smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCNC(=O)CCCCCO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000043562127	717128949	/nfs/dbraw/zinc/12/89/49/717128949.db2.gz	ZVUHIAWPPASGNQ-UHFFFAOYSA-O	0	1	423.555	4.253	1	30		HIEFMN
Cc1sccc1-c1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C#N)o1	ZINC000029047311	581091729	/nfs/dbraw/zinc/09/17/29/581091729.db2.gz	ZWRCMAAVANOLOT-UHFFFAOYSA-N	0	1	406.511	4.192	1	30		HIEFMN
Cc1ccsc1-c1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C#N)o1	ZINC000029047430	581091451	/nfs/dbraw/zinc/09/14/51/581091451.db2.gz	BKGAAMAFOWYKJB-UHFFFAOYSA-N	0	1	406.511	4.192	1	30		HIEFMN
Cc1ccccc1-c1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C#N)o1	ZINC000029047436	581091245	/nfs/dbraw/zinc/09/12/45/581091245.db2.gz	GXQMEGDUUBFCFH-UHFFFAOYSA-N	0	1	400.482	4.131	1	30		HIEFMN
CC(C)(O)[C@H]1Cc2cc(C(=O)/C=C/c3ccc4c(c3)CCC(C)(C)O4)c(O)cc2O1	ZINC000013375652	291261906	/nfs/dbraw/zinc/26/19/06/291261906.db2.gz	YSOHJTIJBIMQNH-NKOINVLESA-N	0	1	408.494	4.466	1	30	biogenic,in-vitro	HIEFMN
C=C(C)[C@H]1Cc2c(cc3oc4c(O)c(O)c(O)c(CC=C(C)C)c4c(=O)c3c2O)O1	ZINC000013410076	560216467	/nfs/dbraw/zinc/21/64/67/560216467.db2.gz	PIPKOMCOCGAXLZ-CYBMUJFWSA-N	0	1	410.422	4.157	1	30	in-vitro	HIEFMN
C=C(C)[C@@H]1Cc2c(cc3oc4c(O)c(O)c(O)c(CC=C(C)C)c4c(=O)c3c2O)O1	ZINC000013410080	560216379	/nfs/dbraw/zinc/21/63/79/560216379.db2.gz	PIPKOMCOCGAXLZ-ZDUSSCGKSA-N	0	1	410.422	4.157	1	30	in-vitro	HIEFMN
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2([C@H](N)C=O)[C@H]1CCC[C@H]([C@@H]2C[C@H](O)C=CO2)C1	ZINC000085544838	291260767	/nfs/dbraw/zinc/26/07/67/291260767.db2.gz	BAUZZPLVKFJRAA-YQHYBWOCSA-N	0	1	413.602	4.227	1	30	biogenic,in-vitro	HIEFMN