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(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C1=N/c1ccc(Cl)c(C(=O)[O-])c1	ZINC000100260924	557396760	/nfs/dbraw/zinc/39/67/60/557396760.db2.gz	PNMNXDVGNAKRCN-XYKKRWIWSA-N	-1	2	433.829	3.886	50	30		IHEALM
CC(=O)C1=C(O)C(=O)N(c2ccc(OCC(=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1Cl	ZINC000008846453	569479077	/nfs/dbraw/zinc/47/90/77/569479077.db2.gz	BKGMWZQAVANGDC-SFHVURJKSA-N	-1	2	436.247	3.946	50	30		IHEALM
O=C([O-])c1ccc(NC(=O)CC2SC(=NN=C3CCCc4ccccc43)NC2=O)cc1	ZINC000012466887	526375606	/nfs/dbraw/zinc/37/56/06/526375606.db2.gz	BFFFNDZZNQBJEN-WLXKGNRNSA-N	-1	2	436.493	3.882	50	30		IHEALM
O=C([O-])c1ccc(NC(=O)C[C@@H]2SC(=NN=C3CCCc4ccccc43)NC2=O)cc1	ZINC000012466887	526375616	/nfs/dbraw/zinc/37/56/16/526375616.db2.gz	BFFFNDZZNQBJEN-WLXKGNRNSA-N	-1	2	436.493	3.882	50	30		IHEALM
CCOc1ccc(/N=C2\SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2CC)cc1	ZINC000009850565	556313961	/nfs/dbraw/zinc/31/39/61/556313961.db2.gz	SWRBNMDPYUHUEU-FNWSHLARSA-N	-1	2	441.509	3.764	50	30		IHEALM
O=C(/C=C/c1ccc(Br)cc1)c1c(O)nc([O-])n(CCc2ccccc2)c1=O	ZINC000009347770	569524329	/nfs/dbraw/zinc/52/43/29/569524329.db2.gz	CTJZBBXBVMCPHE-DHZHZOJOSA-N	-1	2	441.281	3.556	50	30		IHEALM
CCOc1ccc(/N=C2\SC(CC(=O)Nc3cccc(C(=O)[O-])c3)C(=O)N2CC)cc1	ZINC000009850920	556313937	/nfs/dbraw/zinc/31/39/37/556313937.db2.gz	NFEXQLJRWINYHF-FNWSHLARSA-N	-1	2	441.509	3.764	50	30		IHEALM
Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1NN=C1C=CC=C(c2cccc(C(=O)[O-])c2)C1=O	ZINC000030690955	569446541	/nfs/dbraw/zinc/44/65/41/569446541.db2.gz	TYEXNVNUZXJNBN-YYADALCUSA-N	-1	2	442.475	3.779	50	30	in-vitro	IHEALM
CCOc1ccc(/N=C2\SC(CC(=O)Nc3cccc(C(=O)[O-])c3)C(=O)N2CC)cc1	ZINC000009850919	556313815	/nfs/dbraw/zinc/31/38/15/556313815.db2.gz	NFEXQLJRWINYHF-LWVPEANGSA-N	-1	2	441.509	3.764	50	30		IHEALM
CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000252624415	569202814	/nfs/dbraw/zinc/20/28/14/569202814.db2.gz	PNMNXDVGNAKRCN-WFIFIHKFSA-N	-1	2	433.829	3.886	50	30		IHEALM
CCOc1ccc(/N=C2\SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2CC)cc1	ZINC000009850564	556313897	/nfs/dbraw/zinc/31/38/97/556313897.db2.gz	SWRBNMDPYUHUEU-LWVPEANGSA-N	-1	2	441.509	3.764	50	30		IHEALM
CN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000252624414	568902876	/nfs/dbraw/zinc/90/28/76/568902876.db2.gz	PNMNXDVGNAKRCN-PGQNSHDUSA-N	-1	2	433.829	3.886	50	30		IHEALM
[O-]C(OCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)o1)(C(F)(F)F)C(F)(F)F	ZINC000100290669	557398255	/nfs/dbraw/zinc/39/82/55/557398255.db2.gz	CKTYUVDYEJBNJT-UHFFFAOYSA-N	-1	2	430.141	3.922	50	30		IHEALM
Cc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2Cl)[nH]c(=O)c1Oc1ccccc1	ZINC000006077932	568821310	/nfs/dbraw/zinc/82/13/10/568821310.db2.gz	GNCLWIGQWXDKSQ-UHFFFAOYSA-N	-1	2	434.861	3.651	50	30		IHEALM
Cc1nc(NC(=O)N=S(=O)([O-])c2ccccc2Cl)[nH]c(=O)c1Oc1ccccc1	ZINC000006077932	568821312	/nfs/dbraw/zinc/82/13/12/568821312.db2.gz	GNCLWIGQWXDKSQ-UHFFFAOYSA-N	-1	2	434.861	3.651	50	30		IHEALM
Cc1nc(NC([O-])=NS(=O)(=O)c2ccccc2Cl)[nH]c(=O)c1Oc1ccccc1	ZINC000006077932	568821314	/nfs/dbraw/zinc/82/13/14/568821314.db2.gz	GNCLWIGQWXDKSQ-UHFFFAOYSA-N	-1	2	434.861	3.651	50	30		IHEALM
CC(=O)C1=C(O)C(=O)N(c2ccc(OCC(=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000008846452	569479060	/nfs/dbraw/zinc/47/90/60/569479060.db2.gz	BKGMWZQAVANGDC-GOSISDBHSA-N	-1	2	436.247	3.946	50	30		IHEALM