smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1CCN(CC[C@H]2CN(C(=O)C3CCCCC3)CC[C@H]2CC(=O)[O-])CC1	ZINC000096416652	291202874	/nfs/dbraw/zinc/20/28/74/291202874.db2.gz	IZRTYDSQZJIUPU-PMACEKPBSA-N	-1	1	407.555	2.060	10	0	biogenic	HEAEMM
COc1ccc2nc(N3CCOCC3)c(C=C3C(=O)[N-]C(=S)N3C(C)=O)cc2c1	ZINC000001240061	537054918	/nfs/dbraw/zinc/05/49/18/537054918.db2.gz	MGBHJXOJNFVORU-GZTJUZNOSA-N	-1	1	412.471	2.095	10	0		HEAEMM
O=C(CCn1[n-]c(=O)ccc1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1	ZINC000007718936	569301879	/nfs/dbraw/zinc/30/18/79/569301879.db2.gz	NMOSRGVRUIAHFJ-UHFFFAOYSA-N	-1	1	406.855	2.042	10	0		HEAEMM
COCCNC(=O)c1ccc(Cn2c(=O)c3ccc(C(=O)[O-])cc3[nH]c2=S)cc1	ZINC000020644068	568638864	/nfs/dbraw/zinc/63/88/64/568638864.db2.gz	FCQHLSUEMWFTOG-UHFFFAOYSA-N	-1	1	413.455	2.182	10	0		HEAEMM
COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)c2cc(C)[nH]n2)C3)cc1	ZINC000067880640	571111046	/nfs/dbraw/zinc/11/10/46/571111046.db2.gz	WAFBOWWRAUEYBA-UHFFFAOYSA-N	-1	1	409.446	2.063	10	0		HEAEMM
CC(=O)N1CCN(CC[C@H]2CN(C(=O)Nc3ccccc3)CC[C@H]2CC(=O)[O-])CC1	ZINC000012481447	291202871	/nfs/dbraw/zinc/20/28/71/291202871.db2.gz	ZKPDVDZVXUKZBK-OALUTQOASA-N	-1	1	416.522	2.186	10	0		HEAEMM
CC(C)(C)OC(=O)NC1CCN(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])CC1	ZINC000642881973	569317353	/nfs/dbraw/zinc/31/73/53/569317353.db2.gz	NOMTUWPUIKZBDK-KRWDZBQOSA-N	-1	1	421.494	2.355	10	0		HEAEMM
CC(C)(C)OC(=O)NC1CCN(C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])CC1	ZINC000642881974	569317392	/nfs/dbraw/zinc/31/73/92/569317392.db2.gz	NOMTUWPUIKZBDK-QGZVFWFLSA-N	-1	1	421.494	2.355	10	0		HEAEMM
COCCN1C(=O)C[C@@H](CNC(=O)c2c([O-])cccc2F)[C@@H]1c1cnn(C(C)C)c1	ZINC000583624111	560776516	/nfs/dbraw/zinc/77/65/16/560776516.db2.gz	DPWKPGHWBCPSKI-VBKZILBWSA-N	-1	1	418.469	2.275	10	0		HEAEMM