smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccc(OCC(=O)[O-])c3)C(=O)[O-])n2)c1	ZINC000408632113	569983488	/nfs/dbraw/zinc/98/34/88/569983488.db2.gz	HJTDTRGDAPUEFJ-IDUWFGFVSA-N	-2	1	457.464	3.170	40	0		JGABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1Cl	ZINC000022512852	525085127	/nfs/dbraw/zinc/08/51/27/525085127.db2.gz	WJFPVPPNYJCTEM-UHFFFAOYSA-N	-2	1	482.971	3.357	40	0		JGABML
Cc1n[nH]c(SC(=Cc2cc(Br)c([O-])c(I)c2)C(=O)[O-])n1	ZINC000409196024	570163584	/nfs/dbraw/zinc/16/35/84/570163584.db2.gz	YGXDYLPAPWMMQP-WTKPLQERSA-N	-2	1	482.097	3.404	40	0		JGABML
Cc1ccc(C(=O)N[C@@H](c2nnc(-c3cc(-c4ccc(C)cc4O)[nH]n3)o2)P(=O)([O-])[O-])cc1	ZINC000041154260	526198568	/nfs/dbraw/zinc/19/85/68/526198568.db2.gz	JYDVGPMRSVIVOR-OAQYLSRUSA-N	-2	1	469.394	3.055	40	0		JGABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1Cl	ZINC000020050439	555619665	/nfs/dbraw/zinc/61/96/65/555619665.db2.gz	MTNFAUQQDPYQQB-UHFFFAOYSA-N	-2	1	468.944	3.049	40	0		JGABML
CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1	ZINC000022518460	526053998	/nfs/dbraw/zinc/05/39/98/526053998.db2.gz	KOEGZQCSROYZEL-UHFFFAOYSA-N	-2	1	450.567	3.109	40	0		JGABML
Cc1ccc(C(=O)N[C@H](c2nnc(-c3cc(-c4ccc(C)cc4O)[nH]n3)o2)P(=O)([O-])[O-])cc1	ZINC000041154263	526211232	/nfs/dbraw/zinc/21/12/32/526211232.db2.gz	JYDVGPMRSVIVOR-NRFANRHFSA-N	-2	1	469.394	3.055	40	0		JGABML
Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)ccc1N1CCCC1=O	ZINC000020110708	555646841	/nfs/dbraw/zinc/64/68/41/555646841.db2.gz	PDLXMRKOKPGIQK-UHFFFAOYSA-N	-2	1	486.575	3.118	40	0		JGABML
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)n1	ZINC000013948318	555658676	/nfs/dbraw/zinc/65/86/76/555658676.db2.gz	QIFMLOLQYRCZRG-UHFFFAOYSA-N	-2	1	497.396	3.458	40	0		JGABML
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCC(=O)[O-])cc3)C(=O)[O-])n2)c1	ZINC000408633299	569984404	/nfs/dbraw/zinc/98/44/04/569984404.db2.gz	MKZLODKEBDDNAO-IDUWFGFVSA-N	-2	1	457.464	3.170	40	0		JGABML
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(Br)c(Br)c1[O-]	ZINC000071773537	569698065	/nfs/dbraw/zinc/69/80/65/569698065.db2.gz	RQVNNDCPVAODES-XBXARRHUSA-N	-2	1	481.118	3.437	40	0		JGABML
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(Br)c(Br)c1[O-]	ZINC000409123273	570136708	/nfs/dbraw/zinc/13/67/08/570136708.db2.gz	BMBFSMOOHCPQEY-XVNBXDOJSA-N	-2	1	467.091	3.047	40	0		JGABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1Br	ZINC000022516366	555930619	/nfs/dbraw/zinc/93/06/19/555930619.db2.gz	GTEXGNJMEAIHKF-UHFFFAOYSA-N	-2	1	498.380	3.454	40	0		JGABML
CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1	ZINC000030851290	556377426	/nfs/dbraw/zinc/37/74/26/556377426.db2.gz	GTHYFKBUSXAOTJ-UHFFFAOYSA-N	-2	1	464.594	3.417	40	0		JGABML
Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000006088936	526226385	/nfs/dbraw/zinc/22/63/85/526226385.db2.gz	PFIIPLKABORUHK-UHFFFAOYSA-N	-3	1	454.460	3.445	40	0		JGABML
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(Br)cc1	ZINC000030852140	556377853	/nfs/dbraw/zinc/37/78/53/556377853.db2.gz	QCCMZJWUUNCGMJ-UHFFFAOYSA-N	-2	1	468.354	3.446	40	0		JGABML
Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)ccc1N1CCCC1=O	ZINC000044904472	525419553	/nfs/dbraw/zinc/41/95/53/525419553.db2.gz	JUIGJKDAMUDNTK-UHFFFAOYSA-N	-2	1	492.604	3.180	40	0		JGABML