smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2ccc3ccc(CNc4ccc5c(c4)sn([C@@H](CCC(=O)[O-])C(=O)[O-])c5=O)cc3c2c(=O)[nH]1	ZINC000013735351	561725602	/nfs/dbraw/zinc/72/56/02/561725602.db2.gz	BYMZVHOVULHHSA-FQEVSTJZSA-N	-2	0	518.551	3.864	1	5		KHBFRL
O=C([O-])CCc1cc2c(cc1[O-])oc1cc(=O)c(CCC(=O)[O-])cc-1c2-c1cccc(C(=O)[O-])c1C(=O)[O-]	ZINC000026838721	561825016	/nfs/dbraw/zinc/82/50/16/561825016.db2.gz	RLGXKSZPRPXIPH-UHFFFAOYSA-N	-5	0	520.446	3.701	1	5		KHBFRL
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	561918297	/nfs/dbraw/zinc/91/82/97/561918297.db2.gz	ZAUXSCWLOFKDLR-OBWQVAEMSA-N	-2	0	673.808	3.926	1	5		KHBFRL
O=C(c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(F)(F)P(=O)([O-])[O-]	ZINC000028528662	561933342	/nfs/dbraw/zinc/93/33/42/561933342.db2.gz	CFHYGXLSXLRHJZ-UHFFFAOYSA-N	-2	0	540.437	3.939	1	5		KHBFRL
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000029557080	562032284	/nfs/dbraw/zinc/03/22/84/562032284.db2.gz	ZQDODLCBWIVPHE-SVBPBHIXSA-N	-3	0	678.676	3.966	1	5		KHBFRL
O=[N+]([O-])c1ccc(CO[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)CCCC(F)(F)P(=O)([O-])[O-])cc1	ZINC000043285227	562647371	/nfs/dbraw/zinc/64/73/71/562647371.db2.gz	RTBUZHBOPNAZON-UHFFFAOYSA-N	-4	0	519.170	3.947	1	5		KHBFRL
Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc5cccs5)C(=O)[O-])c(F)c4)cc3c2c(=O)[nH]1	ZINC000049604911	562665083	/nfs/dbraw/zinc/66/50/83/562665083.db2.gz	RGYTVXGUIYBZMT-SVBPBHIXSA-N	-2	0	659.696	3.973	1	5		KHBFRL
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	562726978	/nfs/dbraw/zinc/72/69/78/562726978.db2.gz	LBTLSXYCUHUQMY-RBTNQOKQSA-N	-2	0	625.590	3.626	1	5		KHBFRL
CCOC(=O)c1c([O-])c(C(c2ccc(Cl)c([N+](=O)[O-])c2)c2c([O-])c(C(=O)OCC)c(N3CCCC3)[nH]c2=O)c(=O)[nH]c1N1CCCC1	ZINC000082182101	562742040	/nfs/dbraw/zinc/74/20/40/562742040.db2.gz	MUYXATRAUIMILY-UHFFFAOYSA-N	-2	0	672.091	3.770	1	5		KHBFRL
O=C([O-])CN1CCOCCOCCOCCOc2cc(-c3c4cc(F)c([O-])cc4oc4cc(=O)c(F)cc3-4)ccc21	ZINC000084672330	562748766	/nfs/dbraw/zinc/74/87/66/562748766.db2.gz	YUYQJHWBLAFEMN-UHFFFAOYSA-N	-2	0	571.529	3.882	1	5		KHBFRL
O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)NCC=Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000095589305	562774925	/nfs/dbraw/zinc/77/49/25/562774925.db2.gz	OYDUNSQXMNVYBT-ZHYHHUQWSA-N	-4	0	793.552	3.578	1	5		KHBFRL
O=C1[C@@H]2C(c3ccccc3[N+](=O)[O-])=NOC2=C([O-])N1c1ccc(Cc2ccc(N3C(=O)[C@H]4C(c5ccccc5[N+](=O)[O-])=NOC4=C3[O-])cc2)cc1	ZINC000150601965	562847297	/nfs/dbraw/zinc/84/72/97/562847297.db2.gz	LNNAURLMTULNKG-AKAXLSRLSA-N	-2	0	686.593	3.679	1	5		KHBFRL
NS(=O)(=O)c1ccc(OCCNC(=S)Nc2ccc(-c3c4ccc([O-])cc4oc4cc(=O)ccc3-4)c(C(=O)[O-])c2)cc1	ZINC000299841370	562888850	/nfs/dbraw/zinc/88/88/50/562888850.db2.gz	ZLTMXEAUQWLLGT-UHFFFAOYSA-N	-2	0	605.650	3.981	1	5		KHBFRL
CC(C)COc1cc(C(=O)N(CC(=O)[O-])CC(=O)[O-])ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)c1	ZINC000299850961	562890677	/nfs/dbraw/zinc/89/06/77/562890677.db2.gz	DKKCHKCAUNBGNU-UHFFFAOYSA-N	-2	0	545.545	3.528	1	5		KHBFRL
NS(=O)(=O)c1cccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc([O-])cc5oc5cc(=O)ccc4-5)c(C(=O)[O-])c3)nn2)c1	ZINC000653803658	562913561	/nfs/dbraw/zinc/91/35/61/562913561.db2.gz	LNCLRLKBMUZUDO-UHFFFAOYSA-N	-2	0	642.675	3.683	1	5		KHBFRL