smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccco1	ZINC000514089650	262214846	/nfs/dbraw/zinc/21/48/46/262214846.db2.gz	QKSBXDABSGZGSU-SJORKVTESA-N	2	1	290.451	4.141	20	30		CIEDMP
C=CCC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccco1	ZINC000514089650	262214847	/nfs/dbraw/zinc/21/48/47/262214847.db2.gz	QKSBXDABSGZGSU-SJORKVTESA-N	2	1	290.451	4.141	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC1	ZINC000091334270	334376507	/nfs/dbraw/zinc/37/65/07/334376507.db2.gz	GSCLYQZSSVTNFQ-FQEVSTJZSA-N	2	1	298.474	4.076	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(C)cc2)CC1	ZINC000152950775	334529345	/nfs/dbraw/zinc/52/93/45/334529345.db2.gz	ZNTXNUZIPMTNTJ-IBGZPJMESA-N	2	1	286.463	4.076	20	30		CIEDMP
C=CCC[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccco1	ZINC000560549734	327323500	/nfs/dbraw/zinc/32/35/00/327323500.db2.gz	HBXZURVVBOLKON-DLBZAZTESA-N	2	1	290.451	4.141	20	30		CIEDMP
C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000572862292	334885665	/nfs/dbraw/zinc/88/56/65/334885665.db2.gz	XVQUZCJXFKTQPU-HNNXBMFYSA-N	2	1	297.446	4.434	20	30		CIEDMP
C=CCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1	ZINC000581320416	336048501	/nfs/dbraw/zinc/04/85/01/336048501.db2.gz	CPOITAJHWIRABV-RBUKOAKNSA-N	2	1	286.463	4.158	20	30		CIEDMP
C=CCCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1	ZINC000581320416	336048503	/nfs/dbraw/zinc/04/85/03/336048503.db2.gz	CPOITAJHWIRABV-RBUKOAKNSA-N	2	1	286.463	4.158	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)sc2C)CC1	ZINC000152950410	327301238	/nfs/dbraw/zinc/30/12/38/327301238.db2.gz	KZSUGZFCPGMGGM-AWEZNQCLSA-N	2	1	292.492	4.056	20	30		CIEDMP
C=CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1	ZINC000160021545	327586845	/nfs/dbraw/zinc/58/68/45/327586845.db2.gz	OHATVWWYNUFASU-IBGZPJMESA-N	2	1	297.446	4.269	20	30		CIEDMP
C=CCC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1	ZINC000423002447	330163737	/nfs/dbraw/zinc/16/37/37/330163737.db2.gz	YYXPQYLYPTXIBJ-UFYCRDLUSA-N	2	1	292.426	4.428	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3c2cccc3C)CC1	ZINC000504925967	332725356	/nfs/dbraw/zinc/72/53/56/332725356.db2.gz	GCLGNHAPDZFYNQ-APWZRJJASA-N	2	1	298.474	4.173	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(C)cc2)CC1	ZINC000152950865	334529351	/nfs/dbraw/zinc/52/93/51/334529351.db2.gz	ZNTXNUZIPMTNTJ-LJQANCHMSA-N	2	1	286.463	4.076	20	30		CIEDMP
C=CCCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000348189987	527169664	/nfs/dbraw/zinc/16/96/64/527169664.db2.gz	ZOCLGWSSTOGEFQ-HNNXBMFYSA-N	2	1	283.419	4.188	20	30		CIEDMP
C=CCC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccco1	ZINC000514089649	262214715	/nfs/dbraw/zinc/21/47/15/262214715.db2.gz	QKSBXDABSGZGSU-IRXDYDNUSA-N	2	1	290.451	4.141	20	30		CIEDMP
C=CCC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccco1	ZINC000514089649	262214717	/nfs/dbraw/zinc/21/47/17/262214717.db2.gz	QKSBXDABSGZGSU-IRXDYDNUSA-N	2	1	290.451	4.141	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cccc(C)c2)CC1	ZINC000552251384	334308875	/nfs/dbraw/zinc/30/88/75/334308875.db2.gz	UWJRNJAFRCVWBG-LJQANCHMSA-N	2	1	286.463	4.076	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1	ZINC000563294867	328010224	/nfs/dbraw/zinc/01/02/24/328010224.db2.gz	GYKLFDNXYBNTCZ-SFHVURJKSA-N	2	1	290.495	4.120	20	30		CIEDMP
C=CCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1	ZINC000423002445	330163838	/nfs/dbraw/zinc/16/38/38/330163838.db2.gz	YYXPQYLYPTXIBJ-SLFFLAALSA-N	2	1	292.426	4.428	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1	ZINC000474710845	331595469	/nfs/dbraw/zinc/59/54/69/331595469.db2.gz	JSABAHPWNJGQOM-SJORKVTESA-N	2	1	292.511	4.221	20	30		CIEDMP
C=CCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1	ZINC000423002439	330163783	/nfs/dbraw/zinc/16/37/83/330163783.db2.gz	YYXPQYLYPTXIBJ-AABGKKOBSA-N	2	1	292.426	4.428	20	30		CIEDMP
C=CC[NH+]1CCC([NH2+]Cc2ccc(C3CCCC3)cc2)CC1	ZINC000462787045	331328950	/nfs/dbraw/zinc/32/89/50/331328950.db2.gz	HRJLCJINQCVJKN-UHFFFAOYSA-N	2	1	298.474	4.084	20	30		CIEDMP
C=CCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1	ZINC000423002443	330163690	/nfs/dbraw/zinc/16/36/90/330163690.db2.gz	YYXPQYLYPTXIBJ-HSALFYBXSA-N	2	1	292.426	4.428	20	30		CIEDMP
C=CCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1	ZINC000581320415	336048375	/nfs/dbraw/zinc/04/83/75/336048375.db2.gz	CPOITAJHWIRABV-OALUTQOASA-N	2	1	286.463	4.158	20	30		CIEDMP
C=CCCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1	ZINC000581320415	336048377	/nfs/dbraw/zinc/04/83/77/336048377.db2.gz	CPOITAJHWIRABV-OALUTQOASA-N	2	1	286.463	4.158	20	30		CIEDMP
C=CCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1	ZINC000581320417	336048510	/nfs/dbraw/zinc/04/85/10/336048510.db2.gz	CPOITAJHWIRABV-RTBURBONSA-N	2	1	286.463	4.158	20	30		CIEDMP
C=CCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1	ZINC000581320417	336048512	/nfs/dbraw/zinc/04/85/12/336048512.db2.gz	CPOITAJHWIRABV-RTBURBONSA-N	2	1	286.463	4.158	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1	ZINC000563294863	328010206	/nfs/dbraw/zinc/01/02/06/328010206.db2.gz	GYKLFDNXYBNTCZ-GOSISDBHSA-N	2	1	290.495	4.120	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+]C2CCC(C(C)(C)C)CC2)CC1	ZINC000462743270	331326913	/nfs/dbraw/zinc/32/69/13/331326913.db2.gz	JUWVCPYZJFMTIR-UHFFFAOYSA-N	2	1	292.511	4.221	20	30		CIEDMP
C=CCC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccco1	ZINC000514089647	262215076	/nfs/dbraw/zinc/21/50/76/262215076.db2.gz	QKSBXDABSGZGSU-DLBZAZTESA-N	2	1	290.451	4.141	20	30		CIEDMP
C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccco1	ZINC000514089647	262215078	/nfs/dbraw/zinc/21/50/78/262215078.db2.gz	QKSBXDABSGZGSU-DLBZAZTESA-N	2	1	290.451	4.141	20	30		CIEDMP
C=C(C)C[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1	ZINC000348243111	265147119	/nfs/dbraw/zinc/14/71/19/265147119.db2.gz	RYFBOMJHTQPBFX-UHFFFAOYSA-N	2	1	297.446	4.050	20	30		CIEDMP
C=C(C)C[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1	ZINC000348243111	265147123	/nfs/dbraw/zinc/14/71/23/265147123.db2.gz	RYFBOMJHTQPBFX-UHFFFAOYSA-N	2	1	297.446	4.050	20	30		CIEDMP
C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1	ZINC000582765604	329154750	/nfs/dbraw/zinc/15/47/50/329154750.db2.gz	ZYMIQFOAARHNOK-ZWKOTPCHSA-N	2	1	286.463	4.014	20	30		CIEDMP
C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1	ZINC000582765604	329154751	/nfs/dbraw/zinc/15/47/51/329154751.db2.gz	ZYMIQFOAARHNOK-ZWKOTPCHSA-N	2	1	286.463	4.014	20	30		CIEDMP
C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1	ZINC000582765603	329154859	/nfs/dbraw/zinc/15/48/59/329154859.db2.gz	ZYMIQFOAARHNOK-ROUUACIJSA-N	2	1	286.463	4.014	20	30		CIEDMP
C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1	ZINC000582765603	329154860	/nfs/dbraw/zinc/15/48/60/329154860.db2.gz	ZYMIQFOAARHNOK-ROUUACIJSA-N	2	1	286.463	4.014	20	30		CIEDMP
C=CC[C@@H](CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000467408289	331274640	/nfs/dbraw/zinc/27/46/40/331274640.db2.gz	WNVZVGLJZBUBKU-YSTOQKLRSA-N	2	1	298.474	4.126	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](C)c3ccccc32)CC1	ZINC000361210000	266802273	/nfs/dbraw/zinc/80/22/73/266802273.db2.gz	WMMSCAHPCNQBEK-JXFKEZNVSA-N	2	1	298.474	4.255	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2)CC1	ZINC000153027182	334543583	/nfs/dbraw/zinc/54/35/83/334543583.db2.gz	GPJHLXAJDNEOHB-AWEZNQCLSA-N	2	1	292.854	4.031	20	30		CIEDMP
C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000572862293	334885578	/nfs/dbraw/zinc/88/55/78/334885578.db2.gz	XVQUZCJXFKTQPU-OAHLLOKOSA-N	2	1	297.446	4.434	20	30		CIEDMP
C=CCC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccco1	ZINC000514089648	262214917	/nfs/dbraw/zinc/21/49/17/262214917.db2.gz	QKSBXDABSGZGSU-IAGOWNOFSA-N	2	1	290.451	4.141	20	30		CIEDMP
C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccco1	ZINC000514089648	262214919	/nfs/dbraw/zinc/21/49/19/262214919.db2.gz	QKSBXDABSGZGSU-IAGOWNOFSA-N	2	1	290.451	4.141	20	30		CIEDMP
C=CCC[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccco1	ZINC000560549745	327323543	/nfs/dbraw/zinc/32/35/43/327323543.db2.gz	HBXZURVVBOLKON-SJORKVTESA-N	2	1	290.451	4.141	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)CC(C)C)CC1	ZINC000507482913	332808438	/nfs/dbraw/zinc/80/84/38/332808438.db2.gz	GDTXEKYDRGTBSI-SJORKVTESA-N	2	1	280.500	4.077	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccccc32)CC1	ZINC000482620676	331840525	/nfs/dbraw/zinc/84/05/25/331840525.db2.gz	PWFITWGGQGYRQK-IBGZPJMESA-N	2	1	298.474	4.039	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(CC)s2)CC1	ZINC000153048742	334549598	/nfs/dbraw/zinc/54/95/98/334549598.db2.gz	MCOQDNDXBMPZNI-CQSZACIVSA-N	2	1	292.492	4.002	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3c2cccc3C)CC1	ZINC000504925969	332725364	/nfs/dbraw/zinc/72/53/64/332725364.db2.gz	GCLGNHAPDZFYNQ-QFBILLFUSA-N	2	1	298.474	4.173	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3c2cccc3C)CC1	ZINC000504925968	332725370	/nfs/dbraw/zinc/72/53/70/332725370.db2.gz	GCLGNHAPDZFYNQ-LPHOPBHVSA-N	2	1	298.474	4.173	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccc(C)cc2)C2CC2)CC1	ZINC000091334271	334376510	/nfs/dbraw/zinc/37/65/10/334376510.db2.gz	GSCLYQZSSVTNFQ-HXUWFJFHSA-N	2	1	298.474	4.076	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccccc2)C(C)C)CC1	ZINC000091334285	334376593	/nfs/dbraw/zinc/37/65/93/334376593.db2.gz	CGZJWOZQLJEDJP-LJQANCHMSA-N	2	1	286.463	4.014	20	30		CIEDMP
C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1	ZINC000582765601	329154908	/nfs/dbraw/zinc/15/49/08/329154908.db2.gz	ZYMIQFOAARHNOK-MSOLQXFVSA-N	2	1	286.463	4.014	20	30		CIEDMP
C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1	ZINC000582765601	329154909	/nfs/dbraw/zinc/15/49/09/329154909.db2.gz	ZYMIQFOAARHNOK-MSOLQXFVSA-N	2	1	286.463	4.014	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H](CCC)c2ccccc2)CC1	ZINC000152930864	334525877	/nfs/dbraw/zinc/52/58/77/334525877.db2.gz	QUVCOPSELHUYEN-LJQANCHMSA-N	2	1	286.463	4.158	20	30		CIEDMP
C=CCC[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccco1	ZINC000560549740	327323524	/nfs/dbraw/zinc/32/35/24/327323524.db2.gz	HBXZURVVBOLKON-IAGOWNOFSA-N	2	1	290.451	4.141	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H](CCC)c2ccsc2)CC1	ZINC000187705802	263267058	/nfs/dbraw/zinc/26/70/58/263267058.db2.gz	IWAZPQKCCFXXJB-QGZVFWFLSA-N	2	1	292.492	4.219	20	30		CIEDMP
C=CCC[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccco1	ZINC000560549744	327323506	/nfs/dbraw/zinc/32/35/06/327323506.db2.gz	HBXZURVVBOLKON-IRXDYDNUSA-N	2	1	290.451	4.141	20	30		CIEDMP
C=CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1	ZINC000160021649	327587211	/nfs/dbraw/zinc/58/72/11/327587211.db2.gz	OHATVWWYNUFASU-LJQANCHMSA-N	2	1	297.446	4.269	20	30		CIEDMP
C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1	ZINC000582765602	329154842	/nfs/dbraw/zinc/15/48/42/329154842.db2.gz	ZYMIQFOAARHNOK-QZTJIDSGSA-N	2	1	286.463	4.014	20	30		CIEDMP
C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1	ZINC000582765602	329154843	/nfs/dbraw/zinc/15/48/43/329154843.db2.gz	ZYMIQFOAARHNOK-QZTJIDSGSA-N	2	1	286.463	4.014	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+]C(CC(C)C)CC(C)C)CC1	ZINC000462051562	331317074	/nfs/dbraw/zinc/31/70/74/331317074.db2.gz	UPGSVFNSAIISKL-UHFFFAOYSA-N	2	1	280.500	4.077	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)CC1	ZINC000504925970	332725340	/nfs/dbraw/zinc/72/53/40/332725340.db2.gz	GCLGNHAPDZFYNQ-VQIMIIECSA-N	2	1	298.474	4.173	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](CCC)c2ccsc2)CC1	ZINC000187705787	263267182	/nfs/dbraw/zinc/26/71/82/263267182.db2.gz	IWAZPQKCCFXXJB-KRWDZBQOSA-N	2	1	292.492	4.219	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(C)cc32)CC1	ZINC000535838780	328643332	/nfs/dbraw/zinc/64/33/32/328643332.db2.gz	FTEYEUFWPCGUPU-HXUWFJFHSA-N	2	1	298.474	4.003	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cccc(C)c2)CC1	ZINC000552251383	334308805	/nfs/dbraw/zinc/30/88/05/334308805.db2.gz	UWJRNJAFRCVWBG-IBGZPJMESA-N	2	1	286.463	4.076	20	30		CIEDMP
C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccccc2)C(C)C)CC1	ZINC000091334284	334376450	/nfs/dbraw/zinc/37/64/50/334376450.db2.gz	CGZJWOZQLJEDJP-IBGZPJMESA-N	2	1	286.463	4.014	20	30		CIEDMP
C=CCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1	ZINC000581320414	336048435	/nfs/dbraw/zinc/04/84/35/336048435.db2.gz	CPOITAJHWIRABV-MOPGFXCFSA-N	2	1	286.463	4.158	20	30		CIEDMP
C=CCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1	ZINC000581320414	336048436	/nfs/dbraw/zinc/04/84/36/336048436.db2.gz	CPOITAJHWIRABV-MOPGFXCFSA-N	2	1	286.463	4.158	20	30		CIEDMP