smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1([N-]C(=O)C(F)(F)F)CCOCC1	ZINC000159474167	346421988	/nfs/dbraw/zinc/42/19/88/346421988.db2.gz	DUOYCZDLXCJWQP-UHFFFAOYSA-N	-1	0	211.183	1.234	20	70		BDIDRM
CC(C)CO[N-]C(=O)C(=O)Nc1ccccc1	ZINC000159879983	191117729	/nfs/dbraw/zinc/11/77/29/191117729.db2.gz	ZSUJFFFPWZFXDA-UHFFFAOYSA-N	-1	0	236.271	1.329	20	70		BDIDRM
CC(C)C(=O)[N-]S(=O)(=O)c1ccsc1	ZINC000159482331	385617450	/nfs/dbraw/zinc/61/74/50/385617450.db2.gz	QNJXBJUEXFMABH-UHFFFAOYSA-N	-1	0	233.314	1.209	20	70		BDIDRM
O=C([O-])NCCNc1ccc2ccccc2n1	ZINC000217841744	592149074	/nfs/dbraw/zinc/14/90/74/592149074.db2.gz	IUSPUAJPTWWKDZ-UHFFFAOYSA-N	-1	0	231.255	1.914	20	70		BDIDRM
O=C([N-]S(=O)(=O)c1ccsc1)C1CCC1	ZINC000159746666	385729074	/nfs/dbraw/zinc/72/90/74/385729074.db2.gz	OOLSXBANQFHRQQ-UHFFFAOYSA-N	-1	0	245.325	1.353	20	70		BDIDRM
CC1(C(=O)[N-]S(=O)(=O)c2ccccc2)CC1	ZINC000160981852	201753654	/nfs/dbraw/zinc/75/36/54/201753654.db2.gz	PRKUQUBUZYOPEX-UHFFFAOYSA-N	-1	0	239.296	1.292	20	70		BDIDRM
CC1(C(=O)[N-]S(=O)(=O)c2ccsc2)CC1	ZINC000159743616	385724015	/nfs/dbraw/zinc/72/40/15/385724015.db2.gz	QELVJTZPCMSTOI-UHFFFAOYSA-N	-1	0	245.325	1.353	20	70		BDIDRM
Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccccc1C	ZINC000160083446	323060052	/nfs/dbraw/zinc/06/00/52/323060052.db2.gz	XKSFLVRNWYXDPG-NSHDSACASA-N	-1	0	245.282	1.398	20	70		BDIDRM
O=C([N-]OCc1ccccc1)C(F)F	ZINC000218683333	353132480	/nfs/dbraw/zinc/13/24/80/353132480.db2.gz	GTXFVYQJUXDDHB-UHFFFAOYSA-N	-1	0	201.172	1.500	20	70		BDIDRM
CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H](C)C2)n1	ZINC000160471449	384415816	/nfs/dbraw/zinc/41/58/16/384415816.db2.gz	TYTWHOWSCBFWBS-JTQLQIEISA-N	-1	0	235.331	1.977	20	70		BDIDRM
CCC[C@@H]([N-]C(=O)C(F)(F)F)C(=O)OC	ZINC000216726375	582700469	/nfs/dbraw/zinc/70/04/69/582700469.db2.gz	PBAYXVHLLFCUCJ-RXMQYKEDSA-N	-1	0	227.182	1.007	20	70		BDIDRM
Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccccc1C	ZINC000160083556	323060029	/nfs/dbraw/zinc/06/00/29/323060029.db2.gz	XKSFLVRNWYXDPG-LLVKDONJSA-N	-1	0	245.282	1.398	20	70		BDIDRM
CCC[C@H]([N-]C(=O)C(F)(F)F)C(=O)OC	ZINC000216726330	592076100	/nfs/dbraw/zinc/07/61/00/592076100.db2.gz	PBAYXVHLLFCUCJ-YFKPBYRVSA-N	-1	0	227.182	1.007	20	70		BDIDRM
COCC(C)(C)C(=O)[N-]OCc1cccnc1	ZINC000161042806	174066605	/nfs/dbraw/zinc/06/66/05/174066605.db2.gz	NLCLBMCZNYEGCE-UHFFFAOYSA-N	-1	0	238.287	1.302	20	70		BDIDRM
COCc1cc(=O)n(-c2cccc(OC)c2)[n-]1	ZINC000160981245	359626996	/nfs/dbraw/zinc/62/69/96/359626996.db2.gz	PSRBHDSKKXBJKA-UHFFFAOYSA-N	-1	0	234.255	1.434	20	70		BDIDRM
CC(C)(C)c1cnc(S([O-])=CC(N)=O)s1	ZINC000160468103	188334375	/nfs/dbraw/zinc/33/43/75/188334375.db2.gz	NHKDPHFNQNZEMS-HNNXBMFYSA-N	-1	0	246.357	1.034	20	70		BDIDRM
Cc1cnccc1C[N-]C(=O)C(F)(F)F	ZINC000160681198	357171825	/nfs/dbraw/zinc/17/18/25/357171825.db2.gz	PTOCNEKCVAVCFL-UHFFFAOYSA-N	-1	0	218.178	1.569	20	70		BDIDRM
CC1(C(=O)[N-]S(=O)(=O)c2cccs2)CC1	ZINC000160998361	387822955	/nfs/dbraw/zinc/82/29/55/387822955.db2.gz	URMOFPRMGMDDTH-UHFFFAOYSA-N	-1	0	245.325	1.353	20	70		BDIDRM
CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H](C)C2)n1	ZINC000160471573	384414331	/nfs/dbraw/zinc/41/43/31/384414331.db2.gz	TYTWHOWSCBFWBS-SNVBAGLBSA-N	-1	0	235.331	1.977	20	70		BDIDRM
CCOc1cc(CNC(=O)[O-])ccc1OC	ZINC000218113005	592152130	/nfs/dbraw/zinc/15/21/30/592152130.db2.gz	VGTUNCPKNMHPQI-UHFFFAOYSA-N	-1	0	225.244	1.862	20	70		BDIDRM
CC(C)(C)c1cnc(S([O-])=CC(N)=O)s1	ZINC000160467985	384414268	/nfs/dbraw/zinc/41/42/68/384414268.db2.gz	NHKDPHFNQNZEMS-OAHLLOKOSA-N	-1	0	246.357	1.034	20	70		BDIDRM
Cc1ccnc(N[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000217887871	592149925	/nfs/dbraw/zinc/14/99/25/592149925.db2.gz	QORADLZUKCAFIW-SNVBAGLBSA-N	-1	0	235.287	1.944	20	70		BDIDRM
CC[C@@H]1CCC[C@@H]1NC(=O)c1cn[nH]n1	ZINC000159719685	350324423	/nfs/dbraw/zinc/32/44/23/350324423.db2.gz	GJTIVJZQAHSZIY-SFYZADRCSA-N	-1	0	208.265	1.113	20	70		BDIDRM