smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c([O-])c(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)c(=O)n(CC)c1=S	ZINC000000984612	557131855	/nfs/dbraw/zinc/13/18/55/557131855.db2.gz	UKVHFOJFVAZTJW-UHFFFAOYSA-N	-1	1	410.521	0.520	50	10		HCCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1O	ZINC000001580990	569073602	/nfs/dbraw/zinc/07/36/02/569073602.db2.gz	DTPKHLIHZPJSFQ-UHFFFAOYSA-N	-1	1	404.185	0.920	50	10		HCCAMM
COCCNC(=O)Cn1c(C)c(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000002178842	557322347	/nfs/dbraw/zinc/32/23/47/557322347.db2.gz	ZOLNYQBBTBYJLW-UHFFFAOYSA-N	-1	1	400.460	0.627	50	10		HCCAMM
CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1	ZINC000002996506	557780044	/nfs/dbraw/zinc/78/00/44/557780044.db2.gz	JXMSRFBBULMLLG-UHFFFAOYSA-N	-1	1	403.372	0.521	50	10		HCCAMM
O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1	ZINC000003067180	557794513	/nfs/dbraw/zinc/79/45/13/557794513.db2.gz	RLKJNDGTKNSXSK-UHFFFAOYSA-N	-1	1	416.484	0.992	50	10		HCCAMM
Cc1cc(=O)[n-]c(NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1	ZINC000003336497	568882786	/nfs/dbraw/zinc/88/27/86/568882786.db2.gz	FESIQYGJNBCYGK-UHFFFAOYSA-N	-1	1	424.508	0.413	50	10		HCCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)N1CCOCC1	ZINC000004545615	558664781	/nfs/dbraw/zinc/66/47/81/558664781.db2.gz	WVJPHRLEIGCXSM-UHFFFAOYSA-N	-1	1	419.459	0.237	50	10		HCCAMM
CN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C(=O)[N-]C1=S	ZINC000008659834	571099486	/nfs/dbraw/zinc/09/94/86/571099486.db2.gz	ROPGZSPNWASQKX-XNTDXEJSSA-N	-1	1	412.471	0.757	50	10		HCCAMM
Cc1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1NS(C)(=O)=O	ZINC000012747121	568932737	/nfs/dbraw/zinc/93/27/37/568932737.db2.gz	FXVVAFSZFARVHV-UHFFFAOYSA-N	-1	1	419.506	0.815	50	10		HCCAMM
COc1ccc(N2CCN3c4ccc(N)cc4CC4(C(=O)[N-]C(=O)NC4=O)[C@@H]3C2)cc1	ZINC000017027241	558812205	/nfs/dbraw/zinc/81/22/05/558812205.db2.gz	MRPSAKVJZBWHAN-SFHVURJKSA-N	-1	1	421.457	0.881	50	10		HCCAMM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CNCCCN3CCOCC3)C2=O)c1	ZINC000020292111	558354255	/nfs/dbraw/zinc/35/42/55/558354255.db2.gz	WQFJUYAYCJAUFX-FYWRMAATSA-N	-1	1	418.450	0.482	50	10		HCCAMM
CN1CCN(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)CC1	ZINC000020327004	558355613	/nfs/dbraw/zinc/35/56/13/558355613.db2.gz	FDAICASSXUZNBT-JLHYYAGUSA-N	-1	1	408.256	0.872	50	10		HCCAMM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNN3CCN(C)CC3)C2=O)cc1OC	ZINC000020357428	558357864	/nfs/dbraw/zinc/35/78/64/558357864.db2.gz	BGWAKEJUGDCNPH-FYWRMAATSA-N	-1	1	417.466	0.165	50	10		HCCAMM
CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)cc1	ZINC000089490114	569061136	/nfs/dbraw/zinc/06/11/36/569061136.db2.gz	AAXFTILLCDIXEQ-UHFFFAOYSA-N	-1	1	406.463	0.244	50	10		HCCAMM
O=C(c1ccco1)N1CCN(C=C2C(=O)[N-]C(=S)N(Cc3ccco3)C2=O)CC1	ZINC000096252964	568711806	/nfs/dbraw/zinc/71/18/06/568711806.db2.gz	ZAHNUPHJOFRXHK-WYMLVPIESA-N	-1	1	414.443	0.958	50	10		HCCAMM