smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCN(C(=[NH2+])NC(N)=[NH2+])CC2)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000072267001	553646798	/nfs/dbraw/zinc/64/67/98/553646798.db2.gz	DIRJDIBCAHCCFL-AQFAATAFSA-N	0	3	626.671	-1.591	50	30	in-man	KAEAHN
CN(C)[C@H]1C([O-])=C(C(=O)NCN2CCN(C(=[NH2+])NC(N)=[NH2+])CC2)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@H]12	ZINC000095750105	1066231589	/nfs/dbraw/zinc/23/15/89/1066231589.db2.gz	DIRJDIBCAHCCFL-QDPFABEJSA-N	0	3	626.671	-1.591	50	30		KAEAHN
CSCC[C@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000256005504	572304948	/nfs/dbraw/zinc/30/49/48/572304948.db2.gz	UWTASUKCZNGRDU-DZJNRPSUSA-N	0	3	523.660	-1.078	50	30		KAEAHN
CSCC[C@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000256005505	572304950	/nfs/dbraw/zinc/30/49/50/572304950.db2.gz	UWTASUKCZNGRDU-OWLYRPNTSA-N	0	3	523.660	-1.078	50	30		KAEAHN
CSCC[C@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)[O-]	ZINC000256005506	572304919	/nfs/dbraw/zinc/30/49/19/572304919.db2.gz	UWTASUKCZNGRDU-SPUZQDLCSA-N	0	3	523.660	-1.078	50	30		KAEAHN