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(Cc1csc(NC(=O)c2cnccc2Oc2ccc(Cl)cc2)n1)N[O-]	ZINC000028460971	581101328	/nfs/dbraw/zinc/10/13/28/581101328.db2.gz	VJYHCRWQKBLUBW-UHFFFAOYSA-N	-1	3	404.835	3.284	1	30		HGEFHM
O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3cccc(O)c3)nc(N3CCCC3)n2)cc1	ZINC000021964871	527369246	/nfs/dbraw/zinc/36/92/46/527369246.db2.gz	APGUYRIISVKQLA-FYJGNVAPSA-N	-1	3	420.433	3.275	1	30		HGEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCC[C@H]31)O[C@@H]2C	ZINC000085594147	291241876	/nfs/dbraw/zinc/24/18/76/291241876.db2.gz	UQWXSKZMHVCTKX-DNMHFWELSA-N	-1	3	400.427	3.315	1	30	biogenic,in-vitro	HGEFHM
O=c1c2cc(C#CCc3ccccc3)ccc2ncn1Cc1ccc(-c2nnn[n-]2)cc1	ZINC000029133348	581098889	/nfs/dbraw/zinc/09/88/89/581098889.db2.gz	FWRSYWBCZFQNKX-UHFFFAOYSA-N	-1	3	418.460	3.219	1	30		HGEFHM
O=c1c2cc(C#CCc3ccccc3)ccc2ncn1Cc1ccc(-c2nn[n-]n2)cc1	ZINC000029133348	581098890	/nfs/dbraw/zinc/09/88/90/581098890.db2.gz	FWRSYWBCZFQNKX-UHFFFAOYSA-N	-1	3	418.460	3.219	1	30		HGEFHM
O=C(N[O-])C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCCC1	ZINC000027074799	581099776	/nfs/dbraw/zinc/09/97/76/581099776.db2.gz	CMENTMLKKMZGPM-UHFFFAOYSA-N	-1	3	408.451	3.105	1	30		HGEFHM
COc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3CC(=O)N[O-])cc2)cc1	ZINC000045287050	581097657	/nfs/dbraw/zinc/09/76/57/581097657.db2.gz	YOMXWXIANUYIMH-UHFFFAOYSA-N	-1	3	413.451	3.368	1	30	in-vivo	HGEFHM
C=C(C)[C@H]1Cc2c(cc([O-])c3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1	ZINC000033857007	291231087	/nfs/dbraw/zinc/23/10/87/291231087.db2.gz	ZPEHYKMRUBEPSQ-UAOJZALGSA-N	-1	3	410.422	3.409	1	30	biogenic,in-vitro	HGEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCC[C@H]31)O[C@@H]2C	ZINC000085594146	291241880	/nfs/dbraw/zinc/24/18/80/291241880.db2.gz	UQWXSKZMHVCTKX-WFFNAJRZSA-N	-1	3	400.427	3.315	1	30	biogenic,in-vitro	HGEFHM