smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=S)S/C1=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000001033065	431213410	/nfs/dbraw/zinc/21/34/10/431213410.db2.gz	DKPUTSXUNGELDW-FARCUNLSSA-N	-2	3	306.195	3.188	50	10		DGCAHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(Cl)cc1	ZINC000000580414	431205709	/nfs/dbraw/zinc/20/57/09/431205709.db2.gz	BDTDZZXNQIDWSU-UHFFFAOYSA-N	-2	3	318.181	3.500	50	10		DGCAHL
Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1ccccc1[O-]	ZINC000005730817	181277810	/nfs/dbraw/zinc/27/78/10/181277810.db2.gz	VNCLHTKWCBNIIL-SDNWHVSQSA-N	-2	3	307.353	3.419	50	10		DGCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(C)c1	ZINC000000207214	431145401	/nfs/dbraw/zinc/14/54/01/431145401.db2.gz	YQXOLMNQJPKIJJ-UHFFFAOYSA-N	-2	3	311.790	3.463	50	10		DGCAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccccc1[O-]	ZINC000100148669	431981092	/nfs/dbraw/zinc/98/10/92/431981092.db2.gz	LIFPSULRQAWLDN-GXDHUFHOSA-N	-2	3	311.316	3.250	50	10		DGCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2C)cc1	ZINC000000065369	431116343	/nfs/dbraw/zinc/11/63/43/431116343.db2.gz	RXZVNDMOEPFRQW-UHFFFAOYSA-N	-2	3	311.790	3.463	50	10		DGCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C)c([O-])c(Cl)c2)cc1	ZINC000000065380	431116032	/nfs/dbraw/zinc/11/60/32/431116032.db2.gz	KXTIBZHFVPHOLT-UHFFFAOYSA-N	-2	3	311.790	3.463	50	10		DGCAHL
Cc1cc([N-]S(=O)(=O)c2ccccc2)c(C)c(Cl)c1[O-]	ZINC000000193486	431142440	/nfs/dbraw/zinc/14/24/40/431142440.db2.gz	SDSUWSPCHAFZNZ-UHFFFAOYSA-N	-2	3	311.790	3.463	50	10		DGCAHL
O=C1[N-]C(=S)C(=Cc2cc(Br)ccc2[O-])S1	ZINC000013805664	431570666	/nfs/dbraw/zinc/57/06/66/431570666.db2.gz	LQDAZUXJRFEYTB-YWEYNIOJSA-N	-2	3	316.201	3.279	50	10		DGCAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccccc1[O-]	ZINC000015930497	182025321	/nfs/dbraw/zinc/02/53/21/182025321.db2.gz	LIFPSULRQAWLDN-UVTDQMKNSA-N	-2	3	311.316	3.250	50	10		DGCAHL
Cc1c(C)c([N-]S(=O)(=O)c2ccccc2)cc(Cl)c1[O-]	ZINC000000065413	431117452	/nfs/dbraw/zinc/11/74/52/431117452.db2.gz	LEILQUVZVYXNRY-UHFFFAOYSA-N	-2	3	311.790	3.463	50	10		DGCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c3ncccc23)cc1	ZINC000002697976	431263696	/nfs/dbraw/zinc/26/36/96/431263696.db2.gz	ZWJCGLNKKPTWJA-UHFFFAOYSA-N	-2	3	314.366	3.050	50	10		DGCAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000000239840	431151014	/nfs/dbraw/zinc/15/10/14/431151014.db2.gz	NTAMVMMNVKFDKO-UHFFFAOYSA-N	-2	3	311.790	3.463	50	10		DGCAHL
O=C1[N-]C(=S)S/C1=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000012339021	304658574	/nfs/dbraw/zinc/65/85/74/304658574.db2.gz	DKPUTSXUNGELDW-UQCOIBPSSA-N	-2	3	306.195	3.188	50	10		DGCAHL
O=S(=O)([N-]c1ccc([O-])c2ccccc12)c1ccc(F)cc1	ZINC000000189835	431142457	/nfs/dbraw/zinc/14/24/57/431142457.db2.gz	YSGRDPNYGMQUTB-UHFFFAOYSA-N	-2	3	317.341	3.485	50	10		DGCAHL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccccc1[O-]	ZINC000006556836	181354003	/nfs/dbraw/zinc/35/40/03/181354003.db2.gz	OSMFIEKAMCURGW-PTNGSMBKSA-N	-2	3	307.353	3.419	50	10		DGCAHL
O=S(=O)([N-]c1ccc([O-])c2ccccc12)c1cccs1	ZINC000000073745	545644144	/nfs/dbraw/zinc/64/41/44/545644144.db2.gz	PGMYLDPZRWWFCZ-UHFFFAOYSA-N	-2	3	305.380	3.408	50	10		DGCAHL