smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1cc(O)c([O-])c(Br)c1	ZINC000000285747	188272415	/nfs/dbraw/zinc/27/24/15/188272415.db2.gz	XGWHVLKOISKVLR-UHFFFAOYSA-N	-1	3	245.116	3.158	50	10		BGCAHM
Cc1ccc(C)n1-c1ccc(Cl)c([O-])c1	ZINC000000447384	346419424	/nfs/dbraw/zinc/41/94/24/346419424.db2.gz	FOBUFBMRTTXBEU-UHFFFAOYSA-N	-1	3	221.687	3.453	50	10		BGCAHM
[O-]c1ccc(Cl)cc1CNc1nccs1	ZINC000002832652	183273454	/nfs/dbraw/zinc/27/34/54/183273454.db2.gz	VRAFXDUKQJVTEL-UHFFFAOYSA-N	-1	3	240.715	3.114	50	10		BGCAHM
[O-]c1ccc(Cl)cc1CNc1ccccn1	ZINC000004559201	183273369	/nfs/dbraw/zinc/27/33/69/183273369.db2.gz	NAKIPYFXJZUDBK-UHFFFAOYSA-N	-1	3	234.686	3.053	50	10		BGCAHM
Cc1cc(N=Nc2nccs2)c(O)cc1[O-]	ZINC000004786551	342752135	/nfs/dbraw/zinc/75/21/35/342752135.db2.gz	WYTAVGNTSZKJHY-OUKQBFOZSA-N	-1	3	235.268	3.278	50	10		BGCAHM
Cc1ccnc(NCc2cc(Cl)ccc2[O-])c1	ZINC000018142989	384499827	/nfs/dbraw/zinc/49/98/27/384499827.db2.gz	LGOMLUARCLNFCU-UHFFFAOYSA-N	-1	3	248.713	3.361	50	10		BGCAHM
Cc1cccc(NCc2cc(Cl)ccc2[O-])n1	ZINC000018322411	179148023	/nfs/dbraw/zinc/14/80/23/179148023.db2.gz	IPDWHVNMRYFCAU-UHFFFAOYSA-N	-1	3	248.713	3.361	50	10		BGCAHM
O=[N+]([N-]c1ccc(O)cc1)c1ccc([O-])cc1	ZINC000100063723	187290428	/nfs/dbraw/zinc/29/04/28/187290428.db2.gz	VCVDNSCCCADAHZ-BUHFOSPRSA-N	-1	3	230.223	3.024	50	10		BGCAHM
C=C1N=NC([O-])=C1NNc1ccc(C)cc1	ZINC000100238957	178360386	/nfs/dbraw/zinc/36/03/86/178360386.db2.gz	JTUGZYQJTOWKKW-BUHFOSPRSA-N	-1	3	216.244	3.148	50	10		BGCAHM
CC(C)CC[C@@H](C)NC(=O)c1cc([O-])cs1	ZINC000101072553	410699299	/nfs/dbraw/zinc/69/92/99/410699299.db2.gz	VCEHKEAVOIBVDG-SECBINFHSA-N	-1	3	241.356	3.008	50	10		BGCAHM
CC(C)CC[C@H](C)NC(=O)c1cc([O-])cs1	ZINC000101072555	410699198	/nfs/dbraw/zinc/69/91/98/410699198.db2.gz	VCEHKEAVOIBVDG-VIFPVBQESA-N	-1	3	241.356	3.008	50	10		BGCAHM
Cc1cc(N=Nc2nccs2)c(O)cc1[O-]	ZINC000254408605	178123577	/nfs/dbraw/zinc/12/35/77/178123577.db2.gz	WYTAVGNTSZKJHY-UHFFFAOYSA-N	-1	3	235.268	3.278	50	10		BGCAHM