smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](CO)[NH2+]CCN[C@H](C)[C@@H](C)O	29223152	168350479	/nfs/dbraw/zinc/35/04/79/168350479.db2.gz	PGVOELKTVXJLNQ-DJLDLDEBSA-N	1	1	190.287	-0.684	1	0		ABAFMO
C[C@@H](CO)[NH2+]CCN[C@@H](C)[C@H](C)O	29223166	168350859	/nfs/dbraw/zinc/35/08/59/168350859.db2.gz	PGVOELKTVXJLNQ-CIUDSAMLSA-N	1	1	190.287	-0.684	1	0		ABAFMO
C[C@@H](CO)[NH2+]CCN[C@H](C)[C@H](C)O	29223157	168351258	/nfs/dbraw/zinc/35/12/58/168351258.db2.gz	PGVOELKTVXJLNQ-YIZRAAEISA-N	1	1	190.287	-0.684	1	0		ABAFMO
C[C@@H](CO)[NH2+]CCN[C@@H](C)[C@@H](C)O	29223162	168351442	/nfs/dbraw/zinc/35/14/42/168351442.db2.gz	PGVOELKTVXJLNQ-XHNCKOQMSA-N	1	1	190.287	-0.684	1	0		ABAFMO
Cn1nnnc1C1=CCC[N@@H+](C)C1	13739800	171028067	/nfs/dbraw/zinc/02/80/67/171028067.db2.gz	INOQPVRNJBTWPG-UHFFFAOYSA-N	1	1	179.227	-0.071	1	0		ABAFMO
Cn1nnc(C2=CCC[N@@H+](C)C2)n1	13739812	171028176	/nfs/dbraw/zinc/02/81/76/171028176.db2.gz	KDQWNBTXQJNVOX-UHFFFAOYSA-N	1	1	179.227	-0.071	1	0		ABAFMO