smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2C)C(=O)NC1=S	ZINC000006285866	132276911	/nfs/dbraw/zinc/27/69/11/132276911.db2.gz	QQPFWESRWZIKFI-HKWRFOASSA-N	0	1	435.549	3.225	10	10		IGCEMN
CN(C)c1ccc(CNc2nc3c(c(OCC(=O)[O-])n2)C[N@H+](Cc2ccccc2)CC3)cc1	ZINC000073706302	522215629	/nfs/dbraw/zinc/21/56/29/522215629.db2.gz	RCUHGVBXFUZGHA-UHFFFAOYSA-N	0	1	447.539	3.176	10	10		IGCEMN
CN(C)c1ccc(CNc2nc3c(c(OCC(=O)[O-])n2)C[N@@H+](Cc2ccccc2)CC3)cc1	ZINC000073706302	522215654	/nfs/dbraw/zinc/21/56/54/522215654.db2.gz	RCUHGVBXFUZGHA-UHFFFAOYSA-N	0	1	447.539	3.176	10	10		IGCEMN
COc1cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=O	ZINC000004098683	291357562	/nfs/dbraw/zinc/35/75/62/291357562.db2.gz	DUENHQWYLVQDQK-UHFFFAOYSA-N	0	1	434.400	3.471	10	10	biogenic,in-vitro	IGCEMN
COc1cccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C(=O)NC2=S)c1	ZINC000020274344	557004931	/nfs/dbraw/zinc/00/49/31/557004931.db2.gz	BDWUQGKIHDCJOA-NVNXTCNLSA-N	0	1	428.466	3.393	10	10		IGCEMN