smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+](Cc1cccc(OCC[NH+]2CCN(C(=O)c3cccnc3)CC2)c1)C[C@@H]1CCC(=O)N1	ZINC000014968380	523318724	/nfs/dbraw/zinc/31/87/24/523318724.db2.gz	JAKJNBCDUKYLQW-QFIPXVFZSA-N	2	2	451.571	1.629	10	0		JDAELP
C[N@H+](Cc1cccc(OCC[NH+]2CCN(C(=O)c3cccnc3)CC2)c1)C[C@@H]1CCC(=O)N1	ZINC000014968380	523318731	/nfs/dbraw/zinc/31/87/31/523318731.db2.gz	JAKJNBCDUKYLQW-QFIPXVFZSA-N	2	2	451.571	1.629	10	0		JDAELP
COCC[NH+]1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)CC1	ZINC000011838652	555831878	/nfs/dbraw/zinc/83/18/78/555831878.db2.gz	AYDVBSWRNHRDBI-DEOSSOPVSA-N	2	2	450.583	1.835	10	0		JDAELP
COCC[NH+]1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2ccc(-c3ccccc3)cc2)CC1	ZINC000011838652	555831880	/nfs/dbraw/zinc/83/18/80/555831880.db2.gz	AYDVBSWRNHRDBI-DEOSSOPVSA-N	2	2	450.583	1.835	10	0		JDAELP
O=C(NCCC[NH+]1CCOCC1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1	ZINC000036256033	527670726	/nfs/dbraw/zinc/67/07/26/527670726.db2.gz	SYROAEMOMLXJAG-HSZRJFAPSA-N	2	2	460.594	1.981	10	0		JDAELP
COCC[NH+]1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)CC1	ZINC000011838654	555831897	/nfs/dbraw/zinc/83/18/97/555831897.db2.gz	AYDVBSWRNHRDBI-XMMPIXPASA-N	2	2	450.583	1.835	10	0		JDAELP
COCC[NH+]1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2ccc(-c3ccccc3)cc2)CC1	ZINC000011838654	555831900	/nfs/dbraw/zinc/83/19/00/555831900.db2.gz	AYDVBSWRNHRDBI-XMMPIXPASA-N	2	2	450.583	1.835	10	0		JDAELP
Cc1ccc(S(=O)(=O)N(CC[N@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CC[NH2+]CC2)cc1	ZINC000015869002	556048083	/nfs/dbraw/zinc/04/80/83/556048083.db2.gz	QJNSSBOPVLTGHG-FQEVSTJZSA-N	2	2	472.677	1.095	10	0		JDAELP
Cc1ccc(S(=O)(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CC[NH2+]CC2)cc1	ZINC000015869002	556048086	/nfs/dbraw/zinc/04/80/86/556048086.db2.gz	QJNSSBOPVLTGHG-FQEVSTJZSA-N	2	2	472.677	1.095	10	0		JDAELP
Cc1ccc(S(=O)(=O)N(CC[N@H+]2CCCC[C@H]2C)CCS(=O)(=O)N2CC[NH2+]CC2)cc1	ZINC000015869001	556047863	/nfs/dbraw/zinc/04/78/63/556047863.db2.gz	QJNSSBOPVLTGHG-HXUWFJFHSA-N	2	2	472.677	1.095	10	0		JDAELP
Cc1ccc(S(=O)(=O)N(CC[N@@H+]2CCCC[C@H]2C)CCS(=O)(=O)N2CC[NH2+]CC2)cc1	ZINC000015869001	556047867	/nfs/dbraw/zinc/04/78/67/556047867.db2.gz	QJNSSBOPVLTGHG-HXUWFJFHSA-N	2	2	472.677	1.095	10	0		JDAELP
C[N@@H+](Cc1cccc(OCC[NH+]2CCN(C(=O)c3cccnc3)CC2)c1)C[C@H]1CCC(=O)N1	ZINC000014968385	523319184	/nfs/dbraw/zinc/31/91/84/523319184.db2.gz	JAKJNBCDUKYLQW-JOCHJYFZSA-N	2	2	451.571	1.629	10	0		JDAELP
C[N@H+](Cc1cccc(OCC[NH+]2CCN(C(=O)c3cccnc3)CC2)c1)C[C@H]1CCC(=O)N1	ZINC000014968385	523319187	/nfs/dbraw/zinc/31/91/87/523319187.db2.gz	JAKJNBCDUKYLQW-JOCHJYFZSA-N	2	2	451.571	1.629	10	0		JDAELP
O=C(NCCC[NH+]1CCOCC1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1	ZINC000036256030	527671666	/nfs/dbraw/zinc/67/16/66/527671666.db2.gz	SYROAEMOMLXJAG-QHCPKHFHSA-N	2	2	460.594	1.981	10	0		JDAELP
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCOCC2)on1)N1CCN(c2cccc[nH+]2)CC1	ZINC000012482385	291464106	/nfs/dbraw/zinc/46/41/06/291464106.db2.gz	DGHDDPDUERVFHL-SFTDATJTSA-N	2	2	468.602	1.409	10	0		JDAELP
O=C(C[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@@H](O)[C@H]1O)N1CCN(c2cccc[nH+]2)CC1	ZINC000015675301	291464108	/nfs/dbraw/zinc/46/41/08/291464108.db2.gz	PWJWVOHZHNVSLR-JFSTXAPLSA-N	2	2	460.962	1.053	10	0	biogenic	JDAELP
COc1c(C)c[nH+]c(CN2CC(=O)N(CCC[NH+]3CCOCC3)c3c(Cl)nc(N)nc32)c1C	ZINC000043120929	563167537	/nfs/dbraw/zinc/16/75/37/563167537.db2.gz	CLQHGBVAEVNNOI-UHFFFAOYSA-N	2	2	475.981	1.808	10	0		JDAELP
Cn1nc(C(=O)N2CCCC2)c2c1CC[N@H+](Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)C2	ZINC000035527100	569699004	/nfs/dbraw/zinc/69/90/04/569699004.db2.gz	NPEJMPFEKIAGNQ-UHFFFAOYSA-N	2	2	450.587	1.602	10	0		JDAELP
Cn1nc(C(=O)N2CCCC2)c2c1CC[N@@H+](Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)C2	ZINC000035527100	569699006	/nfs/dbraw/zinc/69/90/06/569699006.db2.gz	NPEJMPFEKIAGNQ-UHFFFAOYSA-N	2	2	450.587	1.602	10	0		JDAELP