smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc2c(c1)[C@@H](SCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1CO2	ZINC000002001644	561680348	/nfs/dbraw/zinc/68/03/48/561680348.db2.gz	XBRIDFAVLXDLOQ-QFIPXVFZSA-N	-2	3	500.554	3.987	1	5		KHBFHL
O=C([O-])c1ccc2c(c1)[C@H](SCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1CO2	ZINC000003923147	561686144	/nfs/dbraw/zinc/68/61/44/561686144.db2.gz	XBRIDFAVLXDLOQ-JOCHJYFZSA-N	-2	3	500.554	3.987	1	5		KHBFHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(NNC(=S)NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)cc1	ZINC000027748994	561883112	/nfs/dbraw/zinc/88/31/12/561883112.db2.gz	RGFJSJMNIKMQHW-UHFFFAOYSA-N	-2	3	554.610	3.609	1	5		KHBFHL
NC(=[NH2+])c1ccc2nc(-c3cc(C(CC(=O)[O-])CC(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])[nH]c2c1	ZINC000028572318	561939958	/nfs/dbraw/zinc/93/99/58/561939958.db2.gz	MRTVUCFEZZIYDQ-UHFFFAOYSA-N	-2	3	503.471	3.828	1	5		KHBFHL
NC(=[NH2+])c1ccc2[nH]c(-c3cc(C(CC(=O)[O-])CC(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])nc2c1	ZINC000028572318	561939957	/nfs/dbraw/zinc/93/99/57/561939957.db2.gz	MRTVUCFEZZIYDQ-UHFFFAOYSA-N	-2	3	503.471	3.828	1	5		KHBFHL
NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CCC(=O)[O-])C(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])[nH]c2c1	ZINC000034804674	562043217	/nfs/dbraw/zinc/04/32/17/562043217.db2.gz	LSPZCEAEYJKRPW-MRXNPFEDSA-N	-2	3	503.471	3.828	1	5		KHBFHL
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CCC(=O)[O-])C(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])nc2c1	ZINC000034804674	562043216	/nfs/dbraw/zinc/04/32/16/562043216.db2.gz	LSPZCEAEYJKRPW-MRXNPFEDSA-N	-2	3	503.471	3.828	1	5		KHBFHL
NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CCC(=O)[O-])C(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])[nH]c2c1	ZINC000034804677	562043133	/nfs/dbraw/zinc/04/31/33/562043133.db2.gz	LSPZCEAEYJKRPW-INIZCTEOSA-N	-2	3	503.471	3.828	1	5		KHBFHL
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CCC(=O)[O-])C(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3[O-])nc2c1	ZINC000034804677	562043132	/nfs/dbraw/zinc/04/31/32/562043132.db2.gz	LSPZCEAEYJKRPW-INIZCTEOSA-N	-2	3	503.471	3.828	1	5		KHBFHL
CC(=O)c1ccc(C=CC(=O)Nc2ccc(-c3nc4c(cc([N+](=O)[O-])cc4CC(=O)[O-])n3[O-])cc2)cn1	ZINC000049035299	562663572	/nfs/dbraw/zinc/66/35/72/562663572.db2.gz	QRPSHHMUHCVWAC-YCRREMRBSA-N	-2	3	501.455	3.725	1	5		KHBFHL
CC(C)C[C@@H](N)C(=O)N[C@@H]1Cc2ccc(c([N+](=O)[O-])c2)Oc2cc(cc(Oc3ccc([N+](=O)[O-])cc3)c2[O-])[C@H]([C@@H](O)C(=O)[O-])NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000095539921	562755394	/nfs/dbraw/zinc/75/53/94/562755394.db2.gz	JJKIOZAIZKLREB-BBUSRFBRSA-N	-2	3	800.778	3.538	1	5		KHBFHL
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cn(CCO)c2c(cc([O-])c3ncccc32)c1=O	ZINC000103289380	562824009	/nfs/dbraw/zinc/82/40/09/562824009.db2.gz	RXDZEVYIYOCYMD-UHFFFAOYSA-N	-2	3	565.007	3.954	1	5		KHBFHL
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cn(CCO)c2c(cc([O-])c3ncccc32)c1=O	ZINC000103289382	562823989	/nfs/dbraw/zinc/82/39/89/562823989.db2.gz	OUTJNKJUSAKCSW-UHFFFAOYSA-N	-2	3	565.007	3.954	1	5		KHBFHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cn(CCO)c3c4cccnc4c([O-])cc3c2=O)cc1	ZINC000103289418	562824015	/nfs/dbraw/zinc/82/40/15/562824015.db2.gz	WZDDMLRASPVSML-UHFFFAOYSA-N	-2	3	544.589	3.609	1	5		KHBFHL
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cn(CCO)c4c5cccnc5c([O-])cc4c3=O)cc2)c1	ZINC000103290670	562824153	/nfs/dbraw/zinc/82/41/53/562824153.db2.gz	FXCKQTULPSFSOC-UHFFFAOYSA-N	-2	3	544.589	3.609	1	5		KHBFHL
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cn(CCO)c4c5cccnc5c([O-])cc4c3=O)cc2)cc1	ZINC000103290672	562824158	/nfs/dbraw/zinc/82/41/58/562824158.db2.gz	HHNBLPQNIKQTHQ-UHFFFAOYSA-N	-2	3	544.589	3.609	1	5		KHBFHL
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cn(CCO)c4c5cccnc5c([O-])cc4c3=O)cc2)c1	ZINC000103290675	562824142	/nfs/dbraw/zinc/82/41/42/562824142.db2.gz	KQPKICUWNNARCL-UHFFFAOYSA-N	-2	3	558.616	3.918	1	5		KHBFHL