smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnn(CC2CCOCC2)c1	ZINC000218243374	497000770	/nfs/dbraw/zinc/00/07/70/497000770.db2.gz	SYMZAXVIUVOIRL-UHFFFAOYSA-N	-1	0	369.874	3.072	50	70		FGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(C)o1	ZINC000217995422	497000120	/nfs/dbraw/zinc/00/01/20/497000120.db2.gz	RCPKCHAOZAOVRB-LLVKDONJSA-N	-1	0	368.341	3.352	50	70		FGIARM
COC(=O)C[C@H](c1ccc(OC)cc1)c1c([O-])c2ccccc2oc1=O	ZINC000217826643	571350966	/nfs/dbraw/zinc/35/09/66/571350966.db2.gz	COLBXDDVJPDSPN-OAHLLOKOSA-N	-1	0	354.358	3.202	50	70		FGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(C)o1	ZINC000217995339	497000280	/nfs/dbraw/zinc/00/02/80/497000280.db2.gz	RCPKCHAOZAOVRB-NSHDSACASA-N	-1	0	368.341	3.352	50	70		FGIARM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2C(=O)NC3)s1	ZINC000161140652	496112300	/nfs/dbraw/zinc/11/23/00/496112300.db2.gz	DFUNMLPGIOOSNG-UHFFFAOYSA-N	-1	0	350.465	3.090	50	70		FGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccccc1	ZINC000217861538	571351193	/nfs/dbraw/zinc/35/11/93/571351193.db2.gz	QLGLGQWPZOYJCN-CYBMUJFWSA-N	-1	0	364.353	3.451	50	70		FGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccccc1	ZINC000217861459	571351142	/nfs/dbraw/zinc/35/11/42/571351142.db2.gz	QLGLGQWPZOYJCN-ZDUSSCGKSA-N	-1	0	364.353	3.451	50	70		FGIARM
O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1COc2ccccc2O1	ZINC000160681742	496018320	/nfs/dbraw/zinc/01/83/20/496018320.db2.gz	DOBQJRZOCMUFBB-OAHLLOKOSA-N	-1	0	353.296	3.093	50	70		FGIARM
COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1c([O-])c2ccccc2oc1=O	ZINC000218223449	497001475	/nfs/dbraw/zinc/00/14/75/497001475.db2.gz	KOYATFOIHJPSSC-LBPRGKRZSA-N	-1	0	360.312	3.472	50	70		FGIARM
Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)Nc1ccccc1C(C)C	ZINC000160109242	495885378	/nfs/dbraw/zinc/88/53/78/495885378.db2.gz	LWWSXDYKUBQVKJ-KRWDZBQOSA-N	-1	0	365.437	3.194	50	70		FGIARM
COc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(C)cc(=O)oc3c21	ZINC000218000091	497000023	/nfs/dbraw/zinc/00/00/23/497000023.db2.gz	DNGPJOIPDOGPLB-LBPRGKRZSA-N	-1	0	352.342	3.257	50	70		FGIARM
Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1	ZINC000160414711	495958110	/nfs/dbraw/zinc/95/81/10/495958110.db2.gz	YTRGLSSGWJBEDY-UHFFFAOYSA-N	-1	0	350.469	3.198	50	70		FGIARM
Cc1nc2sc([C@H](c3cc(F)c(F)c(F)c3)N3CCCC3)c([O-])n2n1	ZINC000218437585	206370702	/nfs/dbraw/zinc/37/07/02/206370702.db2.gz	YXBYIOLYHPXVMT-ZDUSSCGKSA-N	-1	0	368.384	3.407	50	70		FGIARM
CC1(C)C[C@@H](NC(=O)c2ccccc2[N-]S(C)(=O)=O)c2ccccc2O1	ZINC000159823632	222556190	/nfs/dbraw/zinc/55/61/90/222556190.db2.gz	MYMTXBBTZABXAB-MRXNPFEDSA-N	-1	0	374.462	3.090	50	70		FGIARM
Cc1nc2sc([C@@H](c3cc(F)c(F)c(F)c3)N3CCCC3)c([O-])n2n1	ZINC000218437502	206369837	/nfs/dbraw/zinc/36/98/37/206369837.db2.gz	YXBYIOLYHPXVMT-CYBMUJFWSA-N	-1	0	368.384	3.407	50	70		FGIARM
CC1(C)C[C@H](NC(=O)c2ccccc2[N-]S(C)(=O)=O)c2ccccc2O1	ZINC000159823500	495818277	/nfs/dbraw/zinc/81/82/77/495818277.db2.gz	MYMTXBBTZABXAB-INIZCTEOSA-N	-1	0	374.462	3.090	50	70		FGIARM
COC(=O)C[C@@H](c1ccccc1OC)c1c([O-])c2ccccc2oc1=O	ZINC000217889457	571351445	/nfs/dbraw/zinc/35/14/45/571351445.db2.gz	FZJIMZSMFSMUKA-AWEZNQCLSA-N	-1	0	354.358	3.202	50	70		FGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccco1	ZINC000217982770	497000654	/nfs/dbraw/zinc/00/06/54/497000654.db2.gz	QKVIPJBEWFUNFW-SNVBAGLBSA-N	-1	0	354.314	3.044	50	70		FGIARM
O=S(=O)([N-]c1cnn(CC2CCOCC2)c1)c1cccc2ccccc21	ZINC000218246511	497001494	/nfs/dbraw/zinc/00/14/94/497001494.db2.gz	JPDSLNGFVQSNRU-UHFFFAOYSA-N	-1	0	371.462	3.264	50	70		FGIARM
COc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(C)cc(=O)oc3c21	ZINC000218000189	210175140	/nfs/dbraw/zinc/17/51/40/210175140.db2.gz	DNGPJOIPDOGPLB-GFCCVEGCSA-N	-1	0	352.342	3.257	50	70		FGIARM
Cc1cc(Oc2ccc([N-]S(=O)(=O)c3c[nH]c4ncccc34)cc2)n[nH]1	ZINC000160684200	496019986	/nfs/dbraw/zinc/01/99/86/496019986.db2.gz	RMOHTMUAJPBHOZ-UHFFFAOYSA-N	-1	0	369.406	3.188	50	70		FGIARM
COC(=O)C[C@H](c1ccc(F)c(F)c1)c1c([O-])c2ccccc2oc1=O	ZINC000218223397	497001401	/nfs/dbraw/zinc/00/14/01/497001401.db2.gz	KOYATFOIHJPSSC-GFCCVEGCSA-N	-1	0	360.312	3.472	50	70		FGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccco1	ZINC000217982706	210174227	/nfs/dbraw/zinc/17/42/27/210174227.db2.gz	QKVIPJBEWFUNFW-JTQLQIEISA-N	-1	0	354.314	3.044	50	70		FGIARM
O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1COc2ccccc2O1	ZINC000160681846	496018019	/nfs/dbraw/zinc/01/80/19/496018019.db2.gz	DOBQJRZOCMUFBB-HNNXBMFYSA-N	-1	0	353.296	3.093	50	70		FGIARM
COC(=O)C[C@@H](c1ccc(OC)cc1)c1c([O-])c2ccccc2oc1=O	ZINC000217826743	571350972	/nfs/dbraw/zinc/35/09/72/571350972.db2.gz	COLBXDDVJPDSPN-HNNXBMFYSA-N	-1	0	354.358	3.202	50	70		FGIARM
Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)Nc1ccccc1C(C)C	ZINC000160109363	495885156	/nfs/dbraw/zinc/88/51/56/495885156.db2.gz	LWWSXDYKUBQVKJ-QGZVFWFLSA-N	-1	0	365.437	3.194	50	70		FGIARM
COC(=O)C[C@H](c1ccccc1OC)c1c([O-])c2ccccc2oc1=O	ZINC000217889383	571351447	/nfs/dbraw/zinc/35/14/47/571351447.db2.gz	FZJIMZSMFSMUKA-CQSZACIVSA-N	-1	0	354.358	3.202	50	70		FGIARM