smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)c(=O)n2C	ZINC000918333987	1067080078	/nfs/dbraw/zinc/08/00/78/1067080078.db2.gz	FBOQGBSRBPZLHF-UHFFFAOYSA-N	0	0	460.516	-1.015	20	10		JACDRN
Cn1c2ncn(CC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)c2c(=O)n(C)c1=O	ZINC000918336335	1067080145	/nfs/dbraw/zinc/08/01/45/1067080145.db2.gz	WXDBMXNILXXKSH-UHFFFAOYSA-N	0	0	460.516	-1.015	20	10		JACDRN
O=C(CN1C(=O)CSC1=S)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1	ZINC001144841337	1067123387	/nfs/dbraw/zinc/12/33/87/1067123387.db2.gz	CDYRGZHSLXYDRD-JHJVBQTASA-N	0	0	461.587	-1.033	20	10		JACDRN
O=C(CN1C(=O)CSC1=S)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1	ZINC001144841338	1067123082	/nfs/dbraw/zinc/12/30/82/1067123082.db2.gz	CDYRGZHSLXYDRD-YNEHKIRRSA-N	0	0	461.587	-1.033	20	10		JACDRN
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN1C(=O)CSC1=S)C(=O)NCC(N)=O	ZINC001144844555	1067123359	/nfs/dbraw/zinc/12/33/59/1067123359.db2.gz	VPGWPYZLOIYKMC-RYUDHWBXSA-N	0	0	457.578	-1.030	20	10		JACDRN
CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)CN2C(=O)CSC2=S)[C@H]1O	ZINC001144848044	1067123031	/nfs/dbraw/zinc/12/30/31/1067123031.db2.gz	ABDLPQYOHHIRNM-KABGHNSYSA-N	0	0	467.533	-1.512	20	10		JACDRN
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)CC2)cc1	ZINC001165639230	1067339208	/nfs/dbraw/zinc/33/92/08/1067339208.db2.gz	QIEWVWRPTQDMFN-GUDVDZBRSA-N	0	0	455.533	-1.324	20	10		JACDRN
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CNC(=O)CNC(C)=O)CC2)cc1	ZINC001640017120	1067547504	/nfs/dbraw/zinc/54/75/04/1067547504.db2.gz	UBNNRWQVFGJZLS-UHFFFAOYSA-N	0	0	455.537	-1.485	20	10		JACDRN