smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]CC[C@@]1(C(=O)O[C@@H]2Cc3c([O-])c4c(=O)cc(C)oc4cc3OC2(C)C)O[C@@H]1C	ZINC000085594160	291205679	/nfs/dbraw/zinc/20/56/79/291205679.db2.gz	QZHHFKOYAUEAHJ-LPCJOIQWSA-N	0	1	417.458	2.199	1	30	biogenic,in-vitro	HEEFMN
COc1ccc(C#CCOc2ccccc2C(=O)[O-])cc1Cc1c[nH+]c(N)nc1N	ZINC000003641192	581096178	/nfs/dbraw/zinc/09/61/78/581096178.db2.gz	OFMQCOABEHAXGV-UHFFFAOYSA-N	0	1	404.426	2.369	1	30		HEEFMN
NC(=S)N=NCc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1	ZINC000033379591	526816341	/nfs/dbraw/zinc/81/63/41/526816341.db2.gz	UYKWMBZZQYPKCP-JMIUGGIZSA-N	0	1	402.461	2.116	1	30		HEEFMN
CC(=O)O[C@H]1C2=C(C(=O)C([O-])=C([C@@H](C)CO)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O	ZINC000095913325	291203165	/nfs/dbraw/zinc/20/31/65/291203165.db2.gz	CGEAFLFTMXPWRG-YIDSTKMZSA-N	0	1	406.475	2.014	1	30	biogenic,in-vitro	HEEFMN
C[NH2+]CC[C@]1(C(=O)O[C@@H]2Cc3c([O-])c4c(=O)cc(C)oc4cc3OC2(C)C)O[C@@H]1C	ZINC000085594159	291205684	/nfs/dbraw/zinc/20/56/84/291205684.db2.gz	QZHHFKOYAUEAHJ-IPTDYSPRSA-N	0	1	417.458	2.199	1	30	biogenic,in-vitro	HEEFMN