smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nc(C(=O)[O-])c(=O)[nH]c1=O	1683992	169059834	/nfs/dbraw/zinc/05/98/34/169059834.db2.gz	YESSLUNJUFVOMP-UHFFFAOYSA-N	-1	2	171.112	-1.833	40	0		AAABLM
[NH3+]Nc1nc(=O)c(CCC(=O)[O-])n[n-]1	38804382	169238806	/nfs/dbraw/zinc/23/88/06/169238806.db2.gz	JFLDAZSIUKHANL-UHFFFAOYSA-N	-1	2	199.170	-1.532	40	0		AAABLM
[NH3+][C@@H](CC(=O)[O-])[P@@](=O)([O-])O	5502263	169243451	/nfs/dbraw/zinc/24/34/51/169243451.db2.gz	PYNYIIAOBBMFDZ-UWTATZPHSA-N	-1	2	169.073	-1.076	40	0		AAABLM
[NH3+][C@@H](CC(=O)[O-])[P@](=O)([O-])O	5502263	169243453	/nfs/dbraw/zinc/24/34/53/169243453.db2.gz	PYNYIIAOBBMFDZ-UWTATZPHSA-N	-1	2	169.073	-1.076	40	0		AAABLM
[NH3+][C@H](CC(=O)[O-])[P@@](=O)([O-])O	5502157	169264080	/nfs/dbraw/zinc/26/40/80/169264080.db2.gz	PYNYIIAOBBMFDZ-REOHCLBHSA-N	-1	2	169.073	-1.076	40	0		AAABLM
[NH3+][C@H](CC(=O)[O-])[P@](=O)([O-])O	5502157	169264082	/nfs/dbraw/zinc/26/40/82/169264082.db2.gz	PYNYIIAOBBMFDZ-REOHCLBHSA-N	-1	2	169.073	-1.076	40	0		AAABLM
Nc1nc(O)c(C(=O)[O-])c(=O)[nH]1	225007629	169305272	/nfs/dbraw/zinc/30/52/72/169305272.db2.gz	ZQIKJSUQCRKVJQ-UHFFFAOYSA-N	-1	2	171.112	-1.244	40	0		AAABLM
NC1=NC(=O)C(C(=O)[O-])C(=O)N1	225007629	169305274	/nfs/dbraw/zinc/30/52/74/169305274.db2.gz	ZQIKJSUQCRKVJQ-UHFFFAOYSA-N	-1	2	171.112	-1.244	40	0		AAABLM
O=C([O-])CN1C(=O)NC(=O)C1=O	6644703	169340087	/nfs/dbraw/zinc/34/00/87/169340087.db2.gz	OSIPJOHZPJIMQY-UHFFFAOYSA-N	-1	2	172.096	-1.851	40	0		AAABLM
O=C([O-])c1nnc2[nH]cnn2c1=O	100227262	171144444	/nfs/dbraw/zinc/14/44/44/171144444.db2.gz	JIBDAVOXBCHZPL-UHFFFAOYSA-N	-1	2	181.111	-1.489	40	0		AAABLM
O=c1nc2[n-]ncnc-2c(=O)[nH]1	1704493	171221238	/nfs/dbraw/zinc/22/12/38/171221238.db2.gz	IDJLTUNWTSUIHO-UHFFFAOYSA-N	-1	2	165.112	-1.647	40	0	in-vitro	AAABLM
O=c1cnc(=O)[nH][n-]1	8652474	351356245	/nfs/dbraw/zinc/35/62/45/351356245.db2.gz	MCKCYAAXZPKZQD-UHFFFAOYSA-N	-1	2	113.076	-1.542	40	0		AAABLM
O=C1NC(=O)NC(C(=O)[O-])N1	1572549	560182419	/nfs/dbraw/zinc/18/24/19/560182419.db2.gz	IRFZLMWJJPULRF-UHFFFAOYSA-N	-1	2	159.101	-1.581	40	0	in-vitro	AAABLM