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@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC[C@@H]1C(=O)[O-]	ZINC000526951300	530675639	/nfs/dbraw/zinc/67/56/39/530675639.db2.gz	FWXQOIOUTYSLOF-ONGXEEELSA-N	-2	1	394.446	0.929	10	0		GCAEML
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CC(=O)[O-])c(OC)c1	ZINC000548238752	531112882	/nfs/dbraw/zinc/11/28/82/531112882.db2.gz	NVQGJLUTKLNSIW-UHFFFAOYSA-N	-2	1	394.471	0.942	10	0		GCAEML
C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC[C@H]1C(=O)[O-]	ZINC000526951299	530675574	/nfs/dbraw/zinc/67/55/74/530675574.db2.gz	FWXQOIOUTYSLOF-MWLCHTKSSA-N	-2	1	394.446	0.929	10	0		GCAEML
O=c1nc(CC[N-]S(=O)(=O)c2cc(Br)cnc2Cl)[n-]o1	ZINC000392199569	677371184	/nfs/dbraw/zinc/37/11/84/677371184.db2.gz	OLTNXSTWVHWXKL-UHFFFAOYSA-N	-2	1	383.611	0.695	10	0		GCAEML
CCOC(=O)[C@@H]1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC12COC2	ZINC000452613662	1197070483	/nfs/dbraw/zinc/07/04/83/1197070483.db2.gz	OFQXUGNYAKWVIO-JTQLQIEISA-N	-2	1	388.380	0.396	10	0		GCAEML
Cn1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)n1	ZINC000389808231	677370769	/nfs/dbraw/zinc/37/07/69/677370769.db2.gz	BCYJHELFMABWRP-UHFFFAOYSA-N	-2	1	381.233	0.816	10	0		GCAEML
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2sccc2Br)nn1	ZINC000167256882	530578187	/nfs/dbraw/zinc/57/81/87/530578187.db2.gz	HPIOPWCCTYZGIK-UHFFFAOYSA-N	-2	1	381.233	0.665	10	0		GCAEML
O=C(NCCc1nc(=O)o[n-]1)c1ccc(I)c([O-])c1	ZINC000392277513	530854731	/nfs/dbraw/zinc/85/47/31/530854731.db2.gz	ORXXKWZOKSUJMO-UHFFFAOYSA-N	-2	1	375.122	0.646	10	0		GCAEML
C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1C(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC000001842771	212258949	/nfs/dbraw/zinc/25/89/49/212258949.db2.gz	VFAVNRVDTAPBNR-FPMFFAJLSA-N	-2	1	377.397	0.398	10	0		GCAEML
C[C@H](N[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1C(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC000031416582	221709723	/nfs/dbraw/zinc/70/97/23/221709723.db2.gz	VFAVNRVDTAPBNR-IACUBPJLSA-N	-2	1	377.397	0.398	10	0		GCAEML
CCOC(=O)[C@H]1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC12COC2	ZINC000452613669	1197070667	/nfs/dbraw/zinc/07/06/67/1197070667.db2.gz	OFQXUGNYAKWVIO-SNVBAGLBSA-N	-2	1	388.380	0.396	10	0		GCAEML
Cc1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000474761776	1196147949	/nfs/dbraw/zinc/14/79/49/1196147949.db2.gz	CUCWZUHPTUIGKV-NSHDSACASA-N	-2	1	387.396	0.254	10	0		GCAEML
CCCCNC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCOC)cc1	ZINC000737757110	639218568	/nfs/dbraw/zinc/21/85/68/639218568.db2.gz	SZZZLPSRGDBJPB-UHFFFAOYSA-N	-2	1	393.487	0.863	10	0		GCAEML
C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC[C@@H]1C(=O)[O-]	ZINC000526951298	530675513	/nfs/dbraw/zinc/67/55/13/530675513.db2.gz	FWXQOIOUTYSLOF-KOLCDFICSA-N	-2	1	394.446	0.929	10	0		GCAEML
Cc1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000474761775	1196148007	/nfs/dbraw/zinc/14/80/07/1196148007.db2.gz	CUCWZUHPTUIGKV-LLVKDONJSA-N	-2	1	387.396	0.254	10	0		GCAEML
O=C(NCCc1nc(=O)o[n-]1)c1cc(I)ccc1[O-]	ZINC000392273874	530854844	/nfs/dbraw/zinc/85/48/44/530854844.db2.gz	LHTOORNXDUZZIM-UHFFFAOYSA-N	-2	1	375.122	0.646	10	0		GCAEML