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-])[n-]c1=O	82522342	169059054	/nfs/dbraw/zinc/05/90/54/169059054.db2.gz	PWELPWHVKYHTOK-UHFFFAOYSA-N	-2	1	143.102	-1.193	50	0		AAAAML
N[C@H](C(=O)[O-])c1nn[n-]n1	4214424	169263360	/nfs/dbraw/zinc/26/33/60/169263360.db2.gz	UKBRUIZWQZHXFL-SFOWXEAESA-N	-2	1	143.106	-1.716	50	0	in-vitro	AAAAML
O=C([O-])CN(CCO)CC(=O)[O-]	2521573	169340346	/nfs/dbraw/zinc/34/03/46/169340346.db2.gz	JYXGIOKAKDAARW-UHFFFAOYSA-N	-2	1	177.156	-1.550	50	0	in-vitro	AAAAML
O=C([O-])CNC[P@@](=O)([O-])O	3872713	169341284	/nfs/dbraw/zinc/34/12/84/169341284.db2.gz	XDDAORKBJWWYJS-UHFFFAOYSA-N	-2	1	169.073	-1.204	50	0	in-vivo	AAAAML
O=C([O-])CO[N-]C(=O)C(=O)O	39058365	169342021	/nfs/dbraw/zinc/34/20/21/169342021.db2.gz	ULMSKWWJTAFUAU-UHFFFAOYSA-N	-2	1	163.085	-1.797	50	0	in-vitro	AAAAML
O=C([O-])[C@@H](O)[P@](=O)([O-])O	31302390	169346222	/nfs/dbraw/zinc/34/62/22/169346222.db2.gz	UTCHNZLBVKHYKC-REOHCLBHSA-N	-2	1	156.030	-1.433	50	0	in-vitro	AAAAML
O=C([O-])[C@@H](O)P(=O)([O-])[O-]	31302390	169346223	/nfs/dbraw/zinc/34/62/23/169346223.db2.gz	UTCHNZLBVKHYKC-REOHCLBHSA-N	-3	1	156.030	-1.433	50	0	in-vitro	AAAAML
O=C([O-])[C@@H]1C[C@H](P(=O)([O-])[O-])C[NH2+]1	35034910	169349857	/nfs/dbraw/zinc/34/98/57/169349857.db2.gz	MWVNKKCYYJUERJ-IMJSIDKUSA-N	-2	1	195.111	-1.021	50	0		AAAAML
O=C([O-])[C@H](O)[P@](=O)([O-])O	5783646	169351139	/nfs/dbraw/zinc/35/11/39/169351139.db2.gz	UTCHNZLBVKHYKC-UWTATZPHSA-N	-2	1	156.030	-1.433	50	0	in-vitro	AAAAML
O=C([O-])[C@H](O)P(=O)([O-])[O-]	5783646	169351141	/nfs/dbraw/zinc/35/11/41/169351141.db2.gz	UTCHNZLBVKHYKC-UWTATZPHSA-N	-3	1	156.030	-1.433	50	0	in-vitro	AAAAML
O=C([O-])Cc1cc(=O)[n-][nH]c1=O	1719011	171002419	/nfs/dbraw/zinc/00/24/19/171002419.db2.gz	MIXPCRZDRIRXJD-UHFFFAOYSA-N	-2	1	170.124	-1.310	50	0	in-vitro	AAAAML
O=C([O-])[C@@H]1C[C@@H](P(=O)([O-])[O-])C[NH2+]1	206240649	526289010	/nfs/dbraw/zinc/28/90/10/526289010.db2.gz	MWVNKKCYYJUERJ-DMTCNVIQSA-N	-2	1	195.111	-1.021	50	0		AAAAML
O=C([O-])[C@H]1C[C@H](P(=O)([O-])[O-])C[NH2+]1	206240683	526334341	/nfs/dbraw/zinc/33/43/41/526334341.db2.gz	MWVNKKCYYJUERJ-IUYQGCFVSA-N	-2	1	195.111	-1.021	50	0		AAAAML
O=C([O-])[C@H]1C[C@@H](P(=O)([O-])[O-])C[NH2+]1	206240710	526334490	/nfs/dbraw/zinc/33/44/90/526334490.db2.gz	MWVNKKCYYJUERJ-QWWZWVQMSA-N	-2	1	195.111	-1.021	50	0		AAAAML
O=C([O-])COc1nc(=O)[nH]c(=O)[n-]1	147227344	538003120	/nfs/dbraw/zinc/00/31/20/538003120.db2.gz	UMNCDHMPZYSSGV-UHFFFAOYSA-N	-2	1	187.111	-2.078	50	0		AAAAML
O=c1ccc(=O)n(-c2nnn[n-]2)[n-]1	6622460	1423367586	/nfs/dbraw/zinc/36/75/86/1423367586.db2.gz	UGLVEZXOKSKROV-UHFFFAOYSA-N	-2	1	180.127	-1.549	50	0		AAAAML
O=C([O-])C=CC(=O)Nc1nnn[n-]1	6191571	1424065967	/nfs/dbraw/zinc/06/59/67/1424065967.db2.gz	IHPLRRVCRLLMKI-UPHRSURJSA-N	-2	1	183.127	-1.221	50	0		AAAAML
N[C@@H](C(=O)[O-])c1nn[n-]n1	3995585	1424502049	/nfs/dbraw/zinc/50/20/49/1424502049.db2.gz	UKBRUIZWQZHXFL-PVQJCKRUSA-N	-2	1	143.106	-1.716	50	0	in-vitro	AAAAML
N[C@@H](C(=O)[O-])c1nnn[n-]1	3995585	1424502053	/nfs/dbraw/zinc/50/20/53/1424502053.db2.gz	UKBRUIZWQZHXFL-PVQJCKRUSA-N	-2	1	143.106	-1.716	50	0	in-vitro	AAAAML
O=C([O-])Cc1nnn[n-]1	5178980	1424628206	/nfs/dbraw/zinc/62/82/06/1424628206.db2.gz	JUNAPQMUUHSYOV-UHFFFAOYSA-N	-2	1	128.091	-1.173	50	0	in-vitro	AAAAML