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)/C(=C/c2cc(OC)c([O-])c(Cl)c2Br)C(=O)[N-]C1=S	ZINC000408901835	556882876	/nfs/dbraw/zinc/88/28/76/556882876.db2.gz	HRGYJPPACQKPLJ-VMPITWQZSA-N	-2	3	431.695	2.629	40	30		IFEBHL
O=C1Nc2ccccc2C1=N[N-]c1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(N2CCCC2)n1	ZINC000008856212	556227535	/nfs/dbraw/zinc/22/75/35/556227535.db2.gz	YOYCFZWJYQBDBA-UHFFFAOYSA-N	-2	3	445.443	2.892	40	30		IFEBHL
CC/N=C1\SC(=Cc2c(=O)[n-]c(=S)n(-c3ccc(C)c(C)c3)c2[O-])C(=O)N1CC	ZINC000408854332	556871712	/nfs/dbraw/zinc/87/17/12/556871712.db2.gz	COGJUYXUXIWSMS-XVXGUSMJSA-N	-2	3	430.555	2.522	40	30		IFEBHL
CC/N=C1\SC(=Cc2c(=O)[n-]c(=S)n(-c3ccc(C)c(C)c3)c2[O-])C(=O)N1CC	ZINC000408854331	556871650	/nfs/dbraw/zinc/87/16/50/556871650.db2.gz	COGJUYXUXIWSMS-QADHYEPPSA-N	-2	3	430.555	2.522	40	30		IFEBHL
C=CCN1C(=O)C(=Cc2cc(I)c([O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000034138234	557811082	/nfs/dbraw/zinc/81/10/82/557811082.db2.gz	MSZBKRAPNJJVFX-WEVVVXLNSA-N	-2	3	444.250	2.658	40	30		IFEBHL