smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2[nH+]ccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2c(OC)c1	ZINC000045298836	205118345	/nfs/dbraw/zinc/11/83/45/205118345.db2.gz	DZWWFFRGNOUDLO-UHFFFAOYSA-N	1	1	354.318	3.379	1	5		FGBFMO
Cc1[nH+]ccn1-c1nc(N(C)Cc2ccccc2)nc(Cl)c1[N+](=O)[O-]	ZINC000040567768	205073603	/nfs/dbraw/zinc/07/36/03/205073603.db2.gz	YWPORRFWAHKZNX-UHFFFAOYSA-N	1	1	358.789	3.169	1	5		FGBFMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1	ZINC000005049228	132373736	/nfs/dbraw/zinc/37/37/36/132373736.db2.gz	WOGZFCMBPXJNFI-UHFFFAOYSA-N	1	1	374.828	3.252	3	5	in-vitro	FGBFMO
CCC(=O)N1[C@@H]2CC[C@H]1[C@@H]1CC[C@H]2[N@@H+]1C/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000096299326	222112978	/nfs/dbraw/zinc/11/29/78/222112978.db2.gz	PWPNUZUDFFUQTC-KUIFWKRLSA-N	1	1	355.438	3.224	1	5		FGBFMO
C=C1[NH+]=C(SC)N[C@@H](c2cc([N+](=O)[O-])ccc2SC)C1C(=O)OC	ZINC000013740166	211056787	/nfs/dbraw/zinc/05/67/87/211056787.db2.gz	ZEHBIHWWQHGKFZ-ZDUSSCGKSA-N	1	1	367.452	3.127	1	5		FGBFMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cccc(Cl)c2)CC1	ZINC000095588890	136151078	/nfs/dbraw/zinc/15/10/78/136151078.db2.gz	QQMREAFPDZRCQL-UHFFFAOYSA-N	1	1	374.828	3.252	1	5		FGBFMO
OCCC[NH+]1CCN(c2c3[nH]c4ccccc4c3nc3ccccc32)CC1	ZINC000095571741	132215526	/nfs/dbraw/zinc/21/55/26/132215526.db2.gz	JVZAAUUSTCCRLK-UHFFFAOYSA-N	1	1	360.461	3.374	1	5		FGBFMO
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)ccc1F	ZINC000095590501	132215853	/nfs/dbraw/zinc/21/58/53/132215853.db2.gz	QHEDRWKYLRDRMG-UHFFFAOYSA-N	1	1	372.400	3.046	1	5		FGBFMO
COc1cc2[nH+]ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2c(OC)c1	ZINC000045303346	205120495	/nfs/dbraw/zinc/12/04/95/205120495.db2.gz	GYBONDVMQBWJNH-UHFFFAOYSA-N	1	1	354.318	3.379	1	5		FGBFMO