smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1C(=NO)[C@H](C)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1	ZINC000005611058	170119396	/nfs/dbraw/zinc/11/93/96/170119396.db2.gz	XIRQHDWKOLWYKM-LSOMNZGLSA-N	0	3	294.398	4.175	1	30		CIEFHN
CCCCCCCCCCCCC(=O)OCCN(C)C	ZINC000043352484	175020517	/nfs/dbraw/zinc/02/05/17/175020517.db2.gz	MIRFZUMSTMZAQW-UHFFFAOYSA-N	0	3	285.472	4.402	1	30		CIEFHN
CC(=O)C1=CC[C@H](c2ccccc2)N(Cc2ccccc2)C1	ZINC000095567594	185010612	/nfs/dbraw/zinc/01/06/12/185010612.db2.gz	HUZAQLCAMIVZMB-HXUWFJFHSA-N	0	3	291.394	4.149	3	30		CIEFHN
CC(=O)C1=CC[C@@H](c2ccccc2)N(Cc2ccccc2)C1	ZINC000095567595	185010508	/nfs/dbraw/zinc/01/05/08/185010508.db2.gz	HUZAQLCAMIVZMB-FQEVSTJZSA-N	0	3	291.394	4.149	3	30		CIEFHN
CC[C@@H](c1ccccc1)C1C(=O)O[C@H]2CCCC[C@@H]2C1=O	ZINC000006412061	170199610	/nfs/dbraw/zinc/19/96/10/170199610.db2.gz	QFYAYRVSLCOWOC-KKUMJFAQSA-N	0	3	286.371	4.108	1	30		CIEFHN
CCCCCCCCCN1CCc2cc(O)c(O)cc2C1	ZINC000044031666	175139010	/nfs/dbraw/zinc/13/90/10/175139010.db2.gz	BKWNLXFZRJHKGS-UHFFFAOYSA-N	0	3	291.435	4.207	1	30		CIEFHN
CCCCC[C@@H](C)NCc1coc(-c2ccccc2C#N)n1	ZINC000072186614	176335714	/nfs/dbraw/zinc/33/57/14/176335714.db2.gz	GWYKNZFPKRWYJB-CQSZACIVSA-N	0	3	297.402	4.272	1	30		CIEFHN
CCCCC[C@H](C)NCc1coc(-c2ccccc2C#N)n1	ZINC000072186615	176335676	/nfs/dbraw/zinc/33/56/76/176335676.db2.gz	GWYKNZFPKRWYJB-AWEZNQCLSA-N	0	3	297.402	4.272	1	30		CIEFHN
CC(C)[S@+]1c2ccccc2[N-]C2=C1C(=O)CC(C)(C)C2	ZINC000005835487	170145677	/nfs/dbraw/zinc/14/56/77/170145677.db2.gz	NNRRMZMANYTSOP-HXUWFJFHSA-O	0	3	288.436	4.098	1	30		CIEFHN
CC[C@@H](c1ccccc1)C1C(=O)O[C@@H]2CCCC[C@@H]2C1=O	ZINC000006412051	170199502	/nfs/dbraw/zinc/19/95/02/170199502.db2.gz	QFYAYRVSLCOWOC-SOUVJXGZSA-N	0	3	286.371	4.108	1	30		CIEFHN
CCCCCCCc1ccc(C(=O)CCN(C)C)cc1	ZINC000043072809	174962019	/nfs/dbraw/zinc/96/20/19/174962019.db2.gz	ANCSLKGKDIAGLN-UHFFFAOYSA-N	0	3	275.436	4.334	1	30	in-vivo	CIEFHN
NCc1sc2cc(C#Cc3ccccc3)ccc2c1Cl	ZINC000072107285	176316856	/nfs/dbraw/zinc/31/68/56/176316856.db2.gz	MSZUZTHRPIJQFZ-UHFFFAOYSA-N	0	3	297.810	4.413	1	30		CIEFHN
CCCN=C1CC(C)(C)c2cc(Cl)ccc2N1	ZINC000096908696	185128319	/nfs/dbraw/zinc/12/83/19/185128319.db2.gz	WPWGOPXXPCRYFI-UHFFFAOYSA-N	0	3	250.773	4.242	1	30		CIEFHN