smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1ncc(C[N@@H+](Cc2ccc(C)o2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C	ZINC000019216539	570282130	/nfs/dbraw/zinc/28/21/30/570282130.db2.gz	LVBASNODUQRSIP-UHFFFAOYSA-N	2	2	384.568	4.590	40	30		GJEBLP
C=CCn1ncc(C[N@H+](Cc2ccc(C)o2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C	ZINC000019216539	570282131	/nfs/dbraw/zinc/28/21/31/570282131.db2.gz	LVBASNODUQRSIP-UHFFFAOYSA-N	2	2	384.568	4.590	40	30		GJEBLP
C=CCn1ncc(C[N@H+](Cc2ccccc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C	ZINC000012186670	570235993	/nfs/dbraw/zinc/23/59/93/570235993.db2.gz	QITNRQCFZMRORT-UHFFFAOYSA-N	2	2	380.580	4.689	40	30		GJEBLP
C=CCn1ncc(C[N@@H+](Cc2ccccc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C	ZINC000012186670	570235996	/nfs/dbraw/zinc/23/59/96/570235996.db2.gz	QITNRQCFZMRORT-UHFFFAOYSA-N	2	2	380.580	4.689	40	30		GJEBLP