smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C#N)cc1-c1cc(C)c2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2c1	ZINC000028702771	561947281	/nfs/dbraw/zinc/94/72/81/561947281.db2.gz	DKRTWRRBVFCPKE-UHFFFAOYSA-N	1	0	527.654	4.298	10	30		KIEERO
Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12	ZINC000053226541	562696521	/nfs/dbraw/zinc/69/65/21/562696521.db2.gz	LUGNORFTBOIQFV-UHFFFAOYSA-N	1	0	532.570	4.456	10	30		KIEERO
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H]([N+]6([O-])CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1	ZINC000072132563	553643681	/nfs/dbraw/zinc/64/36/81/553643681.db2.gz	JIRXZXZEEMVJRC-OOJCLDBCSA-N	1	0	545.785	4.420	10	30	in-vitro	KIEERO
Cc1ccc(C(=O)Nc2cc(CN3CC[NH+](C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1	ZINC000095586505	562774006	/nfs/dbraw/zinc/77/40/06/562774006.db2.gz	MXYXKUBTRKHYAM-UHFFFAOYSA-N	1	0	532.570	4.456	10	30		KIEERO
C[NH+]1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5ccnn5c4)c3)cc(C(F)(F)F)c2)CC1	ZINC000095591621	562775729	/nfs/dbraw/zinc/77/57/29/562775729.db2.gz	GYBZVTMKISJGBF-UHFFFAOYSA-N	1	0	518.543	4.148	10	30		KIEERO
C=CC[N+]1([C@H]2C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)[C@@H]([N+]6([O-])CCOCC6)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1	ZINC000575417994	717184411	/nfs/dbraw/zinc/18/44/11/717184411.db2.gz	PRQGIHOUZNBMOF-NKDFQMPQSA-N	1	0	546.793	4.312	10	30		KIEERO