smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@@H](CCC[NH3+])C(=O)[O-]	ZINC000004899571	482532353	/nfs/dbraw/zinc/53/23/53/482532353.db2.gz	SHMVFFURFKJDHA-SRVKXCTJSA-N	3	0	360.459	-2.415	40	0		FAABRP
C[NH+](C)CCCNCC(=O)N1CCN(C(=O)CNCCC[NH+](C)C)CC1	ZINC000004946097	482533044	/nfs/dbraw/zinc/53/30/44/482533044.db2.gz	WMZSUGHRPZSDLS-UHFFFAOYSA-N	2	0	370.542	-1.260	40	0		FAABRP
C[NH2+]Cc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NCCNC(C)=O)nn1	ZINC000008299078	291019117	/nfs/dbraw/zinc/01/91/17/291019117.db2.gz	IRPFARSCYZHWSG-IMJJTQAJSA-N	2	0	363.466	-1.040	40	0	biogenic,in-vitro	FAABRP
C[NH+](C)CCNC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O	ZINC000008627195	483727400	/nfs/dbraw/zinc/72/74/00/483727400.db2.gz	AMFMBLOUMHBZMZ-HDEZJCGLSA-N	2	0	352.435	-1.272	40	0	biogenic,in-vitro	FAABRP
O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CC[NH2+]CC3)[C@@H](O)[C@H]2O1)N1CCOCC1	ZINC000225514412	206484520	/nfs/dbraw/zinc/48/45/20/206484520.db2.gz	IVYNAOOJPUDXJV-GRLWTPEZSA-N	2	0	369.462	-1.137	40	0	biogenic,in-vitro	FAABRP
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CC[NH2+]CC3)[C@@H](O)[C@H]2O1	ZINC000225515972	483713267	/nfs/dbraw/zinc/71/32/67/483713267.db2.gz	KFYBFWMQNNAYRE-SZVRAQGESA-N	2	0	357.451	-1.234	40	0	biogenic,in-vitro	FAABRP
C[C@@]1(O)CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257231673	482961553	/nfs/dbraw/zinc/96/15/53/482961553.db2.gz	GHTSDWLDEBUYQN-HWWQOWPSSA-N	2	0	353.423	-1.070	40	0		FAABRP
C[C@@]1(O)CN(C(=O)[C@H]([NH3+])CCCC[NH3+])CC[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257231674	223030910	/nfs/dbraw/zinc/03/09/10/223030910.db2.gz	GHTSDWLDEBUYQN-XHBSWPGZSA-N	2	0	353.423	-1.070	40	0		FAABRP
C[C@@]1(O)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257294068	223054258	/nfs/dbraw/zinc/05/42/58/223054258.db2.gz	QSHAUMLJDSAUHW-HWWQOWPSSA-N	2	0	353.423	-1.070	40	0		FAABRP
C[C@@]1(O)CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])C[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257294069	223053783	/nfs/dbraw/zinc/05/37/83/223053783.db2.gz	QSHAUMLJDSAUHW-XHBSWPGZSA-N	2	0	353.423	-1.070	40	0		FAABRP