smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1CCN(C)C2(CCN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC2)C1=O	ZINC001164644088	719284885	/nfs/dbraw/zinc/28/48/85/719284885.db2.gz	CEJSRFZLOXLTJA-UHFFFAOYSA-N	0	0	458.512	0.286	20	70		JCIDRN
COC(=O)c1cnc(N2CC[C@@H](N3CCOCC3)C[C@]2(C)C(=O)OC)c(S(=O)(=O)F)c1	ZINC001164700870	719879665	/nfs/dbraw/zinc/87/96/65/719879665.db2.gz	MOSFLKRUIYZUTM-AUUYWEPGSA-N	0	0	459.496	0.759	20	70		JCIDRN
COC(=O)c1cnc(N2CC[C@H](N3CCOCC3)C[C@]2(C)C(=O)OC)c(S(=O)(=O)F)c1	ZINC001164700880	719879735	/nfs/dbraw/zinc/87/97/35/719879735.db2.gz	MOSFLKRUIYZUTM-IFXJQAMLSA-N	0	0	459.496	0.759	20	70		JCIDRN
COC(=O)c1cnc(N2CC[C@@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)c(S(=O)(=O)F)c1	ZINC001164700883	719879840	/nfs/dbraw/zinc/87/98/40/719879840.db2.gz	MOSFLKRUIYZUTM-KUHUBIRLSA-N	0	0	459.496	0.759	20	70		JCIDRN
COC(=O)c1cnc(N2CC[C@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)c(S(=O)(=O)F)c1	ZINC001164700885	719879625	/nfs/dbraw/zinc/87/96/25/719879625.db2.gz	MOSFLKRUIYZUTM-LIRRHRJNSA-N	0	0	459.496	0.759	20	70		JCIDRN
COC(=O)c1cnc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)c(S(=O)(=O)F)c1	ZINC001164712711	720048917	/nfs/dbraw/zinc/04/89/17/720048917.db2.gz	LOHDHDQPSJROLE-UHFFFAOYSA-N	0	0	480.522	0.210	20	70		JCIDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)C2)C1	ZINC001164722326	720309398	/nfs/dbraw/zinc/30/93/98/720309398.db2.gz	KLAUPTCCHJEDQA-IBGZPJMESA-N	0	0	458.512	0.191	20	70		JCIDRN
CNC(=O)CN1CCOC[C@]2(CCCN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)C2)C1	ZINC001164722329	720310440	/nfs/dbraw/zinc/31/04/40/720310440.db2.gz	KLAUPTCCHJEDQA-LJQANCHMSA-N	0	0	458.512	0.191	20	70		JCIDRN
COC(=O)c1cnc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)c(S(=O)(=O)F)c1	ZINC001164830540	720483420	/nfs/dbraw/zinc/48/34/20/720483420.db2.gz	BWICFDXQCRMBKV-INIZCTEOSA-N	0	0	497.549	0.713	20	70		JCIDRN
COC(=O)c1cnc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)c(S(=O)(=O)F)c1	ZINC001164830549	720483792	/nfs/dbraw/zinc/48/37/92/720483792.db2.gz	BWICFDXQCRMBKV-MRXNPFEDSA-N	0	0	497.549	0.713	20	70		JCIDRN
COC(=O)c1cnc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c(S(=O)(=O)F)c1	ZINC001164877995	721292548	/nfs/dbraw/zinc/29/25/48/721292548.db2.gz	QJYMWEOZKWIFED-UHFFFAOYSA-N	0	0	472.539	0.533	20	70		JCIDRN
COC(=O)c1cnc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)c(S(=O)(=O)F)c1	ZINC001165003296	722240287	/nfs/dbraw/zinc/24/02/87/722240287.db2.gz	JIYDSVVMNUDDIL-UHFFFAOYSA-N	0	0	464.523	0.673	20	70		JCIDRN
COC(=O)c1cnc(N2CCN(Cc3nc(OC)cc(OC)n3)CC2)c(S(=O)(=O)F)c1	ZINC001165029147	721851911	/nfs/dbraw/zinc/85/19/11/721851911.db2.gz	GWSBKPHOOGVDFC-UHFFFAOYSA-N	0	0	455.468	0.656	20	70		JCIDRN