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)c1ccccc1Nc1c2ccccc2[nH+]c2ccccc21	ZINC000005314917	181228664	/nfs/dbraw/zinc/22/86/64/181228664.db2.gz	XQYXUACMFMBAOZ-UHFFFAOYSA-N	1	0	312.416	6.255	1	10		DKCFRO
CCNc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000005316680	181228724	/nfs/dbraw/zinc/22/87/24/181228724.db2.gz	PCCJXCJNMRZFPH-UHFFFAOYSA-N	1	0	313.404	5.563	1	10		DKCFRO
O=[N+]([O-])c1ccc2[nH+]c3ccccc3c(Nc3ccccc3)c2c1	ZINC000026845006	182454884	/nfs/dbraw/zinc/45/48/84/182454884.db2.gz	MKNWLDAWGXMRQD-UHFFFAOYSA-N	1	0	315.332	5.040	1	10		DKCFRO
CCC[N+](C)(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1	ZINC000036381227	182820748	/nfs/dbraw/zinc/82/07/48/182820748.db2.gz	ZSEIFCZNFBMEOO-FMIVXFBMSA-N	1	0	317.456	5.382	1	10		DKCFRO
Cc1cc([N+](C)(C)C)cc(C)c1/C=C/c1ccnc2ccccc12	ZINC000036382712	717125681	/nfs/dbraw/zinc/12/56/81/717125681.db2.gz	TUOCBSUGZZATBM-ZHACJKMWSA-N	1	0	317.456	5.219	1	10		DKCFRO
Cc1cccc2c(NCCc3cccs3)c3ccccc3[nH+]c12	ZINC000045323178	183497464	/nfs/dbraw/zinc/49/74/64/183497464.db2.gz	WXIVWPSTGOOJFK-UHFFFAOYSA-N	1	0	318.445	5.413	1	10		DKCFRO
COc1ccc2[nH+]c3ccccc3c(NCc3ccccc3)c2c1	ZINC000096915352	185391451	/nfs/dbraw/zinc/39/14/51/185391451.db2.gz	PCJVBIUUOTUXPR-UHFFFAOYSA-N	1	0	314.388	5.009	1	10		DKCFRO
Clc1ccc2c(c1)[nH+]c1ccccc1c2NCc1ccccc1	ZINC000096915353	185391504	/nfs/dbraw/zinc/39/15/04/185391504.db2.gz	CZKCVLLRRANEBM-UHFFFAOYSA-N	1	0	318.807	5.654	1	10		DKCFRO
CCN(CC)c1ccc(/C=C/C2=[NH+]c3ccccc3C2(C)C)cc1	ZINC000096934731	185392685	/nfs/dbraw/zinc/39/26/85/185392685.db2.gz	ZDGMHVQZSNAHBQ-DTQAZKPQSA-N	1	0	318.464	5.610	1	10		DKCFRO
CC[n+]1c(/C=C/c2c[nH]c3ccccc23)ccc2cc(C)ccc21	ZINC000004307109	181096137	/nfs/dbraw/zinc/09/61/37/181096137.db2.gz	IENIAGMMOGNSSM-UHFFFAOYSA-O	1	0	313.424	5.107	3	10		DKCFRO