smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)c1	ZINC000216912849	230396539	/nfs/dbraw/zinc/39/65/39/230396539.db2.gz	OANZNQBKWIWYOU-MRXNPFEDSA-N	1	1	274.408	2.386	40	70		CEIBMO
C[N@H+]1CCC[C@@H](C(=O)NCCCSCc2ccco2)C1	ZINC000216916523	530054333	/nfs/dbraw/zinc/05/43/33/530054333.db2.gz	OOJAKLBQZDLNBU-CYBMUJFWSA-N	1	1	296.436	2.361	40	70		CEIBMO
C[N@H+]1CCC[C@H](C(=O)NCCCSCc2ccco2)C1	ZINC000216916550	530060093	/nfs/dbraw/zinc/06/00/93/530060093.db2.gz	OOJAKLBQZDLNBU-ZDUSSCGKSA-N	1	1	296.436	2.361	40	70		CEIBMO
CCOc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000216914121	528650927	/nfs/dbraw/zinc/65/09/27/528650927.db2.gz	GPSUWGOYRQLEOR-CQSZACIVSA-N	1	1	276.380	2.043	40	70		CEIBMO
C[N@H+]1CCC[C@@H](C(=O)NCCCc2ccc(F)cc2)C1	ZINC000216912163	530054400	/nfs/dbraw/zinc/05/44/00/530054400.db2.gz	KBVAJQLACPGBIV-CQSZACIVSA-N	1	1	278.371	2.216	40	70		CEIBMO
C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216910538	262341888	/nfs/dbraw/zinc/34/18/88/262341888.db2.gz	VBIPMXKLOBSNLC-HOCLYGCPSA-N	1	1	274.408	2.466	40	70		CEIBMO
COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000216907132	394452891	/nfs/dbraw/zinc/45/28/91/394452891.db2.gz	SMUTXHNIMGKHNL-CYBMUJFWSA-N	1	1	290.363	2.062	40	70		CEIBMO
C[N@H+]1CCC[C@@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000216909916	262341926	/nfs/dbraw/zinc/34/19/26/262341926.db2.gz	GSQCEVHUQBKTNS-UZZMVUAXSA-N	1	1	276.424	2.413	40	70		CEIBMO
Cc1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216916128	533860883	/nfs/dbraw/zinc/86/08/83/533860883.db2.gz	HSZZLTMVWKNHSN-OAHLLOKOSA-N	1	1	260.381	2.295	40	70		CEIBMO
COc1ccccc1CCCNC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216912236	534028909	/nfs/dbraw/zinc/02/89/09/534028909.db2.gz	KGTACBSLFGRNSW-OAHLLOKOSA-N	1	1	290.407	2.086	40	70		CEIBMO
CC(C)Oc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216914268	528159649	/nfs/dbraw/zinc/15/96/49/528159649.db2.gz	RUZSDBPIQNMNOR-OAHLLOKOSA-N	1	1	290.407	2.432	40	70		CEIBMO
C[N@H+]1CCc2nc(-c3cccc(Cl)c3)[nH]c(=O)c2C1	ZINC000216845452	262341361	/nfs/dbraw/zinc/34/13/61/262341361.db2.gz	FRGZGBPBOWGWNT-UHFFFAOYSA-N	1	1	275.739	2.078	40	70		CEIBMO
CCOc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216913229	528452171	/nfs/dbraw/zinc/45/21/71/528452171.db2.gz	OIQIAEXRECGTHN-CQSZACIVSA-N	1	1	276.380	2.043	40	70		CEIBMO
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216917496	394453120	/nfs/dbraw/zinc/45/31/20/394453120.db2.gz	AORCLLPVKYNSPA-HUUCEWRRSA-N	1	1	290.407	2.220	40	70		CEIBMO
Cc1ccc(Nc2cc(N3CC[NH+](C)CC3)ncn2)cc1	ZINC000216845932	262341439	/nfs/dbraw/zinc/34/14/39/262341439.db2.gz	GOKXOVOPWYBWPH-UHFFFAOYSA-N	1	1	283.379	2.280	40	70		CEIBMO
C[NH+]1CCN(c2cc(Nc3ccccc3F)ncn2)CC1	ZINC000216846368	262341426	/nfs/dbraw/zinc/34/14/26/262341426.db2.gz	SUJBBVKIMDSYPF-UHFFFAOYSA-N	1	1	287.342	2.111	40	70		CEIBMO
Cc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216916158	394453113	/nfs/dbraw/zinc/45/31/13/394453113.db2.gz	HSZZLTMVWKNHSN-HNNXBMFYSA-N	1	1	260.381	2.295	40	70		CEIBMO
CC(C)Oc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216914293	528159964	/nfs/dbraw/zinc/15/99/64/528159964.db2.gz	RUZSDBPIQNMNOR-HNNXBMFYSA-N	1	1	290.407	2.432	40	70		CEIBMO
C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216910570	262341648	/nfs/dbraw/zinc/34/16/48/262341648.db2.gz	VBIPMXKLOBSNLC-ZBFHGGJFSA-N	1	1	274.408	2.466	40	70		CEIBMO
Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216917517	394453234	/nfs/dbraw/zinc/45/32/34/394453234.db2.gz	AORCLLPVKYNSPA-LSDHHAIUSA-N	1	1	290.407	2.220	40	70		CEIBMO
C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216910505	262341936	/nfs/dbraw/zinc/34/19/36/262341936.db2.gz	VBIPMXKLOBSNLC-GDBMZVCRSA-N	1	1	274.408	2.466	40	70		CEIBMO
C[N@H+]1CCC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000216909948	262341823	/nfs/dbraw/zinc/34/18/23/262341823.db2.gz	GSQCEVHUQBKTNS-RDVIWEACSA-N	1	1	276.424	2.413	40	70		CEIBMO
C[N@H+]1CCC[C@@H](C(=O)NCCCc2ccccc2)C1	ZINC000216912707	530054420	/nfs/dbraw/zinc/05/44/20/530054420.db2.gz	HUXRUWVSXUGOGC-OAHLLOKOSA-N	1	1	260.381	2.077	40	70		CEIBMO
COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216914480	533105281	/nfs/dbraw/zinc/10/52/81/533105281.db2.gz	QHFZUPMUQGPBSS-OCCSQVGLSA-N	1	1	276.380	2.214	40	70		CEIBMO
COc1ccc(CCCNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216912311	533473401	/nfs/dbraw/zinc/47/34/01/533473401.db2.gz	QDJXFUNBJKBHAU-OAHLLOKOSA-N	1	1	290.407	2.086	40	70		CEIBMO
Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216917540	394453072	/nfs/dbraw/zinc/45/30/72/394453072.db2.gz	AORCLLPVKYNSPA-CABCVRRESA-N	1	1	290.407	2.220	40	70		CEIBMO
C[N@H+]1CCC[C@H](C(=O)NCCCc2ccc(F)cc2)C1	ZINC000216912193	530060279	/nfs/dbraw/zinc/06/02/79/530060279.db2.gz	KBVAJQLACPGBIV-AWEZNQCLSA-N	1	1	278.371	2.216	40	70		CEIBMO
Cn1ccnc1C[N@@H+]1CCC[C@H](c2nccs2)C1	ZINC000160892231	367041359	/nfs/dbraw/zinc/04/13/59/367041359.db2.gz	ZKCXGSZJHMBION-NSHDSACASA-N	1	1	262.382	2.256	40	70		CEIBMO
Cn1ccnc1C[N@H+]1CCC[C@H](c2nccs2)C1	ZINC000160892231	367041365	/nfs/dbraw/zinc/04/13/65/367041365.db2.gz	ZKCXGSZJHMBION-NSHDSACASA-N	1	1	262.382	2.256	40	70		CEIBMO
COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](C)C2)c1	ZINC000216907161	394452758	/nfs/dbraw/zinc/45/27/58/394452758.db2.gz	SMUTXHNIMGKHNL-ZDUSSCGKSA-N	1	1	290.363	2.062	40	70		CEIBMO
C[N@H+]1CCC[C@H](C(=O)NCCCOC2CCCCC2)C1	ZINC000216917122	530060122	/nfs/dbraw/zinc/06/01/22/530060122.db2.gz	LAUJSRIOMYJZIN-AWEZNQCLSA-N	1	1	282.428	2.184	40	70		CEIBMO
COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216914507	533164101	/nfs/dbraw/zinc/16/41/01/533164101.db2.gz	QHFZUPMUQGPBSS-JSGCOSHPSA-N	1	1	276.380	2.214	40	70		CEIBMO
CCOc1cccc(CNC(=O)[C@H]2CCC[N@@H+](C)C2)c1	ZINC000216914148	528650514	/nfs/dbraw/zinc/65/05/14/528650514.db2.gz	GPSUWGOYRQLEOR-AWEZNQCLSA-N	1	1	276.380	2.043	40	70		CEIBMO
C[N@H+]1CCC[C@@H](C(=O)NCCCOC2CCCCC2)C1	ZINC000216917095	530054321	/nfs/dbraw/zinc/05/43/21/530054321.db2.gz	LAUJSRIOMYJZIN-CQSZACIVSA-N	1	1	282.428	2.184	40	70		CEIBMO
C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216910476	262341658	/nfs/dbraw/zinc/34/16/58/262341658.db2.gz	VBIPMXKLOBSNLC-GOEBONIOSA-N	1	1	274.408	2.466	40	70		CEIBMO
Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216917562	230396512	/nfs/dbraw/zinc/39/65/12/230396512.db2.gz	AORCLLPVKYNSPA-GJZGRUSLSA-N	1	1	290.407	2.220	40	70		CEIBMO
C[NH+]1CCN(c2cc(Nc3cccc(F)c3)ncn2)CC1	ZINC000216846409	262341394	/nfs/dbraw/zinc/34/13/94/262341394.db2.gz	QDVMUTQCMLSGFN-UHFFFAOYSA-N	1	1	287.342	2.111	40	70		CEIBMO
Cn1ccnc1C[N@@H+]1CCC[C@@H](c2nccs2)C1	ZINC000160892368	367041567	/nfs/dbraw/zinc/04/15/67/367041567.db2.gz	ZKCXGSZJHMBION-LLVKDONJSA-N	1	1	262.382	2.256	40	70		CEIBMO
Cn1ccnc1C[N@H+]1CCC[C@@H](c2nccs2)C1	ZINC000160892368	367041570	/nfs/dbraw/zinc/04/15/70/367041570.db2.gz	ZKCXGSZJHMBION-LLVKDONJSA-N	1	1	262.382	2.256	40	70		CEIBMO
CCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216913251	528453232	/nfs/dbraw/zinc/45/32/32/528453232.db2.gz	OIQIAEXRECGTHN-AWEZNQCLSA-N	1	1	276.380	2.043	40	70		CEIBMO
COc1ccc(CCCNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216912340	533473289	/nfs/dbraw/zinc/47/32/89/533473289.db2.gz	QDJXFUNBJKBHAU-HNNXBMFYSA-N	1	1	290.407	2.086	40	70		CEIBMO
CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216914191	528728969	/nfs/dbraw/zinc/72/89/69/528728969.db2.gz	FBMZOCULLIHVLO-CQSZACIVSA-N	1	1	276.380	2.043	40	70		CEIBMO
Cc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000216912777	230396488	/nfs/dbraw/zinc/39/64/88/230396488.db2.gz	RXRHPJKAIGHRNO-MRXNPFEDSA-N	1	1	274.408	2.386	40	70		CEIBMO
C[N@H+]1CCC[C@H](C(=O)NCCCc2ccccc2)C1	ZINC000216912736	530060211	/nfs/dbraw/zinc/06/02/11/530060211.db2.gz	HUXRUWVSXUGOGC-HNNXBMFYSA-N	1	1	260.381	2.077	40	70		CEIBMO
Cc1nc(Nc2ccccc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216848208	262341404	/nfs/dbraw/zinc/34/14/04/262341404.db2.gz	NDSNAKUVUVIYCP-UHFFFAOYSA-N	1	1	283.379	2.280	40	70		CEIBMO
COc1ccccc1CCCNC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216912265	534029711	/nfs/dbraw/zinc/02/97/11/534029711.db2.gz	KGTACBSLFGRNSW-HNNXBMFYSA-N	1	1	290.407	2.086	40	70		CEIBMO
CCOc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216914219	528729522	/nfs/dbraw/zinc/72/95/22/528729522.db2.gz	FBMZOCULLIHVLO-AWEZNQCLSA-N	1	1	276.380	2.043	40	70		CEIBMO
Cc1cccc(CCCNC(=O)[C@H]2CCC[N@H+](C)C2)c1	ZINC000216912872	230396644	/nfs/dbraw/zinc/39/66/44/230396644.db2.gz	OANZNQBKWIWYOU-INIZCTEOSA-N	1	1	274.408	2.386	40	70		CEIBMO
COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216914455	533163620	/nfs/dbraw/zinc/16/36/20/533163620.db2.gz	QHFZUPMUQGPBSS-GXTWGEPZSA-N	1	1	276.380	2.214	40	70		CEIBMO
Cc1ccccc1Nc1cc(N2CC[NH+](C)CC2)ncn1	ZINC000216845890	262340974	/nfs/dbraw/zinc/34/09/74/262340974.db2.gz	DKYMCRCTLXPRHM-UHFFFAOYSA-N	1	1	283.379	2.280	40	70		CEIBMO
C[NH+]1CCN(c2cc(Nc3ccc(F)cc3)ncn2)CC1	ZINC000216846454	262341037	/nfs/dbraw/zinc/34/10/37/262341037.db2.gz	SKNGJXVJDNPPDV-UHFFFAOYSA-N	1	1	287.342	2.111	40	70		CEIBMO
Cc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000216912805	230396693	/nfs/dbraw/zinc/39/66/93/230396693.db2.gz	RXRHPJKAIGHRNO-INIZCTEOSA-N	1	1	274.408	2.386	40	70		CEIBMO
COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216914428	230396541	/nfs/dbraw/zinc/39/65/41/230396541.db2.gz	QHFZUPMUQGPBSS-TZMCWYRMSA-N	1	1	276.380	2.214	40	70		CEIBMO