smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ncnc(NC2CCN(C)CC2)c1F	ZINC000217960111	172031587	/nfs/dbraw/zinc/03/15/87/172031587.db2.gz	GYOWYIJYOWFFGR-UHFFFAOYSA-N	0	3	238.310	1.684	50	70		BDIAHN
NCc1ccc(OC2CCC(=O)CC2)nc1	ZINC000217431383	388373003	/nfs/dbraw/zinc/37/30/03/388373003.db2.gz	YTINAOAZNBFNOQ-UHFFFAOYSA-N	0	3	220.272	1.431	50	70		BDIAHN
Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)[C@H](C)N	ZINC000160773716	132231893	/nfs/dbraw/zinc/23/18/93/132231893.db2.gz	IYDIBBDZPYHOBP-UWVGGRQHSA-N	0	3	234.299	1.456	50	70		BDIAHN
Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)[C@@H](C)N	ZINC000160774499	132231595	/nfs/dbraw/zinc/23/15/95/132231595.db2.gz	IYDIBBDZPYHOBP-VHSXEESVSA-N	0	3	234.299	1.456	50	70		BDIAHN
CC[C@H](N)C(=O)N[C@H]1CCC[C@@H](SC)C1	ZINC000161124483	388536145	/nfs/dbraw/zinc/53/61/45/388536145.db2.gz	KVNJSHCJVWKDGP-AEJSXWLSSA-N	0	3	230.377	1.514	50	70		BDIAHN
Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)N)CCO1	ZINC000160840620	358956786	/nfs/dbraw/zinc/95/67/86/358956786.db2.gz	VCFGDRIRKUPMJN-YPMHNXCESA-N	0	3	248.326	1.242	50	70		BDIAHN
Cc1ccc2c(c1)O[C@H](C)CN2C(=O)[C@H](C)N	ZINC000160773585	132231862	/nfs/dbraw/zinc/23/18/62/132231862.db2.gz	IYDIBBDZPYHOBP-ZJUUUORDSA-N	0	3	234.299	1.456	50	70		BDIAHN
Cc1ccc2c(c1)O[C@H](C)CN2C(=O)[C@@H](C)N	ZINC000160774372	132231919	/nfs/dbraw/zinc/23/19/19/132231919.db2.gz	IYDIBBDZPYHOBP-NXEZZACHSA-N	0	3	234.299	1.456	50	70		BDIAHN
CC[C@H](C)[C@@H](N)C(=O)N(C)CCSC	ZINC000159597602	171369866	/nfs/dbraw/zinc/36/98/66/171369866.db2.gz	OBSADOCXFLGHPT-DTWKUNHWSA-N	0	3	218.366	1.181	50	70		BDIAHN
COc1cccc2c(=O)c(CN(C)C)c(C)[nH]c12	ZINC000217428352	175298319	/nfs/dbraw/zinc/29/83/19/175298319.db2.gz	KAXOTFARINGDDO-UHFFFAOYSA-N	0	3	246.310	1.907	50	70		BDIAHN
COC[C@@H]1CCCN1Cc1ccc(N(C)C)nc1	ZINC000217068667	488029334	/nfs/dbraw/zinc/02/93/34/488029334.db2.gz	MAFWJTLLCZIKFR-ZDUSSCGKSA-N	0	3	249.358	1.758	50	70		BDIAHN
CCN(Cc1ccc(OC)nc1)C(C)(C)CO	ZINC000159724056	350985987	/nfs/dbraw/zinc/98/59/87/350985987.db2.gz	BYSXXJNKJLIPRH-UHFFFAOYSA-N	0	3	238.331	1.683	50	70		BDIAHN
Cc1ccccc1[C@H]1CN(C(=O)[C@@H](C)N)CCO1	ZINC000160840760	358956810	/nfs/dbraw/zinc/95/68/10/358956810.db2.gz	VCFGDRIRKUPMJN-DGCLKSJQSA-N	0	3	248.326	1.242	50	70		BDIAHN
CC[C@H](C)[C@H](N)C(=O)N(C)CCSC	ZINC000159597337	171393158	/nfs/dbraw/zinc/39/31/58/171393158.db2.gz	OBSADOCXFLGHPT-IUCAKERBSA-N	0	3	218.366	1.181	50	70		BDIAHN
CN1CCn2nc([C@H](O)c3ccccc3)cc2C1	ZINC000217002626	173175688	/nfs/dbraw/zinc/17/56/88/173175688.db2.gz	RQDGLNYZJNMCED-CQSZACIVSA-N	0	3	243.310	1.410	50	70		BDIAHN
CC[C@H](N)C(=O)N[C@H]1CCC[C@H](SC)C1	ZINC000161124272	388536326	/nfs/dbraw/zinc/53/63/26/388536326.db2.gz	KVNJSHCJVWKDGP-GUBZILKMSA-N	0	3	230.377	1.514	50	70		BDIAHN
CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](SC)C1	ZINC000161124396	388536138	/nfs/dbraw/zinc/53/61/38/388536138.db2.gz	KVNJSHCJVWKDGP-BBBLOLIVSA-N	0	3	230.377	1.514	50	70		BDIAHN
CN1CCn2nc([C@@H](O)c3ccccc3)cc2C1	ZINC000217002613	173175647	/nfs/dbraw/zinc/17/56/47/173175647.db2.gz	RQDGLNYZJNMCED-AWEZNQCLSA-N	0	3	243.310	1.410	50	70		BDIAHN
CN(C)[C@H]1CCN(C(=O)N2CCCCCC2)C1	ZINC000160554788	357061096	/nfs/dbraw/zinc/06/10/96/357061096.db2.gz	YPXHRAVGGAWMFN-LBPRGKRZSA-N	0	3	239.363	1.618	50	70		BDIAHN
Cc1ccccc1[C@@H]1CN(C(=O)[C@H](C)N)CCO1	ZINC000160839995	358957419	/nfs/dbraw/zinc/95/74/19/358957419.db2.gz	VCFGDRIRKUPMJN-AAEUAGOBSA-N	0	3	248.326	1.242	50	70		BDIAHN
CC[C@@H](C)[C@@H](N)C(=O)N(C)CCSC	ZINC000159597462	385673827	/nfs/dbraw/zinc/67/38/27/385673827.db2.gz	OBSADOCXFLGHPT-RKDXNWHRSA-N	0	3	218.366	1.181	50	70		BDIAHN
CC[C@H](N)C(=O)N[C@@H]1CCC[C@H](SC)C1	ZINC000161124160	388536093	/nfs/dbraw/zinc/53/60/93/388536093.db2.gz	KVNJSHCJVWKDGP-UTLUCORTSA-N	0	3	230.377	1.514	50	70		BDIAHN
CC(C)Cc1cc(CN2CCC[C@H]2CO)n[nH]1	ZINC000218748599	191132000	/nfs/dbraw/zinc/13/20/00/191132000.db2.gz	PIBOVFKUMDVPLT-ZDUSSCGKSA-N	0	3	237.347	1.565	50	70		BDIAHN
Cc1ccccc1[C@H]1CN(C(=O)[C@H](C)N)CCO1	ZINC000160840121	358956795	/nfs/dbraw/zinc/95/67/95/358956795.db2.gz	VCFGDRIRKUPMJN-WCQYABFASA-N	0	3	248.326	1.242	50	70		BDIAHN
CN(C)[C@@H]1CCN(C(=O)N2CCCCCC2)C1	ZINC000160554648	357061193	/nfs/dbraw/zinc/06/11/93/357061193.db2.gz	YPXHRAVGGAWMFN-GFCCVEGCSA-N	0	3	239.363	1.618	50	70		BDIAHN
CC[C@@H](C)[C@H](N)C(=O)N(C)CCSC	ZINC000159597197	385672668	/nfs/dbraw/zinc/67/26/68/385672668.db2.gz	OBSADOCXFLGHPT-BDAKNGLRSA-N	0	3	218.366	1.181	50	70		BDIAHN