nfs/dbraw/zinc/31/91/76/337319176.db2.gz	AJKMFZDYGNIMNL-UHFFFAOYSA-N	0	3	319.520	5.313	20	70		DKIDHN
C[C@H](NCc1cccc2cc[nH]c21)c1ccc(Cl)c(Cl)c1	ZINC000218065605	333983763	/nfs/dbraw/zinc/98/37/63/333983763.db2.gz	DQEHZIOXMXZACV-NSHDSACASA-N	0	3	319.235	5.326	20	70		DKIDHN