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@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(=O)N1CCOCC1	ZINC001465635816	1067816162	/nfs/dbraw/zinc/81/61/62/1067816162.db2.gz	SISPWEHXPGGFAO-HNNXBMFYSA-N	-2	1	453.542	1.622	20	10		JDCDML
CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(=O)N1CCOCC1	ZINC001465635817	1067816090	/nfs/dbraw/zinc/81/60/90/1067816090.db2.gz	SISPWEHXPGGFAO-OAHLLOKOSA-N	-2	1	453.542	1.622	20	10		JDCDML
O=C(N[C@@H]1C(=O)NCC12CCOCC2)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001471802356	1068910435	/nfs/dbraw/zinc/91/04/35/1068910435.db2.gz	PRCIXBCHANRJNN-MRXNPFEDSA-N	-2	1	451.526	1.280	20	10		JDCDML
O=C(N[C@H]1C(=O)NCC12CCOCC2)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001471802355	1068910537	/nfs/dbraw/zinc/91/05/37/1068910537.db2.gz	PRCIXBCHANRJNN-INIZCTEOSA-N	-2	1	451.526	1.280	20	10		JDCDML
C[S@@](=O)CCN1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC001465321470	1067779619	/nfs/dbraw/zinc/77/96/19/1067779619.db2.gz	PPSALUYDXFUYFO-MUUNZHRXSA-N	-2	1	457.599	1.391	20	10		JDCDML
C[S@](=O)CCN1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC001465321474	1067780213	/nfs/dbraw/zinc/78/02/13/1067780213.db2.gz	PPSALUYDXFUYFO-NDEPHWFRSA-N	-2	1	457.599	1.391	20	10		JDCDML
O=C(NCCO)C1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CC1	ZINC001470643573	1068797159	/nfs/dbraw/zinc/79/71/59/1068797159.db2.gz	HBHXCRLCMZSXBH-UHFFFAOYSA-N	-2	1	453.542	1.215	20	10		JDCDML
O=C(NC1CC1)N[C@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC001466689900	1067899838	/nfs/dbraw/zinc/89/98/38/1067899838.db2.gz	PULJBRBCPDEFMH-AWEZNQCLSA-N	-2	1	450.542	1.931	20	10		JDCDML
O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1	ZINC001466689901	1067899918	/nfs/dbraw/zinc/89/99/18/1067899918.db2.gz	PULJBRBCPDEFMH-CQSZACIVSA-N	-2	1	450.542	1.931	20	10		JDCDML