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-])c1ccccc1COc1ccc(CS)cc1C(=O)[O-]	ZINC000095576022	185380512	/nfs/dbraw/zinc/38/05/12/185380512.db2.gz	IRWYUWPZJLKXLW-UHFFFAOYSA-N	-2	0	318.350	3.092	1	30		DGEFRL
N#[N+][N-][C@H]1C[C@H](N=[N+]=[N-])c2cc(C([O-])=CC(=O)C(=O)[O-])ccc21	ZINC000100990395	581101508	/nfs/dbraw/zinc/10/15/08/581101508.db2.gz	ASYURJXIVOBIPS-MVGZWBGGSA-N	-2	0	314.261	3.346	1	30		DGEFRL
N#[N+][N-][C@H]1C[C@@H](N=[N+]=[N-])c2cc(C([O-])=CC(=O)C(=O)[O-])ccc21	ZINC000100990387	581101577	/nfs/dbraw/zinc/10/15/77/581101577.db2.gz	ASYURJXIVOBIPS-FKWWTLFKSA-N	-2	0	314.261	3.346	1	30		DGEFRL
O=C([O-])c1ccc(COc2ccc(CS)cc2C(=O)[O-])cc1	ZINC000095576103	185380706	/nfs/dbraw/zinc/38/07/06/185380706.db2.gz	XRZKEULVAJONRI-UHFFFAOYSA-N	-2	0	318.350	3.092	1	30		DGEFRL
O=C([O-])c1ccccc1-c1cccc(CCS)c1C(=O)[O-]	ZINC000095572447	185380578	/nfs/dbraw/zinc/38/05/78/185380578.db2.gz	WTMWZTZQTXUUQO-UHFFFAOYSA-N	-2	0	302.351	3.222	1	30		DGEFRL
O=C([O-])c1cccc(COc2ccc(CS)cc2C(=O)[O-])c1	ZINC000095572929	185380607	/nfs/dbraw/zinc/38/06/07/185380607.db2.gz	VMVPZUHSSIHVFL-UHFFFAOYSA-N	-2	0	318.350	3.092	1	30		DGEFRL
O=C([O-])C(=O)C=C([O-])c1ccc(Cc2ccc(F)cc2)s1	ZINC000101028024	193807544	/nfs/dbraw/zinc/80/75/44/193807544.db2.gz	HPCSEPATWSKNCQ-WQLSENKSSA-N	-2	0	306.314	3.031	1	30		DGEFRL
N#[N+][N-][C@@H]1C[C@@H](N=[N+]=[N-])c2cc(C([O-])=CC(=O)C(=O)[O-])ccc21	ZINC000100990398	581101440	/nfs/dbraw/zinc/10/14/40/581101440.db2.gz	ASYURJXIVOBIPS-PULSAQFYSA-N	-2	0	314.261	3.346	1	30		DGEFRL
O=C(/C=C/c1ccccc1C(=O)[O-])/C=C/c1ccccc1C(=O)[O-]	ZINC000049050112	183706734	/nfs/dbraw/zinc/70/67/34/183706734.db2.gz	WQHJJRUEDNYQLA-WGDLNXRISA-N	-2	0	322.316	3.379	1	30		DGEFRL
N#[N+][N-][C@H]1C[C@@H](N=[N+]=[N-])c2ccc(C([O-])=CC(=O)C(=O)[O-])cc21	ZINC000100990402	581101490	/nfs/dbraw/zinc/10/14/90/581101490.db2.gz	ASYURJXIVOBIPS-JSEDFVMOSA-N	-2	0	314.261	3.346	1	30		DGEFRL