smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCCC(C)(C(=O)[O-])C(=O)O	142288687	1169206309	/nfs/dbraw/zinc/20/63/09/1169206309.db2.gz	WQWYHBWDHFVSKN-UHFFFAOYSA-N	-1	2	172.180	1.128	50	30		ADEALM
C=C(C)CCO[P@@](=O)([O-])O	2557111	166117191	/nfs/dbraw/zinc/11/71/91/166117191.db2.gz	QMZRXYCCCYYMHF-UHFFFAOYSA-N	-1	2	166.113	1.062	50	30	in-vitro	ADEALM
C=C(C)CCO[P@](=O)([O-])O	2557111	166117194	/nfs/dbraw/zinc/11/71/94/166117194.db2.gz	QMZRXYCCCYYMHF-UHFFFAOYSA-N	-1	2	166.113	1.062	50	30	in-vitro	ADEALM
C=CC/C(C(=O)[O-])=C(\CC=C)C(=O)O	71625287	166162045	/nfs/dbraw/zinc/16/20/45/166162045.db2.gz	GYKADMDAFXNZNR-FPLPWBNLSA-N	-1	2	196.202	1.604	50	30		ADEALM
C=CCC(CCC)(C(=O)[O-])C(=O)O	71774093	166164491	/nfs/dbraw/zinc/16/44/91/166164491.db2.gz	CRYLXRKXSREUEA-UHFFFAOYSA-N	-1	2	186.207	1.518	50	30		ADEALM
O=[P@@]([O-])(O)OC#Cc1ccccc1	3181745	342981824	/nfs/dbraw/zinc/98/18/24/342981824.db2.gz	GIOIQGOQVRDIDB-UHFFFAOYSA-N	-1	2	198.114	1.105	50	30		ADEALM
O=[P@]([O-])(O)OC#Cc1ccccc1	3181745	342981826	/nfs/dbraw/zinc/98/18/26/342981826.db2.gz	GIOIQGOQVRDIDB-UHFFFAOYSA-N	-1	2	198.114	1.105	50	30		ADEALM
O=[N+]([O-])c1ccc([O-])c(/C=N/O)c1	16385656	351380556	/nfs/dbraw/zinc/38/05/56/351380556.db2.gz	DVBKBUGAIYQNOE-XBXARRHUSA-N	-1	2	182.135	1.109	50	30		ADEALM