smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc([N+](=O)[O-])ccc4[O-])c3O)[nH]c2c1	ZINC000014956768	561747870	/nfs/dbraw/zinc/74/78/70/561747870.db2.gz	QULCDCSDZRDMGW-CYBMUJFWSA-N	-2	1	505.443	3.143	1	5		KGBFML
NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc([N+](=O)[O-])ccc4[O-])c3O)[nH]c2c1	ZINC000014956772	561747851	/nfs/dbraw/zinc/74/78/51/561747851.db2.gz	QULCDCSDZRDMGW-ZDUSSCGKSA-N	-2	1	505.443	3.143	1	5		KGBFML
CC(=O)Oc1cc([O-])c2c(=O)cc(OC(C)=O)c3c4c(OC(C)=O)cc(=O)c5c([O-])cc(OC(C)=O)c(c1c23)c54	ZINC000026647652	561807759	/nfs/dbraw/zinc/80/77/59/561807759.db2.gz	NNDBHWXHURJNHX-UHFFFAOYSA-N	-2	1	546.440	3.008	1	5		KGBFML
COc1c([O-])c2c(=O)cc3c4c5c(cc(O)c6oc(C(=O)[O-])c(C[C@@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	ZINC000049785378	562684026	/nfs/dbraw/zinc/68/40/26/562684026.db2.gz	DUOZCOVIKPXSFY-VHSXEESVSA-N	-2	1	536.489	3.384	1	5		KGBFML
COc1c([O-])c2c(=O)cc3c4c5c(cc(O)c6oc(C(=O)[O-])c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000049785379	562683990	/nfs/dbraw/zinc/68/39/90/562683990.db2.gz	DUOZCOVIKPXSFY-NXEZZACHSA-N	-2	1	536.489	3.384	1	5		KGBFML
COc1c([O-])c2c(=O)cc3c4c5c(cc(O)c6oc(C(=O)[O-])c(C[C@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	ZINC000049785380	562684001	/nfs/dbraw/zinc/68/40/01/562684001.db2.gz	DUOZCOVIKPXSFY-UWVGGRQHSA-N	-2	1	536.489	3.384	1	5		KGBFML
COc1c([O-])c2c(=O)cc3c4c5c(cc(O)c6oc(C(=O)[O-])c(C[C@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000049785381	562684006	/nfs/dbraw/zinc/68/40/06/562684006.db2.gz	DUOZCOVIKPXSFY-ZJUUUORDSA-N	-2	1	536.489	3.384	1	5		KGBFML
O=C(Cc1cc(=O)oc2cc([O-])ccc12)N[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NCCCNC(=O)c1c2ccccc2[nH]c2cc(O)cc(=O)c1-2	ZINC000095608378	562783524	/nfs/dbraw/zinc/78/35/24/562783524.db2.gz	HGIZLXNDEHKABI-GDLZYMKVSA-N	-3	1	756.661	3.289	1	5		KGBFML
O=C(Cc1cc(=O)oc2cc([O-])ccc12)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NCCCNC(=O)c1c2ccccc2[nH]c2cc(O)cc(=O)c1-2	ZINC000095608379	562783509	/nfs/dbraw/zinc/78/35/09/562783509.db2.gz	HGIZLXNDEHKABI-LJAQVGFWSA-N	-3	1	756.661	3.289	1	5		KGBFML
Cc1cn([C@H]2C[C@H](n3nncc3-c3cc4ccccc4c4ccccc34)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000150525126	562843741	/nfs/dbraw/zinc/84/37/41/562843741.db2.gz	LGLPFFLSTPLONG-QPTUXGOLSA-N	-3	1	709.438	3.282	1	5		KGBFML
Cc1cn([C@H]2C[C@H](n3nncc3-c3cc4ccccc4c4ccccc34)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000150525126	562843740	/nfs/dbraw/zinc/84/37/40/562843740.db2.gz	LGLPFFLSTPLONG-QPTUXGOLSA-N	-3	1	709.438	3.282	1	5		KGBFML