smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC000160191547	384655907	/nfs/dbraw/zinc/65/59/07/384655907.db2.gz	LQQRRFZRDWGNDR-SNVBAGLBSA-N	-1	1	248.326	2.295	20	70		BEIDMM
CC(C)(C)[C@H]1CCN(C(=O)c2cncc([O-])c2)C1	ZINC000160192481	384656466	/nfs/dbraw/zinc/65/64/66/384656466.db2.gz	PXFVMJDUSLQJJW-NSHDSACASA-N	-1	1	248.326	2.295	20	70		BEIDMM
C[C@H]([N-]C(=O)C(F)F)c1ccc(F)cc1F	ZINC000217636729	385888019	/nfs/dbraw/zinc/88/80/19/385888019.db2.gz	HTSWGVWLIFSITE-YFKPBYRVSA-N	-1	1	235.180	2.407	20	70		BEIDMM
CC1=C(C(=O)[N-]OCc2ccccc2)CCCO1	ZINC000160257405	168077954	/nfs/dbraw/zinc/07/79/54/168077954.db2.gz	BUFAAQZZBPSRCZ-UHFFFAOYSA-N	-1	1	247.294	2.319	20	70		BEIDMM
C[C@@H]([N-]C(=O)C(F)F)c1ccc(F)cc1F	ZINC000217636637	385888052	/nfs/dbraw/zinc/88/80/52/385888052.db2.gz	HTSWGVWLIFSITE-RXMQYKEDSA-N	-1	1	235.180	2.407	20	70		BEIDMM
CCc1cc(=O)[n-]c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1	ZINC000160478111	388070097	/nfs/dbraw/zinc/07/00/97/388070097.db2.gz	FOYYILZLOSPVDQ-PHIMTYICSA-N	-1	1	249.358	2.223	20	70		BEIDMM
CS[C@@H](C)CNC(=O)c1cc(F)ccc1[O-]	ZINC000159529661	384338609	/nfs/dbraw/zinc/33/86/09/384338609.db2.gz	UJHDJRGHNKOBNI-ZETCQYMHSA-N	-1	1	243.303	2.013	20	70		BEIDMM
CC(C)(C)[C@@H]1CCN(C(=O)c2cncc([O-])c2)C1	ZINC000160192337	384654816	/nfs/dbraw/zinc/65/48/16/384654816.db2.gz	PXFVMJDUSLQJJW-LLVKDONJSA-N	-1	1	248.326	2.295	20	70		BEIDMM
CCc1cc(=O)[nH]c(CN(C(C)C)C2CC2)n1	ZINC000160752522	384433569	/nfs/dbraw/zinc/43/35/69/384433569.db2.gz	HNZIFMHNCPLANE-UHFFFAOYSA-N	-1	1	235.331	2.117	20	70		BEIDMM
CCc1cc(=O)[n-]c(C[NH+]2C[C@H](C)C[C@@H](C)C2)n1	ZINC000160478344	388070310	/nfs/dbraw/zinc/07/03/10/388070310.db2.gz	FOYYILZLOSPVDQ-GHMZBOCLSA-N	-1	1	249.358	2.223	20	70		BEIDMM
CC(C)(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC000160191669	345812284	/nfs/dbraw/zinc/81/22/84/345812284.db2.gz	LQQRRFZRDWGNDR-JTQLQIEISA-N	-1	1	248.326	2.295	20	70		BEIDMM
C[C@H](Cc1cccc(O)c1)[N-]C(=O)C(F)(F)F	ZINC000218685823	592173286	/nfs/dbraw/zinc/17/32/86/592173286.db2.gz	DJTMZMYVJCDAPQ-SSDOTTSWSA-N	-1	1	247.216	2.002	20	70		BEIDMM
CCc1cc(=O)n(-c2cccc(OC)c2)[n-]1	ZINC000160982183	359626391	/nfs/dbraw/zinc/62/63/91/359626391.db2.gz	SZDNOUMMHDPLSW-UHFFFAOYSA-N	-1	1	218.256	2.198	20	70		BEIDMM
CC1=CCN(C(=O)c2cc(F)ccc2[O-])CC1	ZINC000160228321	168108522	/nfs/dbraw/zinc/10/85/22/168108522.db2.gz	XSTGVUSYLQARQH-UHFFFAOYSA-N	-1	1	235.258	2.324	20	70		BEIDMM
CN(C(=O)c1cc(F)ccc1[O-])C1CCC1	ZINC000161308313	172338190	/nfs/dbraw/zinc/33/81/90/172338190.db2.gz	YRWZYMHRFNGWQC-UHFFFAOYSA-N	-1	1	223.247	2.156	20	70		BEIDMM
CS[C@H](C)CNC(=O)c1cc(F)ccc1[O-]	ZINC000159529766	175562603	/nfs/dbraw/zinc/56/26/03/175562603.db2.gz	UJHDJRGHNKOBNI-SSDOTTSWSA-N	-1	1	243.303	2.013	20	70		BEIDMM