smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccccc4)C3)CC2)cc1	ZINC000585285999	568618915	/nfs/dbraw/zinc/61/89/15/568618915.db2.gz	GJYUCJCZSIRVRC-VWLOTQADSA-N	0	3	442.556	2.169	40	10		IECBHN
C[C@H]1O[C@@H](O[C@@H]2CCCc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@@H]1O	ZINC000005215379	556037486	/nfs/dbraw/zinc/03/74/86/556037486.db2.gz	JVCZXJYDGGNFSK-AYQNDCLTSA-N	0	3	439.464	2.090	40	10		IECBHN
CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3cc(C)ccc3[O-])CC1)C2=O	ZINC000019699535	556858900	/nfs/dbraw/zinc/85/89/00/556858900.db2.gz	NDTLYIHOMSAZQI-UHFFFAOYSA-N	0	3	444.532	2.208	40	10		IECBHN
C[C@@H]1O[C@@H](O[C@@H]2CCCc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@@H]1O	ZINC000005215380	556037547	/nfs/dbraw/zinc/03/75/47/556037547.db2.gz	JVCZXJYDGGNFSK-DFHCSUQFSA-N	0	3	439.464	2.090	40	10		IECBHN
Cc1ccc([O-])c(C[N@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCOCC4)n3)C2)c1	ZINC000019133587	556705082	/nfs/dbraw/zinc/70/50/82/556705082.db2.gz	JCJHGIHACMYQJC-PMACEKPBSA-N	0	3	439.560	2.067	40	10		IECBHN
Cc1ccc([O-])c(C[N@@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCOCC4)n3)C2)c1	ZINC000019133587	556705084	/nfs/dbraw/zinc/70/50/84/556705084.db2.gz	JCJHGIHACMYQJC-PMACEKPBSA-N	0	3	439.560	2.067	40	10		IECBHN
C[C@@H]1O[C@@H](O[C@@H]2CCCc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@H]1O	ZINC000005215378	556037495	/nfs/dbraw/zinc/03/74/95/556037495.db2.gz	JVCZXJYDGGNFSK-KXBZBNQCSA-N	0	3	439.464	2.090	40	10		IECBHN
C[C@H]1O[C@@H](O[C@@H]2CCCc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@H]1O	ZINC000005215377	556037511	/nfs/dbraw/zinc/03/75/11/556037511.db2.gz	JVCZXJYDGGNFSK-PGHPUMOWSA-N	0	3	439.464	2.090	40	10		IECBHN
COc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4)C3)CC2)cc1	ZINC000585285997	568618819	/nfs/dbraw/zinc/61/88/19/568618819.db2.gz	GJYUCJCZSIRVRC-RUZDIDTESA-N	0	3	442.556	2.169	40	10		IECBHN