smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000033705383	569245994	/nfs/dbraw/zinc/24/59/94/569245994.db2.gz	KYGRSINTWLUNSK-UHFFFAOYSA-N	-2	1	429.523	3.487	40	0		IGABML
Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000033705383	569245995	/nfs/dbraw/zinc/24/59/95/569245995.db2.gz	KYGRSINTWLUNSK-UHFFFAOYSA-N	-2	1	429.523	3.487	40	0		IGABML
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000033705383	569245996	/nfs/dbraw/zinc/24/59/96/569245996.db2.gz	KYGRSINTWLUNSK-UHFFFAOYSA-N	-2	1	429.523	3.487	40	0		IGABML
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(C(=O)[O-])cc3)C(=O)[O-])n2)c1	ZINC000408633343	556007529	/nfs/dbraw/zinc/00/75/29/556007529.db2.gz	MPBDGCCVFQVSMH-APSNUPSMSA-N	-2	1	427.438	3.405	40	0		IGABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1C	ZINC000022525445	525083282	/nfs/dbraw/zinc/08/32/82/525083282.db2.gz	YZPFTVZEHPLGBG-UHFFFAOYSA-N	-2	1	433.511	3.000	40	0		IGABML
Cc1nnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)s1	ZINC000027986962	569405294	/nfs/dbraw/zinc/40/52/94/569405294.db2.gz	LSRMALDIHZDMBN-UHFFFAOYSA-N	-2	1	438.556	3.065	40	0		IGABML
CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1	ZINC000020456284	521210481	/nfs/dbraw/zinc/21/04/81/521210481.db2.gz	NUYIQLDLKBHANF-UHFFFAOYSA-N	-2	1	433.511	3.082	40	0		IGABML
CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1	ZINC000409410195	557103278	/nfs/dbraw/zinc/10/32/78/557103278.db2.gz	KYGODXYCLKBRHB-UHFFFAOYSA-N	-2	1	441.581	3.467	40	0		IGABML
C=CCN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)C(=O)[N-]C1=S	ZINC000033626686	569245045	/nfs/dbraw/zinc/24/50/45/569245045.db2.gz	SJYXAKLBGNTPAJ-ZROIWOOFSA-N	-2	1	442.449	3.218	40	0		IGABML
O=C([O-])COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1	ZINC000020501865	527619575	/nfs/dbraw/zinc/61/95/75/527619575.db2.gz	QRDNEVXKPVQSKQ-XPWALMASSA-N	-2	1	444.443	3.201	40	0		IGABML
CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1	ZINC000020458412	526054442	/nfs/dbraw/zinc/05/44/42/526054442.db2.gz	PSRNKDUYIXETDB-UHFFFAOYSA-N	-2	1	435.552	3.405	40	0		IGABML