smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN/C(=[NH+]/C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(NCC)=[NH+]/C)cc3)cc2)cc1	ZINC000001687826	553982846	/nfs/dbraw/zinc/98/28/46/553982846.db2.gz	YIWSINVHGJJSKR-UHFFFAOYSA-N	2	0	484.604	4.163	40	30		JIEBRP
CCCCCCCC[NH+](CCO)CCOCCOCC[N@@H+](CCO)CCCCCCCC	ZINC000100924968	569776082	/nfs/dbraw/zinc/77/60/82/569776082.db2.gz	HMCKPNYQDPHCGR-UHFFFAOYSA-N	2	0	460.744	4.329	40	30		JIEBRP
CCOc1ccc(C(=O)C[n+]2ccc(-c3cc[n+](CC(=O)c4ccc(OCC)cc4)cc3)cc2)cc1	ZINC000026441646	556253794	/nfs/dbraw/zinc/25/37/94/556253794.db2.gz	XALHZTOHYLEOCJ-UHFFFAOYSA-N	2	0	482.580	4.492	40	30		JIEBRP
CNC(=[NH+]C)c1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(/C(NC)=[NH+]\C)cc3)cc2)cc1	ZINC000004726708	524036707	/nfs/dbraw/zinc/03/67/07/524036707.db2.gz	LNPOUMZMBRRGMX-UHFFFAOYSA-N	2	0	486.580	4.166	40	30		JIEBRP
C/[NH+]=C(\c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(=[NH+]\C)N(C)C)cc3)cc2)cc1)N(C)C	ZINC000017722358	556264591	/nfs/dbraw/zinc/26/45/91/556264591.db2.gz	JHEQNWBPSSIVPP-XDHTVYJESA-N	2	0	484.604	4.067	40	30		JIEBRP
C/[NH+]=C(\c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(=[NH+]/C)N(C)C)cc3)cc2)cc1)N(C)C	ZINC000104388201	569845608	/nfs/dbraw/zinc/84/56/08/569845608.db2.gz	JHEQNWBPSSIVPP-ZUSIYWPSSA-N	2	0	484.604	4.067	40	30		JIEBRP
CNC(=[NH+]C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(NC)=[NH+]\C)cc3)cc2Cl)cc1	ZINC000001691352	553982889	/nfs/dbraw/zinc/98/28/89/553982889.db2.gz	KUTPCAUJGMBRCV-UHFFFAOYSA-N	2	0	490.995	4.036	40	30		JIEBRP
CN(C)c1ccc([N+](=O)CC(=O)c2ccc(C(=O)C[N+](=O)c3ccc(N(C)C)cc3)cc2)cc1	ZINC000013402582	555395923	/nfs/dbraw/zinc/39/59/23/555395923.db2.gz	UKZIKTKDKGWOGI-LZUTUTKMSA-N	2	0	458.518	4.010	40	30		JIEBRP
C/[NH+]=C(/c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(=[NH+]/C)N(C)C)cc3)cc2)cc1)N(C)C	ZINC000104388207	569845602	/nfs/dbraw/zinc/84/56/02/569845602.db2.gz	JHEQNWBPSSIVPP-IDDWGTJGSA-N	2	0	484.604	4.067	40	30		JIEBRP