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-])c1ccc[nH]c1=NNC(=O)c1cccc([O-])c1F	ZINC001595261540	949670345	/nfs/dbraw/zinc/67/03/45/949670345.db2.gz	DOTPUVFSMMDZMP-UHFFFAOYSA-N	-2	1	291.238	1.381	20	50		CDGDML
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]NC(=O)[O-]	ZINC000738374787	978527410	/nfs/dbraw/zinc/52/74/10/978527410.db2.gz	QPZNOCXYAYWKAX-UHFFFAOYSA-N	-2	1	294.698	1.747	20	50		CDGDML
O=C([O-])c1ccc[nH]c1=NNC(=O)c1cc(F)ccc1[O-]	ZINC001594781964	953639707	/nfs/dbraw/zinc/63/97/07/953639707.db2.gz	ZIISTHYYVQPXTM-UHFFFAOYSA-N	-2	1	291.238	1.381	20	50		CDGDML
Cc1csc(C(=O)[N-]NC(=O)C2(C(=O)[O-])CCC2)c1	ZINC001594435998	959233465	/nfs/dbraw/zinc/23/34/65/959233465.db2.gz	QDNDOASVHPFJLZ-UHFFFAOYSA-N	-2	1	282.321	1.072	20	50		CDGDML
O=C([O-])NN=Cc1cc(O)c([O-])c(Br)c1	ZINC000832744517	603819867	/nfs/dbraw/zinc/81/98/67/603819867.db2.gz	LQZWPFVSJSEGOR-UHFFFAOYSA-N	-2	1	275.058	1.462	20	50		CDGDML
O=C([O-])C1(C(=O)NN=c2ncc(F)c[n-]2)CCCCCC1	ZINC001594867301	954319280	/nfs/dbraw/zinc/31/92/80/954319280.db2.gz	KQXBLMSREFRLPN-UHFFFAOYSA-N	-2	1	296.302	1.484	20	50		CDGDML
O=C([O-])c1ccc[nH]c1=N[N-]C(=O)c1c(F)cncc1F	ZINC001595262069	949678746	/nfs/dbraw/zinc/67/87/46/949678746.db2.gz	PGJAXFSYZNTCFW-UHFFFAOYSA-N	-2	1	294.217	1.210	20	50		CDGDML
Cc1onc(-c2ccccc2)c1C(=O)[N-]NC(=O)[O-]	ZINC000738397813	978533510	/nfs/dbraw/zinc/53/35/10/978533510.db2.gz	MPNBPWYOMDJDCO-UHFFFAOYSA-N	-2	1	261.237	1.562	20	50		CDGDML
CCC(CC)(C(=O)[O-])C(=O)NN=c1nc(OC)cc(C)[n-]1	ZINC000846705478	955711856	/nfs/dbraw/zinc/71/18/56/955711856.db2.gz	CYCKISASVDBDAX-UHFFFAOYSA-N	-2	1	296.327	1.128	20	50		CDGDML
O=C([O-])CCC(=O)N[N-]C(=O)c1ccc(Cl)cc1F	ZINC000833223778	601272286	/nfs/dbraw/zinc/27/22/86/601272286.db2.gz	SFXSVIVKQUWABJ-UHFFFAOYSA-N	-2	1	288.662	1.105	20	50		CDGDML
CN([N-]C(=O)c1ccoc1CC(=O)[O-])C(=O)OC(C)(C)C	ZINC001598542116	992914090	/nfs/dbraw/zinc/91/40/90/992914090.db2.gz	WJWFYMQFHBUZIL-UHFFFAOYSA-N	-2	1	298.295	1.418	20	50		CDGDML
O=C([O-])CCCCC(=O)NN=c1[nH]cncc1Cl	ZINC001606146311	973403648	/nfs/dbraw/zinc/40/36/48/973403648.db2.gz	SEKCVUKBIVOEFM-UHFFFAOYSA-N	-2	1	272.692	1.218	20	50		CDGDML
CCC(CC)(C(=O)[O-])C(=O)N[N-]C(=O)c1cc(C)cs1	ZINC001589475748	954957769	/nfs/dbraw/zinc/95/77/69/954957769.db2.gz	JUEVUGMWQLKOOT-UHFFFAOYSA-N	-2	1	298.364	1.709	20	50		CDGDML
O=C([O-])C1(C(=O)NN=c2ncc(F)c[n-]2)CCCCC1	ZINC001594867619	954321522	/nfs/dbraw/zinc/32/15/22/954321522.db2.gz	OVOCPDRMXBCJML-UHFFFAOYSA-N	-2	1	282.275	1.094	20	50		CDGDML