smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)c2c(C)oc3ccc([O-])c(CN4C[C@@H](C)O[C@H](C)C4)c32)cc1Cl	ZINC000017418531	556260719	/nfs/dbraw/zinc/26/07/19/556260719.db2.gz	VKYLTUMTTHDGNC-ZIAGYGMSSA-N	-1	3	458.942	4.970	10	10		JJCEHM
CCN(Cc1ccncc1)Cc1c([O-])ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc21	ZINC000205744098	569874247	/nfs/dbraw/zinc/87/42/47/569874247.db2.gz	IGRGLGHQFJOWOD-UHFFFAOYSA-N	-1	3	454.482	4.689	10	10		JJCEHM
[O-]c1c([C@@H](Nc2ccccn2)c2cc(I)ccc2O)ccc2cccnc12	ZINC000036245363	526350815	/nfs/dbraw/zinc/35/08/15/526350815.db2.gz	KDYSFBKHDIGEIC-HXUWFJFHSA-N	-1	3	469.282	4.847	10	10		JJCEHM
COc1ccc(NC(=O)c2c(C)oc3ccc([O-])c(CN4C[C@@H](C)O[C@@H](C)C4)c32)cc1Cl	ZINC000017418535	556260661	/nfs/dbraw/zinc/26/06/61/556260661.db2.gz	VKYLTUMTTHDGNC-OKILXGFUSA-N	-1	3	458.942	4.970	10	10		JJCEHM
CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2c([O-])ccc3ccccc32)NC(=O)N1	ZINC000020568885	555822299	/nfs/dbraw/zinc/82/22/99/555822299.db2.gz	SJVPNURISMSAGT-HXUWFJFHSA-N	-1	3	452.308	4.575	10	10		JJCEHM
CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2c([O-])ccc3ccccc32)NC(=O)N1	ZINC000020568884	555822274	/nfs/dbraw/zinc/82/22/74/555822274.db2.gz	SJVPNURISMSAGT-FQEVSTJZSA-N	-1	3	452.308	4.575	10	10		JJCEHM
COc1ccc(NC(=O)c2c(C)oc3ccc([O-])c(CN4C[C@H](C)O[C@@H](C)C4)c32)cc1Cl	ZINC000017418527	556260832	/nfs/dbraw/zinc/26/08/32/556260832.db2.gz	VKYLTUMTTHDGNC-KBPBESRZSA-N	-1	3	458.942	4.970	10	10		JJCEHM
[O-]c1c([C@H](Nc2ccccn2)c2cc(I)ccc2O)ccc2cccnc12	ZINC000036245361	526350708	/nfs/dbraw/zinc/35/07/08/526350708.db2.gz	KDYSFBKHDIGEIC-FQEVSTJZSA-N	-1	3	469.282	4.847	10	10		JJCEHM