smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1	ZINC000216831271	568468142	/nfs/dbraw/zinc/46/81/42/568468142.db2.gz	XEGYVBJIRFVEIS-UHFFFAOYSA-N	-1	3	403.504	2.077	40	70		HEIBHM
CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218403957	568479906	/nfs/dbraw/zinc/47/99/06/568479906.db2.gz	QACUWEVGWRZGLW-QGZVFWFLSA-N	-1	3	410.517	2.343	40	70		HEIBHM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C	ZINC000216843060	568468065	/nfs/dbraw/zinc/46/80/65/568468065.db2.gz	NIZYIHSNGDXQDU-UHFFFAOYSA-N	-1	3	403.504	2.192	40	70		HEIBHM
COc1cccc(-c2noc(CNC(=O)c3ccc([N-]S(C)(=O)=O)cc3)n2)c1	ZINC000218404421	568479841	/nfs/dbraw/zinc/47/98/41/568479841.db2.gz	MLYCIGNPEMASEQ-UHFFFAOYSA-N	-1	3	402.432	2.047	40	70		HEIBHM
COc1cccc(-c2noc(CN(C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3)n2)c1	ZINC000218405267	568479903	/nfs/dbraw/zinc/47/99/03/568479903.db2.gz	QLMRWHIRACFOER-UHFFFAOYSA-N	-1	3	416.459	2.389	40	70		HEIBHM
COc1ccc(-c2noc(CNC(=O)c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1	ZINC000218404526	568479919	/nfs/dbraw/zinc/47/99/19/568479919.db2.gz	JQIGXYSYTXHYLD-UHFFFAOYSA-N	-1	3	402.432	2.047	40	70		HEIBHM
CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218404038	568479803	/nfs/dbraw/zinc/47/98/03/568479803.db2.gz	QACUWEVGWRZGLW-KRWDZBQOSA-N	-1	3	410.517	2.343	40	70		HEIBHM
COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1	ZINC000218405370	568479912	/nfs/dbraw/zinc/47/99/12/568479912.db2.gz	GCXAMNQRQIBGTE-UHFFFAOYSA-N	-1	3	416.459	2.389	40	70		HEIBHM
Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCN(C)CC3)cc2)c1	ZINC000216831854	568468072	/nfs/dbraw/zinc/46/80/72/568468072.db2.gz	ACMBKXMBYVBNFL-UHFFFAOYSA-N	-1	3	417.531	2.385	40	70		HEIBHM
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000218401072	568479680	/nfs/dbraw/zinc/47/96/80/568479680.db2.gz	NGMMZPFFXOGSQI-UHFFFAOYSA-N	-1	3	408.432	2.114	40	70		HEIBHM
Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NC1CCN(C)CC1	ZINC000216836417	568468145	/nfs/dbraw/zinc/46/81/45/568468145.db2.gz	VGZDJXOKDVDZOE-UHFFFAOYSA-N	-1	3	417.531	2.385	40	70		HEIBHM
CN1CCC(Oc2ccc(CNC(=O)c3ccccc3[N-]S(C)(=O)=O)cc2)CC1	ZINC000216940021	568469462	/nfs/dbraw/zinc/46/94/62/568469462.db2.gz	BYIXEQIQUZNHHD-UHFFFAOYSA-N	-1	3	417.531	2.461	40	70		HEIBHM