smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)S1	ZINC000006262356	471537852	/nfs/dbraw/zinc/53/78/52/471537852.db2.gz	HRLHGFDXCYGURM-RUDMXATFSA-N	-2	3	331.180	2.805	40	10		EFCBHL
COc1cc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)ccc1F	ZINC000390833506	476804987	/nfs/dbraw/zinc/80/49/87/476804987.db2.gz	IMQJTPXZCOQWPG-UHFFFAOYSA-N	-2	3	339.344	2.543	40	10		EFCBHL
COCc1ccccc1S(=O)(=O)[N-]c1ccc([O-])cc1C(C)=O	ZINC000390834342	476804639	/nfs/dbraw/zinc/80/46/39/476804639.db2.gz	WRRMJACTBIQXEO-UHFFFAOYSA-N	-2	3	335.381	2.542	40	10		EFCBHL
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1[O-]	ZINC000408880047	476973444	/nfs/dbraw/zinc/97/34/44/476973444.db2.gz	GSHJUVGNOPFNCI-UKTHLTGXSA-N	-2	3	342.738	2.712	40	10		EFCBHL
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000226856176	242117981	/nfs/dbraw/zinc/11/79/81/242117981.db2.gz	IRCNZOKHGBXZTG-UHFFFAOYSA-N	-2	3	341.772	2.853	40	10		EFCBHL
O=C([O-])CN1C(=O)/C(=C/c2c([O-])ccc3ccccc32)SC1=S	ZINC000003030771	471431958	/nfs/dbraw/zinc/43/19/58/471431958.db2.gz	NYMXURLOWOPGBO-QPEQYQDCSA-N	-2	3	345.401	2.831	40	10		EFCBHL
CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2[O-])S1	ZINC000409084765	476977320	/nfs/dbraw/zinc/97/73/20/476977320.db2.gz	QIRWXJWXSNYYBF-YCRREMRBSA-N	-2	3	331.180	2.805	40	10		EFCBHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000013879894	471845155	/nfs/dbraw/zinc/84/51/55/471845155.db2.gz	NLBCELJQHBEUJT-XNTDXEJSSA-N	-2	3	337.335	2.809	40	10		EFCBHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2c(c1)OCO2	ZINC000390834002	476804318	/nfs/dbraw/zinc/80/43/18/476804318.db2.gz	QGHZKMHYPFCISM-UHFFFAOYSA-N	-2	3	327.745	2.575	40	10		EFCBHL
O=C([O-])c1ccc2c(c1)C(=O)c1c([O-])c3ccccc3c(O)c1C2=O	ZINC000004934733	304252178	/nfs/dbraw/zinc/25/21/78/304252178.db2.gz	UONGPEPIFCJNBM-UHFFFAOYSA-N	-2	3	334.283	2.725	40	10		EFCBHL
O=C([O-])c1ccc2c(c1)C(=O)c1c(O)c3ccccc3c([O-])c1C2=O	ZINC000004934733	304252180	/nfs/dbraw/zinc/25/21/80/304252180.db2.gz	UONGPEPIFCJNBM-UHFFFAOYSA-N	-2	3	334.283	2.725	40	10		EFCBHL
O=C([O-])c1ccc2ccc(/C=C/c3cc(O)c([O-])c(O)c3)nc2c1O	ZINC000003828932	210078703	/nfs/dbraw/zinc/07/87/03/210078703.db2.gz	DEHWDDWRZXNDCL-DAFODLJHSA-N	-2	3	339.303	2.926	40	10		EFCBHL
O=c1nc(C=Cc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409304264	476981809	/nfs/dbraw/zinc/98/18/09/476981809.db2.gz	QRBKGXJADBYILF-YVMONPNESA-N	-2	3	328.328	2.567	40	10		EFCBHL