smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](CCC(=O)Nc1cccc2ccccc21)C(=O)N1CCNCC[NH2+]CCNCC1	ZINC000029130231	563075466	/nfs/dbraw/zinc/07/54/66/563075466.db2.gz	HXWYTBPGZRNVLO-FQEVSTJZSA-N	1	3	426.565	0.497	1	0		ICAFHO
N[C@H](CCC(=O)Nc1cccc2ccccc21)C(=O)N1CCNCC[NH2+]CCNCC1	ZINC000029130233	563075489	/nfs/dbraw/zinc/07/54/89/563075489.db2.gz	HXWYTBPGZRNVLO-HXUWFJFHSA-N	1	3	426.565	0.497	1	0		ICAFHO
O=S1(=O)c2ccccc2-c2nn(CC[NH2+]CCO)c3ccc(NCCNCCO)c1c32	ZINC000029324081	563077915	/nfs/dbraw/zinc/07/79/15/563077915.db2.gz	UPYLFQADDXPDEV-UHFFFAOYSA-N	1	3	445.545	0.425	1	0		ICAFHO
CC(C)c1ncc(C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)[nH]1	ZINC000045285623	563128207	/nfs/dbraw/zinc/12/82/07/563128207.db2.gz	LTDIWSJZMYDNEE-ROUUACIJSA-N	1	3	442.568	0.467	1	0		ICAFHO
CC(C)c1nc(C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)c[nH]1	ZINC000045285623	563128206	/nfs/dbraw/zinc/12/82/06/563128206.db2.gz	LTDIWSJZMYDNEE-ROUUACIJSA-N	1	3	442.568	0.467	1	0		ICAFHO
N[C@@H](CCCC[NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000045373958	563133545	/nfs/dbraw/zinc/13/35/45/563133545.db2.gz	DBVCYVIDQQXAAU-FHWLQOOXSA-N	1	3	433.553	0.095	1	0		ICAFHO
CNCCNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@H](O)C[C@]32[C@H](C)CC1	ZINC000103524861	291311989	/nfs/dbraw/zinc/31/19/89/291311989.db2.gz	ZLKLTONYPDNGSF-YNGQPRSESA-N	1	3	431.581	0.963	1	0	biogenic,in-vitro	ICAFHO