smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC)c([C@@](O)(C[C@@H](C)[N+]2(C)CCCCC2)c2ccccc2)c1	ZINC000006036763	717103578	/nfs/dbraw/zinc/10/35/78/717103578.db2.gz	HZEYZXGSATXDFE-NTKDMRAZSA-N	1	0	384.540	4.349	10	5		GIBERO
C=Cc1cc(OC)c(OC)cc1[C@H]1Cc2cc(OC)c(OC)cc2C[N+]1(C)C	ZINC000033900782	717123357	/nfs/dbraw/zinc/12/33/57/717123357.db2.gz	JDRUAJPVMWOKOI-LJQANCHMSA-N	1	0	384.496	4.238	10	5		GIBERO
CN(C)C(=O)Oc1cccnc1C[N+](C)(Cc1ccccc1)Cc1ccccc1	ZINC000095858778	717140553	/nfs/dbraw/zinc/14/05/53/717140553.db2.gz	UALNPWKHTUTLAM-UHFFFAOYSA-N	1	0	390.507	4.489	10	5		GIBERO
CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)Cc1cccc(C(=O)N(C)C)c1	ZINC000249756800	717165114	/nfs/dbraw/zinc/16/51/14/717165114.db2.gz	HYXLMYQWLJIBFD-AREMUKBSSA-N	1	0	394.495	4.156	10	5		GIBERO
COc1cc2ccc3c4c(OC)cc(OC)c(OC)c4c[n+](C)c3c2cc1OC	ZINC000001532498	560181893	/nfs/dbraw/zinc/18/18/93/560181893.db2.gz	QXVJDCUNQFSDBQ-UHFFFAOYSA-N	1	0	394.447	4.014	10	5	in-vitro	GIBERO
COc1ccc(OC)c([C@](O)(C[C@@H](C)[N+]2(C)CCCCC2)c2ccccc2)c1	ZINC000006036778	717103474	/nfs/dbraw/zinc/10/34/74/717103474.db2.gz	HZEYZXGSATXDFE-DVECYGJZSA-N	1	0	384.540	4.349	10	5		GIBERO
CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)Cc1cccc(C(=O)N(C)C)c1	ZINC000249756810	717164986	/nfs/dbraw/zinc/16/49/86/717164986.db2.gz	HYXLMYQWLJIBFD-SANMLTNESA-N	1	0	394.495	4.156	10	5		GIBERO
COc1ccc(OC)c([C@@](O)(C[C@H](C)[N+]2(C)CCCCC2)c2ccccc2)c1	ZINC000006020942	209232951	/nfs/dbraw/zinc/23/29/51/209232951.db2.gz	HZEYZXGSATXDFE-YADARESESA-N	1	0	384.540	4.349	10	5		GIBERO
C[N+]1(CCSc2nc3ccccc3c(=O)n2-c2ccccc2)CCCCC1	ZINC000031555604	717119907	/nfs/dbraw/zinc/11/99/07/717119907.db2.gz	MGFRNHBLKCOGDS-UHFFFAOYSA-N	1	0	380.537	4.108	10	5		GIBERO
COc1ccc(CN(CC[N+]2(C)CCCCC2)Cc2ccc(OC)cc2)cc1	ZINC000033638910	209244645	/nfs/dbraw/zinc/24/46/45/209244645.db2.gz	UIHVMXWVDVYVKS-UHFFFAOYSA-N	1	0	383.556	4.337	10	5		GIBERO
C=Cc1cc(OC)c(OC)cc1[C@@H]1Cc2cc(OC)c(OC)cc2C[N+]1(C)C	ZINC000033900784	717123557	/nfs/dbraw/zinc/12/35/57/717123557.db2.gz	JDRUAJPVMWOKOI-IBGZPJMESA-N	1	0	384.496	4.238	10	5		GIBERO
CC[N+](C)(CC)CCOC(=O)C1(c2ccc(Br)cc2)CCCC1	ZINC000002444046	209363379	/nfs/dbraw/zinc/36/33/79/209363379.db2.gz	NKBUPLIJWONVBN-UHFFFAOYSA-N	1	0	383.350	4.291	10	5		GIBERO
CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000037587937	571034924	/nfs/dbraw/zinc/03/49/24/571034924.db2.gz	HKJZRGCFUQHTSC-UHFFFAOYSA-N	1	0	381.476	4.311	10	5		GIBERO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@@H](O)[C@@H]2CCC[N@@H+]2C1	ZINC000028955231	212117412	/nfs/dbraw/zinc/11/74/12/212117412.db2.gz	LAWAARLALKUFQQ-CVDCTZTESA-N	1	0	379.456	4.030	10	5	in-vivo	GIBERO
COc1ccc(OC)c([C@](O)(C[C@H](C)[N+]2(C)CCCCC2)c2ccccc2)c1	ZINC000006020957	212148750	/nfs/dbraw/zinc/14/87/50/212148750.db2.gz	HZEYZXGSATXDFE-CYFREDJKSA-N	1	0	384.540	4.349	10	5		GIBERO