smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC/[NH+]=C(/C)[C@H]1CCC/C1=[NH+]/CC	39124176	571894386	/nfs/dbraw/zinc/89/43/86/571894386.db2.gz	VBLSRAWDDPHMIP-VBMAHMMFSA-N	2	0	180.295	2.728	10	30		AFEERP
CC/[NH+]=C(/C)[C@@H]1CCC/C1=[NH+]/CC	39124177	571894902	/nfs/dbraw/zinc/89/49/02/571894902.db2.gz	VBLSRAWDDPHMIP-HYDOBPCGSA-N	2	0	180.295	2.728	10	30		AFEERP
CC[NH2+]CC[P+](CC)(CC)CC	238241323	572449243	/nfs/dbraw/zinc/44/92/43/572449243.db2.gz	QIBUZZDGIMLKHM-UHFFFAOYSA-N	2	0	190.291	2.673	10	30		AFEERP
CC/C(C)=N/[C@H](C)CC(C)(C)[NH2+]C	238180679	572969783	/nfs/dbraw/zinc/96/97/83/572969783.db2.gz	XDIKOXWACJCUCV-QQMDNXKGSA-N	2	0	184.327	2.634	10	30		AFEERP