smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc2nc(CN3CC[NH+](CCC(=O)Nc4sc5c(c4C#N)CCCC5)CC3)[nH]c(=O)c2c1C	ZINC000514390221	1066436234	/nfs/dbraw/zinc/43/62/34/1066436234.db2.gz	BYNIZMYJAUNYOP-UHFFFAOYSA-N	1	1	510.689	3.972	20	30		KHEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)CC2)cc1	ZINC000514390286	1066435570	/nfs/dbraw/zinc/43/55/70/1066435570.db2.gz	DYDGVKOMNCALRK-UHFFFAOYSA-N	1	1	534.604	3.712	20	30		KHEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)CC2)cc1	ZINC000514390286	1066435567	/nfs/dbraw/zinc/43/55/67/1066435567.db2.gz	DYDGVKOMNCALRK-UHFFFAOYSA-N	1	1	534.604	3.712	20	30		KHEDMO
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)CC2)c(C)c1	ZINC000514390554	1066441452	/nfs/dbraw/zinc/44/14/52/1066441452.db2.gz	OBTNWCFEYPUCBH-UHFFFAOYSA-N	1	1	508.688	3.619	20	30		KHEDMO
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)CC2)c(C)c1	ZINC000514390554	1066441447	/nfs/dbraw/zinc/44/14/47/1066441447.db2.gz	OBTNWCFEYPUCBH-UHFFFAOYSA-N	1	1	508.688	3.619	20	30		KHEDMO
N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC1)CCC2	ZINC000514391579	1066444168	/nfs/dbraw/zinc/44/41/68/1066444168.db2.gz	LUBDBTSRYDGKGC-UHFFFAOYSA-N	1	1	505.566	3.712	20	30		KHEDMO
CC(=O)N=C1C=CC(C(=O)C(C(=S)Nc2ccc3c(c2)OC(F)(F)O3)[n+]2cccc(CO)c2)=CC1	ZINC000920397382	1066501105	/nfs/dbraw/zinc/50/11/05/1066501105.db2.gz	UDWHDFTWFRGGDS-UHFFFAOYSA-O	1	1	500.503	3.882	20	30		KHEDMO