smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c(=O)cc(O)n(NC2=NNC3(c4ccccc4-c4ccccc43)C(=O)N2)c1=S	ZINC000001641982	562923545	/nfs/dbraw/zinc/92/35/45/562923545.db2.gz	VRPGDYMAUQOCQC-UHFFFAOYSA-N	0	2	446.492	0.937	40	30		ICEBLN
C=CCn1c(O)cc(=O)n(NC2=NNC3(c4ccccc4-c4ccccc43)C(=O)N2)c1=S	ZINC000001641982	562923543	/nfs/dbraw/zinc/92/35/43/562923543.db2.gz	VRPGDYMAUQOCQC-UHFFFAOYSA-N	0	2	446.492	0.937	40	30		ICEBLN
N#Cc1ccccc1NC(=O)C(NNc1ccc([N+](=O)[O-])cc1)=C1C(=O)NC(=O)NC1=O	ZINC000016958016	556650934	/nfs/dbraw/zinc/65/09/34/556650934.db2.gz	WAFQHDTXVORHPL-MFKUBSTISA-N	0	2	435.356	0.855	40	30		ICEBLN
C[NH+](C)c1ccc(N2/C(=N/C(=O)COCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000032502738	556538385	/nfs/dbraw/zinc/53/83/85/556538385.db2.gz	BPOZVMWJJCLVHB-YQTDRKPDSA-N	0	2	427.504	0.455	40	30		ICEBLN
C[NH+](C)c1ccc(N2/C(=N/C(=O)COCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000032502740	556538379	/nfs/dbraw/zinc/53/83/79/556538379.db2.gz	BPOZVMWJJCLVHB-IKZORZIJSA-N	0	2	427.504	0.455	40	30		ICEBLN
C[NH+](C)c1ccc(N2/C(=N/C(=O)COCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000032502742	556538356	/nfs/dbraw/zinc/53/83/56/556538356.db2.gz	BPOZVMWJJCLVHB-NERIXLHVSA-N	0	2	427.504	0.455	40	30		ICEBLN
C[NH+](C)c1ccc(N2/C(=N/C(=O)COCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000032502744	556538327	/nfs/dbraw/zinc/53/83/27/556538327.db2.gz	BPOZVMWJJCLVHB-LKXWOGMASA-N	0	2	427.504	0.455	40	30		ICEBLN
N#Cc1ccccc1NC(=O)C(NNc1ccc([N+](=O)[O-])cc1)=C1C(=O)NC(=O)NC1=O	ZINC000102932201	526741457	/nfs/dbraw/zinc/74/14/57/526741457.db2.gz	WAFQHDTXVORHPL-MYYYXRDXSA-N	0	2	435.356	0.855	40	30		ICEBLN