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-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2ccc(F)cc2)n1	ZINC000426730103	1126084090	/nfs/dbraw/zinc/08/40/90/1126084090.db2.gz	JLYSWSAWQYBBGZ-LJQANCHMSA-N	-1	3	440.456	4.124	20	5		IIBDHM
Cc1cc(C)n(C[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000426722927	1126082738	/nfs/dbraw/zinc/08/27/38/1126082738.db2.gz	JKVFZXWQIFPTNU-KRWDZBQOSA-N	-1	3	444.875	4.097	20	5		IIBDHM
Cc1cc(C)n(C[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000426722928	1126082688	/nfs/dbraw/zinc/08/26/88/1126082688.db2.gz	JKVFZXWQIFPTNU-QGZVFWFLSA-N	-1	3	444.875	4.097	20	5		IIBDHM
Cc1cc(C)n(C[C@@H](NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000426737863	1126085170	/nfs/dbraw/zinc/08/51/70/1126085170.db2.gz	QXQKFQVBZOBWFS-LJQANCHMSA-N	-1	3	440.525	4.111	20	5		IIBDHM
Cc1cc(C)n(C[C@H](NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000426737862	1126085203	/nfs/dbraw/zinc/08/52/03/1126085203.db2.gz	QXQKFQVBZOBWFS-IBGZPJMESA-N	-1	3	440.525	4.111	20	5		IIBDHM
O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2ccc(F)cc2)n1	ZINC000426730102	1126084081	/nfs/dbraw/zinc/08/40/81/1126084081.db2.gz	JLYSWSAWQYBBGZ-IBGZPJMESA-N	-1	3	440.456	4.124	20	5		IIBDHM
O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2ccsc2)n1	ZINC000426732091	1126084236	/nfs/dbraw/zinc/08/42/36/1126084236.db2.gz	RJKIVPTYMWCBGB-QGZVFWFLSA-N	-1	3	428.495	4.047	20	5		IIBDHM
O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2cccs2)n1	ZINC000426739195	1126085410	/nfs/dbraw/zinc/08/54/10/1126085410.db2.gz	AMTIKVFMGPDVQK-INIZCTEOSA-N	-1	3	428.495	4.047	20	5		IIBDHM
O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2ccsc2)n1	ZINC000426732090	1126084275	/nfs/dbraw/zinc/08/42/75/1126084275.db2.gz	RJKIVPTYMWCBGB-KRWDZBQOSA-N	-1	3	428.495	4.047	20	5		IIBDHM
O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000426828206	1126093102	/nfs/dbraw/zinc/09/31/02/1126093102.db2.gz	KKAROSOUCUSKAU-LJQANCHMSA-N	-1	3	440.456	4.124	20	5		IIBDHM
Cc1ccc(Sc2ccc(CN[C@@H](Cn3cc(Cl)cn3)C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC001320872317	1126170560	/nfs/dbraw/zinc/17/05/60/1126170560.db2.gz	MDBKAEAWSUJQPY-KRWDZBQOSA-N	-1	3	446.916	4.147	20	5		IIBDHM
Cc1ccc(-c2nc(CN[C@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])cs2)cc1	ZINC000426744201	1126086125	/nfs/dbraw/zinc/08/61/25/1126086125.db2.gz	WCYFXUIRNRODRK-HXUWFJFHSA-N	-1	3	436.493	4.294	20	5		IIBDHM
O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2cccs2)n1	ZINC000426739196	1126085481	/nfs/dbraw/zinc/08/54/81/1126085481.db2.gz	AMTIKVFMGPDVQK-MRXNPFEDSA-N	-1	3	428.495	4.047	20	5		IIBDHM
O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000426822723	1126092793	/nfs/dbraw/zinc/09/27/93/1126092793.db2.gz	FHWDPHJRJPFGPN-QGZVFWFLSA-N	-1	3	449.435	4.105	20	5		IIBDHM
O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000426822722	1126092827	/nfs/dbraw/zinc/09/28/27/1126092827.db2.gz	FHWDPHJRJPFGPN-KRWDZBQOSA-N	-1	3	449.435	4.105	20	5		IIBDHM
O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000426828204	1126093075	/nfs/dbraw/zinc/09/30/75/1126093075.db2.gz	KKAROSOUCUSKAU-IBGZPJMESA-N	-1	3	440.456	4.124	20	5		IIBDHM
Cc1ccc(Sc2ccc(CN[C@H](Cn3cc(Cl)cn3)C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC001320872318	1126170577	/nfs/dbraw/zinc/17/05/77/1126170577.db2.gz	MDBKAEAWSUJQPY-QGZVFWFLSA-N	-1	3	446.916	4.147	20	5		IIBDHM
Cc1ccc(-c2nc(CN[C@@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])cs2)cc1	ZINC000426744198	1126086163	/nfs/dbraw/zinc/08/61/63/1126086163.db2.gz	WCYFXUIRNRODRK-FQEVSTJZSA-N	-1	3	436.493	4.294	20	5		IIBDHM