smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[C@@H]1SC(=O)NC1=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	ZINC000257173481	559166844	/nfs/dbraw/zinc/16/68/44/559166844.db2.gz	OPXWQYYPXCQXIM-NSHDSACASA-N	0	2	416.311	3.721	10	0		HHAELN
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000238851025	568726712	/nfs/dbraw/zinc/72/67/12/568726712.db2.gz	DTLRCSBKNDBJGT-RISCZKNCSA-N	0	2	408.367	3.736	10	0		HHAELN
CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000238851023	568726819	/nfs/dbraw/zinc/72/68/19/568726819.db2.gz	DTLRCSBKNDBJGT-FZMZJTMJSA-N	0	2	408.367	3.736	10	0		HHAELN
NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O	ZINC000003990011	568931315	/nfs/dbraw/zinc/93/13/15/568931315.db2.gz	WTLRWOHEKQGKDS-UHFFFAOYSA-N	0	2	410.666	3.644	10	0	in-vivo	HHAELN
O=S(=O)(Nc1ncnc2scc(Br)c21)c1ccc(Cl)cc1	ZINC000498045655	569254696	/nfs/dbraw/zinc/25/46/96/569254696.db2.gz	XSCXNHULDBVAGU-UHFFFAOYSA-N	0	2	404.698	3.908	10	0		HHAELN
O=C([O-])C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CC1=[NH+]CCc2cc(F)ccc21	ZINC000049590586	291259489	/nfs/dbraw/zinc/25/94/89/291259489.db2.gz	OBXFISCYWAHQCL-HOCLYGCPSA-N	0	2	414.502	3.876	10	0		HHAELN
CC(C)Oc1cccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[nH]2)c1	ZINC000034764495	558783823	/nfs/dbraw/zinc/78/38/23/558783823.db2.gz	YRURFEQKRRANAA-UHFFFAOYSA-N	0	2	420.513	3.713	10	0		HHAELN
O=C(C[C@H]1SC(=O)NC1=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	ZINC000257173829	559166874	/nfs/dbraw/zinc/16/68/74/559166874.db2.gz	YPXCRSQVDYDEDW-LLVKDONJSA-N	0	2	416.311	3.721	10	0		HHAELN
CCOc1ccc(Cc2c(NS(=O)(=O)c3ccc(C)cc3)ncnc2OC)cc1	ZINC000003067696	557444739	/nfs/dbraw/zinc/44/47/39/557444739.db2.gz	KQNLTRNCTAYRGL-UHFFFAOYSA-N	0	2	413.499	3.584	10	0		HHAELN
CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000238851027	568726777	/nfs/dbraw/zinc/72/67/77/568726777.db2.gz	DTLRCSBKNDBJGT-SMDDNHRTSA-N	0	2	408.367	3.736	10	0		HHAELN
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000238851021	518815532	/nfs/dbraw/zinc/81/55/32/518815532.db2.gz	DTLRCSBKNDBJGT-BXUZGUMPSA-N	0	2	408.367	3.736	10	0		HHAELN
O=C(C[C@H]1SC(=O)NC1=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	ZINC000257173480	559166857	/nfs/dbraw/zinc/16/68/57/559166857.db2.gz	OPXWQYYPXCQXIM-LLVKDONJSA-N	0	2	416.311	3.721	10	0		HHAELN
COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2[nH]c1=S	ZINC000004658004	558872125	/nfs/dbraw/zinc/87/21/25/558872125.db2.gz	IMFMDMJFILLFGL-OAHLLOKOSA-N	0	2	423.538	3.614	10	0		HHAELN
O=C(C[C@@H]1SC(=O)NC1=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	ZINC000257173830	559166835	/nfs/dbraw/zinc/16/68/35/559166835.db2.gz	YPXCRSQVDYDEDW-NSHDSACASA-N	0	2	416.311	3.721	10	0		HHAELN
Cc1ccc(-c2nnc(CCC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)[nH]2)cc1	ZINC000034768774	557463294	/nfs/dbraw/zinc/46/32/94/557463294.db2.gz	TTWOPTHVYOXUGU-UHFFFAOYSA-N	0	2	416.525	3.967	10	0		HHAELN
O=C([O-])C[C@@H]1CCN(C(=O)C2CCCC2)C[C@@H]1CC1=[NH+]CCc2cc(F)ccc21	ZINC000049590588	291259482	/nfs/dbraw/zinc/25/94/82/291259482.db2.gz	PDDYAPXNEOHTQR-WMZOPIPTSA-N	0	2	400.494	3.691	10	0		HHAELN
COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3CCC[C@H](C)C3)cc2[nH]c1=S	ZINC000004658005	558872101	/nfs/dbraw/zinc/87/21/01/558872101.db2.gz	IMFMDMJFILLFGL-HNNXBMFYSA-N	0	2	423.538	3.614	10	0		HHAELN
Cc1[nH]ncc1CNC(=O)c1ccc2c(c1)NC(=O)C(=Cc1ccc(Cl)cc1)O2	ZINC000032983583	558805258	/nfs/dbraw/zinc/80/52/58/558805258.db2.gz	TWQYLVREKPKAFD-UWVJOHFNSA-N	0	2	408.845	3.674	10	0		HHAELN
O=C([O-])c1ccc(NCCNC(=O)OCC2c3ccccc3-c3ccccc32)[nH+]c1	ZINC000725273466	559179265	/nfs/dbraw/zinc/17/92/65/559179265.db2.gz	FITUMSQGIXUPMI-UHFFFAOYSA-N	0	2	403.438	3.730	10	0		HHAELN
O=C([O-])c1ccc(N2CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C2)[nH+]c1	ZINC000725240969	559067933	/nfs/dbraw/zinc/06/79/33/559067933.db2.gz	OMSDOIVCJKABEI-UHFFFAOYSA-N	0	2	415.449	3.507	10	0		HHAELN