smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1CN1CCC(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C2CC[NH2+]CC2)CC1	ZINC000009274711	553232677	/nfs/dbraw/zinc/23/26/77/553232677.db2.gz	VGXLAYOPDQNUQB-UHFFFAOYSA-N	1	3	505.638	4.129	10	0		KIAEHO
O[C@@H](CNCc1ccccc1)COc1ccc(Cc2ccc(OC[C@@H](O)C[NH2+]Cc3ccccc3)cc2)cc1	ZINC000026897943	553822062	/nfs/dbraw/zinc/82/20/62/553822062.db2.gz	LDGRPPYMFCXDNV-CONSDPRKSA-N	1	3	526.677	4.336	10	0		KIAEHO
O[C@H](CNCc1ccccc1)COc1ccc(Cc2ccc(OC[C@H](O)C[NH2+]Cc3ccccc3)cc2)cc1	ZINC000026897951	553821994	/nfs/dbraw/zinc/82/19/94/553821994.db2.gz	LDGRPPYMFCXDNV-FIRIVFDPSA-N	1	3	526.677	4.336	10	0		KIAEHO
CC[C@H]1C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@@H]1[C@]34CCN3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000085540106	562753186	/nfs/dbraw/zinc/75/31/86/562753186.db2.gz	KLFUUCHXSFIPMH-YBFGSCICSA-N	1	3	808.973	4.403	10	0	in-man	KIAEHO
CC[C@H]1C[C@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@@H]1[C@]34CCN3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000085540106	562753185	/nfs/dbraw/zinc/75/31/85/562753185.db2.gz	KLFUUCHXSFIPMH-YBFGSCICSA-N	1	3	808.973	4.403	10	0	in-man	KIAEHO