smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(CN2Cc3ccccc3[C@H]2C(=O)[O-])ccc1OCC(=O)[O-]	ZINC000066112492	215014258	/nfs/dbraw/zinc/01/42/58/215014258.db2.gz	FTRRTRJWEPYIES-SFHVURJKSA-N	-2	1	341.363	2.600	1	0		EFAFML
O=C([O-])Cc1cccc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)c1	ZINC000035965355	213052484	/nfs/dbraw/zinc/05/24/84/213052484.db2.gz	HEAVOHHRBAMIEV-JYRVWZFOSA-N	-2	1	329.333	2.898	1	0		EFAFML
C[C@@]1(CC(=O)[O-])c2nc([O-])c(=O)[nH]c2-c2cc(Cl)cc(Cl)c21	ZINC000013558302	581092608	/nfs/dbraw/zinc/09/26/08/581092608.db2.gz	GSONQSGOUMLFKL-AWEZNQCLSA-N	-2	1	341.150	2.956	1	0		EFAFML
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cc1	ZINC000013340530	207375346	/nfs/dbraw/zinc/37/53/46/207375346.db2.gz	CRRAZXSUDUXJIX-UHFFFAOYSA-N	-2	1	341.772	2.848	1	0		EFAFML
C[C@]1(CC(=O)[O-])c2nc([O-])c(=O)[nH]c2-c2cc(Cl)cc(Cl)c21	ZINC000013558303	581092528	/nfs/dbraw/zinc/09/25/28/581092528.db2.gz	GSONQSGOUMLFKL-CQSZACIVSA-N	-2	1	341.150	2.956	1	0		EFAFML
COc1c(Cl)cc(C(N)=O)c([O-])c1C/C=C(\C)CCC(=O)[O-]	ZINC000027634659	212569270	/nfs/dbraw/zinc/56/92/70/212569270.db2.gz	VGLQMGANCMUNAC-FPYGCLRLSA-N	-2	1	327.764	2.507	1	0		EFAFML
Cc1cc(CN2Cc3ccccc3[C@@H]2C(=O)[O-])ccc1OCC(=O)[O-]	ZINC000066112491	215014546	/nfs/dbraw/zinc/01/45/46/215014546.db2.gz	FTRRTRJWEPYIES-GOSISDBHSA-N	-2	1	341.363	2.600	1	0		EFAFML
Cn1c(=O)c(C(=O)[O-])c([O-])c2cc(Cc3ccc(F)cc3)ccc21	ZINC000040867174	213394577	/nfs/dbraw/zinc/39/45/77/213394577.db2.gz	YPNHXGADKUJXJG-UHFFFAOYSA-N	-2	1	327.311	2.672	1	0		EFAFML
C[C@@]1(CC(=O)[O-])c2ccc(Cl)c(Cl)c2-c2[nH]c(=O)c([O-])nc21	ZINC000013558306	211579217	/nfs/dbraw/zinc/57/92/17/211579217.db2.gz	DXVPPGKVZOYOQR-CQSZACIVSA-N	-2	1	341.150	2.956	1	0		EFAFML
COc1ccc(Cc2coc3c(C)c([O-])c(C=O)c([O-])c3c2=O)cc1	ZINC000013310197	560214123	/nfs/dbraw/zinc/21/41/23/560214123.db2.gz	MPUAHKMJGSMMIL-UHFFFAOYSA-N	-2	1	340.331	2.925	1	0	biogenic,in-vitro	EFAFML
Cc1ccccc1-c1ccc2nc(-n3cc(C(=O)[O-])cn3)[n-]c(=O)c2c1	ZINC000103265055	219278912	/nfs/dbraw/zinc/27/89/12/219278912.db2.gz	JXDODMNRELBPSL-UHFFFAOYSA-N	-2	1	346.346	2.782	1	0		EFAFML