smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[NH2+][C@]1(C(=O)[O-])CCOC1)NNC(=O)C1CC1	ZINC001594697199	956782888	/nfs/dbraw/zinc/78/28/88/956782888.db2.gz	ZASZRFFUBKRBHH-LLVKDONJSA-N	0	2	271.273	-1.623	20	50		CAGDLN
C[C@H](CNC(=O)NNC(=O)C(=O)[O-])[NH+]1CCN(C)CC1	ZINC001592676283	979094930	/nfs/dbraw/zinc/09/49/30/979094930.db2.gz	OFGWRNSLRHEYET-MRVPVSSYSA-N	0	2	287.320	-1.963	20	50		CAGDLN
C[C@@H](Cn1cc[nH+]c1)NC(=O)NNC(=O)C(=O)[O-]	ZINC001592929749	979960182	/nfs/dbraw/zinc/96/01/82/979960182.db2.gz	BYHFXNPNTYKRDX-LURJTMIESA-N	0	2	255.234	-1.313	20	50		CAGDLN
C[C@H](NC(=O)NNC(=O)C(=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C	ZINC001593102513	993744478	/nfs/dbraw/zinc/74/44/78/993744478.db2.gz	UQQBCVAQPVFINU-YUMQZZPRSA-N	0	2	287.320	-1.964	20	50		CAGDLN
C[C@H](NC(=O)NNC(=O)C(=O)[O-])[C@@H]1CN(C)CC[N@H+]1C	ZINC001593102513	993744488	/nfs/dbraw/zinc/74/44/88/993744488.db2.gz	UQQBCVAQPVFINU-YUMQZZPRSA-N	0	2	287.320	-1.964	20	50		CAGDLN
O=C([O-])NCCNC(=O)NNC(=O)Cn1cc[nH+]c1	ZINC000832652536	603804969	/nfs/dbraw/zinc/80/49/69/603804969.db2.gz	DWTLDMDQIUEPEP-UHFFFAOYSA-N	0	2	270.249	-1.519	20	50		CAGDLN
O=C([O-])NCC(=O)NNC(=O)[C@@H]1CCn2c[nH+]cc2C1	ZINC000834200159	605444382	/nfs/dbraw/zinc/44/43/82/605444382.db2.gz	DROMTYDYFXYIKE-SSDOTTSWSA-N	0	2	281.272	-1.140	20	50		CAGDLN
O=C(C[NH2+][C@@]1(C(=O)[O-])CCOC1)NNC(=O)C1CC1	ZINC001594697200	956783226	/nfs/dbraw/zinc/78/32/26/956783226.db2.gz	ZASZRFFUBKRBHH-NSHDSACASA-N	0	2	271.273	-1.623	20	50		CAGDLN
C[C@@H](CNC(=O)NNC(=O)C(=O)[O-])[NH+]1CCN(C)CC1	ZINC001592676286	979094720	/nfs/dbraw/zinc/09/47/20/979094720.db2.gz	OFGWRNSLRHEYET-QMMMGPOBSA-N	0	2	287.320	-1.963	20	50		CAGDLN
C[C@H](Cn1cc[nH+]c1)NC(=O)NNC(=O)C(=O)[O-]	ZINC001592929750	979960033	/nfs/dbraw/zinc/96/00/33/979960033.db2.gz	BYHFXNPNTYKRDX-ZCFIWIBFSA-N	0	2	255.234	-1.313	20	50		CAGDLN
CC(C)C(=O)NNC(=O)C[NH+]1CCC(O)(C(=O)[O-])CC1	ZINC001590940182	990980839	/nfs/dbraw/zinc/98/08/39/990980839.db2.gz	SQZVCGQSYLPPFR-UHFFFAOYSA-N	0	2	287.316	-1.299	20	50		CAGDLN
O=C([O-])NCC(=O)NNC(=O)CCn1cc[nH+]c1	ZINC000834202434	605454649	/nfs/dbraw/zinc/45/46/49/605454649.db2.gz	UJWBZGKEKHMLOU-UHFFFAOYSA-N	0	2	255.234	-1.312	20	50		CAGDLN
O=C([O-])NCC(=O)NNC(=O)[C@@H]1CCn2cc[nH+]c2C1	ZINC000834200010	605466088	/nfs/dbraw/zinc/46/60/88/605466088.db2.gz	CBSAMTFDOQXSFQ-SSDOTTSWSA-N	0	2	281.272	-1.140	20	50		CAGDLN
C[C@@H](NC(=O)NNC(=O)C(=O)[O-])[C@H]1CN(C)CC[N@@H+]1C	ZINC001593102510	993744572	/nfs/dbraw/zinc/74/45/72/993744572.db2.gz	UQQBCVAQPVFINU-HTQZYQBOSA-N	0	2	287.320	-1.964	20	50		CAGDLN
C[C@@H](NC(=O)NNC(=O)C(=O)[O-])[C@H]1CN(C)CC[N@H+]1C	ZINC001593102510	993744578	/nfs/dbraw/zinc/74/45/78/993744578.db2.gz	UQQBCVAQPVFINU-HTQZYQBOSA-N	0	2	287.320	-1.964	20	50		CAGDLN
CNC(=O)NNC(=O)C[NH+]1CCC(NC(=O)[O-])CC1	ZINC000828551729	605663796	/nfs/dbraw/zinc/66/37/96/605663796.db2.gz	GFRHNYJJVZVOPB-UHFFFAOYSA-N	0	2	273.293	-1.321	20	50		CAGDLN
C[C@@H](NC(=O)NNC(=O)C(=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C	ZINC001593102512	993744232	/nfs/dbraw/zinc/74/42/32/993744232.db2.gz	UQQBCVAQPVFINU-SFYZADRCSA-N	0	2	287.320	-1.964	20	50		CAGDLN
C[C@@H](NC(=O)NNC(=O)C(=O)[O-])[C@@H]1CN(C)CC[N@H+]1C	ZINC001593102512	993744240	/nfs/dbraw/zinc/74/42/40/993744240.db2.gz	UQQBCVAQPVFINU-SFYZADRCSA-N	0	2	287.320	-1.964	20	50		CAGDLN
C[C@H](NC(=O)NNC(=O)C(=O)[O-])[C@H]1CN(C)CC[N@@H+]1C	ZINC001593102511	993744795	/nfs/dbraw/zinc/74/47/95/993744795.db2.gz	UQQBCVAQPVFINU-JGVFFNPUSA-N	0	2	287.320	-1.964	20	50		CAGDLN
C[C@H](NC(=O)NNC(=O)C(=O)[O-])[C@H]1CN(C)CC[N@H+]1C	ZINC001593102511	993744801	/nfs/dbraw/zinc/74/48/01/993744801.db2.gz	UQQBCVAQPVFINU-JGVFFNPUSA-N	0	2	287.320	-1.964	20	50		CAGDLN
CC1(C)COCC[N@@H+]1CCNC(=O)NNC(=O)C(=O)[O-]	ZINC001593960871	997082374	/nfs/dbraw/zinc/08/23/74/997082374.db2.gz	HGDSROASENNGTC-UHFFFAOYSA-N	0	2	288.304	-1.488	20	50		CAGDLN
CC1(C)COCC[N@H+]1CCNC(=O)NNC(=O)C(=O)[O-]	ZINC001593960871	997082389	/nfs/dbraw/zinc/08/23/89/997082389.db2.gz	HGDSROASENNGTC-UHFFFAOYSA-N	0	2	288.304	-1.488	20	50		CAGDLN
O=C([O-])NCC(=O)NNC(=O)[C@H]1CCn2c[nH+]cc2C1	ZINC000834200160	605444625	/nfs/dbraw/zinc/44/46/25/605444625.db2.gz	DROMTYDYFXYIKE-ZETCQYMHSA-N	0	2	281.272	-1.140	20	50		CAGDLN
O=C([O-])NCC(=O)NNC(=O)[C@H]1CCn2cc[nH+]c2C1	ZINC000834200013	605465786	/nfs/dbraw/zinc/46/57/86/605465786.db2.gz	CBSAMTFDOQXSFQ-ZETCQYMHSA-N	0	2	281.272	-1.140	20	50		CAGDLN