smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2sc([C@H](c3cccs3)[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c([O-])n2n1	ZINC000218061597	557176398	/nfs/dbraw/zinc/17/63/98/557176398.db2.gz	VAASRWIMSKUICU-IYOUNJFTSA-N	0	1	439.566	3.237	40	70		IGIBMN
Cc1nc2sc([C@@H](c3cccs3)[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c([O-])n2n1	ZINC000218061680	557176447	/nfs/dbraw/zinc/17/64/47/557176447.db2.gz	VAASRWIMSKUICU-PMUMKWKESA-N	0	1	439.566	3.237	40	70		IGIBMN
O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1	ZINC000217563670	557171446	/nfs/dbraw/zinc/17/14/46/557171446.db2.gz	PJVKHLYIIQDCEK-SVMVAKDDSA-N	0	1	449.551	3.033	40	70		IGIBMN
Cc1nc2sc([C@@H](c3ccccc3)[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c([O-])n2n1	ZINC000217849092	557174314	/nfs/dbraw/zinc/17/43/14/557174314.db2.gz	JYNOHJXNZHZNPG-XAUMDUMWSA-N	0	1	433.537	3.175	40	70		IGIBMN
Cc1nc2sc([C@H](c3ccsc3)[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c([O-])n2n1	ZINC000218022446	557175743	/nfs/dbraw/zinc/17/57/43/557175743.db2.gz	REJVJEAFEJEGIX-JOQOYGCGSA-N	0	1	439.566	3.237	40	70		IGIBMN
O=C(c1cc(-c2ccc(Br)s2)[nH]n1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000218052014	557176098	/nfs/dbraw/zinc/17/60/98/557176098.db2.gz	ZIWPNTSPVDDRIP-NWDGAFQWSA-N	0	1	445.342	3.322	40	70		IGIBMN
Cc1nc2sc([C@H](c3ccccc3)[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c([O-])n2n1	ZINC000217848996	557174420	/nfs/dbraw/zinc/17/44/20/557174420.db2.gz	JYNOHJXNZHZNPG-VPWXQRGCSA-N	0	1	433.537	3.175	40	70		IGIBMN
Cc1nc2sc([C@@H](c3ccsc3)[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c([O-])n2n1	ZINC000218022525	557175833	/nfs/dbraw/zinc/17/58/33/557175833.db2.gz	REJVJEAFEJEGIX-JCKWVBRZSA-N	0	1	439.566	3.237	40	70		IGIBMN