smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(F)c(N[C@@H]2CCc3ccc(C)cc32)c1	ZINC000160833439	330877088	/nfs/dbraw/zinc/87/70/88/330877088.db2.gz	BXXDMGIFZNVYAW-MRXNPFEDSA-N	0	0	271.335	4.242	10	70		CIIERN
CCc1ccc([C@H](C)NC(=O)NCc2cccc(C)c2)cc1	ZINC000217314470	333120131	/nfs/dbraw/zinc/12/01/31/333120131.db2.gz	SRBAJSHKCWSIQP-HNNXBMFYSA-N	0	0	296.414	4.118	10	70		CIIERN
CC[C@H](N[C@H]1COc2ccccc21)c1ccc(F)cc1F	ZINC000160837513	522760086	/nfs/dbraw/zinc/76/00/86/522760086.db2.gz	ICZQBRQTVCQDKO-HOTGVXAUSA-N	0	0	289.325	4.139	10	70		CIIERN
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N1CCC(C)CC1	ZINC000160537311	330866915	/nfs/dbraw/zinc/86/69/15/330866915.db2.gz	LJLVXUNAXHZBQC-CYBMUJFWSA-N	0	0	294.826	4.185	10	70		CIIERN
CCc1ccccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000160911462	330879346	/nfs/dbraw/zinc/87/93/46/330879346.db2.gz	CYJBCACHYQMPDU-QWHCGFSZSA-N	0	0	299.336	4.100	10	70		CIIERN
CCc1ccc([C@@H](C)NC(=O)NCc2cccc(C)c2)cc1	ZINC000217314469	333120181	/nfs/dbraw/zinc/12/01/81/333120181.db2.gz	SRBAJSHKCWSIQP-OAHLLOKOSA-N	0	0	296.414	4.118	10	70		CIIERN
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@@H](C)c1ccccc1C	ZINC000159543706	330848745	/nfs/dbraw/zinc/84/87/45/330848745.db2.gz	JBWDPKOKALUGHN-BPUTZDHNSA-N	0	0	299.439	4.346	10	70		CIIERN
CC1(C)CCC(C(=O)N2CCC[C@H]2c2ccco2)CC1	ZINC000160455190	520292526	/nfs/dbraw/zinc/29/25/26/520292526.db2.gz	AIFHFWMERMVGKE-AWEZNQCLSA-N	0	0	275.392	4.160	10	70		CIIERN
CCC(CC)NC(=O)N[C@H](C)c1ccc2c(c1)CCCC2	ZINC000217304928	333120147	/nfs/dbraw/zinc/12/01/47/333120147.db2.gz	KHMWMVDEQXTMIY-CYBMUJFWSA-N	0	0	288.435	4.114	10	70		CIIERN
CC1(C)CCC(C(=O)N2CCC[C@@H]2c2ccco2)CC1	ZINC000160455066	520291977	/nfs/dbraw/zinc/29/19/77/520291977.db2.gz	AIFHFWMERMVGKE-CQSZACIVSA-N	0	0	275.392	4.160	10	70		CIIERN
CC[C@@H](N[C@@H]1COc2ccccc21)c1ccc(F)cc1F	ZINC000160837369	522929707	/nfs/dbraw/zinc/92/97/07/522929707.db2.gz	ICZQBRQTVCQDKO-HZPDHXFCSA-N	0	0	289.325	4.139	10	70		CIIERN
CC[C@@H](N[C@H]1COc2ccccc21)c1ccc(F)cc1F	ZINC000160837651	522954326	/nfs/dbraw/zinc/95/43/26/522954326.db2.gz	ICZQBRQTVCQDKO-CVEARBPZSA-N	0	0	289.325	4.139	10	70		CIIERN
CC[C@H](Nc1nnc(C(F)(F)F)s1)c1cccs1	ZINC000160325553	264241789	/nfs/dbraw/zinc/24/17/89/264241789.db2.gz	AHKJMAGCHSWUKG-LURJTMIESA-N	0	0	293.339	4.182	10	70		CIIERN
CC[C@@H](Nc1nnc(C(F)(F)F)s1)c1cccs1	ZINC000160325657	264242328	/nfs/dbraw/zinc/24/23/28/264242328.db2.gz	AHKJMAGCHSWUKG-ZCFIWIBFSA-N	0	0	293.339	4.182	10	70		CIIERN
CC[C@H](N[C@@H]1COc2ccccc21)c1ccc(F)cc1F	ZINC000160837251	522723468	/nfs/dbraw/zinc/72/34/68/522723468.db2.gz	ICZQBRQTVCQDKO-JKSUJKDBSA-N	0	0	289.325	4.139	10	70		CIIERN
Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1C	ZINC000159543429	330848758	/nfs/dbraw/zinc/84/87/58/330848758.db2.gz	JBWDPKOKALUGHN-CWRNSKLLSA-N	0	0	299.439	4.346	10	70		CIIERN
CCC(CC)NC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2	ZINC000217304927	333120097	/nfs/dbraw/zinc/12/00/97/333120097.db2.gz	KHMWMVDEQXTMIY-ZDUSSCGKSA-N	0	0	288.435	4.114	10	70		CIIERN
CCc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000160911710	330879349	/nfs/dbraw/zinc/87/93/49/330879349.db2.gz	CYJBCACHYQMPDU-CHWSQXEVSA-N	0	0	299.336	4.100	10	70		CIIERN
CCc1ccccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000160911817	330879437	/nfs/dbraw/zinc/87/94/37/330879437.db2.gz	CYJBCACHYQMPDU-OLZOCXBDSA-N	0	0	299.336	4.100	10	70		CIIERN
CC[C@@H](NC(=O)c1cccc(C)c1F)c1ccccc1	ZINC000161438631	522792784	/nfs/dbraw/zinc/79/27/84/522792784.db2.gz	QSFKMIXFLKSYFA-OAHLLOKOSA-N	0	0	271.335	4.015	10	70		CIIERN
CC1(Cl)CN(C(c2ccccc2)c2ccccc2)C1	ZINC000218247297	570308920	/nfs/dbraw/zinc/30/89/20/570308920.db2.gz	BJNFCYWEFNNULQ-UHFFFAOYSA-N	0	0	271.791	4.089	10	70		CIIERN