smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000218149015	557180502	/nfs/dbraw/zinc/18/05/02/557180502.db2.gz	HAYAGGGTCOTEPW-UHFFFAOYSA-N	1	0	440.569	2.794	50	70		IFIARO
O=C(CC[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217882329	569454584	/nfs/dbraw/zinc/45/45/84/569454584.db2.gz	MMQQPBNERVFTQM-YSIASYRMSA-N	1	0	446.979	2.921	50	70		IFIARO
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000217600720	557171792	/nfs/dbraw/zinc/17/17/92/557171792.db2.gz	DPRVIEIJLMKGRV-QHCPKHFHSA-N	1	0	442.519	2.625	50	70		IFIARO
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1ccc2c(c1)ncn2CC[NH+](C)C	ZINC000218526236	557205763	/nfs/dbraw/zinc/20/57/63/557205763.db2.gz	HHOUJLJXFUVOCV-IBGZPJMESA-N	1	0	437.544	2.808	50	70		IFIARO
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1ccc2c(c1)ncn2CC[NH+](C)C	ZINC000218526328	557205782	/nfs/dbraw/zinc/20/57/82/557205782.db2.gz	HHOUJLJXFUVOCV-LJQANCHMSA-N	1	0	437.544	2.808	50	70		IFIARO
O=c1occ(C[NH+]2CCCCC2)c([O-])c1CN1CC[NH+](CCOc2ccccc2)CC1	ZINC000218204317	557181751	/nfs/dbraw/zinc/18/17/51/557181751.db2.gz	UKYORUHTRJGLAJ-UHFFFAOYSA-N	1	0	427.545	2.528	50	70		IFIARO
C[NH+](C)C1(CNc2c(=O)c(=O)c2N2CCN(Cc3ccccc3Cl)CC2)CCCC1	ZINC000218379927	557196566	/nfs/dbraw/zinc/19/65/66/557196566.db2.gz	PLAZSEWHRJNPHG-UHFFFAOYSA-N	1	0	430.980	2.545	50	70		IFIARO
Cc1sc2ncn(CC(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)c(=O)c2c1C	ZINC000218391990	557197265	/nfs/dbraw/zinc/19/72/65/557197265.db2.gz	ADWKOYBMUDOYSE-UHFFFAOYSA-N	1	0	428.533	2.995	50	70		IFIARO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000217699522	557173212	/nfs/dbraw/zinc/17/32/12/557173212.db2.gz	UMWHVBTZIYRUQL-SUWCGCSTSA-N	1	0	425.847	2.910	50	70		IFIARO
O=C(C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217708889	569452018	/nfs/dbraw/zinc/45/20/18/569452018.db2.gz	SKWJBGKZNLROEU-YTQUADARSA-N	1	0	432.952	2.531	50	70		IFIARO