smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(C[C@H](O)CN3CCN4C(=O)C(=O)NC[C@@H]4C3)CC2)cc1	ZINC000754099878	1072094223	/nfs/dbraw/zinc/09/42/23/1072094223.db2.gz	ZKQLQDCLZNDXBM-MSOLQXFVSA-N	0	1	417.510	-1.179	20	10		HACDMN
COc1ccc(N2CCN(C[C@@H](O)CN3CCN4C(=O)C(=O)NC[C@@H]4C3)CC2)cc1	ZINC000754099892	1072094448	/nfs/dbraw/zinc/09/44/48/1072094448.db2.gz	ZKQLQDCLZNDXBM-QZTJIDSGSA-N	0	1	417.510	-1.179	20	10		HACDMN
COc1ccc(N2CCN(C[C@H](O)CN3CCN4C(=O)C(=O)NC[C@H]4C3)CC2)cc1	ZINC000754099893	1072094325	/nfs/dbraw/zinc/09/43/25/1072094325.db2.gz	ZKQLQDCLZNDXBM-ROUUACIJSA-N	0	1	417.510	-1.179	20	10		HACDMN
COc1ccc(N2CCN(C[C@@H](O)CN3CCN4C(=O)C(=O)NC[C@H]4C3)CC2)cc1	ZINC000754099894	1072094384	/nfs/dbraw/zinc/09/43/84/1072094384.db2.gz	ZKQLQDCLZNDXBM-ZWKOTPCHSA-N	0	1	417.510	-1.179	20	10		HACDMN
COc1ccc(N2CCN(C[C@H](O)CN3CCN(S(N)(=O)=O)CC3)CC2)cc1	ZINC000779222852	1072039474	/nfs/dbraw/zinc/03/94/74/1072039474.db2.gz	XLTGVWCVPRMBMP-KRWDZBQOSA-N	0	1	413.544	-1.001	20	10		HACDMN
COc1ccc(N2CCN(C[C@@H](O)CN3CCN(S(N)(=O)=O)CC3)CC2)cc1	ZINC000779222853	1072039300	/nfs/dbraw/zinc/03/93/00/1072039300.db2.gz	XLTGVWCVPRMBMP-QGZVFWFLSA-N	0	1	413.544	-1.001	20	10		HACDMN
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1C(=O)CSC1=S	ZINC001144852534	1071741463	/nfs/dbraw/zinc/74/14/63/1071741463.db2.gz	BRJYUBZIXPDIDW-QWRGUYRKSA-N	0	1	424.508	-1.226	20	10		HACDMN
CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)CNC(=O)CNC(=O)CN	ZINC001161135160	1072219684	/nfs/dbraw/zinc/21/96/84/1072219684.db2.gz	UNUWDEMAJDHYCS-UHFFFAOYSA-N	0	1	406.487	-1.592	20	10		HACDMN
Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N3CN[C@H](N)[C@H]4NCN[C@@H]43)cc12	ZINC001184361057	1071828113	/nfs/dbraw/zinc/82/81/13/1071828113.db2.gz	VITVEPHUPIEUCN-CEXWTWQISA-N	0	1	402.455	-1.242	20	10		HACDMN
Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N3CN[C@H](N)[C@@H]4NCN[C@H]43)cc12	ZINC001184361070	1071828282	/nfs/dbraw/zinc/82/82/82/1071828282.db2.gz	VITVEPHUPIEUCN-FHWLQOOXSA-N	0	1	402.455	-1.242	20	10		HACDMN
Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N3CN[C@H](N)[C@@H]4NCN[C@@H]43)cc12	ZINC001184361074	1071828364	/nfs/dbraw/zinc/82/83/64/1071828364.db2.gz	VITVEPHUPIEUCN-GBESFXJTSA-N	0	1	402.455	-1.242	20	10		HACDMN
Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N3CN[C@H](N)[C@H]4NCN[C@H]43)cc12	ZINC001184361077	1071828137	/nfs/dbraw/zinc/82/81/37/1071828137.db2.gz	VITVEPHUPIEUCN-QYZOEREBSA-N	0	1	402.455	-1.242	20	10		HACDMN
CNC(=O)CN(CC(=O)NC)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	ZINC001620554931	1072666459	/nfs/dbraw/zinc/66/64/59/1072666459.db2.gz	HMBSLKZREGPKPK-KRWDZBQOSA-N	0	1	407.515	-1.028	20	10		HACDMN
CNC(=O)CN(CC(=O)NC)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	ZINC001620554932	1072666661	/nfs/dbraw/zinc/66/66/61/1072666661.db2.gz	HMBSLKZREGPKPK-QGZVFWFLSA-N	0	1	407.515	-1.028	20	10		HACDMN
NC(=O)[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C(N)=O	ZINC001643814350	1072733011	/nfs/dbraw/zinc/73/30/11/1072733011.db2.gz	IYKJOJVWIROXOD-KBPBESRZSA-N	0	1	407.446	-1.203	20	10		HACDMN
NC(=O)[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(N)=O	ZINC001643814351	1072733201	/nfs/dbraw/zinc/73/32/01/1072733201.db2.gz	IYKJOJVWIROXOD-OKILXGFUSA-N	0	1	407.446	-1.203	20	10		HACDMN
NC(=O)[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(N)=O	ZINC001643814352	1072733023	/nfs/dbraw/zinc/73/30/23/1072733023.db2.gz	IYKJOJVWIROXOD-ZIAGYGMSSA-N	0	1	407.446	-1.203	20	10		HACDMN
COc1ccc(N2CCN(C[C@H](O)CN3CCN(CC(N)=O)C(=O)C3)CC2)cc1	ZINC001654691554	1072754101	/nfs/dbraw/zinc/75/41/01/1072754101.db2.gz	VJTCFFWPXRLKCV-KRWDZBQOSA-N	0	1	405.499	-1.192	20	10		HACDMN
COc1ccc(N2CCN(C[C@@H](O)CN3CCN(CC(N)=O)C(=O)C3)CC2)cc1	ZINC001654691555	1072754186	/nfs/dbraw/zinc/75/41/86/1072754186.db2.gz	VJTCFFWPXRLKCV-QGZVFWFLSA-N	0	1	405.499	-1.192	20	10		HACDMN