smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CC1CCCCC1)NC(=O)/C=C/C(=O)[O-]	ZINC000028371130	561918298	/nfs/dbraw/zinc/91/82/98/561918298.db2.gz	ZAUXSCWLOFKDLR-OBWQVAEMSA-N	-1	2	673.808	3.926	1	5		KHBFLM
O=C(c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(F)(F)[P@@](=O)([O-])O	ZINC000028528662	561933346	/nfs/dbraw/zinc/93/33/46/561933346.db2.gz	CFHYGXLSXLRHJZ-UHFFFAOYSA-N	-1	2	540.437	3.939	1	5		KHBFLM
O=C(c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(F)(F)[P@](=O)([O-])O	ZINC000028528662	561933343	/nfs/dbraw/zinc/93/33/43/561933343.db2.gz	CFHYGXLSXLRHJZ-UHFFFAOYSA-N	-1	2	540.437	3.939	1	5		KHBFLM
Cc1cn([C@H]2C=C[C@@H](COC(=O)CCNc3ccc(-c4c5ccc(O)cc5oc5cc(=O)ccc4-5)c(C(=O)[O-])c3)O2)c(=O)[nH]c1=O	ZINC000072132832	562726979	/nfs/dbraw/zinc/72/69/79/562726979.db2.gz	LBTLSXYCUHUQMY-RBTNQOKQSA-N	-1	2	625.590	3.626	1	5		KHBFLM
O=C1[C@@H]2C(c3cccc([N+](=O)[O-])c3)=NO[C@@H]2C(=O)N1c1ccc(Cc2ccc(N3C(=O)[C@H]4C(c5cccc([N+](=O)[O-])c5)=NOC4=C3[O-])cc2)cc1	ZINC000150632918	562848971	/nfs/dbraw/zinc/84/89/71/562848971.db2.gz	YTZJGIKAFJBQHL-AKAXLSRLSA-N	-1	2	686.593	3.679	1	5		KHBFLM
NS(=O)(=O)c1ccc(OCCNC(=S)Nc2ccc(-c3c4ccc(O)cc4oc4cc(=O)ccc3-4)c(C(=O)[O-])c2)cc1	ZINC000299841370	562888851	/nfs/dbraw/zinc/88/88/51/562888851.db2.gz	ZLTMXEAUQWLLGT-UHFFFAOYSA-N	-1	2	605.650	3.981	1	5		KHBFLM
NS(=O)(=O)c1cccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(O)cc5oc5cc(=O)ccc4-5)c(C(=O)[O-])c3)nn2)c1	ZINC000653803658	562913562	/nfs/dbraw/zinc/91/35/62/562913562.db2.gz	LNCLRLKBMUZUDO-UHFFFAOYSA-N	-1	2	642.675	3.683	1	5		KHBFLM