smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(C(=O)[O-])c(N=Nc2ccccc2)c(=O)[n-]1	ZINC000018268559	356471935	/nfs/dbraw/zinc/47/19/35/356471935.db2.gz	DJBAMDNSHMNVMG-FOCLMDBBSA-N	-2	1	259.225	1.466	40	10	in-vitro	CDCBML
O=C1[N-]C(=S)S/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000113830590	366455088	/nfs/dbraw/zinc/45/50/88/366455088.db2.gz	NDFXOTKZSWBOPV-QPJJXVBHSA-N	-2	1	282.302	1.789	40	10		CDCBML
Nc1nc(C(=O)[O-])c(N=Nc2ccccc2)c(=O)[n-]1	ZINC000007996217	170312736	/nfs/dbraw/zinc/31/27/36/170312736.db2.gz	DJBAMDNSHMNVMG-NXVVXOECSA-N	-2	1	259.225	1.466	40	10	in-vitro	CDCBML
O=C([O-])c1ccccc1/C=C1/C(=O)[N-]C(=S)NC1=O	ZINC000018996655	304267200	/nfs/dbraw/zinc/26/72/00/304267200.db2.gz	WHZCXTOAZVYXJV-UHFFFAOYSA-N	-2	1	276.273	1.139	40	10		CDCBML
O=C([O-])c1ccccc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000018996655	304267202	/nfs/dbraw/zinc/26/72/02/304267202.db2.gz	WHZCXTOAZVYXJV-UHFFFAOYSA-N	-2	1	276.273	1.139	40	10		CDCBML
O=C([O-])c1ccccc1/C=C1\C(=O)[N-]C(=S)NC1=O	ZINC000018996655	304267199	/nfs/dbraw/zinc/26/71/99/304267199.db2.gz	WHZCXTOAZVYXJV-UHFFFAOYSA-N	-2	1	276.273	1.139	40	10		CDCBML
O=C([O-])CCSN=Nc1nc2c([n-]1)nc[nH]c2=O	ZINC000008615297	170342826	/nfs/dbraw/zinc/34/28/26/170342826.db2.gz	SNBFIIAFNLYJFB-YPKPFQOOSA-N	-2	1	268.258	1.265	40	10		CDCBML
O=C([O-])c1ccccc1NC=C1SC(=S)[N-]C1=O	ZINC000584906294	342111848	/nfs/dbraw/zinc/11/18/48/342111848.db2.gz	VRHWHIYRLAXTGK-YVMONPNESA-N	-2	1	280.330	1.786	40	10		CDCBML
O=C([O-])c1cccc(NC=C2SC(=S)[N-]C2=O)c1	ZINC000618255022	364033073	/nfs/dbraw/zinc/03/30/73/364033073.db2.gz	MXJLHEJFPZJACW-YVMONPNESA-N	-2	1	280.330	1.786	40	10		CDCBML