smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(CC(=O)c1ccccc1)=[NH+]\CCC/[NH+]=C(/C)CC(=O)c1ccccc1	ZINC000103061335	518473500	/nfs/dbraw/zinc/47/35/00/518473500.db2.gz	FQQYERHFBVGNBV-ZFQRDYFNSA-N	2	2	362.473	4.844	40	30		FJEBLP
C[NH+](C)/C=C(/C=C/C(=O)/C=C/C(=C/[NH+](C)C)c1ccccc1)c1ccccc1	ZINC000055146209	523967656	/nfs/dbraw/zinc/96/76/56/523967656.db2.gz	RHIYEEQNVNGLLD-CGJMZHHMSA-N	2	2	372.512	4.873	40	30		FJEBLP
CC(C)(C#N)[NH2+]C1CCC(C(C)(C)C2CCC([NH2+]C(C)(C)C#N)CC2)CC1	ZINC000255189480	518507572	/nfs/dbraw/zinc/50/75/72/518507572.db2.gz	QDARYJJCMWWGKI-UHFFFAOYSA-N	2	2	372.601	4.914	40	30		FJEBLP
C/C(CC(=O)c1ccccc1)=[NH+]/CCC/[NH+]=C(/C)CC(=O)c1ccccc1	ZINC000005502767	518474268	/nfs/dbraw/zinc/47/42/68/518474268.db2.gz	FQQYERHFBVGNBV-GJEUYDLNSA-N	2	2	362.473	4.844	40	30		FJEBLP
C/C(CC(=O)c1ccccc1)=[NH+]\CCC/[NH+]=C(\C)CC(=O)c1ccccc1	ZINC000103061331	518473953	/nfs/dbraw/zinc/47/39/53/518473953.db2.gz	FQQYERHFBVGNBV-SIHVKLMXSA-N	2	2	362.473	4.844	40	30		FJEBLP