smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2s1	ZINC000000604739	132228966	/nfs/dbraw/zinc/22/89/66/132228966.db2.gz	DZKFKYARPPSLED-UHFFFAOYSA-N	0	1	407.461	3.973	1	0		HHAFMN
COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2C[C@H]2c2ccccc2)CC1	ZINC000013526250	581096169	/nfs/dbraw/zinc/09/61/69/581096169.db2.gz	PTPSBYOWELRFJR-VXKWHMMOSA-N	0	1	407.558	3.517	1	0		HHAFMN
COc1cc(CCC(=O)C=C(O)CCC[C@H](O)CCc2cccc(O)c2)ccc1O	ZINC000085627121	291252826	/nfs/dbraw/zinc/25/28/26/291252826.db2.gz	ADLGPORJPYLWAY-IBGZPJMESA-N	0	1	414.498	3.731	1	0	biogenic,in-vitro	HHAFMN
CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CCCCC5)c4n3)cc2)CC1	ZINC000003815498	132268867	/nfs/dbraw/zinc/26/88/67/132268867.db2.gz	WILYEZRGOZWPED-UHFFFAOYSA-N	0	1	418.545	3.792	1	0		HHAFMN
O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCN(c3cccc(Cl)c3)CC2)o1	ZINC000026375996	132227306	/nfs/dbraw/zinc/22/73/06/132227306.db2.gz	SZPHVEWNGAHVKS-UHFFFAOYSA-N	0	1	401.869	3.792	1	0		HHAFMN
COc1ccccc1N1CCN(CCCCNC(=O)/C=C/C=C/c2ccccc2)CC1	ZINC000013526367	581096128	/nfs/dbraw/zinc/09/61/28/581096128.db2.gz	IOIJPOKENALSRI-VMUIEEQSSA-N	0	1	419.569	3.983	1	0		HHAFMN
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1	ZINC000013525812	581096122	/nfs/dbraw/zinc/09/61/22/581096122.db2.gz	CDDVHWKFFCJTOZ-UHFFFAOYSA-N	0	1	418.541	3.576	1	0		HHAFMN
O=S(=O)(c1cccc2ccccc21)N1CCN(Cc2cnc[nH]2)c2ccccc2C1	ZINC000013803047	581102223	/nfs/dbraw/zinc/10/22/23/581102223.db2.gz	QLYIRHSAPZHVEX-UHFFFAOYSA-N	0	1	418.522	3.774	1	0		HHAFMN
COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1	ZINC000013526246	581096200	/nfs/dbraw/zinc/09/62/00/581096200.db2.gz	PTPSBYOWELRFJR-FCHUYYIVSA-N	0	1	407.558	3.517	1	0		HHAFMN
COc1ccccc1N1CCN(CCCCNC(=O)c2nccc3ccccc32)CC1	ZINC000013526206	581096080	/nfs/dbraw/zinc/09/60/80/581096080.db2.gz	VGJNZAVHANBHEO-UHFFFAOYSA-N	0	1	418.541	3.576	1	0		HHAFMN
COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1	ZINC000013526239	581096137	/nfs/dbraw/zinc/09/61/37/581096137.db2.gz	PTPSBYOWELRFJR-FGZHOGPDSA-N	0	1	407.558	3.517	1	0		HHAFMN
FC(F)(F)c1cccc(N2CCN(CCc3nnc4n3C[C@@H]3CCC[C@H]43)CC2)c1	ZINC000000537940	132228731	/nfs/dbraw/zinc/22/87/31/132228731.db2.gz	BNRMWKUVWLKDQJ-YJBOKZPZSA-N	0	1	405.468	3.559	1	0	world	HHAFMN
C[C@@H]1C[C@@H](C)[C@H]2N(C1)c1c(F)cccc1C[C@@]21C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000036056346	558797185	/nfs/dbraw/zinc/79/71/85/558797185.db2.gz	ONVIKMVYVZZACB-QNXVYPBWSA-N	0	1	421.472	3.502	2	0		HHAFMN
COc1ccc2cc3cc(C(=O)Nc4ccccc4N4CCN(C)CC4)oc3nc2c1	ZINC000004057456	132270612	/nfs/dbraw/zinc/27/06/12/132270612.db2.gz	ZEIZWYDBHITCPR-UHFFFAOYSA-N	0	1	416.481	3.994	3	0		HHAFMN
CCN1CCN(c2ncc(C(=O)N3CCCc4ccccc43)c3ccccc32)CC1	ZINC000020108120	132470091	/nfs/dbraw/zinc/47/00/91/132470091.db2.gz	ZFNHJDXRLUUVJH-UHFFFAOYSA-N	0	1	400.526	3.970	3	0		HHAFMN
CC(C)(C)[C@H]1CCCC2=C1[NH2+]N(c1nc(C(N)=S)cs1)[C@]2([O-])C(F)(F)F	ZINC000036056960	558797233	/nfs/dbraw/zinc/79/72/33/558797233.db2.gz	OSUFIZIKVFXQCL-IQMYEBEASA-N	0	1	406.499	3.667	2	0		HHAFMN
O=S(=O)(NC1CCCC1)c1ccnc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc21	ZINC000230472716	581091093	/nfs/dbraw/zinc/09/10/93/581091093.db2.gz	JBHHWVFQIGPHPU-UHFFFAOYSA-N	0	1	410.421	3.865	1	0	in-vitro	HHAFMN
COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1	ZINC000013526243	581096145	/nfs/dbraw/zinc/09/61/45/581096145.db2.gz	PTPSBYOWELRFJR-YADHBBJMSA-N	0	1	407.558	3.517	1	0		HHAFMN
CCC[C@@H]1c2c(CO)c[nH]c2CC=C1C(=O)C=C(O)CCc1ccc(O)c(OC)c1	ZINC000103531686	291249623	/nfs/dbraw/zinc/24/96/23/291249623.db2.gz	XNTPOCNHAZUZFA-MOPGFXCFSA-N	0	1	410.490	3.695	1	0	biogenic,in-vitro	HHAFMN
CCC[C@@H]1c2c(CO)c[nH]c2CC=C1C(O)=CC(=O)CCc1ccc(O)c(OC)c1	ZINC000103531686	291249625	/nfs/dbraw/zinc/24/96/25/291249625.db2.gz	XNTPOCNHAZUZFA-MOPGFXCFSA-N	0	1	410.490	3.695	1	0	biogenic,in-vitro	HHAFMN
CC(C)(C)[C@H]1CCCC2=C1[NH2+]N(c1nc(C(N)=S)cs1)[C@]2([O-])C(F)(F)F	ZINC000036056962	558797190	/nfs/dbraw/zinc/79/71/90/558797190.db2.gz	OSUFIZIKVFXQCL-KOSWAMCASA-N	0	1	406.499	3.667	2	0		HHAFMN
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCC1(O)CCCC1	ZINC000085633005	291251990	/nfs/dbraw/zinc/25/19/90/291251990.db2.gz	LRRHVQVFDSFSRL-UHFFFAOYSA-N	0	1	412.438	3.954	1	0	biogenic,in-vitro	HHAFMN
Nc1nn(-c2cccc(-c3ccc4nc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O	ZINC000045365000	581098565	/nfs/dbraw/zinc/09/85/65/581098565.db2.gz	YLTMVGRORXEDOS-UHFFFAOYSA-N	0	1	420.476	3.951	1	0		HHAFMN
CCN1c2ncc(CCc3ccnc(N)c3)cc2C(=O)N(C)c2ccc(Cl)nc21	ZINC000006385130	581095846	/nfs/dbraw/zinc/09/58/46/581095846.db2.gz	CCJJPOCNADHZMF-UHFFFAOYSA-N	0	1	408.893	3.640	1	0		HHAFMN
COc1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1N1CCN(C)CC1	ZINC000000606494	132229000	/nfs/dbraw/zinc/22/90/00/132229000.db2.gz	PZKHOJOINFYJRB-UHFFFAOYSA-N	0	1	402.498	3.761	1	0		HHAFMN
C[C@H]1C[C@H](C)[C@H]2N(C1)c1c(F)cccc1C[C@@]21C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000036056345	558797227	/nfs/dbraw/zinc/79/72/27/558797227.db2.gz	ONVIKMVYVZZACB-SSYPPQKQSA-N	0	1	421.472	3.502	2	0		HHAFMN
C[C@@H]1C[C@H](C)CN2c3c(F)cccc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]12	ZINC000036056347	558797218	/nfs/dbraw/zinc/79/72/18/558797218.db2.gz	ONVIKMVYVZZACB-JWGOKDHHSA-N	0	1	421.472	3.502	2	0		HHAFMN
COc1ccccc1N1CCN(CCCCN2CCCc3ccccc3C2=O)CC1	ZINC000040403185	581096222	/nfs/dbraw/zinc/09/62/22/581096222.db2.gz	USGFBEWNXKQBDG-UHFFFAOYSA-N	0	1	407.558	3.686	1	0		HHAFMN