smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000045349352	202549934	/nfs/dbraw/zinc/54/99/34/202549934.db2.gz	SCIXTMQLHIMUID-UHFFFAOYSA-N	-1	0	329.356	4.242	1	5		EIBFRM
Cc1ccc2c(c1)[nH]c1c2sc2c1c(=O)c(C(=O)[O-])cn2C1CC1	ZINC000071315760	203091050	/nfs/dbraw/zinc/09/10/50/203091050.db2.gz	DMWAQMPFYIOCAO-UHFFFAOYSA-N	-1	0	338.388	4.039	1	5		EIBFRM
COc1cccc(Nc2nc3cc(C(=O)[O-])ccc3c3cnccc23)c1	ZINC000066101656	215011197	/nfs/dbraw/zinc/01/11/97/215011197.db2.gz	ORFKRAIKKNYTFV-UHFFFAOYSA-N	-1	0	345.358	4.233	1	5		EIBFRM
O=C([O-])c1cc2c([nH]1)c([N+](=O)[O-])ccc2Nc1cccc(Cl)c1	ZINC000103244231	219274731	/nfs/dbraw/zinc/27/47/31/219274731.db2.gz	XMGPBVYOHVGVKG-UHFFFAOYSA-N	-1	0	331.715	4.171	1	5		EIBFRM
O=C([O-])Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000026394819	212518255	/nfs/dbraw/zinc/51/82/55/212518255.db2.gz	YEIAAELTBYZYJO-UHFFFAOYSA-N	-1	0	341.241	4.033	1	5		EIBFRM
O=C([O-])c1ccc2c(c1)nc(NCc1ccccc1)c1ccncc21	ZINC000066112500	215013930	/nfs/dbraw/zinc/01/39/30/215013930.db2.gz	QWIQBQDSYRRBAO-UHFFFAOYSA-N	-1	0	329.359	4.093	1	5		EIBFRM
Cc1c[nH]c(C(=O)[O-])c1-c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000001650878	209774255	/nfs/dbraw/zinc/77/42/55/209774255.db2.gz	PEILFELNUZCKAY-UHFFFAOYSA-N	-1	0	345.742	4.041	1	5		EIBFRM
COc1cccc(-c2nc3cc(C(=O)[O-])ccc3c3cnccc32)c1	ZINC000073224853	216366778	/nfs/dbraw/zinc/36/67/78/216366778.db2.gz	CINIRJLZWOCOCA-UHFFFAOYSA-N	-1	0	330.343	4.157	1	5		EIBFRM
O=C([O-])c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccncc21	ZINC000066111487	215012535	/nfs/dbraw/zinc/01/25/35/215012535.db2.gz	ROVRRTZZCDGHGR-UHFFFAOYSA-N	-1	0	333.322	4.364	1	5		EIBFRM
O=C([O-])Cc1cccc(Cl)c1Oc1c(Cl)cccc1[N+](=O)[O-]	ZINC000026397402	212518721	/nfs/dbraw/zinc/51/87/21/212518721.db2.gz	CTILTIDOGWWBGM-UHFFFAOYSA-N	-1	0	342.134	4.321	1	5		EIBFRM
O=C([O-])c1cc2c([nH]1)c([N+](=O)[O-])ccc2Nc1ccc(Cl)cc1	ZINC000103244233	219274151	/nfs/dbraw/zinc/27/41/51/219274151.db2.gz	OIJPNQHDAFDZHL-UHFFFAOYSA-N	-1	0	331.715	4.171	1	5		EIBFRM
Cc1cccc2[nH]c(C(=O)[O-])c(Sc3ccc([N+](=O)[O-])cc3)c21	ZINC000095585654	218441311	/nfs/dbraw/zinc/44/13/11/218441311.db2.gz	GYZVLCPXNZAYHH-UHFFFAOYSA-N	-1	0	328.349	4.234	1	5		EIBFRM
O=C([O-])CCCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000029462498	212667928	/nfs/dbraw/zinc/66/79/28/212667928.db2.gz	BFZSODDMGOSFNV-UHFFFAOYSA-N	-1	0	342.779	4.002	1	5		EIBFRM