smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCNCC3)[C@@H](O)[C@H]2O1)N1CCOCC1	ZINC000225514412	206484536	/nfs/dbraw/zinc/48/45/36/206484536.db2.gz	IVYNAOOJPUDXJV-GRLWTPEZSA-N	1	3	369.462	-1.137	40	0	biogenic,in-vitro	FAABHO
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCNCC3)[C@@H](O)[C@H]2O1	ZINC000225515972	483713276	/nfs/dbraw/zinc/71/32/76/483713276.db2.gz	KFYBFWMQNNAYRE-SZVRAQGESA-N	1	3	357.451	-1.234	40	0	biogenic,in-vitro	FAABHO
C[C@@]1(O)CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257231673	482961565	/nfs/dbraw/zinc/96/15/65/482961565.db2.gz	GHTSDWLDEBUYQN-HWWQOWPSSA-N	1	3	353.423	-1.070	40	0		FAABHO
C[C@@]1(O)CN(C(=O)[C@H](N)CCCC[NH3+])CC[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257231674	223030913	/nfs/dbraw/zinc/03/09/13/223030913.db2.gz	GHTSDWLDEBUYQN-XHBSWPGZSA-N	1	3	353.423	-1.070	40	0		FAABHO
C[C@@]1(O)CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257294068	223054261	/nfs/dbraw/zinc/05/42/61/223054261.db2.gz	QSHAUMLJDSAUHW-HWWQOWPSSA-N	1	3	353.423	-1.070	40	0		FAABHO
C[C@@]1(O)CCN(C(=O)[C@H](N)CCCC[NH3+])C[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257294069	223053785	/nfs/dbraw/zinc/05/37/85/223053785.db2.gz	QSHAUMLJDSAUHW-XHBSWPGZSA-N	1	3	353.423	-1.070	40	0		FAABHO