smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]n(-c2cccc(C(=O)[O-])c2)c(=O)c1C=C1C(C)=NN(c2cccc(C(=O)[O-])c2)[C@H]1O	ZINC000013915055	556332164	/nfs/dbraw/zinc/33/21/64/556332164.db2.gz	KMFZHXPXAXGWSV-OLROSQPISA-N	-2	1	448.435	2.468	40	0		IEABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1F	ZINC000044842961	569584720	/nfs/dbraw/zinc/58/47/20/569584720.db2.gz	UVNYSYALEYJXKU-UHFFFAOYSA-N	-2	1	437.474	2.831	40	0		IEABML
CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1C(=O)N1CCOCC1	ZINC000026118035	557448987	/nfs/dbraw/zinc/44/89/87/557448987.db2.gz	IDRHSVOWCKAQSL-UHFFFAOYSA-N	-2	1	436.511	2.380	40	0		IEABML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1	ZINC000028632055	568864574	/nfs/dbraw/zinc/86/45/74/568864574.db2.gz	FAMNZFYIOABJTD-UHFFFAOYSA-N	-3	1	439.496	2.443	40	0		IEABML
Cc1[nH]n(-c2cccc(C(=O)[O-])c2)c(=O)c1C=C1C(C)=NN(c2cccc(C(=O)[O-])c2)[C@@H]1O	ZINC000013915057	556332254	/nfs/dbraw/zinc/33/22/54/556332254.db2.gz	KMFZHXPXAXGWSV-ZMUHTPIZSA-N	-2	1	448.435	2.468	40	0		IEABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1F	ZINC000020046390	556973386	/nfs/dbraw/zinc/97/33/86/556973386.db2.gz	NZJSLIQBZWCFGK-UHFFFAOYSA-N	-2	1	438.462	2.226	40	0		IEABML
O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000016449385	569584050	/nfs/dbraw/zinc/58/40/50/569584050.db2.gz	IAYQKHVCTSVXIV-UHFFFAOYSA-N	-2	1	439.496	2.443	40	0		IEABML
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc2c(c1)OCCO2	ZINC000016978313	556652114	/nfs/dbraw/zinc/65/21/14/556652114.db2.gz	ZXVYUAKRGUUXRP-UHFFFAOYSA-N	-2	1	447.494	2.454	40	0		IEABML
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1	ZINC000044841132	569582948	/nfs/dbraw/zinc/58/29/48/569582948.db2.gz	QMABSZIGSUPIDB-UHFFFAOYSA-N	-2	1	446.510	2.642	40	0		IEABML
O=C1[N-]C(=S)NC1=Cc1cc(Br)c([O-])c(I)c1	ZINC000100454648	557113622	/nfs/dbraw/zinc/11/36/22/557113622.db2.gz	BSPHXAUMDMRPET-XVNBXDOJSA-N	-2	1	425.045	2.105	40	0		IEABML