smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)N1CC[NH+]=C1[NH+]=C(Nc1ccc(Cl)c(Cl)c1)N1CCCCC1	ZINC000072119667	205304398	/nfs/dbraw/zinc/30/43/98/205304398.db2.gz	OZQDGEJORZSZQJ-UHFFFAOYSA-N	2	1	382.339	4.327	1	30		GIEFMP
[NH2+]=C(Nc1ccc2c(c1)CCCCN2CC[NH+]1CCCCC1)c1cccs1	ZINC000084604670	205396413	/nfs/dbraw/zinc/39/64/13/205396413.db2.gz	TZSSPPPATLBEEG-UHFFFAOYSA-N	2	1	382.577	4.414	1	30		GIEFMP
C=CC[N@H+]1C[C@H](C)N(/C(=[NH+]\c2ccccc2)c2ccc(C(=O)OC)cc2)C[C@H]1C	ZINC000100800586	211393062	/nfs/dbraw/zinc/39/30/62/211393062.db2.gz	BFYGPPOVKYGOCL-RKYDJMFTSA-N	2	1	391.515	4.132	1	30		GIEFMP
C[N@@H+]1CCC[C@@H]1CCN1CCCCc2cc(NC(=[NH2+])c3cccs3)ccc21	ZINC000084596726	222317949	/nfs/dbraw/zinc/31/79/49/222317949.db2.gz	SCXDPWFTCCNXNE-LJQANCHMSA-N	2	1	382.577	4.412	1	30		GIEFMP
C[N@H+]1CCC[C@@H]1CCN1CCCCc2cc(NC(=[NH2+])c3cccs3)ccc21	ZINC000084596726	222317952	/nfs/dbraw/zinc/31/79/52/222317952.db2.gz	SCXDPWFTCCNXNE-LJQANCHMSA-N	2	1	382.577	4.412	1	30		GIEFMP
CCCCCCCCCCCC[N+](C)(C)CCN(C)CC[N@H+](C)CCN(C)C	ZINC000299840794	717181353	/nfs/dbraw/zinc/18/13/53/717181353.db2.gz	WEWGFMARQASZIU-UHFFFAOYSA-N	2	1	399.732	4.409	1	30		GIEFMP
CCCCCCCCCCCC[N+](C)(C)CCN(C)CC[N@@H+](C)CCN(C)C	ZINC000299840794	717181355	/nfs/dbraw/zinc/18/13/55/717181355.db2.gz	WEWGFMARQASZIU-UHFFFAOYSA-N	2	1	399.732	4.409	1	30		GIEFMP