smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(C#N)c2c1[nH]cnc2=N[O-]	ZINC000038882811	183011888	/nfs/dbraw/zinc/01/18/88/183011888.db2.gz	FYALEAVVCHBVQN-NHULRPGXSA-N	-1	3	321.293	-0.894	1	30		DBEFHM
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[O-])cc1	ZINC000040954891	183151275	/nfs/dbraw/zinc/15/12/75/183151275.db2.gz	YESMHTZZRUQNPZ-KOLCDFICSA-N	-1	3	300.336	-0.376	1	30		DBEFHM
O=C(Cc1ccc([N+](=O)[O-])cc1)On1c(=O)[n-]cc(F)c1=O	ZINC000040520581	183090652	/nfs/dbraw/zinc/09/06/52/183090652.db2.gz	RCESJSKHDXPVNG-UHFFFAOYSA-N	-1	3	309.209	-0.218	1	30		DBEFHM
COc1cc([O-])c2c(c1)C(=O)C1=C(C[C@@H](O)[C@@](C)(O)[C@@H]1O)C2=O	ZINC000006067400	181310263	/nfs/dbraw/zinc/31/02/63/181310263.db2.gz	VEGRZYSJCNPLRM-UHNFBRDESA-N	-1	3	320.297	-0.047	1	30		DBEFHM
O=C(Cc1ccccc1[N+](=O)[O-])On1c(=O)[n-]cc(F)c1=O	ZINC000040520476	183090080	/nfs/dbraw/zinc/09/00/80/183090080.db2.gz	MBWDNJOITDAPCE-UHFFFAOYSA-N	-1	3	309.209	-0.218	1	30		DBEFHM
COc1ccc(S(=O)(=O)N(CCO)CC(=O)N[O-])cc1	ZINC000058650403	184126103	/nfs/dbraw/zinc/12/61/03/184126103.db2.gz	IVGHGMHNUBCTDC-UHFFFAOYSA-N	-1	3	304.324	-0.816	1	30	in-vitro	DBEFHM
COC(=O)N=C([N-]C(=O)OC)NCCCN1CCN(C)CC1	ZINC000019364406	182119403	/nfs/dbraw/zinc/11/94/03/182119403.db2.gz	LKNSSXLQBVTPHI-UHFFFAOYSA-N	-1	3	315.374	-0.104	1	30		DBEFHM
O=C(N[O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1Cc2ccccc2CN1	ZINC000072105259	191037038	/nfs/dbraw/zinc/03/70/38/191037038.db2.gz	UBSUORANCXYVKA-AGIUHOORSA-N	-1	3	305.334	-0.832	1	30		DBEFHM
O=C(CN1C(=O)CNC2(C1=O)C1CC3CC(C1)CC2C3)N[O-]	ZINC000072108454	191038426	/nfs/dbraw/zinc/03/84/26/191038426.db2.gz	UUIIKHIWTNZYFC-UHFFFAOYSA-N	-1	3	307.350	-0.355	1	30		DBEFHM
Cc1[nH]c(=O)[n-]c(=O)c1C=CC(=O)ON1C(=O)CCCC1=O	ZINC000043322860	183354849	/nfs/dbraw/zinc/35/48/49/183354849.db2.gz	NSOQNTZEYPNPNN-AATRIKPKSA-N	-1	3	307.262	-0.618	1	30		DBEFHM