smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](CC(=O)NC(=O)c1coc(/C=C/CCCCCCCCC(=O)[O-])cc1=O)C(=O)[O-]	ZINC000014439498	563014501	/nfs/dbraw/zinc/01/45/01/563014501.db2.gz	OKGLROPOZIVCCZ-HQPKTYMTSA-N	-2	0	435.473	3.226	1	0		IGAFRL
CS(=O)(=O)Cc1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2c1	ZINC000029047636	563072756	/nfs/dbraw/zinc/07/27/56/563072756.db2.gz	BVOGERPEBAZJLZ-UHFFFAOYSA-N	-2	0	429.175	3.374	1	0		IGAFRL
O=[P@@]([O-])(O)[C@@H](Cc1ccccc1)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000087676236	563180105	/nfs/dbraw/zinc/18/01/05/563180105.db2.gz	NAOAQOAPOBTFLY-YADHBBJMSA-N	-2	0	449.451	3.487	1	0		IGAFRL
COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2C(=O)[O-])c(C(=O)[O-])c1	ZINC000026579444	563034132	/nfs/dbraw/zinc/03/41/32/563034132.db2.gz	YWLLEUSTBASKAE-UHFFFAOYSA-N	-2	0	444.440	3.238	1	0		IGAFRL
O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1CNC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000013492830	562990736	/nfs/dbraw/zinc/99/07/36/562990736.db2.gz	CISHLPQOGZOLEP-UHFFFAOYSA-N	-2	0	442.280	3.361	1	0		IGAFRL
O=C([O-])[C@@H]1CC2(CN1C(=O)C[P@@](=O)([O-])CCCCc1ccccc1)SCCS2	ZINC000021288905	563025170	/nfs/dbraw/zinc/02/51/70/563025170.db2.gz	SCLVAMUVMTZGEU-INIZCTEOSA-N	-2	0	443.527	3.142	1	0		IGAFRL
O=C([O-])CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)[O-])Oc2ccccc21	ZINC000012358384	562981740	/nfs/dbraw/zinc/98/17/40/562981740.db2.gz	KHLBKUCUEUCPCK-HXUWFJFHSA-N	-2	0	427.453	3.132	1	0		IGAFRL
O=C([O-])C(=O)c1ccc(OCc2cccc(COc3ccc(C(=O)C(=O)[O-])cc3)c2)cc1	ZINC000013490978	562990352	/nfs/dbraw/zinc/99/03/52/562990352.db2.gz	IGKPEWFTXRJBNB-UHFFFAOYSA-N	-2	0	434.400	3.379	1	0		IGAFRL
CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1	ZINC000027863039	563047565	/nfs/dbraw/zinc/04/75/65/563047565.db2.gz	HJADDWSXASCMHG-OAQYLSRUSA-N	-2	0	440.452	3.346	1	0		IGAFRL
O=[P@@]([O-])(O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000087676235	563180114	/nfs/dbraw/zinc/18/01/14/563180114.db2.gz	NAOAQOAPOBTFLY-FCHUYYIVSA-N	-2	0	449.451	3.487	1	0		IGAFRL
Cc1onc(NC(=O)NCC(=O)[O-])c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000028569449	563058885	/nfs/dbraw/zinc/05/88/85/563058885.db2.gz	WXXIVTGJALXTJV-UHFFFAOYSA-N	-2	0	441.284	3.168	1	0		IGAFRL
COc1ccc(Oc2ccc(F)cc2)cc1CCC[C@@H]([P@@](=O)([O-])O)S(=O)(=O)[O-]	ZINC000045505859	563134801	/nfs/dbraw/zinc/13/48/01/563134801.db2.gz	RCEOJTHKSXBGNA-KRWDZBQOSA-N	-2	0	434.378	3.341	1	0		IGAFRL
CC(C)C[C@H](NC(=O)OCc1ccccc1)[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000025110216	563027408	/nfs/dbraw/zinc/02/74/08/563027408.db2.gz	OGPNNUIBMRADRA-HZPDHXFCSA-N	-3	0	429.406	3.121	1	0		IGAFRL
O=C([O-])CCNC(=O)[C@H](Cc1ccccc1)O[P@](=O)([O-])CCCCc1ccccc1	ZINC000003789947	562937992	/nfs/dbraw/zinc/93/79/92/562937992.db2.gz	ZFDIXRMRTODLFR-FQEVSTJZSA-N	-2	0	433.441	3.414	1	0		IGAFRL
Cc1c2cc(F)ccc2sc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1S(C)(=O)=O	ZINC000013587582	562995706	/nfs/dbraw/zinc/99/57/06/562995706.db2.gz	DGOMUEVSEJYCAW-UHFFFAOYSA-N	-2	0	443.499	3.251	1	0		IGAFRL
CCC1(CC)C(=O)N(C(=O)NCc2ccc(C(=O)[O-])cc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027209433	563040926	/nfs/dbraw/zinc/04/09/26/563040926.db2.gz	REYCALIUTKZXGE-OAQYLSRUSA-N	-2	0	440.452	3.346	1	0		IGAFRL
Cc1ccccc1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000040892437	563110086	/nfs/dbraw/zinc/11/00/86/563110086.db2.gz	LBJYXJXBQCTSHC-IBGZPJMESA-N	-2	0	435.436	3.450	1	0		IGAFRL
CC(C)Cn1c(-c2ccc(P(=O)([O-])[O-])o2)nc2c1c(Br)cc(F)c2N	ZINC000045299474	563128949	/nfs/dbraw/zinc/12/89/49/563128949.db2.gz	YXKXJQUMLFQSLP-UHFFFAOYSA-N	-2	0	432.186	3.239	1	0		IGAFRL
S=c1[n-]n2c(CCCCCCCCc3nnc4sc(=S)[n-]n34)nnc2s1	ZINC000001862007	562925076	/nfs/dbraw/zinc/92/50/76/562925076.db2.gz	MPOOMERQSHBQMG-UHFFFAOYSA-N	-2	0	426.622	3.388	1	0		IGAFRL
CCCC[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NC[C@@H](O)C(=O)[O-])C(=O)[O-]	ZINC000029407168	563079602	/nfs/dbraw/zinc/07/96/02/563079602.db2.gz	MKBUPSIAEKNMBU-YPAWHYETSA-N	-2	0	441.524	3.355	1	0		IGAFRL
CCCCOc1ccc2cc(S(=O)(=O)N[C@@H]3CC[C@@H](C(=O)[O-])C[C@@H]3C(=O)[O-])ccc2c1	ZINC000072112277	563163424	/nfs/dbraw/zinc/16/34/24/563163424.db2.gz	ZAJDNFYQKMWEGW-LSTHTHJFSA-N	-2	0	449.525	3.251	1	0		IGAFRL
O=C([O-])C(C(=O)[O-])[C@@H](CC(=O)c1ccc(I)cc1)c1ccccc1	ZINC000095579058	563186910	/nfs/dbraw/zinc/18/69/10/563186910.db2.gz	RLEQHNWKPHJQER-AWEZNQCLSA-N	-2	0	438.217	3.433	1	0		IGAFRL
O=C([O-])CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)[O-])Oc2ccccc21	ZINC000012358385	562981721	/nfs/dbraw/zinc/98/17/21/562981721.db2.gz	KHLBKUCUEUCPCK-FQEVSTJZSA-N	-2	0	427.453	3.132	1	0		IGAFRL
O=C([O-])C1N=C(c2sccc2NC(=O)Cc2csc3ccccc23)[N-]C(=O)C1=O	ZINC000003583400	562936624	/nfs/dbraw/zinc/93/66/24/562936624.db2.gz	YAVCDOHXIACIMS-UHFFFAOYSA-N	-2	0	427.463	3.298	1	0		IGAFRL
O=C([O-])C[C@@](O)(CSCCCCC[S@](=O)c1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000013758202	563004691	/nfs/dbraw/zinc/00/46/91/563004691.db2.gz	POIIQGILWYWXHQ-AKJBCIBTSA-N	-2	0	443.370	3.295	1	0		IGAFRL
CCCc1ccc(CCC(=O)c2c(O)cc(O[C@@H](CCC(=O)[O-])C(=O)[O-])cc2O)cc1O	ZINC000027429485	563042313	/nfs/dbraw/zinc/04/23/13/563042313.db2.gz	FXGNWHUYPBTNEK-FQEVSTJZSA-N	-2	0	446.452	3.268	1	0		IGAFRL
CCCCOc1ccc2cc(S(=O)(=O)N[C@@H]3CC[C@H](C(=O)[O-])C[C@@H]3C(=O)[O-])ccc2c1	ZINC000072112275	563163440	/nfs/dbraw/zinc/16/34/40/563163440.db2.gz	ZAJDNFYQKMWEGW-FFZOFVMBSA-N	-2	0	449.525	3.251	1	0		IGAFRL
CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)[C@H](C(=O)[O-])[C@H]3C(=O)[O-]	ZINC000004416489	562943299	/nfs/dbraw/zinc/94/32/99/562943299.db2.gz	NEZTUQCJKXTWFV-UGIIKOHNSA-N	-2	0	428.525	3.447	1	0		IGAFRL
O=C([O-])C[C@](O)(CSCCCCC[S@@](=O)c1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000013758200	563004736	/nfs/dbraw/zinc/00/47/36/563004736.db2.gz	POIIQGILWYWXHQ-QMTYFTJSSA-N	-2	0	443.370	3.295	1	0		IGAFRL
O=C(CN(CCc1ccccc1)Cc1ccccc1)Oc1ccccc1P(=O)([O-])[O-]	ZINC000015895121	563018360	/nfs/dbraw/zinc/01/83/60/563018360.db2.gz	WVIXVQNFKPXCNI-UHFFFAOYSA-N	-2	0	425.421	3.140	3	0		IGAFRL
O=C([O-])[C@H]1CC2(CN1C(=O)C[P@](=O)([O-])CCCCc1ccccc1)SCCS2	ZINC000026941531	563038013	/nfs/dbraw/zinc/03/80/13/563038013.db2.gz	SCLVAMUVMTZGEU-MRXNPFEDSA-N	-2	0	443.527	3.142	1	0		IGAFRL
CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]3(C)CC[C@@H](O)C[C@]34C=C[C@@]12[C@@H](C(=O)[O-])[C@H]4C(=O)[O-]	ZINC000033363599	563084402	/nfs/dbraw/zinc/08/44/02/563084402.db2.gz	NEZTUQCJKXTWFV-MYDPUDAESA-N	-2	0	428.525	3.447	1	0		IGAFRL
NC(=O)c1ccc(Oc2cccc(CC(=O)[O-])c2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000045259768	563127648	/nfs/dbraw/zinc/12/76/48/563127648.db2.gz	MYRIXKLAPMTTFW-UHFFFAOYSA-N	-2	0	426.450	3.006	1	0		IGAFRL
O=C([N-]S(=O)(=O)c1ccccc1)c1ccc2cc(C(F)(F)P(=O)([O-])[O-])ccc2c1	ZINC000013538393	562992644	/nfs/dbraw/zinc/99/26/44/562992644.db2.gz	YZJCHIWQQASCGY-UHFFFAOYSA-N	-3	0	441.348	3.186	1	0		IGAFRL
CCCc1ccc(CCC(=O)c2c(O)cc(O[C@H](CCC(=O)[O-])C(=O)[O-])cc2O)cc1O	ZINC000027429490	563042296	/nfs/dbraw/zinc/04/22/96/563042296.db2.gz	FXGNWHUYPBTNEK-HXUWFJFHSA-N	-2	0	446.452	3.268	1	0		IGAFRL
C/C(=C\CO[P@@](=O)([O-])OP(=O)([O-])[O-])COc1cccc(C(=O)c2ccccc2)c1	ZINC000040434552	563103714	/nfs/dbraw/zinc/10/37/14/563103714.db2.gz	PDIWSWUTUXPEGR-GXDHUFHOSA-N	-3	0	442.297	3.469	1	0		IGAFRL
O=C([O-])C(=O)c1ccc(OCc2ccc(COc3ccc(C(=O)C(=O)[O-])cc3)cc2)cc1	ZINC000013490979	291363047	/nfs/dbraw/zinc/36/30/47/291363047.db2.gz	HNHFGJRWYYEILT-UHFFFAOYSA-N	-2	0	434.400	3.379	1	0	biogenic,in-vitro	IGAFRL
CCC1(CC)C(=O)N(C(=O)NCc2ccc(C(=O)[O-])cc2)[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027209437	563040941	/nfs/dbraw/zinc/04/09/41/563040941.db2.gz	REYCALIUTKZXGE-NRFANRHFSA-N	-2	0	440.452	3.346	1	0		IGAFRL
O=C([O-])CC[C@H](C(=O)[O-])c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1	ZINC000028460593	563055117	/nfs/dbraw/zinc/05/51/17/563055117.db2.gz	WXKBDVDQNMAQAL-HNNXBMFYSA-N	-2	0	441.465	3.402	1	0		IGAFRL
O=[P@@]([O-])(O)[C@H](Cc1ccccc1)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000087676237	563180092	/nfs/dbraw/zinc/18/00/92/563180092.db2.gz	NAOAQOAPOBTFLY-FGZHOGPDSA-N	-2	0	449.451	3.487	1	0		IGAFRL
O=C([O-])C[C@H](NC(=O)c1cc(=O)n(-c2ccccc2F)[n-]1)c1ccccc1C(F)(F)F	ZINC000095554593	563181232	/nfs/dbraw/zinc/18/12/32/563181232.db2.gz	YXWWGITXGQDYPS-AWEZNQCLSA-N	-2	0	437.349	3.269	1	0		IGAFRL
O=C([O-])C(C(=O)[O-])[C@H](CC(=O)c1ccc(I)cc1)c1ccccc1	ZINC000095579057	563186896	/nfs/dbraw/zinc/18/68/96/563186896.db2.gz	RLEQHNWKPHJQER-CQSZACIVSA-N	-2	0	438.217	3.433	1	0		IGAFRL
CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)[C@@H](C(=O)[O-])[C@H]3C(=O)[O-]	ZINC000004416490	562943304	/nfs/dbraw/zinc/94/33/04/562943304.db2.gz	NEZTUQCJKXTWFV-UBKSCSJOSA-N	-2	0	428.525	3.447	1	0		IGAFRL
O=C([O-])c1cccc(S(=O)(=O)[N-]N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)c1	ZINC000005955481	562945503	/nfs/dbraw/zinc/94/55/03/562945503.db2.gz	IBTOSTKIDLKSIR-HNNXBMFYSA-N	-2	0	447.321	3.159	1	0		IGAFRL
O=C([O-])C1N=C(c2sccc2NC(=O)NCc2csc3ccccc23)[N-]C(=O)C1=O	ZINC000003583352	562936641	/nfs/dbraw/zinc/93/66/41/562936641.db2.gz	OPAZLNFXAREFMG-UHFFFAOYSA-N	-2	0	442.478	3.439	1	0		IGAFRL
O=C([O-])c1nn2c(c1C(=O)[O-])c1cc(NC(=O)Nc3ccccc3)c(Cl)cc1[nH]c2=O	ZINC000029061068	563073709	/nfs/dbraw/zinc/07/37/09/563073709.db2.gz	RLEGXTMHDNWMRU-UHFFFAOYSA-N	-2	0	441.787	3.282	1	0		IGAFRL
CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(c2)CCC3)c(O)cc1OP(=O)([O-])[O-]	ZINC000059113723	563146233	/nfs/dbraw/zinc/14/62/33/563146233.db2.gz	BYPDYJHVTIARDI-UHFFFAOYSA-N	-2	0	431.385	3.017	1	0		IGAFRL
CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)[C@H](C(=O)[O-])[C@@H]3C(=O)[O-]	ZINC000004416487	562943300	/nfs/dbraw/zinc/94/33/00/562943300.db2.gz	NEZTUQCJKXTWFV-SVUDATHKSA-N	-2	0	428.525	3.447	1	0		IGAFRL
O=c1oc2cc(O)ccc2c([O-])c1C(c1ccccn1)c1c([O-])c2ccc(O)cc2oc1=O	ZINC000005580954	562944166	/nfs/dbraw/zinc/94/41/66/562944166.db2.gz	GOILOMCGUQUBPC-UHFFFAOYSA-N	-2	0	445.383	3.297	1	0		IGAFRL
O=C([O-])CC[C@@H](C(=O)[O-])c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1	ZINC000028460590	563054988	/nfs/dbraw/zinc/05/49/88/563054988.db2.gz	WXKBDVDQNMAQAL-OAHLLOKOSA-N	-2	0	441.465	3.402	1	0		IGAFRL
CCCCCCOc1ccc2cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc2c1	ZINC000040866982	563108868	/nfs/dbraw/zinc/10/88/68/563108868.db2.gz	JGFNANFHPWZKBK-LJQANCHMSA-N	-2	0	437.514	3.395	1	0		IGAFRL
COCC[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)[O-])C(=O)[O-]	ZINC000013741335	563003308	/nfs/dbraw/zinc/00/33/08/563003308.db2.gz	SVOCYLFAFQGFHR-NHCUHLMSSA-N	-2	0	427.497	3.231	1	0		IGAFRL
CCCc1cc([O-])c([C@@H](c2cccc([N-]S(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1	ZINC000013756557	563004488	/nfs/dbraw/zinc/00/44/88/563004488.db2.gz	AHSQZQWEKNDRIX-HXUWFJFHSA-N	-2	0	443.525	3.374	1	0		IGAFRL
C[C@@H](CC(=O)NC(=O)c1coc(/C=C/C=C/CCCCCCC(=O)[O-])cc1=O)C(=O)[O-]	ZINC000014594140	563014601	/nfs/dbraw/zinc/01/46/01/563014601.db2.gz	VXFQAPGOPXEMPB-ZDHJVBDKSA-N	-2	0	433.457	3.002	1	0		IGAFRL
COc1ccc(Oc2ccc(F)cc2)cc1CCC[C@H]([P@@](=O)([O-])O)S(=O)(=O)[O-]	ZINC000045505861	563134822	/nfs/dbraw/zinc/13/48/22/563134822.db2.gz	RCEOJTHKSXBGNA-QGZVFWFLSA-N	-2	0	434.378	3.341	1	0		IGAFRL
O=C([O-])c1cccc(S(=O)(=O)[N-]N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)c1	ZINC000001642141	562923518	/nfs/dbraw/zinc/92/35/18/562923518.db2.gz	IBTOSTKIDLKSIR-OAHLLOKOSA-N	-2	0	447.321	3.159	1	0		IGAFRL
CCCc1cc([O-])c([C@H](c2cccc([N-]S(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1	ZINC000003815638	562938583	/nfs/dbraw/zinc/93/85/83/562938583.db2.gz	AHSQZQWEKNDRIX-FQEVSTJZSA-N	-2	0	443.525	3.374	1	0		IGAFRL
CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)[C@@H](C(=O)[O-])[C@@H]3C(=O)[O-]	ZINC000004416488	562943294	/nfs/dbraw/zinc/94/32/94/562943294.db2.gz	NEZTUQCJKXTWFV-MLLVHBNWSA-N	-2	0	428.525	3.447	1	0		IGAFRL
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028563225	563057649	/nfs/dbraw/zinc/05/76/49/563057649.db2.gz	SBSLGLKCPLPONN-YSVLISHTSA-N	-3	0	429.406	3.121	1	0		IGAFRL
O=C([O-])CCNC(=O)[C@@H](Cc1ccccc1)O[P@](=O)([O-])CCCCc1ccccc1	ZINC000013734481	563002144	/nfs/dbraw/zinc/00/21/44/563002144.db2.gz	ZFDIXRMRTODLFR-HXUWFJFHSA-N	-2	0	433.441	3.414	1	0		IGAFRL
CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1	ZINC000027863047	563047564	/nfs/dbraw/zinc/04/75/64/563047564.db2.gz	HJADDWSXASCMHG-NRFANRHFSA-N	-2	0	440.452	3.346	1	0		IGAFRL
C/C(=C\CO[P@@](=O)([O-])OP(=O)([O-])[O-])COc1ccc(C(=O)c2ccccc2)cc1	ZINC000040440056	563103672	/nfs/dbraw/zinc/10/36/72/563103672.db2.gz	ITZCSRRHGMNXSF-SDNWHVSQSA-N	-3	0	442.297	3.469	1	0		IGAFRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccccc3)ccc2c1)C(=O)[O-]	ZINC000040848177	563107806	/nfs/dbraw/zinc/10/78/06/563107806.db2.gz	SVDIANYTQJOIOU-HXUWFJFHSA-N	-2	0	443.477	3.015	1	0		IGAFRL
O=C([O-])C[C@@](O)(CSCCCCC[S@@](=O)c1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000013758199	563004603	/nfs/dbraw/zinc/00/46/03/563004603.db2.gz	POIIQGILWYWXHQ-DXPJPUQTSA-N	-2	0	443.370	3.295	1	0		IGAFRL
CCCc1nc(C(=O)[O-])c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000003792193	562938034	/nfs/dbraw/zinc/93/80/34/562938034.db2.gz	GSUQFFAIQCAYST-UHFFFAOYSA-N	-2	0	432.440	3.127	1	0		IGAFRL
C[C@@H](NC(=O)CCCC(=O)[O-])C(=O)S[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026569902	563033260	/nfs/dbraw/zinc/03/32/60/563033260.db2.gz	YRSPOGZYRWDLIX-DNVCBOLYSA-N	-2	0	443.521	3.369	1	0		IGAFRL
O=c1oc2cc(O)ccc2c([O-])c1C(c1cccnc1)c1c([O-])c2ccc(O)cc2oc1=O	ZINC000005580952	562944218	/nfs/dbraw/zinc/94/42/18/562944218.db2.gz	FXBQFSDQNSBOAW-UHFFFAOYSA-N	-2	0	445.383	3.297	1	0		IGAFRL
CCCC[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NC[C@H](O)C(=O)[O-])C(=O)[O-]	ZINC000013741332	563003313	/nfs/dbraw/zinc/00/33/13/563003313.db2.gz	MKBUPSIAEKNMBU-VSKRKVRLSA-N	-2	0	441.524	3.355	1	0		IGAFRL
O=C([O-])C[C@](O)(CSCCCCC[S@](=O)c1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000013758205	563004734	/nfs/dbraw/zinc/00/47/34/563004734.db2.gz	POIIQGILWYWXHQ-YHAMSUFESA-N	-2	0	443.370	3.295	1	0		IGAFRL