smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1nc2ccccc2[nH]c1=O	ZINC000218363351	206369628	/nfs/dbraw/zinc/36/96/28/206369628.db2.gz	KHOLCOHVCWONSZ-CABCVRRESA-N	0	3	360.414	0.389	50	70		FCIAHN
O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCN(Cc2nnc[n-]2)CC1	ZINC000216914980	526302883	/nfs/dbraw/zinc/30/28/83/526302883.db2.gz	UJSPUVWTHIRPFK-UHFFFAOYSA-N	0	3	358.446	0.954	50	70		FCIAHN
CN(C)CCOc1ccc(CN2CCn3nc([C@H](O)CO)cc3C2)cc1	ZINC000217201429	521797433	/nfs/dbraw/zinc/79/74/33/521797433.db2.gz	PIJFLFSDQTUJQE-LJQANCHMSA-N	0	3	360.458	0.865	50	70		FCIAHN
CN(C)CCNC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O	ZINC000218281452	521778933	/nfs/dbraw/zinc/77/89/33/521778933.db2.gz	IPBQBOVEYLNHDK-ZDUSSCGKSA-N	0	3	352.822	0.828	50	70		FCIAHN
CN(C)C1(CNc2c(=O)c(=O)c2NCC(=O)N2CCCC2)CCCCC1	ZINC000218395915	524037830	/nfs/dbraw/zinc/03/78/30/524037830.db2.gz	TWRMEFBSNFGSFL-UHFFFAOYSA-N	0	3	362.474	0.993	50	70		FCIAHN
COC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2cc(C)nc(N)n2)CC1	ZINC000218399939	536417441	/nfs/dbraw/zinc/41/74/41/536417441.db2.gz	SVHSXDXOPZTPJQ-CYBMUJFWSA-N	0	3	362.434	0.637	50	70		FCIAHN
COCCN1CC[C@@H](CN(C)C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1	ZINC000217086112	488441847	/nfs/dbraw/zinc/44/18/47/488441847.db2.gz	CQSUPDOIQKVNIG-LBPRGKRZSA-N	0	3	360.414	0.257	50	70		FCIAHN
O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ccc2c(c1)OCC(=O)N2	ZINC000218037173	488442927	/nfs/dbraw/zinc/44/29/27/488442927.db2.gz	PVQUNZBHVNHMAD-QRVDHSFSSA-N	0	3	357.410	0.999	50	70		FCIAHN
CN(C)CCOc1ccc(CN2CCn3nc([C@@H](O)CO)cc3C2)cc1	ZINC000217201423	521799934	/nfs/dbraw/zinc/79/99/34/521799934.db2.gz	PIJFLFSDQTUJQE-IBGZPJMESA-N	0	3	360.458	0.865	50	70		FCIAHN
CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1scc2c1OCCO2	ZINC000218131615	209663826	/nfs/dbraw/zinc/66/38/26/209663826.db2.gz	QUZLAKGWQXJDDZ-NEPJUHHUSA-N	0	3	356.444	0.985	50	70		FCIAHN
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1	ZINC000217519678	488442171	/nfs/dbraw/zinc/44/21/71/488442171.db2.gz	KCVYNPUDPZIMKX-UHFFFAOYSA-N	0	3	368.437	0.655	50	70		FCIAHN
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1	ZINC000217519678	488442173	/nfs/dbraw/zinc/44/21/73/488442173.db2.gz	KCVYNPUDPZIMKX-UHFFFAOYSA-N	0	3	368.437	0.655	50	70		FCIAHN
O=C(N[C@@H]1CCOC[C@H]1OCCO)C1CCN(Cc2ccco2)CC1	ZINC000218045195	526935101	/nfs/dbraw/zinc/93/51/01/526935101.db2.gz	CLNQXKAGXSRRCZ-IAGOWNOFSA-N	0	3	352.431	0.774	50	70		FCIAHN
CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2c(c1)OCC(=O)N2	ZINC000218558326	488443303	/nfs/dbraw/zinc/44/33/03/488443303.db2.gz	WZHADYSWLFYDPC-GDBMZVCRSA-N	0	3	363.414	0.483	50	70		FCIAHN
COCCN1CC[C@H](CN(C)C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1	ZINC000217086140	488441820	/nfs/dbraw/zinc/44/18/20/488441820.db2.gz	CQSUPDOIQKVNIG-GFCCVEGCSA-N	0	3	360.414	0.257	50	70		FCIAHN
O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000218472926	488442565	/nfs/dbraw/zinc/44/25/65/488442565.db2.gz	UCSQYYYSKLOZNU-MSQAHXEGSA-N	0	3	370.409	0.198	50	70		FCIAHN
O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCN(c2ncc[nH]c2=O)CC1	ZINC000217440852	526537400	/nfs/dbraw/zinc/53/74/00/526537400.db2.gz	FFTZCRPTERFOQE-HNNXBMFYSA-N	0	3	371.441	0.924	50	70		FCIAHN
O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCN(c2ncc[nH]c2=O)CC1	ZINC000217440787	526469353	/nfs/dbraw/zinc/46/93/53/526469353.db2.gz	FFTZCRPTERFOQE-OAHLLOKOSA-N	0	3	371.441	0.924	50	70		FCIAHN
NC(=O)C1(N2CCCCC2)CCN(c2cc(C3CC(O)C3)nc(N)n2)CC1	ZINC000218568572	132273341	/nfs/dbraw/zinc/27/33/41/132273341.db2.gz	RHVFLOCLBUECSU-UHFFFAOYSA-N	0	3	374.489	0.607	50	70		FCIAHN
CN1CCN(C)[C@@H](CC(=O)N2CCc3nnc(-c4ccccc4)n3CC2)C1	ZINC000217386263	488442397	/nfs/dbraw/zinc/44/23/97/488442397.db2.gz	PBGFFWMYYDBMED-KRWDZBQOSA-N	0	3	368.485	0.966	50	70		FCIAHN
CN1CCCN(CC(=O)NCCc2csc(-c3ncccn3)n2)CC1	ZINC000218004898	523806064	/nfs/dbraw/zinc/80/60/64/523806064.db2.gz	IDRIWFGQAIBYQY-UHFFFAOYSA-N	0	3	360.487	0.896	50	70		FCIAHN
COC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2cc(C)nc(N)n2)CC1	ZINC000218400012	536416959	/nfs/dbraw/zinc/41/69/59/536416959.db2.gz	SVHSXDXOPZTPJQ-ZDUSSCGKSA-N	0	3	362.434	0.637	50	70		FCIAHN