smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NNC1=NC(=O)/C(=C/C(=O)[O-])S1	4807477	169237155	/nfs/dbraw/zinc/23/71/55/169237155.db2.gz	AJUZXGCTOUWVDH-UPHRSURJSA-N	-1	0	187.180	-0.952	50	10		ABCARM
Nc1ccc(-n2nn[n-]c2=O)cc1	19413983	169290364	/nfs/dbraw/zinc/29/03/64/169290364.db2.gz	OKAOEKKGMDHTRG-UHFFFAOYSA-N	-1	0	177.167	-0.050	50	10	in-vitro	ABCARM
Nc1[nH]nc2cc([O-])[nH]c(=O)c12	100165474	169303310	/nfs/dbraw/zinc/30/33/10/169303310.db2.gz	RWHCQACUVWSYNC-UHFFFAOYSA-N	-1	0	166.140	-0.049	50	10		ABCARM
NC1=NC(=O)C(CC(=O)[O-])C(=O)N1	5494321	169305775	/nfs/dbraw/zinc/30/57/75/169305775.db2.gz	BEQZMXAXGOTNAW-UHFFFAOYSA-N	-1	0	185.139	-0.903	50	10		ABCARM
O=C([O-])CN1C(=O)CSC1=S	1081151	169339964	/nfs/dbraw/zinc/33/99/64/169339964.db2.gz	JGRMXPSUZIYDRR-UHFFFAOYSA-N	-1	0	191.233	-0.069	50	10		ABCARM
O=C([O-])C[C@@H]1SC(=S)NC1=O	2379415	171005529	/nfs/dbraw/zinc/00/55/29/171005529.db2.gz	FUQYIQWKYXNCDI-REOHCLBHSA-N	-1	0	191.233	-0.022	50	10		ABCARM
O=C([O-])C[C@H]1SC(=S)NC1=O	33754086	171051702	/nfs/dbraw/zinc/05/17/02/171051702.db2.gz	FUQYIQWKYXNCDI-UWTATZPHSA-N	-1	0	191.233	-0.022	50	10		ABCARM
NC1=NC(=O)C(=CC(=O)[O-])S1	71773297	171108389	/nfs/dbraw/zinc/10/83/89/171108389.db2.gz	FMOFTIUUNFFNLL-UPHRSURJSA-N	-1	0	172.165	-0.457	50	10		ABCARM
Oc1cc(-c2nnn[n-]2)cc(O)c1O	20120490	1424241173	/nfs/dbraw/zinc/24/11/73/1424241173.db2.gz	BKOFIXXJDYWOBK-UHFFFAOYSA-N	-1	0	194.150	-0.017	50	10		ABCARM