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]1CCN2C[C@@H]1CCCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NCc1ccccc1	ZINC000072320705	553647995	/nfs/dbraw/zinc/64/79/95/553647995.db2.gz	YSMZRADRKOZIPW-DQEYMECFSA-N	2	2	519.690	2.530	40	10		KFCBLP
O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NCc1cccc(F)c1	ZINC000072320714	1059785533	/nfs/dbraw/zinc/78/55/33/1059785533.db2.gz	FRUZZETVSFOJOC-ZEQRLZLVSA-N	2	2	537.680	2.669	40	10		KFCBLP
CN(CC[NH+](C)C)c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)NCc3cccnc3)[C@H](C1)CCCO2	ZINC000072320727	553647984	/nfs/dbraw/zinc/64/79/84/553647984.db2.gz	VUKXRYFYUYWBMF-DQEYMECFSA-N	2	2	536.721	2.513	40	10		KFCBLP
CN(CC[NH+](C)C)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N(C)CCc3ccccn3)cc1C[NH2+]CC2=O	ZINC000100035330	554188224	/nfs/dbraw/zinc/18/82/24/554188224.db2.gz	KUWVYAGQQUNLMJ-LCEHABPXSA-N	2	2	562.759	2.674	40	10		KFCBLP
O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NCCC[NH+]3CCOCC3)C2=O)SC1=S)NCCC[NH+]1CCOCC1	ZINC000150406930	571480039	/nfs/dbraw/zinc/48/00/39/571480039.db2.gz	AWPLSSGFIUSHEJ-BYYHNAKLSA-N	2	2	743.056	2.716	40	10		KFCBLP
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NCc1ccccc1Cl	ZINC000958317621	1059748213	/nfs/dbraw/zinc/74/82/13/1059748213.db2.gz	PGJUGNLDWQFBMT-UPVQGACJSA-N	2	2	552.119	2.959	40	10		KFCBLP
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NCc1ccc(Cl)cc1	ZINC000958317622	1059748107	/nfs/dbraw/zinc/74/81/07/1059748107.db2.gz	PJZLDIHPTNYEHS-ZEQRLZLVSA-N	2	2	552.119	2.959	40	10		KFCBLP
CN(CC[NH+](C)C)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N(C)CCc3ccccn3)cc1C[NH2+]CC2=O	ZINC000958317649	1059748656	/nfs/dbraw/zinc/74/86/56/1059748656.db2.gz	KUWVYAGQQUNLMJ-UIOOFZCWSA-N	2	2	562.759	2.674	40	10		KFCBLP