smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNS(=O)(=O)c1ccc(N(C)CC(=O)N2CCNCC2)c([N+](=O)[O-])c1	ZINC000261684178	243280742	/nfs/dbraw/zinc/28/07/42/243280742.db2.gz	MYYYQSSSHOPFSN-UHFFFAOYSA-N	0	1	371.419	-0.629	10	5		FBBEMN
CN(CC(=O)N1CCNCC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000261843497	243286990	/nfs/dbraw/zinc/28/69/90/243286990.db2.gz	IXKPFLIFYWVAOV-UHFFFAOYSA-N	0	1	356.404	-0.134	10	5		FBBEMN
COC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000262036493	536658759	/nfs/dbraw/zinc/65/87/59/536658759.db2.gz	FRDXDXHFLWUMDZ-CYBMUJFWSA-N	0	1	372.403	-0.599	10	5		FBBEMN
COC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000262036497	243295657	/nfs/dbraw/zinc/29/56/57/243295657.db2.gz	FRDXDXHFLWUMDZ-ZDUSSCGKSA-N	0	1	372.403	-0.599	10	5		FBBEMN
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000262854931	243338745	/nfs/dbraw/zinc/33/87/45/243338745.db2.gz	XXXYMVNPPGRVNX-UHFFFAOYSA-N	0	1	352.347	-0.190	10	5		FBBEMN
COC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000263232817	536659107	/nfs/dbraw/zinc/65/91/07/536659107.db2.gz	INWFANAFSLKIDM-CYBMUJFWSA-N	0	1	372.403	-0.599	10	5		FBBEMN
COC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000263232829	243345375	/nfs/dbraw/zinc/34/53/75/243345375.db2.gz	INWFANAFSLKIDM-ZDUSSCGKSA-N	0	1	372.403	-0.599	10	5		FBBEMN
COC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000263248113	536658816	/nfs/dbraw/zinc/65/88/16/536658816.db2.gz	NQZNDJRFWIABIS-LLVKDONJSA-N	0	1	372.403	-0.599	10	5		FBBEMN
COC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000263248115	243349725	/nfs/dbraw/zinc/34/97/25/243349725.db2.gz	NQZNDJRFWIABIS-NSHDSACASA-N	0	1	372.403	-0.599	10	5		FBBEMN
COC[C@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000263257553	536862247	/nfs/dbraw/zinc/86/22/47/536862247.db2.gz	RKDSPNWXWLTPDP-JTQLQIEISA-N	0	1	360.392	-0.500	10	5		FBBEMN
COC[C@@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000263257554	243348866	/nfs/dbraw/zinc/34/88/66/243348866.db2.gz	RKDSPNWXWLTPDP-SNVBAGLBSA-N	0	1	360.392	-0.500	10	5		FBBEMN