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(=O)[O-])ccc1-c1ccc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000096480021	524191264	/nfs/dbraw/zinc/19/12/64/524191264.db2.gz	CHKOBUNNGAKQJO-YVNNLAQVSA-N	-2	0	383.787	5.055	40	30		GKEBRL
O=[N+]([O-])c1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)c([O-])c2)c1[O-]	ZINC000003192720	570332130	/nfs/dbraw/zinc/33/21/30/570332130.db2.gz	DIZPQGJPMFZJMN-SRZZPIQSSA-N	-2	0	391.408	5.033	40	30		GKEBRL
CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Br)c2[O-])c1	ZINC000000793537	570482036	/nfs/dbraw/zinc/48/20/36/570482036.db2.gz	LDCRFKBXKHBQTF-KTMXNEEYSA-N	-2	0	382.685	5.778	40	30		GKEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1c(C)c(Cl)c(C)c(Br)c1[O-]	ZINC000006188956	204170602	/nfs/dbraw/zinc/17/06/02/204170602.db2.gz	YGULSTZGOPIRKH-IFRROFPPSA-N	-2	0	396.668	5.182	40	30		GKEBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000004740765	570401120	/nfs/dbraw/zinc/40/11/20/570401120.db2.gz	CHKOBUNNGAKQJO-LSHDLFTRSA-N	-2	0	383.787	5.055	40	30		GKEBRL
Cc1cc(/C=N/c2ccccc2[S-])c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408852942	231121230	/nfs/dbraw/zinc/12/12/30/231121230.db2.gz	OOZBFWAQTRABAI-SSDVNMTOSA-N	-2	0	384.888	5.485	40	30		GKEBRL
Cc1cc(/C=N/c2ccccc2[S-])c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408938215	231133685	/nfs/dbraw/zinc/13/36/85/231133685.db2.gz	HJGGIZYYUCAZBX-SSDVNMTOSA-N	-2	0	384.888	5.485	40	30		GKEBRL
Cc1ccc(-c2ccc(/C=N/c3ccc(C(=O)[O-])c(Cl)c3)o2)cc1C(=O)[O-]	ZINC000408845338	231120594	/nfs/dbraw/zinc/12/05/94/231120594.db2.gz	GCRZRFDCBMMFEX-LSHDLFTRSA-N	-2	0	383.787	5.055	40	30		GKEBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2cc(C(=O)[O-])ccc2Cl)o1	ZINC000408961263	231136197	/nfs/dbraw/zinc/13/61/97/231136197.db2.gz	LYPPABGYGLOVQB-LSHDLFTRSA-N	-2	0	383.787	5.055	40	30		GKEBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)o1	ZINC000408962453	231136247	/nfs/dbraw/zinc/13/62/47/231136247.db2.gz	SHDWVVSWPDJMRH-LSHDLFTRSA-N	-2	0	383.787	5.055	40	30		GKEBRL
CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Br)c2[O-])c1	ZINC000000793539	570482056	/nfs/dbraw/zinc/48/20/56/570482056.db2.gz	LDCRFKBXKHBQTF-YPZZKDGISA-N	-2	0	382.685	5.778	40	30		GKEBRL
COc1cc(/C=N/c2ccccc2[S-])ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408847846	231120576	/nfs/dbraw/zinc/12/05/76/231120576.db2.gz	VZDZDUARZDXLJO-YDZHTSKRSA-N	-2	0	393.464	5.012	40	30		GKEBRL
CCCCCCCCCCCCCCCC(=O)N(CCC(=O)[O-])CCC(=O)[O-]	ZINC000100932721	211394581	/nfs/dbraw/zinc/39/45/81/211394581.db2.gz	FJTDZRVLTJQOMD-UHFFFAOYSA-N	-2	0	399.572	5.246	40	30		GKEBRL
COc1cccc(/C=N/c2ccccc2[S-])c1OCc1ccc(C(=O)[O-])cc1	ZINC000409183784	533390213	/nfs/dbraw/zinc/39/02/13/533390213.db2.gz	GFUFLORUENOXHM-YDZHTSKRSA-N	-2	0	393.464	5.012	40	30		GKEBRL
Cc1cc(C(=O)[O-])ccc1/N=C\c1c(C)c(Cl)c(C)c(Br)c1[O-]	ZINC000016282470	524191591	/nfs/dbraw/zinc/19/15/91/524191591.db2.gz	YGULSTZGOPIRKH-SCDVKCJHSA-N	-2	0	396.668	5.182	40	30		GKEBRL
CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000000793450	570482069	/nfs/dbraw/zinc/48/20/69/570482069.db2.gz	LYISTVOKZCQUGR-YPZZKDGISA-N	-2	0	382.685	5.778	40	30		GKEBRL
C/C(=N\c1ccccc1[S-])c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643607	518473686	/nfs/dbraw/zinc/47/36/86/518473686.db2.gz	BTWKPBMNUNZHPE-BUVRLJJBSA-N	-2	0	386.476	5.126	40	30		GKEBRL
CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000000793448	570481831	/nfs/dbraw/zinc/48/18/31/570481831.db2.gz	LYISTVOKZCQUGR-KTMXNEEYSA-N	-2	0	382.685	5.778	40	30		GKEBRL