smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@H]1CN(CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)C2	ZINC001164814631	720201298	/nfs/dbraw/zinc/20/12/98/720201298.db2.gz	VLQDENFJBCSCOX-UZLBHIALSA-N	0	3	441.525	1.711	20	70		IDIDHN
COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)C2	ZINC001164814628	720201400	/nfs/dbraw/zinc/20/14/00/720201400.db2.gz	VLQDENFJBCSCOX-OXJNMPFZSA-N	0	3	441.525	1.711	20	70		IDIDHN
COC[C@@H]1CN(CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)C2	ZINC001164814626	720201672	/nfs/dbraw/zinc/20/16/72/720201672.db2.gz	VLQDENFJBCSCOX-JXFKEZNVSA-N	0	3	441.525	1.711	20	70		IDIDHN
COC(=O)c1cnc(-n2nc(CN(C)C(C)C)c3c2CNCC3)c(S(=O)(=O)F)c1	ZINC001164681021	719652363	/nfs/dbraw/zinc/65/23/63/719652363.db2.gz	LQRUJDRZQRWVMP-UHFFFAOYSA-N	0	3	425.486	1.198	20	70		IDIDHN
COC[C@H]1CN(CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)C2	ZINC001164814630	720202324	/nfs/dbraw/zinc/20/23/24/720202324.db2.gz	VLQDENFJBCSCOX-OXQOHEQNSA-N	0	3	441.525	1.711	20	70		IDIDHN