smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N@H+](CCCOc1ccccc1)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000003789178	562938016	/nfs/dbraw/zinc/93/80/16/562938016.db2.gz	TVNFJIFNBOSWEF-UHFFFAOYSA-N	-3	3	425.355	1.949	1	0		IDAFHL
CCCC[N@@H+](CCCOc1ccccc1)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000003789178	562938017	/nfs/dbraw/zinc/93/80/17/562938017.db2.gz	TVNFJIFNBOSWEF-UHFFFAOYSA-N	-3	3	425.355	1.949	1	0		IDAFHL
O=C([O-])CCCC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc([O-])c21	ZINC000013731280	563001828	/nfs/dbraw/zinc/00/18/28/563001828.db2.gz	VTABPPRWKFVMRW-UHFFFAOYSA-N	-4	3	433.416	1.232	1	0		IDAFHL
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(C(=O)[O-])cc3)CC2)ccc1[O-]	ZINC000013862645	563013118	/nfs/dbraw/zinc/01/31/18/563013118.db2.gz	PTFVLKKBZGVHRY-FQEVSTJZSA-N	-2	3	449.529	1.754	1	0		IDAFHL
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)C[N-]S(=O)(=O)CCc1ccccc1	ZINC000013589592	562996486	/nfs/dbraw/zinc/99/64/86/562996486.db2.gz	LPNMHHHHHHDQDN-SFHVURJKSA-N	-2	3	448.497	1.487	1	0		IDAFHL
Nc1nc2c(c(=O)[n-]1)[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000013736739	563002386	/nfs/dbraw/zinc/00/23/86/563002386.db2.gz	UHHNBPRUPMUDTH-WFASDCNBSA-N	-3	3	428.445	1.063	1	0		IDAFHL
O=C([O-])CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccccc1Cl)C(=O)[O-])C(=O)[O-]	ZINC000040973380	563115040	/nfs/dbraw/zinc/11/50/40/563115040.db2.gz	HDDBVNPCLXYMKS-GJZGRUSLSA-N	-3	3	443.884	1.670	1	0		IDAFHL
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H](N)[C@H]1[N-]C(=O)C(F)(F)F	ZINC000003933030	562939433	/nfs/dbraw/zinc/93/94/33/562939433.db2.gz	UHSWPGILSIWNHC-NUEKZKHPSA-N	-2	3	443.422	1.209	1	0		IDAFHL
O=c1c(C(c2ccccc2)c2c([O-])nc3n(c2=O)CCS3)c([O-])nc2n1CCS2	ZINC000008829261	562964602	/nfs/dbraw/zinc/96/46/02/562964602.db2.gz	XLDGEEWAVVVKQN-LLVKDONJSA-N	-2	3	428.495	1.603	1	0		IDAFHL
CC(C)C[C@H](O[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)N[C@@H](C)C(=O)[O-]	ZINC000027890392	563048066	/nfs/dbraw/zinc/04/80/66/563048066.db2.gz	DRXAGSJUEHKPAC-CWRNSKLLSA-N	-2	3	432.410	1.868	1	0		IDAFHL
COc1c(C)c2c(c(O)c1C/C=C(\C)CN(CCP(=O)([O-])[O-])C(C)=O)C(=O)OC2	ZINC000036338570	563092961	/nfs/dbraw/zinc/09/29/61/563092961.db2.gz	CTVDXZNQAVJRHH-VZUCSPMQSA-N	-2	3	427.390	1.895	1	0		IDAFHL
C[N@H+](CCCCCCOc1ccccc1)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000026742178	563036268	/nfs/dbraw/zinc/03/62/68/563036268.db2.gz	WGDVOLIGUAONLT-UHFFFAOYSA-N	-3	3	425.355	1.949	1	0		IDAFHL
C[N@@H+](CCCCCCOc1ccccc1)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000026742178	563036269	/nfs/dbraw/zinc/03/62/69/563036269.db2.gz	WGDVOLIGUAONLT-UHFFFAOYSA-N	-3	3	425.355	1.949	1	0		IDAFHL
O=P([O-])([O-])C(O)(C[n+]1cccc(-c2ccc(C(F)(F)F)cc2)c1)P(=O)([O-])[O-]	ZINC000035049962	563089044	/nfs/dbraw/zinc/08/90/44/563089044.db2.gz	SARIEFNDBBGEQT-UHFFFAOYSA-O	-3	3	428.216	1.661	1	0		IDAFHL
COc1cc(-c2cc(=O)c3c([O-])c(O[C@H]4C[C@@H](O)[C@H](O)[C@H](C)O4)c([O-])cc3o2)ccc1O	ZINC000042888542	563115994	/nfs/dbraw/zinc/11/59/94/563115994.db2.gz	LORQHSFIQJBWBT-DKVFDIBASA-N	-2	3	446.408	1.821	1	0		IDAFHL
CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(=O)([O-])[O-]	ZINC000003794406	562937999	/nfs/dbraw/zinc/93/79/99/562937999.db2.gz	WKAFHMQHWQPVLN-BZSNNMDCSA-N	-2	3	443.481	1.387	1	0		IDAFHL
Nc1nc(N)c(CCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(=O)[n-]1	ZINC000040619799	563105624	/nfs/dbraw/zinc/10/56/24/563105624.db2.gz	VIDBFPRINLZXJK-ZDUSSCGKSA-N	-3	3	425.486	1.444	1	0		IDAFHL
N=c1oc2cc([O-])ccc2cc1C(=O)NCCNC(=O)c1cc2ccc([O-])cc2oc1=N	ZINC000049070170	563137718	/nfs/dbraw/zinc/13/77/18/563137718.db2.gz	NGBKUARVACOIHD-UHFFFAOYSA-N	-2	3	434.408	1.709	1	0		IDAFHL
COc1cc([O-])c2c(=O)c(O[C@@H]3O[C@](C)(O)C[C@@H](O)[C@H]3O)c(-c3ccc([O-])cc3)oc2c1	ZINC000095913545	291323738	/nfs/dbraw/zinc/32/37/38/291323738.db2.gz	NRZJKIBAKVYSDO-YFNREYABSA-N	-2	3	446.408	1.435	1	0	biogenic,in-vitro	IDAFHL
COc1cc(=O)c2c([O-])c(O[C@@H]3O[C@](C)(O)C[C@@H](O)[C@H]3O)c(-c3ccc([O-])cc3)oc-2c1	ZINC000095913545	291323741	/nfs/dbraw/zinc/32/37/41/291323741.db2.gz	NRZJKIBAKVYSDO-YFNREYABSA-N	-2	3	446.408	1.435	1	0	biogenic,in-vitro	IDAFHL
N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(=O)[O-]	ZINC000003814166	562938497	/nfs/dbraw/zinc/93/84/97/562938497.db2.gz	CRXVFHGVQJYDBU-JKEDJMADSA-N	-2	3	445.516	1.150	1	0		IDAFHL
CCN(CCN(CC)S(=O)(=O)c1cccc([O-])c1)S(=O)(=O)c1cccc([O-])c1	ZINC000045367578	563133139	/nfs/dbraw/zinc/13/31/39/563133139.db2.gz	LHKCYBKBDLNTOT-UHFFFAOYSA-N	-2	3	428.532	1.819	1	0		IDAFHL
O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)C(=O)C[N-]S(=O)(=O)Cc1ccccc1	ZINC000013589589	562996400	/nfs/dbraw/zinc/99/64/00/562996400.db2.gz	MDFBTPMSHHCBFM-QGZVFWFLSA-N	-2	3	434.470	1.445	1	0		IDAFHL
Nc1nc2c(c(=O)[n-]1)[C@@H](CCCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000013736735	563002444	/nfs/dbraw/zinc/00/24/44/563002444.db2.gz	WSOFBZAUJLUORC-BBRMVZONSA-N	-3	3	442.472	1.453	1	0		IDAFHL
CN(CC(=O)[O-])[C@@H]1C[C@@H](C(=O)Oc2ccccc2C(=O)[O-])N(C(=O)c2ccccc2)C1	ZINC000027632400	563044829	/nfs/dbraw/zinc/04/48/29/563044829.db2.gz	TVIYBNWJBFUNOH-WBVHZDCISA-N	-2	3	426.425	1.590	1	0		IDAFHL
Nc1nc2c(c(=O)[n-]1)C[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000027766067	563047122	/nfs/dbraw/zinc/04/71/22/563047122.db2.gz	TXHRVJYDANXEGJ-SUMWQHHRSA-N	-3	3	442.472	1.138	1	0		IDAFHL
Nc1nc2c(c(=O)[n-]1)[C@@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029388949	563078763	/nfs/dbraw/zinc/07/87/63/563078763.db2.gz	WSOFBZAUJLUORC-XJKSGUPXSA-N	-3	3	442.472	1.865	1	0		IDAFHL
O=C([O-])c1nc(-c2cscc2NC(=O)[N-]S(=O)(=O)c2ccccc2)[nH]c(=O)c1[O-]	ZINC000003582321	562936524	/nfs/dbraw/zinc/93/65/24/562936524.db2.gz	MGZBIBOBYYINBG-UHFFFAOYSA-N	-3	3	436.427	1.413	1	0		IDAFHL
Nc1nc(N)c(SCCCc2cccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2)c(=O)[n-]1	ZINC000008536419	562949570	/nfs/dbraw/zinc/94/95/70/562949570.db2.gz	YHRWDSHFZKASFT-LBPRGKRZSA-N	-3	3	449.489	1.119	1	0		IDAFHL
O=c1c(C(c2ccccc2)c2c([O-])nc3n(c2=O)CCS3)c([O-])nc2n1CCS2	ZINC000008829260	562964620	/nfs/dbraw/zinc/96/46/20/562964620.db2.gz	XLDGEEWAVVVKQN-NSHDSACASA-N	-2	3	428.495	1.603	1	0		IDAFHL
O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)C(=O)C[N-]S(=O)(=O)CCc1ccccc1	ZINC000013589591	562996413	/nfs/dbraw/zinc/99/64/13/562996413.db2.gz	LPNMHHHHHHDQDN-GOSISDBHSA-N	-2	3	448.497	1.487	1	0		IDAFHL
CN(CC(=O)[O-])[C@@H]1C[C@H](C(=O)Oc2ccccc2C(=O)[O-])N(C(=O)c2ccccc2)C1	ZINC000027632406	563044844	/nfs/dbraw/zinc/04/48/44/563044844.db2.gz	TVIYBNWJBFUNOH-NVXWUHKLSA-N	-2	3	426.425	1.590	1	0		IDAFHL
O=C([O-])CC[C@H](NC(=O)c1ccc(NCc2ccc3nn[n-]c(=O)c3c2)cc1)C(=O)[O-]	ZINC000008577219	562949604	/nfs/dbraw/zinc/94/96/04/562949604.db2.gz	YKORUANEKZOBMT-INIZCTEOSA-N	-3	3	425.401	1.390	1	0		IDAFHL
O=C([O-])CC[C@H](NC(=O)c1ccc(CC[C@@H]2CNc3nc[n-]c(=O)c3C2)cc1)C(=O)[O-]	ZINC000013514525	562991101	/nfs/dbraw/zinc/99/11/01/562991101.db2.gz	UCHCGCQTCQNVGW-BBRMVZONSA-N	-3	3	428.445	1.035	1	0		IDAFHL
CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(=O)([O-])[O-]	ZINC000013733499	563002039	/nfs/dbraw/zinc/00/20/39/563002039.db2.gz	WKAFHMQHWQPVLN-OKZBNKHCSA-N	-2	3	443.481	1.387	1	0		IDAFHL
O=P([O-])([O-])C(Nc1cc(Br)cc(Br)n1)P(=O)([O-])[O-]	ZINC000029489799	563081584	/nfs/dbraw/zinc/08/15/84/563081584.db2.gz	KBCBXKWHYIKOQI-UHFFFAOYSA-N	-4	3	425.894	1.658	1	0		IDAFHL
Nc1nc([O-])c(CCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[n-]1	ZINC000040465964	563103895	/nfs/dbraw/zinc/10/38/95/563103895.db2.gz	ZOTCNCWVYGUWHD-AWEZNQCLSA-N	-4	3	432.433	1.083	1	0		IDAFHL
Nc1nc([O-])c(CCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[nH]1	ZINC000040465964	563103896	/nfs/dbraw/zinc/10/38/96/563103896.db2.gz	ZOTCNCWVYGUWHD-AWEZNQCLSA-N	-3	3	432.433	1.083	1	0		IDAFHL
O=CN([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc2N(CC(=O)[O-])C1=O	ZINC000003821448	562938830	/nfs/dbraw/zinc/93/88/30/562938830.db2.gz	VJMGHCZAAFBQOG-MOPGFXCFSA-N	-2	3	439.468	1.242	1	0		IDAFHL
Nc1nc2c(c(=O)[n-]1)C[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000013515263	562991033	/nfs/dbraw/zinc/99/10/33/562991033.db2.gz	TXHRVJYDANXEGJ-DYVFJYSZSA-N	-3	3	442.472	1.138	1	0		IDAFHL
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)C[N-]S(=O)(=O)Cc1ccccc1	ZINC000013589590	562996371	/nfs/dbraw/zinc/99/63/71/562996371.db2.gz	MDFBTPMSHHCBFM-KRWDZBQOSA-N	-2	3	434.470	1.445	1	0		IDAFHL
N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C(F)(F)F)CC[C@H]12)c1ccc([O-])c(Cl)c1	ZINC000028256019	563052375	/nfs/dbraw/zinc/05/23/75/563052375.db2.gz	RGUBZLDQGSUGNR-JLLWLGSASA-N	-2	3	433.770	1.436	1	0		IDAFHL
Nc1nc2c(c(=O)[n-]1)[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029391731	563079008	/nfs/dbraw/zinc/07/90/08/563079008.db2.gz	UHHNBPRUPMUDTH-SWLSCSKDSA-N	-3	3	428.445	1.475	1	0		IDAFHL
Nc1ncnc2ncn([C@H]3CC[C@@H](COS(=O)(=O)[N-]C(=O)c4ccccc4[O-])C3)c21	ZINC000040764368	563106613	/nfs/dbraw/zinc/10/66/13/563106613.db2.gz	QNELDFKVSYNMOB-NEPJUHHUSA-N	-2	3	432.462	1.147	1	0		IDAFHL
Nc1nc2c(c(=O)[n-]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000013515264	562991037	/nfs/dbraw/zinc/99/10/37/562991037.db2.gz	TXHRVJYDANXEGJ-GUYCJALGSA-N	-3	3	442.472	1.138	1	0		IDAFHL
CCNC(=O)c1noc(-c2cc(Cl)c([O-])cc2[O-])c1NC(=O)CCN1CCOCC1	ZINC000073223615	563170884	/nfs/dbraw/zinc/17/08/84/563170884.db2.gz	CLGCYNQGBOFRIU-UHFFFAOYSA-N	-2	3	438.868	1.817	1	0		IDAFHL
COc1cc([O-])c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@H](OS(=O)(=O)[O-])C2=O	ZINC000095914725	291323711	/nfs/dbraw/zinc/32/37/11/291323711.db2.gz	NEFAJGBCGHGZRI-ZWKOTPCHSA-N	-2	3	426.399	1.922	1	0	biogenic,in-vitro	IDAFHL
O=C([O-])CC[C@H](NC(=O)c1ccc(CC[C@H]2CNc3nc[n-]c(=O)c3C2)cc1)C(=O)[O-]	ZINC000013514527	562991093	/nfs/dbraw/zinc/99/10/93/562991093.db2.gz	UCHCGCQTCQNVGW-CJNGLKHVSA-N	-3	3	428.445	1.035	1	0		IDAFHL
O=P([O-])([O-])C(Nc1ncc(Br)cc1Br)P(=O)([O-])[O-]	ZINC000013532383	562992129	/nfs/dbraw/zinc/99/21/29/562992129.db2.gz	YARWVPFWWYHTQO-UHFFFAOYSA-N	-4	3	425.894	1.658	1	0		IDAFHL
Nc1nc2c(c(=O)[n-]1)[C@H](CCCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000013736737	563002448	/nfs/dbraw/zinc/00/24/48/563002448.db2.gz	WSOFBZAUJLUORC-CJNGLKHVSA-N	-3	3	442.472	1.453	1	0		IDAFHL
Nc1nc2ncc(N(CCCP(=O)([O-])[O-])Cc3ccc(C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000066079502	563157868	/nfs/dbraw/zinc/15/78/68/563157868.db2.gz	VHYFOYIUHDKUTI-UHFFFAOYSA-N	-3	3	433.361	1.173	1	0		IDAFHL
O=C(NC1CC1)c1cccc(-c2cncc(NC(P(=O)([O-])[O-])P(=O)([O-])[O-])c2)c1	ZINC000084739118	563178906	/nfs/dbraw/zinc/17/89/06/563178906.db2.gz	KXMMWXSNEUMSJS-UHFFFAOYSA-N	-4	3	427.290	1.692	1	0		IDAFHL
CC[C@H](N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(=O)([O-])[O-]	ZINC000013733502	563002019	/nfs/dbraw/zinc/00/20/19/563002019.db2.gz	WKAFHMQHWQPVLN-FGTMMUONSA-N	-2	3	443.481	1.387	1	0		IDAFHL
Nc1nc2c(c(=O)[n-]1)[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000013736741	563002421	/nfs/dbraw/zinc/00/24/21/563002421.db2.gz	UHHNBPRUPMUDTH-DOMZBBRYSA-N	-3	3	428.445	1.063	1	0		IDAFHL
Cc1nc(NC(P(=O)([O-])[O-])P(=O)([O-])[O-])c(Br)cc1Br	ZINC000033818246	563084693	/nfs/dbraw/zinc/08/46/93/563084693.db2.gz	LWEGNLZHTHVUCA-UHFFFAOYSA-N	-4	3	439.921	1.966	1	0		IDAFHL
CCN(CCN(CC)S(=O)(=O)c1ccc([O-])cc1)S(=O)(=O)c1ccc([O-])cc1	ZINC000045357759	563132812	/nfs/dbraw/zinc/13/28/12/563132812.db2.gz	XFQCLEYXEMOVJZ-UHFFFAOYSA-N	-2	3	428.532	1.819	1	0		IDAFHL
COc1c(=O)c2c([O-])cc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)cc2oc1-c1ccc([O-])cc1	ZINC000059768018	291323581	/nfs/dbraw/zinc/32/35/81/291323581.db2.gz	BIFYEBAZZKWGEE-XWWUPDIOSA-N	-2	3	446.408	1.086	1	0	biogenic,in-vitro	IDAFHL
COc1c([O-])c2c(=O)cc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)cc-2oc1-c1ccc([O-])cc1	ZINC000059768018	291323584	/nfs/dbraw/zinc/32/35/84/291323584.db2.gz	BIFYEBAZZKWGEE-XWWUPDIOSA-N	-2	3	446.408	1.086	1	0	biogenic,in-vitro	IDAFHL
N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(=O)[O-]	ZINC000013599996	562996752	/nfs/dbraw/zinc/99/67/52/562996752.db2.gz	CRXVFHGVQJYDBU-OYSTVDSJSA-N	-2	3	445.516	1.150	1	0		IDAFHL
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)Nc1ccc(CP(=O)([O-])[O-])cc1	ZINC000026575718	563033629	/nfs/dbraw/zinc/03/36/29/563033629.db2.gz	VXIFQFGUILACLB-GJZGRUSLSA-N	-3	3	429.410	1.026	1	0		IDAFHL
Nc1nc2c(c(=O)[n-]1)[C@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029388952	563078776	/nfs/dbraw/zinc/07/87/76/563078776.db2.gz	WSOFBZAUJLUORC-CZUORRHYSA-N	-3	3	442.472	1.865	1	0		IDAFHL
Nc1nc2c(c(=O)[n-]1)[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000029391734	563079030	/nfs/dbraw/zinc/07/90/30/563079030.db2.gz	UHHNBPRUPMUDTH-IUODEOHRSA-N	-3	3	428.445	1.475	1	0		IDAFHL
CC[C@@H](N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(=O)([O-])[O-]	ZINC000013733504	563002033	/nfs/dbraw/zinc/00/20/33/563002033.db2.gz	WKAFHMQHWQPVLN-SQNIBIBYSA-N	-2	3	443.481	1.387	1	0		IDAFHL
Nc1nc2c(c(=O)[n-]1)C[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2	ZINC000027766075	563047130	/nfs/dbraw/zinc/04/71/30/563047130.db2.gz	TXHRVJYDANXEGJ-CXAGYDPISA-N	-3	3	442.472	1.138	1	0		IDAFHL
CC(C)C[C@H](O[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@H](O)N[C@@H](C)C(=O)[O-]	ZINC000040519944	563104408	/nfs/dbraw/zinc/10/44/08/563104408.db2.gz	DRXAGSJUEHKPAC-BPUTZDHNSA-N	-2	3	432.410	1.868	1	0		IDAFHL
Nn1c(CS(=O)(=O)c2c[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)n[n-]c1=S	ZINC000043010775	563116421	/nfs/dbraw/zinc/11/64/21/563116421.db2.gz	ZEQTYXZTFVRFHI-UHFFFAOYSA-N	-2	3	433.924	1.443	1	0		IDAFHL
COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000066259842	563160706	/nfs/dbraw/zinc/16/07/06/563160706.db2.gz	NUFNGCDVYZKSKE-HOHGHBTGSA-N	-2	3	446.408	1.086	1	0		IDAFHL