smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)C(=CNCC[NH+]2CCOCC2)C(=O)N(C)C1=S	ZINC000020025283	182180176	/nfs/dbraw/zinc/18/01/76/182180176.db2.gz	ZQLKSGRBTDFIOC-UHFFFAOYSA-N	1	2	312.395	-0.993	50	10		DBCALO
CCN1C(=O)C(=CNCC[NH+]2CCOCC2)C(=O)NC1=S	ZINC000019995566	182175469	/nfs/dbraw/zinc/17/54/69/182175469.db2.gz	KQLQHYGCWFEWJY-MDZDMXLPSA-N	1	2	312.395	-0.945	50	10		DBCALO
Cc1cc(C)[nH+]c(NNC=C2C(=O)N(C)C(=O)N(C)C2=O)n1	ZINC000008491513	382660662	/nfs/dbraw/zinc/66/06/62/382660662.db2.gz	BBPBGYRFCUUKON-UHFFFAOYSA-N	1	2	304.310	-0.056	50	10		DBCALO
CCCCN1C(=O)NC(=O)C(=CNN2CC[NH+](C)CC2)C1=O	ZINC000020288906	182203076	/nfs/dbraw/zinc/20/30/76/182203076.db2.gz	ITELGGRFLUILPW-ZHACJKMWSA-N	1	2	309.370	-0.295	50	10		DBCALO
CCCCN1C(=O)NC(=O)C(=CNCC[NH+]2CCOCC2)C1=O	ZINC000100792733	379839091	/nfs/dbraw/zinc/83/90/91/379839091.db2.gz	WCABBVMPVWSIQK-VAWYXSNFSA-N	1	2	324.381	-0.329	50	10		DBCALO
CN1C(=O)C(=CNCCCn2cc[nH+]c2)C(=O)N(C)C1=S	ZINC000006553947	181354091	/nfs/dbraw/zinc/35/40/91/181354091.db2.gz	MQXRGSTYGSQGTL-UHFFFAOYSA-N	1	2	307.379	-0.038	50	10		DBCALO
CCCCN1C(=O)NC(=O)C(=CNCC[NH+]2CCOCC2)C1=O	ZINC000019363189	182118699	/nfs/dbraw/zinc/11/86/99/182118699.db2.gz	WCABBVMPVWSIQK-QXMHVHEDSA-N	1	2	324.381	-0.329	50	10		DBCALO
O=C1NC(=S)N(C2CC2)C(=O)C1=CNCC[NH+]1CCOCC1	ZINC000020330777	182208520	/nfs/dbraw/zinc/20/85/20/182208520.db2.gz	DSALUWLYJHWBLY-PKNBQFBNSA-N	1	2	324.406	-0.802	50	10		DBCALO