smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000216795845	557155626	/nfs/dbraw/zinc/15/56/26/557155626.db2.gz	OGJXRVQIYQWZAO-UHFFFAOYSA-N	-1	0	431.558	3.007	40	70		IGIBRM
O=C(NCc1nc(-c2ccccc2)no1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000218412468	557197518	/nfs/dbraw/zinc/19/75/18/557197518.db2.gz	CPQSXBSPVFUESX-UHFFFAOYSA-N	-1	0	434.477	3.467	40	70		IGIBRM
Cc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)o1	ZINC000218094032	557177247	/nfs/dbraw/zinc/17/72/47/557177247.db2.gz	MRFLHXDCJBJUFU-KHYOSLBOSA-N	-1	0	437.525	3.077	40	70		IGIBRM
Cc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)o1	ZINC000218094116	557177142	/nfs/dbraw/zinc/17/71/42/557177142.db2.gz	MRFLHXDCJBJUFU-QMTMVMCOSA-N	-1	0	437.525	3.077	40	70		IGIBRM