smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000178316815	546774300	/nfs/dbraw/zinc/77/43/00/546774300.db2.gz	XIPIBKWFZPNZHA-HXUWFJFHSA-N	2	1	369.513	2.381	10	10		FECEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000178316815	546774307	/nfs/dbraw/zinc/77/43/07/546774307.db2.gz	XIPIBKWFZPNZHA-HXUWFJFHSA-N	2	1	369.513	2.381	10	10		FECEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1	ZINC000154577263	544924010	/nfs/dbraw/zinc/92/40/10/544924010.db2.gz	WYARKDZFHSPEHY-IBGZPJMESA-N	2	1	355.486	2.038	10	10		FECEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1	ZINC000154577263	544924014	/nfs/dbraw/zinc/92/40/14/544924014.db2.gz	WYARKDZFHSPEHY-IBGZPJMESA-N	2	1	355.486	2.038	10	10		FECEMP
CC(=O)c1cc(F)cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O	ZINC000175648307	546327411	/nfs/dbraw/zinc/32/74/11/546327411.db2.gz	ZBBILFVLFDDPOM-ZDUSSCGKSA-N	2	1	352.450	2.259	10	10		FECEMP
CC(=O)c1cc(F)cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O	ZINC000175648307	546327413	/nfs/dbraw/zinc/32/74/13/546327413.db2.gz	ZBBILFVLFDDPOM-ZDUSSCGKSA-N	2	1	352.450	2.259	10	10		FECEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1	ZINC000154577379	544924575	/nfs/dbraw/zinc/92/45/75/544924575.db2.gz	WYARKDZFHSPEHY-LJQANCHMSA-N	2	1	355.486	2.038	10	10		FECEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1	ZINC000154577379	544924579	/nfs/dbraw/zinc/92/45/79/544924579.db2.gz	WYARKDZFHSPEHY-LJQANCHMSA-N	2	1	355.486	2.038	10	10		FECEMP
C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000151342186	544530249	/nfs/dbraw/zinc/53/02/49/544530249.db2.gz	KKTDPVNCNLFEHP-FUHWJXTLSA-N	2	1	365.493	2.160	10	10		FECEMP
C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000151342064	544530501	/nfs/dbraw/zinc/53/05/01/544530501.db2.gz	KKTDPVNCNLFEHP-WMZOPIPTSA-N	2	1	365.493	2.160	10	10		FECEMP
CC(=O)c1cc(F)cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O	ZINC000175648325	546327611	/nfs/dbraw/zinc/32/76/11/546327611.db2.gz	ZBBILFVLFDDPOM-CYBMUJFWSA-N	2	1	352.450	2.259	10	10		FECEMP
CC(=O)c1cc(F)cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O	ZINC000175648325	546327615	/nfs/dbraw/zinc/32/76/15/546327615.db2.gz	ZBBILFVLFDDPOM-CYBMUJFWSA-N	2	1	352.450	2.259	10	10		FECEMP
C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000151342127	544530128	/nfs/dbraw/zinc/53/01/28/544530128.db2.gz	KKTDPVNCNLFEHP-AEFFLSMTSA-N	2	1	365.493	2.160	10	10		FECEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000178316798	546774773	/nfs/dbraw/zinc/77/47/73/546774773.db2.gz	XIPIBKWFZPNZHA-FQEVSTJZSA-N	2	1	369.513	2.381	10	10		FECEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000178316798	546774777	/nfs/dbraw/zinc/77/47/77/546774777.db2.gz	XIPIBKWFZPNZHA-FQEVSTJZSA-N	2	1	369.513	2.381	10	10		FECEMP
C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000151342248	544530202	/nfs/dbraw/zinc/53/02/02/544530202.db2.gz	KKTDPVNCNLFEHP-SJLPKXTDSA-N	2	1	365.493	2.160	10	10		FECEMP