smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5ccc6c(c5)OCO6)c43)C2)CC1	ZINC000020503705	523771840	/nfs/dbraw/zinc/77/18/40/523771840.db2.gz	YMTYQACEEIDMAY-FUHWJXTLSA-N	2	2	450.539	2.343	10	0		JEAELP
C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5ccc6c(c5)OCO6)c43)C2)CC1	ZINC000020503705	523771848	/nfs/dbraw/zinc/77/18/48/523771848.db2.gz	YMTYQACEEIDMAY-FUHWJXTLSA-N	2	2	450.539	2.343	10	0		JEAELP
O=C(NCCC[NH+]1CCOCC1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1	ZINC000036256098	527671149	/nfs/dbraw/zinc/67/11/49/527671149.db2.gz	PJQDFSWIVKNJKK-HSZRJFAPSA-N	2	2	477.049	2.495	10	0		JEAELP
O=C(NCCC[NH+]1CCOCC1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1	ZINC000036256096	527672123	/nfs/dbraw/zinc/67/21/23/527672123.db2.gz	PJQDFSWIVKNJKK-QHCPKHFHSA-N	2	2	477.049	2.495	10	0		JEAELP
COc1cc(=O)n2c(c1C(=O)NCCCn1cc[nH+]c1)CC[N@@H+](Cc1ccc(F)cc1F)CC2	ZINC000020906155	195244871	/nfs/dbraw/zinc/24/48/71/195244871.db2.gz	IEHCZWDOJQOSNO-UHFFFAOYSA-N	2	2	471.508	2.210	10	0		JEAELP
COc1cc(=O)n2c(c1C(=O)NCCCn1cc[nH+]c1)CC[N@H+](Cc1ccc(F)cc1F)CC2	ZINC000020906155	195244873	/nfs/dbraw/zinc/24/48/73/195244873.db2.gz	IEHCZWDOJQOSNO-UHFFFAOYSA-N	2	2	471.508	2.210	10	0		JEAELP
COCc1cc(N2CC[NH+](C)CC2)nc(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)n1	ZINC000036061659	522927343	/nfs/dbraw/zinc/92/73/43/522927343.db2.gz	AVXROVJMPPAWIL-UHFFFAOYSA-N	2	2	470.643	2.055	10	0		JEAELP
O=C(NCC[NH+]1CCOCC1)c1ccc(N2CCC([NH2+]Cc3cnn(-c4ccccc4)n3)CC2)cc1	ZINC000014976814	526321130	/nfs/dbraw/zinc/32/11/30/526321130.db2.gz	ZMPLGGBIVCUSPX-UHFFFAOYSA-N	2	2	489.624	2.088	10	0		JEAELP