smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)(C(=O)[O-])c1ccccc1	ZINC000766970874	939084655	/nfs/dbraw/zinc/08/46/55/939084655.db2.gz	DLBRVJUHNIAPPL-LJQANCHMSA-N	-2	3	401.444	1.231	20	30		HDEDHL
Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C(N)=O	ZINC000732619611	1075808043	/nfs/dbraw/zinc/80/80/43/1075808043.db2.gz	ZLGNFRGRYKYZRD-UHFFFAOYSA-N	-2	3	416.459	1.121	20	30		HDEDHL
COc1ccc([C@H](CC(=O)[O-])NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1	ZINC000728153948	1076348900	/nfs/dbraw/zinc/34/89/00/1076348900.db2.gz	AUGOBOXYGBXKNW-HNNXBMFYSA-N	-2	3	417.443	1.066	20	30		HDEDHL
O=C([O-])[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc2ccccc2c1	ZINC000762205419	939071160	/nfs/dbraw/zinc/07/11/60/939071160.db2.gz	GJRHQUKVKVFSRQ-LJQANCHMSA-N	-2	3	423.450	1.820	20	30		HDEDHL
O=C([O-])[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc2ccccc2c1	ZINC000762205418	939071478	/nfs/dbraw/zinc/07/14/78/939071478.db2.gz	GJRHQUKVKVFSRQ-IBGZPJMESA-N	-2	3	423.450	1.820	20	30		HDEDHL
COc1ccc([C@@H](CC(=O)[O-])NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1	ZINC000728153949	1076348804	/nfs/dbraw/zinc/34/88/04/1076348804.db2.gz	AUGOBOXYGBXKNW-OAHLLOKOSA-N	-2	3	417.443	1.066	20	30		HDEDHL
Cn1cc(CNC(=O)c2ccc(C#N)c([O-])c2)c(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000443116757	1075603153	/nfs/dbraw/zinc/60/31/53/1075603153.db2.gz	DEZQJDGYYSCUPB-UHFFFAOYSA-N	-2	3	416.397	1.757	20	30		HDEDHL
CC[C@@](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)(C(=O)[O-])c1ccccc1	ZINC000766970872	939084811	/nfs/dbraw/zinc/08/48/11/939084811.db2.gz	DLBRVJUHNIAPPL-IBGZPJMESA-N	-2	3	401.444	1.231	20	30		HDEDHL
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000732620348	1075807420	/nfs/dbraw/zinc/80/74/20/1075807420.db2.gz	OSUUVZHGPNPJAY-UHFFFAOYSA-N	-2	3	410.433	1.683	20	30		HDEDHL
CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)[N-]S(=O)(=O)CC1CC1	ZINC000733704243	1076174100	/nfs/dbraw/zinc/17/41/00/1076174100.db2.gz	QMFFMQKHCXTJLA-AWEZNQCLSA-N	-2	3	413.521	1.140	20	30		HDEDHL
C#CCOc1ccc([N-]S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cc1	ZINC000730996246	1076707072	/nfs/dbraw/zinc/70/70/72/1076707072.db2.gz	JNLWVVFYRUSVQQ-CQSZACIVSA-N	-2	3	414.439	1.937	20	30		HDEDHL
CCOCCNC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1cccc([O-])c1	ZINC000732179362	1075662124	/nfs/dbraw/zinc/66/21/24/1075662124.db2.gz	IPJSQAPCILVWLG-UHFFFAOYSA-O	-2	3	403.484	1.820	20	30		HDEDHL
CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)[N-]S(=O)(=O)CC1CC1	ZINC000733704244	1076174023	/nfs/dbraw/zinc/17/40/23/1076174023.db2.gz	QMFFMQKHCXTJLA-CQSZACIVSA-N	-2	3	413.521	1.140	20	30		HDEDHL
C#CCOc1ccc([N-]S(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)cc1	ZINC000730996244	1076706658	/nfs/dbraw/zinc/70/66/58/1076706658.db2.gz	JNLWVVFYRUSVQQ-AWEZNQCLSA-N	-2	3	414.439	1.937	20	30		HDEDHL