smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)Cn1cc(CCN2CCC[N@@H+](Cc3cnn(C)c3)CC2)nn1	ZINC000159959387	243199816	/nfs/dbraw/zinc/19/98/16/243199816.db2.gz	QYIDFADYTUBIGQ-UHFFFAOYSA-N	1	1	361.450	-0.065	10	70		FBIEMO
COC(=O)Cn1cc(CCN2CCC[N@H+](Cc3cnn(C)c3)CC2)nn1	ZINC000159959387	243199812	/nfs/dbraw/zinc/19/98/12/243199812.db2.gz	QYIDFADYTUBIGQ-UHFFFAOYSA-N	1	1	361.450	-0.065	10	70		FBIEMO
COC(=O)Cn1cc(CC[N@H+]2CCCN(Cc3cnn(C)c3)CC2)nn1	ZINC000159959387	243199804	/nfs/dbraw/zinc/19/98/04/243199804.db2.gz	QYIDFADYTUBIGQ-UHFFFAOYSA-N	1	1	361.450	-0.065	10	70		FBIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1	ZINC000161371135	243201199	/nfs/dbraw/zinc/20/11/99/243201199.db2.gz	LKEGJTOZHXQSAE-MNOVXSKESA-N	1	1	362.434	-0.273	10	70		FBIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)[C@@H](C)C1	ZINC000161371216	243198805	/nfs/dbraw/zinc/19/88/05/243198805.db2.gz	LKEGJTOZHXQSAE-QWRGUYRKSA-N	1	1	362.434	-0.273	10	70		FBIEMO