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)NCc1cccc(C)c1)N(C)C	ZINC000161451809	169345521	/nfs/dbraw/zinc/34/55/21/169345521.db2.gz	YKEGDWXUMMSTJY-AWEZNQCLSA-N	0	3	248.370	2.342	10	70		BEIEHN
CCC[C@H](C(=O)N[C@H]1CCC[C@H](C)C1)N(C)C	ZINC000161479919	387227493	/nfs/dbraw/zinc/22/74/93/387227493.db2.gz	PEWYGBYEHUOAGR-RWMBFGLXSA-N	0	3	240.391	2.412	10	70		BEIEHN
CCC[C@@H](C(=O)N1CCCCCC1)N(C)C	ZINC000161132120	323148904	/nfs/dbraw/zinc/14/89/04/323148904.db2.gz	WCBHRNFDOUCUDS-LBPRGKRZSA-N	0	3	226.364	2.119	10	70		BEIEHN
CCCCN(CC)C(=O)[C@@H](CCC)N(C)C	ZINC000161198378	323320960	/nfs/dbraw/zinc/32/09/60/323320960.db2.gz	MZWHYSAYNOJOLO-GFCCVEGCSA-N	0	3	228.380	2.365	10	70		BEIEHN
CCC[C@@H](C(=O)NCc1ccccc1)N(C)C	ZINC000161139098	169345010	/nfs/dbraw/zinc/34/50/10/169345010.db2.gz	RWZCOIOWWZSHLE-ZDUSSCGKSA-N	0	3	234.343	2.033	10	70		BEIEHN
CCC[C@@H](C(=O)NCc1ccccc1C)N(C)C	ZINC000161258994	169345483	/nfs/dbraw/zinc/34/54/83/169345483.db2.gz	QTFPZASFGWROGV-AWEZNQCLSA-N	0	3	248.370	2.342	10	70		BEIEHN
CCSCCN1CCC[C@H]1c1cnn(C)c1	ZINC000160520930	384418576	/nfs/dbraw/zinc/41/85/76/384418576.db2.gz	FHCRMTOYFZISGB-LBPRGKRZSA-N	0	3	239.388	2.310	10	70		BEIEHN
CCC[C@H](C(=O)NCc1ccccc1C)N(C)C	ZINC000161259124	384475893	/nfs/dbraw/zinc/47/58/93/384475893.db2.gz	QTFPZASFGWROGV-CQSZACIVSA-N	0	3	248.370	2.342	10	70		BEIEHN
CCCCCNC(=O)[C@@H](CCC)N(C)C	ZINC000161134240	323148984	/nfs/dbraw/zinc/14/89/84/323148984.db2.gz	DGWJWADXUVWWJI-LLVKDONJSA-N	0	3	214.353	2.023	10	70		BEIEHN
CCCCCNC(=O)[C@H](CCC)N(C)C	ZINC000161134357	323149053	/nfs/dbraw/zinc/14/90/53/323149053.db2.gz	DGWJWADXUVWWJI-NSHDSACASA-N	0	3	214.353	2.023	10	70		BEIEHN
COc1cccc(CN[C@@H]2C[C@@H]2C)c1F	ZINC000160464615	488135913	/nfs/dbraw/zinc/13/59/13/488135913.db2.gz	WQFQARUQKLNWOW-WCBMZHEXSA-N	0	3	209.264	2.332	10	70		BEIEHN
CCC[C@H](C(=O)NCc1ccc(C)cc1)N(C)C	ZINC000161202945	169467091	/nfs/dbraw/zinc/46/70/91/169467091.db2.gz	ZAMZNZNSYUQZAE-CQSZACIVSA-N	0	3	248.370	2.342	10	70		BEIEHN
CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1CC1(C)C	ZINC000161328441	387191644	/nfs/dbraw/zinc/19/16/44/387191644.db2.gz	AXCXBTJMWPZHQJ-VXGBXAGGSA-N	0	3	240.391	2.125	10	70		BEIEHN
CCC[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)C	ZINC000161156134	323149435	/nfs/dbraw/zinc/14/94/35/323149435.db2.gz	BMZHEDXHJHGCSP-XQQFMLRXSA-N	0	3	240.391	2.221	10	70		BEIEHN
[O-]c1cc(F)cc(C[NH2+]CCC2CC2)c1	ZINC000159605889	183259695	/nfs/dbraw/zinc/25/96/95/183259695.db2.gz	WURSRIONXBCNJG-UHFFFAOYSA-N	0	3	209.264	2.421	10	70		BEIEHN
CCC[C@H](C(=O)NCCc1ccccc1)N(C)C	ZINC000161140163	384466816	/nfs/dbraw/zinc/46/68/16/384466816.db2.gz	BRHKLZCQMNOEHA-CQSZACIVSA-N	0	3	248.370	2.076	10	70		BEIEHN
CCC[C@H](C(=O)N[C@@H]1CCC[C@H](C)C1)N(C)C	ZINC000161479687	387228074	/nfs/dbraw/zinc/22/80/74/387228074.db2.gz	PEWYGBYEHUOAGR-YNEHKIRRSA-N	0	3	240.391	2.412	10	70		BEIEHN
COc1cccc(CN[C@H]2C[C@H]2C)c1F	ZINC000160464236	488136223	/nfs/dbraw/zinc/13/62/23/488136223.db2.gz	WQFQARUQKLNWOW-SCZZXKLOSA-N	0	3	209.264	2.332	10	70		BEIEHN
Cc1nc(CCNCc2ccoc2)cs1	ZINC000218097819	592151370	/nfs/dbraw/zinc/15/13/70/592151370.db2.gz	OKKNEZWQGLJZNI-UHFFFAOYSA-N	0	3	222.313	2.377	10	70		BEIEHN
CCSCCN1CCS[C@@H](C)C1	ZINC000160582827	349259699	/nfs/dbraw/zinc/25/96/99/349259699.db2.gz	CLRYTXYBSOJOHE-VIFPVBQESA-N	0	3	205.392	2.177	10	70		BEIEHN
CCn1cnnc1[C@@H]1CCCN(CC=C(C)C)C1	ZINC000161290575	349416525	/nfs/dbraw/zinc/41/65/25/349416525.db2.gz	SFVDWTWZFDHGGP-CYBMUJFWSA-N	0	3	248.374	2.444	10	70		BEIEHN
CCC[C@H](C(=O)N1CCCCCC1)N(C)C	ZINC000161132257	323148841	/nfs/dbraw/zinc/14/88/41/323148841.db2.gz	WCBHRNFDOUCUDS-GFCCVEGCSA-N	0	3	226.364	2.119	10	70		BEIEHN
CCC[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)C	ZINC000161156265	323149455	/nfs/dbraw/zinc/14/94/55/323149455.db2.gz	BMZHEDXHJHGCSP-FRRDWIJNSA-N	0	3	240.391	2.221	10	70		BEIEHN
CCC[C@H](C(=O)NCc1ccccc1)N(C)C	ZINC000161139232	384468025	/nfs/dbraw/zinc/46/80/25/384468025.db2.gz	RWZCOIOWWZSHLE-CYBMUJFWSA-N	0	3	234.343	2.033	10	70		BEIEHN
CCSCCN1CCC(c2cc[nH]n2)CC1	ZINC000160070002	384603422	/nfs/dbraw/zinc/60/34/22/384603422.db2.gz	HBKCAQDFZVXFRL-UHFFFAOYSA-N	0	3	239.388	2.342	10	70		BEIEHN
CCC[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)N(C)C	ZINC000161156487	323075825	/nfs/dbraw/zinc/07/58/25/323075825.db2.gz	BMZHEDXHJHGCSP-RWMBFGLXSA-N	0	3	240.391	2.221	10	70		BEIEHN
CCC[C@@H](C(=O)NCc1cccs1)N(C)C	ZINC000161209030	323075881	/nfs/dbraw/zinc/07/58/81/323075881.db2.gz	UGKYPQWXGJBYFO-NSHDSACASA-N	0	3	240.372	2.095	10	70		BEIEHN
CCC[C@@H](C(=O)NC1CCCCC1)N(C)C	ZINC000161139639	323149022	/nfs/dbraw/zinc/14/90/22/323149022.db2.gz	PMJXSNXFOAVINZ-LBPRGKRZSA-N	0	3	226.364	2.166	10	70		BEIEHN
COc1cccc(CN[C@H]2C[C@@H]2C)c1F	ZINC000160464377	488136000	/nfs/dbraw/zinc/13/60/00/488136000.db2.gz	WQFQARUQKLNWOW-WPRPVWTQSA-N	0	3	209.264	2.332	10	70		BEIEHN
C[C@H](N[C@@H]1CCC[C@@H](O)C1)c1ccco1	ZINC000217665208	490478743	/nfs/dbraw/zinc/47/87/43/490478743.db2.gz	QYLRZEGIXWRCLA-HBNTYKKESA-N	0	3	209.289	2.234	10	70		BEIEHN
CCC[C@H](C(=O)NCc1cccc(C)c1)N(C)C	ZINC000161451930	384491005	/nfs/dbraw/zinc/49/10/05/384491005.db2.gz	YKEGDWXUMMSTJY-CQSZACIVSA-N	0	3	248.370	2.342	10	70		BEIEHN
CCC[C@H](C(=O)NCCCC(C)C)N(C)C	ZINC000161486257	387227971	/nfs/dbraw/zinc/22/79/71/387227971.db2.gz	HGASHBLQKQZSOF-GFCCVEGCSA-N	0	3	228.380	2.269	10	70		BEIEHN
CCCCN(CC)C(=O)[C@H](CCC)N(C)C	ZINC000161198516	323320938	/nfs/dbraw/zinc/32/09/38/323320938.db2.gz	MZWHYSAYNOJOLO-LBPRGKRZSA-N	0	3	228.380	2.365	10	70		BEIEHN
CCn1cnnc1[C@H]1CCCN(CC=C(C)C)C1	ZINC000161290708	349416532	/nfs/dbraw/zinc/41/65/32/349416532.db2.gz	SFVDWTWZFDHGGP-ZDUSSCGKSA-N	0	3	248.374	2.444	10	70		BEIEHN
CCC[C@@H](C(=O)NCc1ccc(C)cc1)N(C)C	ZINC000161202844	169344813	/nfs/dbraw/zinc/34/48/13/169344813.db2.gz	ZAMZNZNSYUQZAE-AWEZNQCLSA-N	0	3	248.370	2.342	10	70		BEIEHN
CCSCCN1CCC[C@@H]1c1cnn(C)c1	ZINC000160520782	384418200	/nfs/dbraw/zinc/41/82/00/384418200.db2.gz	FHCRMTOYFZISGB-GFCCVEGCSA-N	0	3	239.388	2.310	10	70		BEIEHN
COC(CN1CCC[C@@H]1c1ccco1)OC	ZINC000161138341	385743644	/nfs/dbraw/zinc/74/36/44/385743644.db2.gz	SVSUOHPGVAVWMP-SNVBAGLBSA-N	0	3	225.288	2.035	10	70		BEIEHN
CCC[C@H](C(=O)NC1CCCCC1)N(C)C	ZINC000161139742	323149003	/nfs/dbraw/zinc/14/90/03/323149003.db2.gz	PMJXSNXFOAVINZ-GFCCVEGCSA-N	0	3	226.364	2.166	10	70		BEIEHN
COc1cccc(CN[C@@H]2C[C@H]2C)c1F	ZINC000160464498	488135878	/nfs/dbraw/zinc/13/58/78/488135878.db2.gz	WQFQARUQKLNWOW-PSASIEDQSA-N	0	3	209.264	2.332	10	70		BEIEHN
COC(CN1CCC[C@H]1c1ccco1)OC	ZINC000161138479	385744876	/nfs/dbraw/zinc/74/48/76/385744876.db2.gz	SVSUOHPGVAVWMP-JTQLQIEISA-N	0	3	225.288	2.035	10	70		BEIEHN
CCC[C@@H](C(=O)N(C)Cc1ccccc1)N(C)C	ZINC000161138292	169342777	/nfs/dbraw/zinc/34/27/77/169342777.db2.gz	UDJQDZKTERRDCJ-AWEZNQCLSA-N	0	3	248.370	2.375	10	70		BEIEHN
CCC[C@@H](C(=O)NCCc1ccccc1)N(C)C	ZINC000161140040	169344043	/nfs/dbraw/zinc/34/40/43/169344043.db2.gz	BRHKLZCQMNOEHA-AWEZNQCLSA-N	0	3	248.370	2.076	10	70		BEIEHN
CCC[C@H](C(=O)N(C)Cc1ccccc1)N(C)C	ZINC000161138441	384467033	/nfs/dbraw/zinc/46/70/33/384467033.db2.gz	UDJQDZKTERRDCJ-CQSZACIVSA-N	0	3	248.370	2.375	10	70		BEIEHN
c1cc(C2CCN(CCOCC3CC3)CC2)n[nH]1	ZINC000160069570	388045014	/nfs/dbraw/zinc/04/50/14/388045014.db2.gz	GSTZVZJDDTYUJR-UHFFFAOYSA-N	0	3	249.358	2.016	10	70		BEIEHN
C[C@H](N[C@H]1CCC[C@@H](O)C1)c1ccco1	ZINC000217665391	490479086	/nfs/dbraw/zinc/47/90/86/490479086.db2.gz	QYLRZEGIXWRCLA-GARJFASQSA-N	0	3	209.289	2.234	10	70		BEIEHN
C[C@@H](N)c1ccc(-c2cnn(C)c2)cc1F	ZINC000218537841	491082615	/nfs/dbraw/zinc/08/26/15/491082615.db2.gz	UTMUBOCMTDZOJA-MRVPVSSYSA-N	0	3	219.263	2.246	10	70		BEIEHN
CCC[C@H](C(=O)NCc1cccs1)N(C)C	ZINC000161209155	387149625	/nfs/dbraw/zinc/14/96/25/387149625.db2.gz	UGKYPQWXGJBYFO-LLVKDONJSA-N	0	3	240.372	2.095	10	70		BEIEHN
CCC[C@@H](C(=O)NCCCC(C)C)N(C)C	ZINC000161486143	387228205	/nfs/dbraw/zinc/22/82/05/387228205.db2.gz	HGASHBLQKQZSOF-LBPRGKRZSA-N	0	3	228.380	2.269	10	70		BEIEHN
O[C@@H]1CCC[C@H]1N1CCc2sccc2C1	ZINC000217800554	411267243	/nfs/dbraw/zinc/26/72/43/411267243.db2.gz	MQTNHUGYXUPCDH-GHMZBOCLSA-N	0	3	223.341	2.020	10	70		BEIEHN