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)(O)C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012279195	519329375	/nfs/dbraw/zinc/32/93/75/519329375.db2.gz	FIMDJFPAEZJMBK-XMMPIXPASA-N	2	0	464.679	4.167	10	30		JIEERP
C=C(C)[N+]1([C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)[C@@H]([NH+]6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)CCCC1	ZINC000613838144	717187468	/nfs/dbraw/zinc/18/74/68/717187468.db2.gz	NTRSMFMBXUSGOL-JWXUKUEBSA-N	2	0	487.749	4.184	10	30		JIEERP
CC[NH+](CC)CC#CC[N+](CC)(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	ZINC000725432681	717188855	/nfs/dbraw/zinc/18/88/55/717188855.db2.gz	OWCUITJOHJWUQW-SSEXGKCCSA-N	2	0	481.701	4.203	10	30		JIEERP
CC[NH+](CC)CC#CC[N+](CC)(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1	ZINC000725432680	717188577	/nfs/dbraw/zinc/18/85/77/717188577.db2.gz	OWCUITJOHJWUQW-PMERELPUSA-N	2	0	481.701	4.203	10	30		JIEERP
C=C(C)[N+]1([C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)[C@@H]([NH+]6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)CCCC1	ZINC000613838146	717187203	/nfs/dbraw/zinc/18/72/03/717187203.db2.gz	NTRSMFMBXUSGOL-LPCKXSIDSA-N	2	0	487.749	4.184	10	30		JIEERP
CC(C)(O)C#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012279196	519329616	/nfs/dbraw/zinc/32/96/16/519329616.db2.gz	FIMDJFPAEZJMBK-DEOSSOPVSA-N	2	0	464.679	4.167	10	30		JIEERP
C=C(C)[N+]1([C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)[C@H]([NH+]6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)CCCC1	ZINC000613838147	717187418	/nfs/dbraw/zinc/18/74/18/717187418.db2.gz	NTRSMFMBXUSGOL-RDOITYHGSA-N	2	0	487.749	4.184	10	30		JIEERP