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)C[C@@H](CO)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000161103749	519218646	/nfs/dbraw/zinc/21/86/46/519218646.db2.gz	YOWPHLGQKLBCMI-QMMMGPOBSA-N	-1	3	348.197	-0.178	20	70		EBIDHM
CC(=O)N1CC[C@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1	ZINC000159695468	377181832	/nfs/dbraw/zinc/18/18/32/377181832.db2.gz	NAGIVVAWVMURNG-LBPRGKRZSA-N	-1	3	344.371	-0.183	20	70		EBIDHM
Cc1ccc(-c2nnc(NC(=O)Cn3ccc(=O)n(C)c3=O)[n-]2)o1	ZINC000160394795	377905248	/nfs/dbraw/zinc/90/52/48/377905248.db2.gz	PKACGMUUXCUZMD-UHFFFAOYSA-N	-1	3	330.304	-0.128	20	70		EBIDHM
Cc1ccc(-c2n[n-]c(NC(=O)Cn3ccc(=O)n(C)c3=O)n2)o1	ZINC000160394795	377905255	/nfs/dbraw/zinc/90/52/55/377905255.db2.gz	PKACGMUUXCUZMD-UHFFFAOYSA-N	-1	3	330.304	-0.128	20	70		EBIDHM
Cc1ccc(-c2nc(NC(=O)Cn3ccc(=O)n(C)c3=O)n[n-]2)o1	ZINC000160394795	377905262	/nfs/dbraw/zinc/90/52/62/377905262.db2.gz	PKACGMUUXCUZMD-UHFFFAOYSA-N	-1	3	330.304	-0.128	20	70		EBIDHM
C[N-]S(=O)(=O)c1cc(C(=O)NCCCN2CCN(C)CC2)co1	ZINC000160193608	377320770	/nfs/dbraw/zinc/32/07/70/377320770.db2.gz	VCDLLKKHLLEENM-UHFFFAOYSA-N	-1	3	344.437	-0.445	20	70		EBIDHM
CC(=O)N1CC[C@@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1	ZINC000159695614	377180960	/nfs/dbraw/zinc/18/09/60/377180960.db2.gz	NAGIVVAWVMURNG-GFCCVEGCSA-N	-1	3	344.371	-0.183	20	70		EBIDHM
Cc1n[nH]cc1CCCNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000159598292	377308510	/nfs/dbraw/zinc/30/85/10/377308510.db2.gz	DOGAULWZPHFEKC-UHFFFAOYSA-N	-1	3	340.409	-0.521	20	70		EBIDHM
CC(C)C[C@H](CO)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000161103878	377337547	/nfs/dbraw/zinc/33/75/47/377337547.db2.gz	YOWPHLGQKLBCMI-MRVPVSSYSA-N	-1	3	348.197	-0.178	20	70		EBIDHM
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1	ZINC000160428556	377980996	/nfs/dbraw/zinc/98/09/96/377980996.db2.gz	FVHMTMVIINIBKF-PHIMTYICSA-N	-1	3	327.410	-0.949	20	70		EBIDHM