smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H](C(=O)N1CCc2ccccc21)N(C)C	ZINC000161169644	384469320	/nfs/dbraw/zinc/46/93/20/384469320.db2.gz	IQKYUOKUOGYTKS-CQSZACIVSA-N	0	1	246.354	2.306	10	70		BEIEMN
C(CN1CCO[C@H]2CCCC[C@H]21)OCC1CC1	ZINC000159626052	388024156	/nfs/dbraw/zinc/02/41/56/388024156.db2.gz	SWFKTEMQXZINNN-KGLIPLIRSA-N	0	1	239.359	2.056	10	70		BEIEMN
CCC[C@H](C(=O)Nc1ccccc1)N(C)C	ZINC000161142438	384466035	/nfs/dbraw/zinc/46/60/35/384466035.db2.gz	ZNYAGPLEKOESAS-GFCCVEGCSA-N	0	1	220.316	2.355	10	70		BEIEMN
C[C@H](N[C@@H]1CCC[C@H](O)C1)c1cscn1	ZINC000161164172	538914248	/nfs/dbraw/zinc/91/42/48/538914248.db2.gz	ARZQKDLIAUQUHM-AEJSXWLSSA-N	0	1	226.345	2.097	10	70		BEIEMN
CCC[C@@H](C(=O)Nc1ccc(F)cc1)N(C)C	ZINC000161146549	323075812	/nfs/dbraw/zinc/07/58/12/323075812.db2.gz	MZPXWZVQLFNDOU-LBPRGKRZSA-N	0	1	238.306	2.495	10	70		BEIEMN
CCC[C@H](C(=O)Nc1cccc(F)c1)N(C)C	ZINC000161149528	384470548	/nfs/dbraw/zinc/47/05/48/384470548.db2.gz	QCXDZUSNKQFYDB-GFCCVEGCSA-N	0	1	238.306	2.495	10	70		BEIEMN
CCC[C@@H](C(=O)Nc1ccc(C)cn1)N(C)C	ZINC000161474848	169346475	/nfs/dbraw/zinc/34/64/75/169346475.db2.gz	AZRAQQGNPPFEBS-NSHDSACASA-N	0	1	235.331	2.059	10	70		BEIEMN
C[C@H]1CN(Cc2cnc3ccccn23)CCS1	ZINC000159795881	323048112	/nfs/dbraw/zinc/04/81/12/323048112.db2.gz	ZVVNXPMWNODKDI-NSHDSACASA-N	0	1	247.367	2.272	10	70		BEIEMN
C[C@H](N[C@H]1CCC[C@H](O)C1)c1cscn1	ZINC000161164433	538914737	/nfs/dbraw/zinc/91/47/37/538914737.db2.gz	ARZQKDLIAUQUHM-GUBZILKMSA-N	0	1	226.345	2.097	10	70		BEIEMN
CC(C)OC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C	ZINC000160678610	323102617	/nfs/dbraw/zinc/10/26/17/323102617.db2.gz	AYDOQPRCDJTHJR-NWDGAFQWSA-N	0	1	240.347	2.090	10	70		BEIEMN
CC(C)OC(=O)N1C[C@H]2CCCCN2C[C@@H]1C	ZINC000160678610	323102618	/nfs/dbraw/zinc/10/26/18/323102618.db2.gz	AYDOQPRCDJTHJR-NWDGAFQWSA-N	0	1	240.347	2.090	10	70		BEIEMN
c1n[nH]c2cc3c(cc12)CC1(CCC3)OCCO1	ZINC000217863773	350075348	/nfs/dbraw/zinc/07/53/48/350075348.db2.gz	MQOYLEPDEZACKF-UHFFFAOYSA-N	0	1	244.294	2.185	10	70		BEIEMN
C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1cscn1	ZINC000218233786	538108634	/nfs/dbraw/zinc/10/86/34/538108634.db2.gz	ARZQKDLIAUQUHM-IVZWLZJFSA-N	0	1	226.345	2.097	10	70		BEIEMN
C(CN1CCO[C@@H]2CCCC[C@H]21)OCC1CC1	ZINC000159625896	411322213	/nfs/dbraw/zinc/32/22/13/411322213.db2.gz	SWFKTEMQXZINNN-ZIAGYGMSSA-N	0	1	239.359	2.056	10	70		BEIEMN
CO[C@@H]1CCC[C@@H]1N[C@@H](C)c1cscn1	ZINC000218237119	592153362	/nfs/dbraw/zinc/15/33/62/592153362.db2.gz	LTZGBLJPKMEQJC-ATZCPNFKSA-N	0	1	226.345	2.361	10	70		BEIEMN
CCC[C@@H](C(=O)N1CCc2ccccc21)N(C)C	ZINC000161169520	169343747	/nfs/dbraw/zinc/34/37/47/169343747.db2.gz	IQKYUOKUOGYTKS-AWEZNQCLSA-N	0	1	246.354	2.306	10	70		BEIEMN
CCC[C@@H](C(=O)Nc1ccccc1)N(C)C	ZINC000161142312	169346237	/nfs/dbraw/zinc/34/62/37/169346237.db2.gz	ZNYAGPLEKOESAS-LBPRGKRZSA-N	0	1	220.316	2.355	10	70		BEIEMN
CCC[C@H](C(=O)Nc1ccc(C)cn1)N(C)C	ZINC000161474965	384493521	/nfs/dbraw/zinc/49/35/21/384493521.db2.gz	AZRAQQGNPPFEBS-LLVKDONJSA-N	0	1	235.331	2.059	10	70		BEIEMN
CCC[C@H](C(=O)Nc1ccc(F)cc1)N(C)C	ZINC000161146640	351085140	/nfs/dbraw/zinc/08/51/40/351085140.db2.gz	MZPXWZVQLFNDOU-GFCCVEGCSA-N	0	1	238.306	2.495	10	70		BEIEMN
CCC[C@@H](C(=O)Nc1cccc(F)c1)N(C)C	ZINC000161149412	169346704	/nfs/dbraw/zinc/34/67/04/169346704.db2.gz	QCXDZUSNKQFYDB-LBPRGKRZSA-N	0	1	238.306	2.495	10	70		BEIEMN
C(CN1CCO[C@@H]2CCCC[C@@H]21)OCC1CC1	ZINC000159626186	388024347	/nfs/dbraw/zinc/02/43/47/388024347.db2.gz	SWFKTEMQXZINNN-UONOGXRCSA-N	0	1	239.359	2.056	10	70		BEIEMN
C[C@H](N[C@H]1CCC[C@@H](O)C1)c1cscn1	ZINC000218233942	491082618	/nfs/dbraw/zinc/08/26/18/491082618.db2.gz	ARZQKDLIAUQUHM-LPEHRKFASA-N	0	1	226.345	2.097	10	70		BEIEMN
CC(C)OC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C	ZINC000160678476	323102692	/nfs/dbraw/zinc/10/26/92/323102692.db2.gz	AYDOQPRCDJTHJR-VXGBXAGGSA-N	0	1	240.347	2.090	10	70		BEIEMN
CC(C)OC(=O)N1C[C@H]2CCCCN2C[C@H]1C	ZINC000160678476	323102693	/nfs/dbraw/zinc/10/26/93/323102693.db2.gz	AYDOQPRCDJTHJR-VXGBXAGGSA-N	0	1	240.347	2.090	10	70		BEIEMN
C(CN1CCO[C@H]2CCCC[C@@H]21)OCC1CC1	ZINC000159626317	386074395	/nfs/dbraw/zinc/07/43/95/386074395.db2.gz	SWFKTEMQXZINNN-KBPBESRZSA-N	0	1	239.359	2.056	10	70		BEIEMN