smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)c1	ZINC000005710850	557669832	/nfs/dbraw/zinc/66/98/32/557669832.db2.gz	ARUXVSYIRBTWIW-ZSOIEALJSA-N	-2	0	414.801	2.778	40	10		HFCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1C	ZINC000059678388	568709825	/nfs/dbraw/zinc/70/98/25/568709825.db2.gz	NOJMMJVOSDKZHN-XWAFYUISSA-N	-2	0	424.478	2.987	40	10		HFCBRL
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000107892751	569361109	/nfs/dbraw/zinc/36/11/09/569361109.db2.gz	WEYBRARGZWRLLE-IIMQCXAKSA-N	-2	0	422.437	2.737	40	10		HFCBRL
O=C([O-])Cn1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c2ccccc21	ZINC000009264433	132337776	/nfs/dbraw/zinc/33/77/76/132337776.db2.gz	OGLWAABRBKSAOW-PXNMLYILSA-N	-2	0	423.425	2.696	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2cccc(C)c2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000104315438	559160290	/nfs/dbraw/zinc/16/02/90/559160290.db2.gz	ZIJIGENUTDZKSV-OAFDPHIXSA-N	-2	0	421.413	2.919	40	10		HFCBRL
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OCC	ZINC000408938664	560656460	/nfs/dbraw/zinc/65/64/60/560656460.db2.gz	QXDMONCFRNONLN-LFIBNONCSA-N	-2	0	424.409	2.849	40	10		HFCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)c1	ZINC000409190572	560689190	/nfs/dbraw/zinc/68/91/90/560689190.db2.gz	ZRHLLULZZNZVTP-SWEABUAFSA-N	-2	0	408.410	2.822	40	10		HFCBRL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S	ZINC000016932332	569267694	/nfs/dbraw/zinc/26/76/94/569267694.db2.gz	VVPFYNWJGVZJCM-QENILXLESA-N	-2	0	405.453	2.525	40	10		HFCBRL
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)c1	ZINC000009260238	132337783	/nfs/dbraw/zinc/33/77/83/132337783.db2.gz	QRRHTTKFBFLSHT-PDGQHHTCSA-N	-2	0	421.478	2.816	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2C)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000102971383	559153911	/nfs/dbraw/zinc/15/39/11/559153911.db2.gz	ARKXYEDTRSOTOI-FYTMPNSFSA-N	-2	0	421.413	2.919	40	10		HFCBRL
Cc1noc([N-]S(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)c1C	ZINC000104123410	559158182	/nfs/dbraw/zinc/15/81/82/559158182.db2.gz	MUOBPHAKYOZZBA-WPCFGXOUSA-N	-2	0	411.490	2.650	40	10		HFCBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)c1	ZINC000409188827	560688155	/nfs/dbraw/zinc/68/81/55/560688155.db2.gz	AWNTYFADBYMUFU-MPMPPSQCSA-N	-2	0	424.478	2.987	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2ccc(C)cc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000102945781	559153740	/nfs/dbraw/zinc/15/37/40/559153740.db2.gz	BXNHLUPSDGPLCF-FYTMPNSFSA-N	-2	0	421.413	2.919	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000104315396	559160287	/nfs/dbraw/zinc/16/02/87/559160287.db2.gz	MVQTXYTUVHSXSU-LINNUKDLSA-N	-2	0	407.386	2.611	40	10		HFCBRL
CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1[O-]	ZINC000408903150	560652319	/nfs/dbraw/zinc/65/23/19/560652319.db2.gz	QAQSOKBESDHHQH-RIYZIHGNSA-N	-2	0	415.333	2.505	40	10		HFCBRL
C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)C(=O)[O-]	ZINC000409196340	560690428	/nfs/dbraw/zinc/69/04/28/560690428.db2.gz	ZDSHLCFSVMAWIH-BTAWCLGRSA-N	-2	0	414.801	2.858	40	10		HFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409233055	560700676	/nfs/dbraw/zinc/70/06/76/560700676.db2.gz	UHQKCBTWCHWLMJ-KWWJGWKXSA-N	-2	0	424.409	2.522	40	10		HFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409244429	560703022	/nfs/dbraw/zinc/70/30/22/560703022.db2.gz	CPBJEOOQFMYMGO-JMRXEAOASA-N	-2	0	424.409	2.522	40	10		HFCBRL
COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1[O-]	ZINC000408897991	560651579	/nfs/dbraw/zinc/65/15/79/560651579.db2.gz	KEQIFZWXVODUMF-OVCLIPMQSA-N	-2	0	411.370	2.592	40	10		HFCBRL
CCOc1cccc(N2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C(=O)[N-]C2=S)c1	ZINC000408963340	560658647	/nfs/dbraw/zinc/65/86/47/560658647.db2.gz	NHBVTODFBHVOLR-RIYZIHGNSA-N	-2	0	413.411	2.530	40	10		HFCBRL
C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000409190747	560689249	/nfs/dbraw/zinc/68/92/49/560689249.db2.gz	QLNIVCSIJXJJDZ-HGLKBHAMSA-N	-2	0	414.801	2.858	40	10		HFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409214476	560696489	/nfs/dbraw/zinc/69/64/89/560696489.db2.gz	XXOBVXQDLXLFKN-LFYBBSHMSA-N	-2	0	417.761	2.629	40	10		HFCBRL
COc1ccc2c(c1)[nH]c(C(=O)[O-])c2/C=C1\SC(=S)N(CCC(=O)[O-])C1=O	ZINC000256055293	568774751	/nfs/dbraw/zinc/77/47/51/568774751.db2.gz	AXKBONNJEJUSFT-GHXNOFRVSA-N	-2	0	406.441	2.551	40	10		HFCBRL
COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000033547148	569360156	/nfs/dbraw/zinc/36/01/56/569360156.db2.gz	OWZPUNLECMJRTH-PDICVPPASA-N	-2	0	416.817	2.662	40	10		HFCBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OCC(=O)[O-])c2)C1=O	ZINC000409073822	560673680	/nfs/dbraw/zinc/67/36/80/560673680.db2.gz	IVAUNFQQNMUAJH-ZROIWOOFSA-N	-2	0	414.801	2.778	40	10		HFCBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1	ZINC000409097258	560675982	/nfs/dbraw/zinc/67/59/82/560675982.db2.gz	LYFSBUWGZXKBRE-FOWTUZBSSA-N	-2	0	419.368	2.981	40	10		HFCBRL
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)o1	ZINC000409195528	560690206	/nfs/dbraw/zinc/69/02/06/560690206.db2.gz	QMZHKEXOFKCSEV-RVDMUPIBSA-N	-2	0	413.455	2.655	40	10		HFCBRL
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000033475816	569360160	/nfs/dbraw/zinc/36/01/60/569360160.db2.gz	ATPOBCWZLSCBCY-PDGQHHTCSA-N	-2	0	422.437	2.739	40	10		HFCBRL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	ZINC000012273949	569400056	/nfs/dbraw/zinc/40/00/56/569400056.db2.gz	ZFRTXQDLIHHPAF-KBUNYLKBSA-N	-2	0	420.262	2.561	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000102941272	559153738	/nfs/dbraw/zinc/15/37/38/559153738.db2.gz	MVQTXYTUVHSXSU-CCWVLBSLSA-N	-2	0	407.386	2.611	40	10		HFCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)c(C)c1	ZINC000409189139	560688820	/nfs/dbraw/zinc/68/88/20/560688820.db2.gz	DFQHLGZAUMCUGO-LUYJPIOASA-N	-2	0	424.478	2.987	40	10		HFCBRL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409202241	560693224	/nfs/dbraw/zinc/69/32/24/560693224.db2.gz	QRGGHZCETLMZPB-WUXMJOGZSA-N	-2	0	401.762	2.929	40	10		HFCBRL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc[nH]n3)c2)cc1[N+](=O)[O-]	ZINC000008859973	571128277	/nfs/dbraw/zinc/12/82/77/571128277.db2.gz	DPCMDGLZGJKCSG-UHFFFAOYSA-N	-2	0	407.433	2.679	40	10		HFCBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)c1	ZINC000409400110	560720724	/nfs/dbraw/zinc/72/07/24/560720724.db2.gz	OWHZZWYRFLDMLB-BOPFTXTBSA-N	-3	0	418.361	2.804	40	10		HFCBRL
O=C([O-])COc1ccccc1C=C1C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000033331166	568696909	/nfs/dbraw/zinc/69/69/09/568696909.db2.gz	FPNHGTHBYBCJMF-FMIVXFBMSA-N	-2	0	400.387	2.961	40	10		HFCBRL
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	ZINC000408553525	557432812	/nfs/dbraw/zinc/43/28/12/557432812.db2.gz	ZSZVPUFKVSNXTJ-WQLSENKSSA-N	-2	0	419.821	2.921	40	10		HFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408851851	560646802	/nfs/dbraw/zinc/64/68/02/560646802.db2.gz	GRUNGKXHOZXPFH-RIYZIHGNSA-N	-2	0	411.370	2.674	40	10		HFCBRL
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1C(=O)[O-]	ZINC000409043511	560669221	/nfs/dbraw/zinc/66/92/21/560669221.db2.gz	RIUPQJIGKHFWTP-XFXZXTDPSA-N	-2	0	400.774	2.713	40	10		HFCBRL
CN1CCCc2cc(/C=C3\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)ccc21	ZINC000054360860	569072260	/nfs/dbraw/zinc/07/22/60/569072260.db2.gz	SWSKJKLOAIPAAH-MKRLJBPISA-N	-2	0	420.512	2.588	40	10		HFCBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000034857579	557018358	/nfs/dbraw/zinc/01/83/58/557018358.db2.gz	XFOJPUFMHASOGN-ZSOIEALJSA-N	-2	0	416.817	2.664	40	10		HFCBRL
Cc1noc([N-]S(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)c1C	ZINC000104123415	559158206	/nfs/dbraw/zinc/15/82/06/559158206.db2.gz	MUOBPHAKYOZZBA-CMTMBAJVSA-N	-2	0	411.490	2.650	40	10		HFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000408769164	560638932	/nfs/dbraw/zinc/63/89/32/560638932.db2.gz	PHIQQBYWMMDYBL-MHWRWJLKSA-N	-2	0	424.409	2.524	40	10		HFCBRL
O=C([O-])Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c2ccccc21	ZINC000408915823	560654188	/nfs/dbraw/zinc/65/41/88/560654188.db2.gz	ZPXVPRGDEPIFCP-LZYBPNLTSA-N	-2	0	407.357	2.531	40	10		HFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409016721	560666649	/nfs/dbraw/zinc/66/66/49/560666649.db2.gz	VMPYWUFAKHLKOP-BVTUPMQUSA-N	-2	0	424.409	2.522	40	10		HFCBRL
COc1ccc2c(c1)[nH]c(C(=O)[O-])c2/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000256055530	568774767	/nfs/dbraw/zinc/77/47/67/568774767.db2.gz	JTNPWNDQQFWNIF-JYRVWZFOSA-N	-2	0	420.468	2.941	40	10		HFCBRL
CCN(CC)c1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000015034696	558703632	/nfs/dbraw/zinc/70/36/32/558703632.db2.gz	PBJGUQKNXMRPDS-GFAPJHNFSA-N	-2	0	408.501	2.662	40	10		HFCBRL
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000408852149	560646866	/nfs/dbraw/zinc/64/68/66/560646866.db2.gz	COZBYTAXQTURMJ-LFIBNONCSA-N	-2	0	424.409	2.849	40	10		HFCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)c1	ZINC000409190569	560689124	/nfs/dbraw/zinc/68/91/24/560689124.db2.gz	ZRHLLULZZNZVTP-MPMPPSQCSA-N	-2	0	408.410	2.822	40	10		HFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409233243	560700706	/nfs/dbraw/zinc/70/07/06/560700706.db2.gz	UHQKCBTWCHWLMJ-XDUBLRSXSA-N	-2	0	424.409	2.522	40	10		HFCBRL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)o2)cc1	ZINC000409389987	560720662	/nfs/dbraw/zinc/72/06/62/560720662.db2.gz	DCIMBYWBULFYKJ-LFIBNONCSA-N	-2	0	403.350	2.706	40	10		HFCBRL
O=C([O-])COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl	ZINC000033784293	569360484	/nfs/dbraw/zinc/36/04/84/569360484.db2.gz	WVYIJPZHRZRUCL-SDQBBNPISA-N	-2	0	407.209	2.918	40	10		HFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408902102	560651574	/nfs/dbraw/zinc/65/15/74/560651574.db2.gz	GDAXNPRGTXTCOI-NTUHNPAUSA-N	-2	0	415.333	2.505	40	10		HFCBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000408992652	560662561	/nfs/dbraw/zinc/66/25/61/560662561.db2.gz	UOPQVEHBUYSJHG-LICLKQGHSA-N	-2	0	410.451	2.598	40	10		HFCBRL
O=C([O-])COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000409045476	560669438	/nfs/dbraw/zinc/66/94/38/560669438.db2.gz	YSKVZCXXCBCRSC-RIYZIHGNSA-N	-2	0	418.764	2.609	40	10		HFCBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000409047055	560669632	/nfs/dbraw/zinc/66/96/32/560669632.db2.gz	MJYAVLJQYCLOTG-NTEUORMPSA-N	-2	0	414.801	2.778	40	10		HFCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1C	ZINC000059678387	568709943	/nfs/dbraw/zinc/70/99/43/568709943.db2.gz	NOJMMJVOSDKZHN-BGARDKSCSA-N	-2	0	424.478	2.987	40	10		HFCBRL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S	ZINC000054360823	569072209	/nfs/dbraw/zinc/07/22/09/569072209.db2.gz	AAMPLAGIHYSXSU-CKXDQPNJSA-N	-2	0	402.453	2.754	40	10		HFCBRL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000038173442	569360793	/nfs/dbraw/zinc/36/07/93/569360793.db2.gz	JKPCTLXVUKLPMJ-WUXMJOGZSA-N	-2	0	401.331	2.794	40	10		HFCBRL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)o2)cc1	ZINC000002236467	557329993	/nfs/dbraw/zinc/32/99/93/557329993.db2.gz	ZKFQMGOPDBURNC-MHWRWJLKSA-N	-2	0	406.350	2.900	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2C)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000104315421	559160308	/nfs/dbraw/zinc/16/03/08/559160308.db2.gz	ARKXYEDTRSOTOI-QNBCRBJRSA-N	-2	0	421.413	2.919	40	10		HFCBRL
C[C@@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1)C(=O)[O-]	ZINC000408847848	560646665	/nfs/dbraw/zinc/64/66/65/560646665.db2.gz	VZKALSGPMNMFGJ-HPUUJOOBSA-N	-2	0	414.801	2.858	40	10		HFCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])cc(OC)c3[O-])C2=O)cc1	ZINC000408982119	560661103	/nfs/dbraw/zinc/66/11/03/560661103.db2.gz	GACSCUITSIIBJL-DHDCSXOGSA-N	-2	0	411.370	2.538	40	10		HFCBRL
Cc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)c1C	ZINC000409190487	560689126	/nfs/dbraw/zinc/68/91/26/560689126.db2.gz	OMAAMRMGRYNBEU-DSQDWWTGSA-N	-2	0	424.478	2.987	40	10		HFCBRL
Cc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)c1C	ZINC000409190488	560689155	/nfs/dbraw/zinc/68/91/55/560689155.db2.gz	OMAAMRMGRYNBEU-LUYJPIOASA-N	-2	0	424.478	2.987	40	10		HFCBRL
C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000409190749	560689277	/nfs/dbraw/zinc/68/92/77/560689277.db2.gz	QLNIVCSIJXJJDZ-KBVGCWLLSA-N	-2	0	414.801	2.858	40	10		HFCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)cc1C	ZINC000409193804	560689839	/nfs/dbraw/zinc/68/98/39/560689839.db2.gz	LWKHWEIWGLPBIX-SWEABUAFSA-N	-2	0	408.410	2.822	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000104315401	559160297	/nfs/dbraw/zinc/16/02/97/559160297.db2.gz	MVQTXYTUVHSXSU-KYAFNBKBSA-N	-2	0	407.386	2.611	40	10		HFCBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1Cl	ZINC000408848698	560646980	/nfs/dbraw/zinc/64/69/80/560646980.db2.gz	RZYDYMJNDVDLMZ-YRNVUSSQSA-N	-2	0	418.764	2.609	40	10		HFCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)[O-])c4ccccc34)C2=O)cc1	ZINC000408984959	560661504	/nfs/dbraw/zinc/66/15/04/560661504.db2.gz	USWLWWZEBLDVKY-WQRHYEAKSA-N	-2	0	417.421	2.955	40	10		HFCBRL
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408994589	560663184	/nfs/dbraw/zinc/66/31/84/560663184.db2.gz	ICBZRYYYDWJKHF-QPEQYQDCSA-N	-2	0	401.806	2.537	40	10		HFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409009616	560665254	/nfs/dbraw/zinc/66/52/54/560665254.db2.gz	GWIPFPXYFBADRX-RKPNYOAGSA-N	-2	0	424.409	2.522	40	10		HFCBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)c1	ZINC000409188829	560688124	/nfs/dbraw/zinc/68/81/24/560688124.db2.gz	AWNTYFADBYMUFU-SWEABUAFSA-N	-2	0	424.478	2.987	40	10		HFCBRL
Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21	ZINC000409190963	560689238	/nfs/dbraw/zinc/68/92/38/560689238.db2.gz	CVXFJHBUZIEZOQ-MHWRWJLKSA-N	-2	0	405.435	2.708	40	10		HFCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000409192224	560689470	/nfs/dbraw/zinc/68/94/70/560689470.db2.gz	AAZQQHODILKBDK-VLURKWGBSA-N	-2	0	408.410	2.767	40	10		HFCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)[N-]C2=S)cc1	ZINC000409188961	560688225	/nfs/dbraw/zinc/68/82/25/560688225.db2.gz	LPCYIGIZUFDBGA-YRNVUSSQSA-N	-2	0	421.228	2.572	40	10		HFCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)cc1	ZINC000408859724	560648041	/nfs/dbraw/zinc/64/80/41/560648041.db2.gz	YOOLRWMIHWWKMO-HTMJNSLASA-N	-2	0	424.409	2.604	40	10		HFCBRL
C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O)C(=O)[O-]	ZINC000409191521	560689400	/nfs/dbraw/zinc/68/94/00/560689400.db2.gz	YCYAIQFQISEZHK-BVRAVYJCSA-N	-2	0	414.414	2.509	40	10		HFCBRL
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000033345497	568696723	/nfs/dbraw/zinc/69/67/23/568696723.db2.gz	YNAQXOYOKJXDQD-MDWZMJQESA-N	-2	0	404.176	2.524	40	10		HFCBRL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S	ZINC000016932336	569267702	/nfs/dbraw/zinc/26/77/02/569267702.db2.gz	VVPFYNWJGVZJCM-UGMNDJHYSA-N	-2	0	405.453	2.525	40	10		HFCBRL
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000107650255	569360962	/nfs/dbraw/zinc/36/09/62/569360962.db2.gz	ZZQUYOGBIPJVKK-WDZFZDKYSA-N	-2	0	404.176	2.524	40	10		HFCBRL
O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)o2)c1	ZINC000041076793	526387224	/nfs/dbraw/zinc/38/72/24/526387224.db2.gz	FFZYEWIBCULOPF-MHWRWJLKSA-N	-2	0	406.350	2.900	40	10		HFCBRL
Cc1noc([N-]S(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)c1C	ZINC000104123424	559158160	/nfs/dbraw/zinc/15/81/60/559158160.db2.gz	MUOBPHAKYOZZBA-PHODEOQFSA-N	-2	0	411.490	2.650	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2ccc(C)cc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000104315446	559160339	/nfs/dbraw/zinc/16/03/39/559160339.db2.gz	BXNHLUPSDGPLCF-OAFDPHIXSA-N	-2	0	421.413	2.919	40	10		HFCBRL
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1C(=O)[O-]	ZINC000409040558	560668712	/nfs/dbraw/zinc/66/87/12/560668712.db2.gz	GRTWMNZWTHYUPE-ZSOIEALJSA-N	-2	0	400.774	2.713	40	10		HFCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)[O-])c3)C2=O)cc1Cl	ZINC000409072585	560673485	/nfs/dbraw/zinc/67/34/85/560673485.db2.gz	CSEHCXCJHXSXBP-NVNXTCNLSA-N	-2	0	414.801	2.778	40	10		HFCBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409203073	560693615	/nfs/dbraw/zinc/69/36/15/560693615.db2.gz	UXUWZVBRAQAJFL-YRNVUSSQSA-N	-2	0	401.762	2.929	40	10		HFCBRL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)o1	ZINC000409373982	560717059	/nfs/dbraw/zinc/71/70/59/560717059.db2.gz	XJDNQUPEQCFDHA-MHWRWJLKSA-N	-2	0	406.350	2.900	40	10		HFCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1C	ZINC000409189246	560687976	/nfs/dbraw/zinc/68/79/76/560687976.db2.gz	NUYFRRVMWZAQFR-MPMPPSQCSA-N	-2	0	424.478	2.987	40	10		HFCBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccccc2O[C@H](C)C(=O)[O-])C(=O)[N-]C1=S	ZINC000409194597	560690005	/nfs/dbraw/zinc/69/00/05/560690005.db2.gz	PMLRLEHNQBJMHG-MLDYKZIASA-N	-2	0	424.478	2.932	40	10		HFCBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccccc2O[C@@H](C)C(=O)[O-])C(=O)[N-]C1=S	ZINC000409194595	560690021	/nfs/dbraw/zinc/69/00/21/560690021.db2.gz	PMLRLEHNQBJMHG-HKJJFUAXSA-N	-2	0	424.478	2.932	40	10		HFCBRL
CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409375697	560716197	/nfs/dbraw/zinc/71/61/97/560716197.db2.gz	OBKDHBZCIPOOHO-LFIBNONCSA-N	-2	0	410.451	2.544	40	10		HFCBRL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccncc4)C3=O)o2)c1	ZINC000409394271	560719686	/nfs/dbraw/zinc/71/96/86/560719686.db2.gz	XZBBIZLGOOYMKH-WJDWOHSUSA-N	-2	0	403.350	2.706	40	10		HFCBRL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S	ZINC000054360822	569072213	/nfs/dbraw/zinc/07/22/13/569072213.db2.gz	AAMPLAGIHYSXSU-GFAPJHNFSA-N	-2	0	402.453	2.754	40	10		HFCBRL
COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000033547149	569360198	/nfs/dbraw/zinc/36/01/98/569360198.db2.gz	OWZPUNLECMJRTH-BTAWCLGRSA-N	-2	0	416.817	2.662	40	10		HFCBRL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	ZINC000005374349	557648474	/nfs/dbraw/zinc/64/84/74/557648474.db2.gz	IXPGFCABLFXJAC-OYUORYAFSA-N	-2	0	403.840	2.998	40	10		HFCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000408855895	560647717	/nfs/dbraw/zinc/64/77/17/560647717.db2.gz	OQIBCADGIBQBDN-RIYZIHGNSA-N	-2	0	414.801	2.778	40	10		HFCBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1	ZINC000409103002	560677437	/nfs/dbraw/zinc/67/74/37/560677437.db2.gz	WZUOCOAVDDJSCV-QGOAFFKASA-N	-2	0	401.378	2.842	40	10		HFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409236224	560699170	/nfs/dbraw/zinc/69/91/70/560699170.db2.gz	FDJFIHNRRYRAQS-KWWJGWKXSA-N	-2	0	424.409	2.522	40	10		HFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409244430	560703033	/nfs/dbraw/zinc/70/30/33/560703033.db2.gz	CPBJEOOQFMYMGO-WDGDVPDHSA-N	-2	0	424.409	2.522	40	10		HFCBRL
COc1ccc(/C=C/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000059292778	568703468	/nfs/dbraw/zinc/70/34/68/568703468.db2.gz	HGGGCQJRGWXNOI-GFJWLWTISA-N	-2	0	408.435	2.781	40	10		HFCBRL
O=C([O-])c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000009311438	132338454	/nfs/dbraw/zinc/33/84/54/132338454.db2.gz	PGZLTTMKDSSVFU-ZROIWOOFSA-N	-2	0	415.199	2.814	40	10		HFCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(C(=O)[O-])c3)C2=O)cc1	ZINC000010038285	132344889	/nfs/dbraw/zinc/34/48/89/132344889.db2.gz	VNMSLVNCFZJTIM-SFQUDFHCSA-N	-2	0	424.409	2.849	40	10		HFCBRL
Cc1noc([N-]S(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)c1C	ZINC000104123420	559158203	/nfs/dbraw/zinc/15/82/03/559158203.db2.gz	MUOBPHAKYOZZBA-VLUKHXRESA-N	-2	0	411.490	2.650	40	10		HFCBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1	ZINC000409105952	560678485	/nfs/dbraw/zinc/67/84/85/560678485.db2.gz	PRQTVWHFIQPJMH-LDADJPATSA-N	-2	0	419.368	2.981	40	10		HFCBRL
CCc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409188953	560688252	/nfs/dbraw/zinc/68/82/52/560688252.db2.gz	LJFSJCGWYLFGEI-LVLBFHFTSA-N	-2	0	424.478	2.932	40	10		HFCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)cc1C	ZINC000409193802	560689868	/nfs/dbraw/zinc/68/98/68/560689868.db2.gz	LWKHWEIWGLPBIX-MPMPPSQCSA-N	-2	0	408.410	2.822	40	10		HFCBRL
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000107892743	569361105	/nfs/dbraw/zinc/36/11/05/569361105.db2.gz	WEYBRARGZWRLLE-HIXWQLQUSA-N	-2	0	422.437	2.737	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2C)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000102971384	559153893	/nfs/dbraw/zinc/15/38/93/559153893.db2.gz	ARKXYEDTRSOTOI-SMIQVMJNSA-N	-2	0	421.413	2.919	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2cccc(C)c2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000104315433	559160282	/nfs/dbraw/zinc/16/02/82/559160282.db2.gz	ZIJIGENUTDZKSV-QNBCRBJRSA-N	-2	0	421.413	2.919	40	10		HFCBRL
CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1[O-]	ZINC000408901339	560651290	/nfs/dbraw/zinc/65/12/90/560651290.db2.gz	XHJKUPHZVUNCQQ-OQLLNIDSSA-N	-2	0	411.370	2.674	40	10		HFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409009615	560665280	/nfs/dbraw/zinc/66/52/80/560665280.db2.gz	GWIPFPXYFBADRX-BVTUPMQUSA-N	-2	0	424.409	2.522	40	10		HFCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1=O	ZINC000059679539	568710067	/nfs/dbraw/zinc/71/00/67/568710067.db2.gz	XCPSYOAEKUJGRT-VLURKWGBSA-N	-2	0	408.410	2.767	40	10		HFCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000009259691	132337725	/nfs/dbraw/zinc/33/77/25/132337725.db2.gz	SHNJCESDUMUPLB-KAECEXQPSA-N	-2	0	424.409	2.604	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2C)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000104315426	559160325	/nfs/dbraw/zinc/16/03/25/559160325.db2.gz	ARKXYEDTRSOTOI-OAFDPHIXSA-N	-2	0	421.413	2.919	40	10		HFCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1Cl	ZINC000408989675	560662076	/nfs/dbraw/zinc/66/20/76/560662076.db2.gz	UZNPMUODVOGASZ-NVNXTCNLSA-N	-2	0	414.801	2.778	40	10		HFCBRL
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409188103	560688151	/nfs/dbraw/zinc/68/81/51/560688151.db2.gz	ALJIZBMQYRJPDT-NTEUORMPSA-N	-2	0	416.842	2.878	40	10		HFCBRL
CN(C)c1ccc(/C=C/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000409192780	560689655	/nfs/dbraw/zinc/68/96/55/560689655.db2.gz	AYRZAABRWQPEHC-FKKWJZCKSA-N	-2	0	421.478	2.838	40	10		HFCBRL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)o1	ZINC000409393331	560719428	/nfs/dbraw/zinc/71/94/28/560719428.db2.gz	QHCYDLQJPIVUBF-LFIBNONCSA-N	-2	0	403.350	2.706	40	10		HFCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1=O	ZINC000059679541	568710187	/nfs/dbraw/zinc/71/01/87/568710187.db2.gz	XCPSYOAEKUJGRT-LVLBFHFTSA-N	-2	0	408.410	2.767	40	10		HFCBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1O[C@H](C)C(=O)[O-]	ZINC000033728799	569360345	/nfs/dbraw/zinc/36/03/45/569360345.db2.gz	NJAWPCNWTSZVSN-ZEVOCZHWSA-N	-2	0	416.817	2.662	40	10		HFCBRL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	ZINC000012273948	569400031	/nfs/dbraw/zinc/40/00/31/569400031.db2.gz	ZFRTXQDLIHHPAF-QAZRXNLGSA-N	-2	0	420.262	2.561	40	10		HFCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000009259689	132337722	/nfs/dbraw/zinc/33/77/22/132337722.db2.gz	SHNJCESDUMUPLB-IGWPVBGESA-N	-2	0	424.409	2.604	40	10		HFCBRL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	ZINC000005374352	557648437	/nfs/dbraw/zinc/64/84/37/557648437.db2.gz	IXPGFCABLFXJAC-CHPNCVJKSA-N	-2	0	403.840	2.998	40	10		HFCBRL
CC(=O)Nc1nn(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])c(=S)s1	ZINC000005613372	557665145	/nfs/dbraw/zinc/66/51/45/557665145.db2.gz	LJWPMLSVICTMSW-UHFFFAOYSA-N	-2	0	400.290	2.882	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2ccc(C)cc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000102945783	559153669	/nfs/dbraw/zinc/15/36/69/559153669.db2.gz	BXNHLUPSDGPLCF-SMIQVMJNSA-N	-2	0	421.413	2.919	40	10		HFCBRL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OCC(=O)[O-])c2)C1=O	ZINC000409073080	560673616	/nfs/dbraw/zinc/67/36/16/560673616.db2.gz	UURTVKIIHWDSDE-NVNXTCNLSA-N	-2	0	414.801	2.778	40	10		HFCBRL
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)ccc21	ZINC000409188926	560688118	/nfs/dbraw/zinc/68/81/18/560688118.db2.gz	KQGRQPZHWIKBPB-VLURKWGBSA-N	-2	0	403.394	2.953	40	10		HFCBRL
COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000033547146	569360167	/nfs/dbraw/zinc/36/01/67/569360167.db2.gz	OWZPUNLECMJRTH-GPILYODUSA-N	-2	0	416.817	2.662	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2ccc(C)cc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000104315442	559160284	/nfs/dbraw/zinc/16/02/84/559160284.db2.gz	BXNHLUPSDGPLCF-QNBCRBJRSA-N	-2	0	421.413	2.919	40	10		HFCBRL
CCOc1ccc(N2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000408904886	560651760	/nfs/dbraw/zinc/65/17/60/560651760.db2.gz	PZRAQJMWMZGGGG-NTEUORMPSA-N	-2	0	413.411	2.530	40	10		HFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408911087	560653238	/nfs/dbraw/zinc/65/32/38/560653238.db2.gz	MVYOIAGNSRQGGN-AWNIVKPZSA-N	-2	0	415.333	2.505	40	10		HFCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(Br)cc3)C2=O)cc1	ZINC000408938399	560656405	/nfs/dbraw/zinc/65/64/05/560656405.db2.gz	QIPLMNLXWMNONE-NTEUORMPSA-N	-2	0	415.199	2.814	40	10		HFCBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000408964882	560658969	/nfs/dbraw/zinc/65/89/69/560658969.db2.gz	IFWZBPLVASYHBR-LDADJPATSA-N	-2	0	419.368	2.981	40	10		HFCBRL
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2O[C@@H](C)C(=O)[O-])C(=O)[N-]C1=S	ZINC000409191377	560689357	/nfs/dbraw/zinc/68/93/57/560689357.db2.gz	GEAYXOQFTWHUBJ-JMRXEAOASA-N	-2	0	410.451	2.678	40	10		HFCBRL
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408723404	557774514	/nfs/dbraw/zinc/77/45/14/557774514.db2.gz	UBNDLXSAJHZPTD-WUXMJOGZSA-N	-2	0	403.803	2.785	40	10		HFCBRL
CCN(CC)c1ccc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000015034700	558703696	/nfs/dbraw/zinc/70/36/96/558703696.db2.gz	PBJGUQKNXMRPDS-CKXDQPNJSA-N	-2	0	408.501	2.662	40	10		HFCBRL
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000035189285	558789127	/nfs/dbraw/zinc/78/91/27/558789127.db2.gz	JFXCXRQKZHPBON-GHXNOFRVSA-N	-2	0	404.176	2.524	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2cccc(C)c2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000102945134	559153721	/nfs/dbraw/zinc/15/37/21/559153721.db2.gz	ZIJIGENUTDZKSV-SMIQVMJNSA-N	-2	0	421.413	2.919	40	10		HFCBRL
CCc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409188954	560688235	/nfs/dbraw/zinc/68/82/35/560688235.db2.gz	LJFSJCGWYLFGEI-VLURKWGBSA-N	-2	0	424.478	2.932	40	10		HFCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409191259	560689382	/nfs/dbraw/zinc/68/93/82/560689382.db2.gz	FNSHPPWWYDZJJL-XDUBLRSXSA-N	-2	0	410.451	2.678	40	10		HFCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2O[C@H](C)C(=O)[O-])C1=O	ZINC000409192231	560689477	/nfs/dbraw/zinc/68/94/77/560689477.db2.gz	ACBPBVYNDYGEMC-MLDYKZIASA-N	-2	0	408.410	2.767	40	10		HFCBRL
O=C([O-])c1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1	ZINC000009265224	132338010	/nfs/dbraw/zinc/33/80/10/132338010.db2.gz	BZVOQMSIFSAKGM-PDGQHHTCSA-N	-2	0	419.368	2.981	40	10		HFCBRL
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)ccc21	ZINC000409188925	560688114	/nfs/dbraw/zinc/68/81/14/560688114.db2.gz	KQGRQPZHWIKBPB-LVLBFHFTSA-N	-2	0	403.394	2.953	40	10		HFCBRL
C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O)C(=O)[O-]	ZINC000409191522	560689361	/nfs/dbraw/zinc/68/93/61/560689361.db2.gz	YCYAIQFQISEZHK-CDDSVFCYSA-N	-2	0	414.414	2.509	40	10		HFCBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1	ZINC000409230972	560700320	/nfs/dbraw/zinc/70/03/20/560700320.db2.gz	HJGUAKVHJJKGPG-FOWTUZBSSA-N	-2	0	419.368	2.981	40	10		HFCBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000033728797	569360364	/nfs/dbraw/zinc/36/03/64/569360364.db2.gz	NJAWPCNWTSZVSN-KSSSLANASA-N	-2	0	416.817	2.662	40	10		HFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409016723	560666618	/nfs/dbraw/zinc/66/66/18/560666618.db2.gz	VMPYWUFAKHLKOP-RKPNYOAGSA-N	-2	0	424.409	2.522	40	10		HFCBRL
Cc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)c1	ZINC000409190473	560689199	/nfs/dbraw/zinc/68/91/99/560689199.db2.gz	OETNHJMXVKTQHC-XDUBLRSXSA-N	-2	0	410.451	2.678	40	10		HFCBRL
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000108034566	569361185	/nfs/dbraw/zinc/36/11/85/569361185.db2.gz	HPBQGEBFMBPODW-GHXNOFRVSA-N	-2	0	404.176	2.524	40	10		HFCBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000408847656	560646631	/nfs/dbraw/zinc/64/66/31/560646631.db2.gz	NWNGCJLEKCUSOM-WUXMJOGZSA-N	-2	0	405.725	2.759	40	10		HFCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)cc1	ZINC000408859727	560648029	/nfs/dbraw/zinc/64/80/29/560648029.db2.gz	YOOLRWMIHWWKMO-RNEAKCBISA-N	-2	0	424.409	2.604	40	10		HFCBRL
CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1[O-]	ZINC000408915510	560654137	/nfs/dbraw/zinc/65/41/37/560654137.db2.gz	WPEMJAVBNYXXEA-VGOFMYFVSA-N	-2	0	415.333	2.505	40	10		HFCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)cc1Cl	ZINC000408992475	560662416	/nfs/dbraw/zinc/66/24/16/560662416.db2.gz	SVYRPEVBWJMDAA-ZSOIEALJSA-N	-2	0	414.801	2.778	40	10		HFCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000409192221	560689544	/nfs/dbraw/zinc/68/95/44/560689544.db2.gz	AAZQQHODILKBDK-LVLBFHFTSA-N	-2	0	408.410	2.767	40	10		HFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409236227	560699097	/nfs/dbraw/zinc/69/90/97/560699097.db2.gz	FDJFIHNRRYRAQS-XDUBLRSXSA-N	-2	0	424.409	2.522	40	10		HFCBRL
O=c1ccc2c(-c3ccccc3S(=O)(=O)[O-])c3ccc([O-])c(O)c3oc-2c1O	ZINC000003861600	568927895	/nfs/dbraw/zinc/92/78/95/568927895.db2.gz	JTZKNOUMMWIARI-UHFFFAOYSA-N	-2	0	400.364	2.928	40	10		HFCBRL
COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000033547147	569360154	/nfs/dbraw/zinc/36/01/54/569360154.db2.gz	OWZPUNLECMJRTH-ZRRZQRFHSA-N	-2	0	416.817	2.662	40	10		HFCBRL
COCc1c(O)cc(C)c(C(=O)OC)c1Oc1c(C)c2c(c(O)c1O)C(=O)OC2	ZINC000031163398	291222315	/nfs/dbraw/zinc/22/23/15/291222315.db2.gz	PDYOVCZPTAOFNW-UHFFFAOYSA-N	-2	0	404.371	2.816	40	10	biogenic,in-vitro	HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2ccccc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000102941271	559153681	/nfs/dbraw/zinc/15/36/81/559153681.db2.gz	MVQTXYTUVHSXSU-KGNHYALCSA-N	-2	0	407.386	2.611	40	10		HFCBRL
Cc1[n-]n(C(=O)CC(=O)Nc2cccc(C)c2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000102945131	559153694	/nfs/dbraw/zinc/15/36/94/559153694.db2.gz	ZIJIGENUTDZKSV-FYTMPNSFSA-N	-2	0	421.413	2.919	40	10		HFCBRL
C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1)C(=O)[O-]	ZINC000408847849	560646627	/nfs/dbraw/zinc/64/66/27/560646627.db2.gz	VZKALSGPMNMFGJ-YAFRSCOQSA-N	-2	0	414.801	2.858	40	10		HFCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000408981794	560661006	/nfs/dbraw/zinc/66/10/06/560661006.db2.gz	BYPLPPOUKOVLRN-ZSOIEALJSA-N	-2	0	411.370	2.538	40	10		HFCBRL
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000409191131	560689234	/nfs/dbraw/zinc/68/92/34/560689234.db2.gz	SWRNFBZMTVJFDT-MDWZMJQESA-N	-2	0	416.842	2.878	40	10		HFCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409191258	560689375	/nfs/dbraw/zinc/68/93/75/560689375.db2.gz	FNSHPPWWYDZJJL-KWWJGWKXSA-N	-2	0	410.451	2.678	40	10		HFCBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)c1C	ZINC000409193647	560689861	/nfs/dbraw/zinc/68/98/61/560689861.db2.gz	KGUAVLXMNLOKHS-DSQDWWTGSA-N	-2	0	408.410	2.822	40	10		HFCBRL
O=C([O-])COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1	ZINC000409337952	560712405	/nfs/dbraw/zinc/71/24/05/560712405.db2.gz	AEQJZHXNJXQWSU-MDWZMJQESA-N	-2	0	420.493	2.758	40	10		HFCBRL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Cl)c2)C1=O	ZINC000059678603	568709839	/nfs/dbraw/zinc/70/98/39/568709839.db2.gz	HMCALRHVYBAJAE-MDWZMJQESA-N	-2	0	414.801	2.778	40	10		HFCBRL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000408850925	560647306	/nfs/dbraw/zinc/64/73/06/560647306.db2.gz	GKRVFSPOQDGICR-UXBLZVDNSA-N	-2	0	421.793	2.924	40	10		HFCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1C	ZINC000409189247	560687941	/nfs/dbraw/zinc/68/79/41/560687941.db2.gz	NUYFRRVMWZAQFR-SWEABUAFSA-N	-2	0	424.478	2.987	40	10		HFCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)c(C)c1	ZINC000409189137	560688817	/nfs/dbraw/zinc/68/88/17/560688817.db2.gz	DFQHLGZAUMCUGO-DSQDWWTGSA-N	-2	0	424.478	2.987	40	10		HFCBRL
Cc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)c1	ZINC000409190472	560689138	/nfs/dbraw/zinc/68/91/38/560689138.db2.gz	OETNHJMXVKTQHC-KWWJGWKXSA-N	-2	0	410.451	2.678	40	10		HFCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409195704	560690366	/nfs/dbraw/zinc/69/03/66/560690366.db2.gz	VMYARUMJADKRRO-PVZSTHCMSA-N	-2	0	423.406	2.681	40	10		HFCBRL
CN1CCCc2cc(/C=C3\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)ccc21	ZINC000054360859	569072301	/nfs/dbraw/zinc/07/23/01/569072301.db2.gz	SWSKJKLOAIPAAH-QTNMRXCUSA-N	-2	0	420.512	2.588	40	10		HFCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000409190106	560689173	/nfs/dbraw/zinc/68/91/73/560689173.db2.gz	KTTQKOMNRJRQOK-KPKJPENVSA-N	-2	0	402.815	2.575	40	10		HFCBRL
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2O[C@H](C)C(=O)[O-])C(=O)[N-]C1=S	ZINC000409191378	560689391	/nfs/dbraw/zinc/68/93/91/560689391.db2.gz	GEAYXOQFTWHUBJ-WDGDVPDHSA-N	-2	0	410.451	2.678	40	10		HFCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2O[C@@H](C)C(=O)[O-])C1=O	ZINC000409192229	560689527	/nfs/dbraw/zinc/68/95/27/560689527.db2.gz	ACBPBVYNDYGEMC-HKJJFUAXSA-N	-2	0	408.410	2.767	40	10		HFCBRL
O=C([N-]N1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S)c1cccs1	ZINC000409326327	560710896	/nfs/dbraw/zinc/71/08/96/560710896.db2.gz	AHBBQJHEJZRLTJ-KPKJPENVSA-N	-2	0	407.454	2.908	40	10		HFCBRL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCC(=O)[O-])C1=O	ZINC000409039295	560668672	/nfs/dbraw/zinc/66/86/72/560668672.db2.gz	CHEREVQHGPTCGL-RIYZIHGNSA-N	-2	0	414.801	2.778	40	10		HFCBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	ZINC000409057093	560670492	/nfs/dbraw/zinc/67/04/92/560670492.db2.gz	OXQRDZWLJGRASK-NTUHNPAUSA-N	-2	0	418.764	2.609	40	10		HFCBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)c1C	ZINC000409193649	560689875	/nfs/dbraw/zinc/68/98/75/560689875.db2.gz	KGUAVLXMNLOKHS-LUYJPIOASA-N	-2	0	408.410	2.822	40	10		HFCBRL
C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)C(=O)[O-]	ZINC000409196342	560690448	/nfs/dbraw/zinc/69/04/48/560690448.db2.gz	ZDSHLCFSVMAWIH-ZRRZQRFHSA-N	-2	0	414.801	2.858	40	10		HFCBRL