smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)Cc2c(cc(CC(=O)[O-])n2-c2ccc(C(=O)[O-])cc2)C(=O)C1	ZINC000008990244	281369275	/nfs/dbraw/zinc/36/92/75/281369275.db2.gz	KWEFIWRFXFCYAP-UHFFFAOYSA-N	-2	0	341.363	2.958	50	10		EFCARL
O=c1c(N=Nc2ccc(S(=O)(=O)[O-])cc2)n[n-]n1-c1ccccc1	ZINC000025692348	304768566	/nfs/dbraw/zinc/76/85/66/304768566.db2.gz	OKEOONPDRWWWMA-FOCLMDBBSA-N	-2	0	345.340	2.635	50	10		EFCARL
Cc1[n-]n2c(nc(C)c(Cc3cccc(Cl)c3)c2=O)c1C(=O)[O-]	ZINC000103795301	472648073	/nfs/dbraw/zinc/64/80/73/472648073.db2.gz	KCLQDATTYYHHLD-UHFFFAOYSA-N	-2	0	331.759	2.994	50	10		EFCARL
O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3NC(=S)NC3=O)o2)c1	ZINC000002163886	471403300	/nfs/dbraw/zinc/40/33/00/471403300.db2.gz	WXCGAGUTTYDFDJ-WDZFZDKYSA-N	-2	0	348.767	2.643	50	10		EFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000101954022	219175226	/nfs/dbraw/zinc/17/52/26/219175226.db2.gz	WNZHTWQYKDAJSH-AMGRQBIBSA-N	-2	0	338.323	2.965	50	10		EFCARL
CN1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1=O	ZINC000008914492	289849849	/nfs/dbraw/zinc/84/98/49/289849849.db2.gz	JQXSVPPVVUUSMN-XYOKQWHBSA-N	-2	0	340.291	2.577	50	10		EFCARL
Cc1[n-]n2c(nc(C)c(Cc3ccccc3Cl)c2=O)c1C(=O)[O-]	ZINC000103795322	302807452	/nfs/dbraw/zinc/80/74/52/302807452.db2.gz	ATXBQPXQTOBFLE-UHFFFAOYSA-N	-2	0	331.759	2.994	50	10		EFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000038166739	472018928	/nfs/dbraw/zinc/01/89/28/472018928.db2.gz	WNZHTWQYKDAJSH-MJWGMMHASA-N	-2	0	338.323	2.965	50	10		EFCARL
CC1(C)Cc2c(cc(CC(=O)[O-])n2-c2cccc(C(=O)[O-])c2)C(=O)C1	ZINC000008991525	281369230	/nfs/dbraw/zinc/36/92/30/281369230.db2.gz	JTKCOHCCYVFFHI-UHFFFAOYSA-N	-2	0	341.363	2.958	50	10		EFCARL
O=C([O-])c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000013766071	304231845	/nfs/dbraw/zinc/23/18/45/304231845.db2.gz	LXHVLHODSDJMDA-UVTDQMKNSA-N	-2	0	336.303	2.892	50	10		EFCARL
O=C([O-])c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000008739533	304231281	/nfs/dbraw/zinc/23/12/81/304231281.db2.gz	LXHVLHODSDJMDA-GXDHUFHOSA-N	-2	0	336.303	2.892	50	10		EFCARL
COc1cc(C(=O)[O-])cc(OC)c1OCc1cc(C(=O)[O-])oc1C	ZINC000005060609	210380254	/nfs/dbraw/zinc/38/02/54/210380254.db2.gz	KSQVYRZSGXKBCD-UHFFFAOYSA-N	-2	0	336.296	2.581	50	10		EFCARL