smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C(C(=O)N2CC[NH+](C)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1	ZINC000054274513	205140105	/nfs/dbraw/zinc/14/01/05/205140105.db2.gz	HPRZBAOGVFZUHB-INIZCTEOSA-N	1	1	383.412	1.249	40	5		GDBBMO
CC1=C(C(=O)N2CC[NH+](C)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1	ZINC000054274515	570467789	/nfs/dbraw/zinc/46/77/89/570467789.db2.gz	HPRZBAOGVFZUHB-MRXNPFEDSA-N	1	1	383.412	1.249	40	5		GDBBMO
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1	ZINC000047266676	570950514	/nfs/dbraw/zinc/95/05/14/570950514.db2.gz	XELQJDDCTCWNNF-UHFFFAOYSA-N	1	1	391.449	1.906	40	5		GDBBMO
CCOC(=O)C(C(=O)Nc1ccccc1)=C(N)[NH2+]Nc1ccccc1[N+](=O)[O-]	ZINC000016681968	207075826	/nfs/dbraw/zinc/07/58/26/207075826.db2.gz	LDILGOQHWSKHRG-FOCLMDBBSA-N	1	1	385.380	1.883	40	5		GDBBMO
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1	ZINC000224558493	570496924	/nfs/dbraw/zinc/49/69/24/570496924.db2.gz	PTVWQUYIFAZIMP-UHFFFAOYSA-N	1	1	391.449	1.906	40	5		GDBBMO
COCCn1ccc2nc3ccn(CCC[NH+]4CCOCC4)c(=O)c3cc2c1=O	ZINC000038829216	570584197	/nfs/dbraw/zinc/58/41/97/570584197.db2.gz	YBQHCQMBKJDOGA-UHFFFAOYSA-N	1	1	398.463	1.080	40	5		GDBBMO
Cc1n[nH]c(-n2ccc3nc4ccn(CCC[NH+](C)C)c(=O)c4cc3c2=O)n1	ZINC000040372876	570598523	/nfs/dbraw/zinc/59/85/23/570598523.db2.gz	ZAXSAODYOSVIDK-UHFFFAOYSA-N	1	1	379.424	1.079	40	5		GDBBMO
O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000017333536	210209437	/nfs/dbraw/zinc/20/94/37/210209437.db2.gz	GLEBSNRSQQDOIO-UHFFFAOYSA-N	1	1	391.449	1.906	40	5		GDBBMO
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1	ZINC000194348895	570988963	/nfs/dbraw/zinc/98/89/63/570988963.db2.gz	CNSQESOJSRWYOT-UHFFFAOYSA-N	1	1	391.449	1.906	40	5		GDBBMO
[NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000225245757	570558852	/nfs/dbraw/zinc/55/88/52/570558852.db2.gz	JNDGOWKHQIVDJP-UHFFFAOYSA-N	1	1	384.396	1.883	40	5		GDBBMO
N=C(Nc1ncccc1[N+](=O)[O-])N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000225245870	570558839	/nfs/dbraw/zinc/55/88/39/570558839.db2.gz	POGSFMLCMRUQNV-UHFFFAOYSA-N	1	1	375.433	1.142	40	5		GDBBMO