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-])[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@H]1CCCOC1	ZINC000432103817	939174051	/nfs/dbraw/zinc/17/40/51/939174051.db2.gz	VKBUDVOWYWTLCG-MEDUHNTESA-N	-2	3	425.438	1.564	20	0		IDADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1	ZINC000678990695	939869637	/nfs/dbraw/zinc/86/96/37/939869637.db2.gz	OQSVWQFTIPNHBO-OQPBUACISA-N	-2	3	433.845	1.693	20	0		IDADHL
O=C([O-])[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1	ZINC000426706677	939144247	/nfs/dbraw/zinc/14/42/47/939144247.db2.gz	WBGXSPYSWFPCAN-ZDUSSCGKSA-N	-2	3	433.305	1.731	20	0		IDADHL
O=C([O-])[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@H]1CCCOC1	ZINC000432103818	939173795	/nfs/dbraw/zinc/17/37/95/939173795.db2.gz	VKBUDVOWYWTLCG-ZBEGNZNMSA-N	-2	3	425.438	1.564	20	0		IDADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1	ZINC000678990640	939869671	/nfs/dbraw/zinc/86/96/71/939869671.db2.gz	OQSVWQFTIPNHBO-AMIZOPFISA-N	-2	3	433.845	1.693	20	0		IDADHL
O=C([O-])C1(NC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CCCCC1	ZINC000772861665	939086552	/nfs/dbraw/zinc/08/65/52/939086552.db2.gz	NLKNOOBHPNWEKU-UHFFFAOYSA-N	-2	3	425.326	1.693	20	0		IDADHL
O=C([O-])[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@@H]1CCCOC1	ZINC000432103815	939173808	/nfs/dbraw/zinc/17/38/08/939173808.db2.gz	VKBUDVOWYWTLCG-BDJLRTHQSA-N	-2	3	425.438	1.564	20	0		IDADHL
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@]3(C(=O)[O-])CCOC3)c2)cc1	ZINC000537369729	939266648	/nfs/dbraw/zinc/26/66/48/939266648.db2.gz	AFCYRJDLDLISQP-HXUWFJFHSA-N	-2	3	434.470	1.778	20	0		IDADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)c(C)o1	ZINC000761807381	939069240	/nfs/dbraw/zinc/06/92/40/939069240.db2.gz	OVLXWAAFCPDOQM-INIZCTEOSA-N	-2	3	445.291	1.988	20	0		IDADHL
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000766961159	939081658	/nfs/dbraw/zinc/08/16/58/939081658.db2.gz	LCGDETUNRGQYOX-QGZVFWFLSA-N	-2	3	436.415	1.480	20	0		IDADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1	ZINC000678990696	939869661	/nfs/dbraw/zinc/86/96/61/939869661.db2.gz	OQSVWQFTIPNHBO-SDBXPKJASA-N	-2	3	433.845	1.693	20	0		IDADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c(C)o1	ZINC000761807382	939069444	/nfs/dbraw/zinc/06/94/44/939069444.db2.gz	OVLXWAAFCPDOQM-MRXNPFEDSA-N	-2	3	445.291	1.988	20	0		IDADHL
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@]3(C(=O)[O-])CCOC3)c2)cc1	ZINC000537369726	939266553	/nfs/dbraw/zinc/26/65/53/939266553.db2.gz	AFCYRJDLDLISQP-FQEVSTJZSA-N	-2	3	434.470	1.778	20	0		IDADHL
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000766961155	939081700	/nfs/dbraw/zinc/08/17/00/939081700.db2.gz	LCGDETUNRGQYOX-KRWDZBQOSA-N	-2	3	436.415	1.480	20	0		IDADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)c(C)o1	ZINC000431430790	939149893	/nfs/dbraw/zinc/14/98/93/939149893.db2.gz	DFSJQWWYWMSCSQ-CYBMUJFWSA-N	-2	3	431.264	1.814	20	0		IDADHL
O=C([O-])[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1	ZINC000428050381	939147802	/nfs/dbraw/zinc/14/78/02/939147802.db2.gz	WBGXSPYSWFPCAN-CYBMUJFWSA-N	-2	3	433.305	1.731	20	0		IDADHL
O=C([O-])[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@@H]1CCCOC1	ZINC000432103816	939174021	/nfs/dbraw/zinc/17/40/21/939174021.db2.gz	VKBUDVOWYWTLCG-BZNIZROVSA-N	-2	3	425.438	1.564	20	0		IDADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)c(C)o1	ZINC000431430793	939149787	/nfs/dbraw/zinc/14/97/87/939149787.db2.gz	DFSJQWWYWMSCSQ-ZDUSSCGKSA-N	-2	3	431.264	1.814	20	0		IDADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1	ZINC000678990694	939869684	/nfs/dbraw/zinc/86/96/84/939869684.db2.gz	OQSVWQFTIPNHBO-ISVAXAHUSA-N	-2	3	433.845	1.693	20	0		IDADHL