smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(=O)[O-])ccc1NC=CC(=O)c1ccc(F)cc1	ZINC000409171574	230412558	/nfs/dbraw/zinc/41/25/58/230412558.db2.gz	AAISVIRNZBKDIS-CMDGGOBGSA-N	-1	0	299.301	3.641	40	30		CHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccc(Cl)cc2)c1	ZINC000083328279	178381023	/nfs/dbraw/zinc/38/10/23/178381023.db2.gz	SJWJEXXYMFEKIG-NVNXTCNLSA-N	-1	0	276.679	3.704	40	30		CHEBRM
Cc1c(/N=C/c2ccc(N3CCCC3)o2)cccc1C(=O)[O-]	ZINC000059138627	262386755	/nfs/dbraw/zinc/38/67/55/262386755.db2.gz	OJCJHUIEFSKFDY-WOJGMQOQSA-N	-1	0	298.342	3.637	40	30		CHEBRM
COc1ccc(/C=N/c2ccc(C)cc2C)cc1C(=O)[O-]	ZINC000100287183	518143353	/nfs/dbraw/zinc/14/33/53/518143353.db2.gz	AXJDGYRHPZJRKK-VCHYOVAHSA-N	-1	0	283.327	3.761	40	30		CHEBRM
O=[N+]([O-])c1cc(/C=N/c2ccc(F)c(Cl)c2)ccc1[O-]	ZINC000408903930	567933573	/nfs/dbraw/zinc/93/35/73/567933573.db2.gz	BIZDJCAYJKPUER-FRKPEAEDSA-N	-1	0	294.669	3.844	40	30		CHEBRM
Cc1ccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000408963047	567933741	/nfs/dbraw/zinc/93/37/41/567933741.db2.gz	LWZRRLFIPPLZMM-SXGWCWSVSA-N	-1	0	270.288	3.668	40	30		CHEBRM
Cc1cc(NC=CC(=O)c2cccs2)ccc1C(=O)[O-]	ZINC000409353653	567935107	/nfs/dbraw/zinc/93/51/07/567935107.db2.gz	PCYINKUOHJKLPB-VOTSOKGWSA-N	-1	0	287.340	3.563	40	30		CHEBRM
CCCCCCCCCCCC[C@H](NC(C)=O)C(=O)[O-]	ZINC000100303394	567935793	/nfs/dbraw/zinc/93/57/93/567935793.db2.gz	UNPKYTNUABIHLJ-HNNXBMFYSA-N	-1	0	285.428	3.887	40	30		CHEBRM
[O-]/N=C\c1cc(Cl)ccc1OCc1ccccc1F	ZINC000100250097	230391745	/nfs/dbraw/zinc/39/17/45/230391745.db2.gz	KEKBECBIDVNXRO-IUXPMGMMSA-N	-1	0	279.698	3.866	40	30		CHEBRM
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2=CNc1ccccc1C(=O)[O-]	ZINC000100364406	185713403	/nfs/dbraw/zinc/71/34/03/185713403.db2.gz	HQZFNBAHDOKMNO-YHWQZAKVSA-N	-1	0	299.370	3.706	40	30		CHEBRM
Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N/[O-])o2)cc1Cl	ZINC000070461524	566865007	/nfs/dbraw/zinc/86/50/07/566865007.db2.gz	YYGZCFLRNGCDSN-MKMNVTDBSA-N	-1	0	280.667	3.625	40	30		CHEBRM
Cc1c(/C=N\c2ccc(C(=O)[O-])cc2)c2ccccc2n1C	ZINC000408853507	567933126	/nfs/dbraw/zinc/93/31/26/567933126.db2.gz	OWLBQPFVSYPCDC-ODLFYWEKSA-N	-1	0	292.338	3.936	40	30		CHEBRM
Cc1cccc(/N=C\c2cccc(OCC(=O)[O-])c2)c1C	ZINC000409212916	567934598	/nfs/dbraw/zinc/93/45/98/567934598.db2.gz	NJIRUOUIALZKSZ-ZDLGFXPLSA-N	-1	0	283.327	3.517	40	30		CHEBRM
CCCCCCCC(=O)Oc1ccccc1C(=O)[O-]	ZINC000085482774	260375301	/nfs/dbraw/zinc/37/53/01/260375301.db2.gz	LKLYETYHDMXRAF-UHFFFAOYSA-N	-1	0	264.321	3.651	40	30		CHEBRM
Cc1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1C	ZINC000059250138	262387712	/nfs/dbraw/zinc/38/77/12/262387712.db2.gz	MPZUFHCOISDTJN-YRIIZNAFSA-N	-1	0	297.354	3.906	40	30		CHEBRM
O=[N+]([O-])c1cccc(/C=N\c2cccc(Cl)c2[O-])c1	ZINC000104099427	567915884	/nfs/dbraw/zinc/91/58/84/567915884.db2.gz	YSWSOBKWPAGWGV-NVNXTCNLSA-N	-1	0	276.679	3.704	40	30		CHEBRM
COc1ccc(/C=N/c2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC000017004724	570226355	/nfs/dbraw/zinc/22/63/55/570226355.db2.gz	UIELBEHBZKVMEI-INVULMLHSA-N	-1	0	281.311	3.544	40	30		CHEBRM
Cc1ccc(C)c(/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000083316952	178380608	/nfs/dbraw/zinc/38/06/08/178380608.db2.gz	SSADERBYVNYBEK-SXGWCWSVSA-N	-1	0	270.288	3.668	40	30		CHEBRM
COc1ccc(/C=N\c2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC000100013332	256840321	/nfs/dbraw/zinc/84/03/21/256840321.db2.gz	UIELBEHBZKVMEI-VSIFMREISA-N	-1	0	281.311	3.544	40	30		CHEBRM
CCOc1ccccc1/C=N/c1ccc(C(=O)[O-])cc1	ZINC000000571063	169670489	/nfs/dbraw/zinc/67/04/89/169670489.db2.gz	VJXJABFGOQWSQI-GZTJUZNOSA-N	-1	0	269.300	3.534	40	30		CHEBRM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccccc1	ZINC000001242838	169692445	/nfs/dbraw/zinc/69/24/45/169692445.db2.gz	GVAFEYZTHREACJ-WJDWOHSUSA-N	-1	0	286.404	3.871	40	30		CHEBRM
COc1cccc(/C=N/[O-])c1OCc1ccc(Cl)cc1	ZINC000103851228	533390267	/nfs/dbraw/zinc/39/02/67/533390267.db2.gz	BADAWWJXNXIIOF-RQZCQDPDSA-N	-1	0	291.734	3.736	40	30		CHEBRM
O=C(/C=C/c1ccc(O)cc1)c1cc(Cl)ccc1[O-]	ZINC000005886205	170150420	/nfs/dbraw/zinc/15/04/20/170150420.db2.gz	KXLQQFWERKUYLC-XVNBXDOJSA-N	-1	0	274.703	3.647	40	30		CHEBRM
Cc1cccc(/N=C/c2ccccc2OCC(=O)[O-])c1C	ZINC000409203910	261149103	/nfs/dbraw/zinc/14/91/03/261149103.db2.gz	ZVFCRSKVIVAWLH-VCHYOVAHSA-N	-1	0	283.327	3.517	40	30		CHEBRM
COc1ccc(/C=N/c2cccc(C)c2C)cc1C(=O)[O-]	ZINC000100287178	567935647	/nfs/dbraw/zinc/93/56/47/567935647.db2.gz	OREWGZMMGPWJLG-VCHYOVAHSA-N	-1	0	283.327	3.761	40	30		CHEBRM
CC[C@H]1[C@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]2CC[C@@]1(C)C(=O)[O-]	ZINC000006224909	570216522	/nfs/dbraw/zinc/21/65/22/570216522.db2.gz	XTYLGTOMVGQDQC-IQWQSGHPSA-N	-1	0	290.403	3.829	40	30		CHEBRM
Cc1ccccc1/N=C\c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000408855657	534794454	/nfs/dbraw/zinc/79/44/54/534794454.db2.gz	FTXWGJJFAQFEBQ-NCUBORBFSA-N	-1	0	283.327	3.598	40	30		CHEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)cc(C)c1O	ZINC000107986513	567095060	/nfs/dbraw/zinc/09/50/60/567095060.db2.gz	RRVGVAGTRJUXPJ-GIJQJNRQSA-N	-1	0	283.327	3.766	40	30		CHEBRM
Cc1cc2c(c(C)c1)C(=O)/C(=C\c1ccccc1C(=O)[O-])C2	ZINC000001647206	567840107	/nfs/dbraw/zinc/84/01/07/567840107.db2.gz	WYTDNAJKPRSREL-DHDCSXOGSA-N	-1	0	292.334	3.824	40	30		CHEBRM
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=CNc1ccccc1C(=O)[O-]	ZINC000013405125	567866110	/nfs/dbraw/zinc/86/61/10/567866110.db2.gz	HQZFNBAHDOKMNO-XDJPHSJXSA-N	-1	0	299.370	3.706	40	30		CHEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\N=C/c1ccco1	ZINC000016919316	567874338	/nfs/dbraw/zinc/87/43/38/567874338.db2.gz	RVHIWLKGFPLUOB-JYNHMFOOSA-N	-1	0	283.114	3.745	40	30		CHEBRM
Cc1ccc(C(=O)[O-])cc1/N=C\c1ccc(N2CCCC2)o1	ZINC000408853031	567933117	/nfs/dbraw/zinc/93/31/17/567933117.db2.gz	KQFKVAQTLHDMQK-WQRHYEAKSA-N	-1	0	298.342	3.637	40	30		CHEBRM
Cc1ccc(/N=C/c2ccccc2OCC(=O)[O-])cc1C	ZINC000409212406	567934721	/nfs/dbraw/zinc/93/47/21/567934721.db2.gz	MALCMUUPEIRHJY-VCHYOVAHSA-N	-1	0	283.327	3.517	40	30		CHEBRM
CC=C(CC)[C@H](C)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000004963512	170046014	/nfs/dbraw/zinc/04/60/14/170046014.db2.gz	LNUNROVIWVNASP-KRPLZJQNSA-N	-1	0	270.328	3.870	40	30		CHEBRM
C[C@@]1(C(=O)[O-])CCC[C@]2(C)C3=CC(=O)CCC3=CC[C@@H]12	ZINC000005004467	170053604	/nfs/dbraw/zinc/05/36/04/170053604.db2.gz	GGTHDIPRPUXPMX-DJIMGWMZSA-N	-1	0	274.360	3.503	40	30		CHEBRM
Cc1cc2c(c(C)c1)C(=O)/C(=C/c1ccccc1C(=O)[O-])C2	ZINC000005541020	170110850	/nfs/dbraw/zinc/11/08/50/170110850.db2.gz	WYTDNAJKPRSREL-OQLLNIDSSA-N	-1	0	292.334	3.824	40	30		CHEBRM
O=C1c2ccccc2C([O-])=C1c1nc2ccccc2s1	ZINC000004257553	326810571	/nfs/dbraw/zinc/81/05/71/326810571.db2.gz	DQSAUGZXTDZDTL-UHFFFAOYSA-N	-1	0	279.320	3.919	40	30		CHEBRM
Cc1cccc(/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)c1	ZINC000408851372	534579825	/nfs/dbraw/zinc/57/98/25/534579825.db2.gz	YDOINQQWZKGWDB-NCUBORBFSA-N	-1	0	283.327	3.598	40	30		CHEBRM
N#Cc1c(NC(=O)c2ccccc2[O-])sc2ccccc12	ZINC000059483649	567193147	/nfs/dbraw/zinc/19/31/47/567193147.db2.gz	MRLACSHBJKOXOK-UHFFFAOYSA-N	-1	0	294.335	3.731	40	30		CHEBRM
CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(C)c1	ZINC000408739727	567861011	/nfs/dbraw/zinc/86/10/11/567861011.db2.gz	DXYYSBVGZWDEOZ-DAQNXSASSA-N	-1	0	291.354	3.736	40	30		CHEBRM
CCc1ccc(C(=O)C=CNc2ccc(C(=O)[O-])cc2)cc1	ZINC000016161453	567872179	/nfs/dbraw/zinc/87/21/79/567872179.db2.gz	VIDOTUHMAPQVEY-QXMHVHEDSA-N	-1	0	295.338	3.756	40	30		CHEBRM
O=C([O-])c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1	ZINC000408960840	567933636	/nfs/dbraw/zinc/93/36/36/567933636.db2.gz	OQERRRDWXGVIKN-CPNJWEJPSA-N	-1	0	294.354	3.736	40	30		CHEBRM
O=C([O-])c1ccccc1/N=C/c1ccc2ccccc2c1O	ZINC000409181404	567934894	/nfs/dbraw/zinc/93/48/94/567934894.db2.gz	CLXJOAOIXQZEJD-YBFXNURJSA-N	-1	0	291.306	3.994	40	30		CHEBRM
[O-]/N=C(\Cc1ccccc1)c1nc2ccccc2s1	ZINC000005681960	567946938	/nfs/dbraw/zinc/94/69/38/567946938.db2.gz	HNHGEGUJDAHXJO-GHRIWEEISA-N	-1	0	268.341	3.717	40	30		CHEBRM
C=C(/C=C/[C@@H](CCC(C)=O)C(C)C)CCC(=O)[O-]	ZINC000952844769	1132015722	/nfs/dbraw/zinc/01/57/22/1132015722.db2.gz	YHPXMAOELHYYDQ-GPAKFWEMSA-N	-1	0	252.354	3.605	40	30	biogenic,in-vitro	CHEBRM
Cc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1C	ZINC000059250140	262387463	/nfs/dbraw/zinc/38/74/63/262387463.db2.gz	MPZUFHCOISDTJN-HIPSJFSSSA-N	-1	0	297.354	3.906	40	30		CHEBRM
C=CCSc1c(Cl)cc(Cl)cc1C(=O)[O-]	ZINC000001653874	566903079	/nfs/dbraw/zinc/90/30/79/566903079.db2.gz	VUPPSZDJLBCZHY-UHFFFAOYSA-N	-1	0	263.145	3.970	40	30		CHEBRM
O=C([O-])c1cccc(/N=C/c2ccc(N3CCCC3)cc2)c1	ZINC000143853965	567094771	/nfs/dbraw/zinc/09/47/71/567094771.db2.gz	FOJOSLNTQMSHGI-CPNJWEJPSA-N	-1	0	294.354	3.736	40	30		CHEBRM
CCc1ccc(C(=O)C=CNc2ccccc2C(=O)[O-])cc1	ZINC000033663492	567095413	/nfs/dbraw/zinc/09/54/13/567095413.db2.gz	KGFKUJIYMRTUDW-VAWYXSNFSA-N	-1	0	295.338	3.756	40	30		CHEBRM
O=C([O-])c1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F	ZINC000001673811	567840920	/nfs/dbraw/zinc/84/09/20/567840920.db2.gz	DWUHIISBZOBNMI-UHFFFAOYSA-N	-1	0	298.113	3.512	40	30		CHEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\N=C\c1ccco1	ZINC000104098919	567915931	/nfs/dbraw/zinc/91/59/31/567915931.db2.gz	RVHIWLKGFPLUOB-NFKAIRTRSA-N	-1	0	283.114	3.745	40	30		CHEBRM
Cc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000001455422	567931502	/nfs/dbraw/zinc/93/15/02/567931502.db2.gz	DYVNDNGSWTXBSD-BOPFTXTBSA-N	-1	0	294.383	3.798	40	30		CHEBRM
Cc1ccc(/N=C\c2cccc(OCC(=O)[O-])c2)c(C)c1	ZINC000409209186	567934635	/nfs/dbraw/zinc/93/46/35/567934635.db2.gz	HPBRPRCORNHQRU-ZDLGFXPLSA-N	-1	0	283.327	3.517	40	30		CHEBRM
COc1ccc(/C=N/c2ccc(C)c(C)c2)cc1C(=O)[O-]	ZINC000059485019	567956270	/nfs/dbraw/zinc/95/62/70/567956270.db2.gz	JBARLMFIZGSGHL-VCHYOVAHSA-N	-1	0	283.327	3.761	40	30		CHEBRM
CCCCCCCCCC[C@@H](C)S(=O)(=O)[O-]	ZINC000078205875	1120371981	/nfs/dbraw/zinc/37/19/81/1120371981.db2.gz	RXMSRCHTOURIQX-GFCCVEGCSA-N	-1	0	250.404	3.794	40	30		CHEBRM
O=C([O-])COc1ccc(Cl)cc1/C=N/c1ccccc1	ZINC000409216533	230413047	/nfs/dbraw/zinc/41/30/47/230413047.db2.gz	JBEADXXEXIOPRC-RQZCQDPDSA-N	-1	0	289.718	3.554	40	30		CHEBRM
C[C@@]12CCC[C@](C)(C(=O)[O-])[C@@H]1CC=C1CCC(=O)C=C12	ZINC000005004469	170053874	/nfs/dbraw/zinc/05/38/74/170053874.db2.gz	GGTHDIPRPUXPMX-PVAVHDDUSA-N	-1	0	274.360	3.503	40	30		CHEBRM
CCCCCC/C(=N/OCc1ccccc1)C(=O)[O-]	ZINC000016969556	528113818	/nfs/dbraw/zinc/11/38/18/528113818.db2.gz	TVRKKLMIINVXNE-PEZBUJJGSA-N	-1	0	263.337	3.614	40	30		CHEBRM
O=C([O-])C(Cl)=C(Cl)C=NNc1ccccc1Cl	ZINC000101572804	566877656	/nfs/dbraw/zinc/87/76/56/566877656.db2.gz	IZLZMYLYUUHKTH-MHNJQMHASA-N	-1	0	293.537	3.512	40	30		CHEBRM
C=CCOc1c(CCC)cc(C(=O)[O-])cc1CCC	ZINC000001655389	566902965	/nfs/dbraw/zinc/90/29/65/566902965.db2.gz	UMPMTSRYGHCQAK-UHFFFAOYSA-N	-1	0	262.349	3.855	40	30		CHEBRM
O=C(/C=C/c1c[nH]c2ccccc12)c1ccccc1[O-]	ZINC000016952670	567874333	/nfs/dbraw/zinc/87/43/33/567874333.db2.gz	BNYXDAPVMGMJTA-MDZDMXLPSA-N	-1	0	263.296	3.770	40	30		CHEBRM
C=CCc1cc(/C=N\c2ccccc2O)cc(OCC)c1O	ZINC000408827983	567933172	/nfs/dbraw/zinc/93/31/72/567933172.db2.gz	VMNWVNJIFRIJDA-UNOMPAQXSA-N	-1	0	297.354	3.976	40	30		CHEBRM
CCc1ccc(/N=C/c2ccc(OC)c(C(=O)[O-])c2)cc1	ZINC000100160589	567935599	/nfs/dbraw/zinc/93/55/99/567935599.db2.gz	BRGGTOLCPYVJOS-WOJGMQOQSA-N	-1	0	283.327	3.706	40	30		CHEBRM
CC(C)c1n[n-]c(=S)n1N=Cc1c(F)cccc1Cl	ZINC000005841833	170146091	/nfs/dbraw/zinc/14/60/91/170146091.db2.gz	URRNWLVSRXNDGU-GIDUJCDVSA-N	-1	0	298.774	3.739	40	30		CHEBRM
O=C1c2ccccc2C(=O)C(c2cccc(Cl)c2)=C1[O-]	ZINC000100686080	567095903	/nfs/dbraw/zinc/09/59/03/567095903.db2.gz	SJLDSGVWXBEYDP-UHFFFAOYSA-N	-1	0	284.698	3.688	40	30		CHEBRM
O=[N+]([O-])c1cc(/C=N\c2ccc(Cl)cc2)ccc1[O-]	ZINC000408904993	567933687	/nfs/dbraw/zinc/93/36/87/567933687.db2.gz	RQQHJVQCNKLCER-NVNXTCNLSA-N	-1	0	276.679	3.704	40	30		CHEBRM
CC[C@@H]1[C@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]2CC[C@@]1(C)C(=O)[O-]	ZINC000006224462	570216556	/nfs/dbraw/zinc/21/65/56/570216556.db2.gz	XTYLGTOMVGQDQC-YXISZKLHSA-N	-1	0	290.403	3.829	40	30		CHEBRM
C=CCn1c(CSCc2ccccc2)n[nH]c1=S	ZINC000005817017	570265523	/nfs/dbraw/zinc/26/55/23/570265523.db2.gz	MUVOMIBJVNXDJO-UHFFFAOYSA-N	-1	0	277.418	3.560	40	30		CHEBRM
O=C1c2ccccc2S/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000033292953	570315731	/nfs/dbraw/zinc/31/57/31/570315731.db2.gz	RWEYFEARYCGCLM-MDWZMJQESA-N	-1	0	299.307	3.630	40	30		CHEBRM
CCOc1ccc(/N=C/c2ccc(OC)c(C(=O)[O-])c2)cc1	ZINC000100242770	185709818	/nfs/dbraw/zinc/70/98/18/185709818.db2.gz	BXEKQAKJLWMIHS-WOJGMQOQSA-N	-1	0	299.326	3.543	40	30		CHEBRM
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)C3=CC(=O)CCC3=CC[C@@H]12	ZINC000005004466	170053859	/nfs/dbraw/zinc/05/38/59/170053859.db2.gz	GGTHDIPRPUXPMX-HYVNUMGLSA-N	-1	0	274.360	3.503	40	30		CHEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(N2CCCC2)o1	ZINC000059138688	262386895	/nfs/dbraw/zinc/38/68/95/262386895.db2.gz	NMLPBTWHOALXOI-WOJGMQOQSA-N	-1	0	298.342	3.637	40	30		CHEBRM
Cc1cc(/C=N/c2cc(C(=O)[O-])ccc2Cl)c(C)n1C	ZINC000408784434	534017264	/nfs/dbraw/zinc/01/72/64/534017264.db2.gz	REODZJVLIMKWHI-CAOOACKPSA-N	-1	0	290.750	3.744	40	30		CHEBRM
O=C(C=C([O-])c1ccc(Cl)cc1)c1cccnc1	ZINC000103712972	566957573	/nfs/dbraw/zinc/95/75/73/566957573.db2.gz	VNIZMOICVQYGPJ-ZSOIEALJSA-N	-1	0	259.692	3.517	40	30		CHEBRM
O=C([O-])c1ccc(/N=C\c2ccc(Cl)cc2)cc1	ZINC000015772252	567871546	/nfs/dbraw/zinc/87/15/46/567871546.db2.gz	XTGYZPWVGUMIHQ-SXGWCWSVSA-N	-1	0	259.692	3.789	40	30		CHEBRM
O=C([O-])c1cc(/N=C\c2ccc(Cl)s2)ccc1O	ZINC000015227114	567943774	/nfs/dbraw/zinc/94/37/74/567943774.db2.gz	ABANMHNZSHNCDW-NSIKDUERSA-N	-1	0	281.720	3.556	40	30		CHEBRM
C=CCc1cc(C(=O)[O-])cc(OC)c1OCc1ccccc1	ZINC000216882873	570347074	/nfs/dbraw/zinc/34/70/74/570347074.db2.gz	PIXYOPTURHZNSC-UHFFFAOYSA-N	-1	0	298.338	3.701	40	30		CHEBRM
Cc1ccc(C)c(/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)c1	ZINC000408860238	230410378	/nfs/dbraw/zinc/41/03/78/230410378.db2.gz	ZBWKTXUGBXBLRH-AXLWCPOOSA-N	-1	0	297.354	3.906	40	30		CHEBRM
[O-]/N=C\c1cc(Cl)ccc1OCc1cccc(F)c1	ZINC000100250093	230391826	/nfs/dbraw/zinc/39/18/26/230391826.db2.gz	LTDICTHBQNQUAP-IUXPMGMMSA-N	-1	0	279.698	3.866	40	30		CHEBRM
CCc1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000408905606	529588923	/nfs/dbraw/zinc/58/89/23/529588923.db2.gz	ZUTNVEKUNHHMGI-MHWRWJLKSA-N	-1	0	270.288	3.613	40	30		CHEBRM
Cc1cc(C)c(CSC(=S)[N-]C#N)c(C)c1	ZINC000015441974	170667024	/nfs/dbraw/zinc/66/70/24/170667024.db2.gz	FFSNTVUNPFUHNX-UHFFFAOYSA-N	-1	0	250.392	3.612	40	30		CHEBRM
[S-]c1ccccc1/N=C/c1ccc(N2CCCC2)o1	ZINC000059138653	262386817	/nfs/dbraw/zinc/38/68/17/262386817.db2.gz	GLIVEGNAOLUIDV-LFIBNONCSA-N	-1	0	272.373	3.919	40	30		CHEBRM
CCCCCCCCCC(=O)NCCCCCC(=O)[O-]	ZINC000097997852	528122342	/nfs/dbraw/zinc/12/23/42/528122342.db2.gz	YBIBDFKVNLYIKB-UHFFFAOYSA-N	-1	0	285.428	3.888	40	30		CHEBRM
CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(C)c1	ZINC000408739728	567860954	/nfs/dbraw/zinc/86/09/54/567860954.db2.gz	DXYYSBVGZWDEOZ-MIQLPHMESA-N	-1	0	291.354	3.736	40	30		CHEBRM
Cc1ccc(C)c(/N=C\c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000409064597	567934090	/nfs/dbraw/zinc/93/40/90/567934090.db2.gz	HURMBUORMJOBHR-SXGWCWSVSA-N	-1	0	270.288	3.668	40	30		CHEBRM
O=C(C=CNc1ccccc1[S-])c1cccs1	ZINC000409353390	567935201	/nfs/dbraw/zinc/93/52/01/567935201.db2.gz	KASBFCNJEORVAC-BQYQJAHWSA-N	-1	0	261.371	3.845	40	30		CHEBRM
Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])c(C)c1	ZINC000083309088	178380289	/nfs/dbraw/zinc/38/02/89/178380289.db2.gz	SPZHPDCPKBHYIR-SXGWCWSVSA-N	-1	0	270.288	3.668	40	30		CHEBRM
COc1ccc(C(=O)/C=C\c2c[nH]c3ccccc23)c([O-])c1	ZINC000005767139	170138642	/nfs/dbraw/zinc/13/86/42/170138642.db2.gz	FBEVRNKVAMTEHP-TWGQIWQCSA-N	-1	0	293.322	3.778	40	30		CHEBRM
Cc1cc(/N=C/c2cc([N+](=O)[O-])c3ccccc3c2[O-])no1	ZINC000038163507	174135167	/nfs/dbraw/zinc/13/51/67/174135167.db2.gz	KVHUPSGYXSNKQZ-LZYBPNLTSA-N	-1	0	297.270	3.501	40	30		CHEBRM
CCn1c(C)cc(/C=N/c2ccc(C(=O)[O-])cc2)c1C	ZINC000409104637	261136094	/nfs/dbraw/zinc/13/60/94/261136094.db2.gz	GIFMGRHJTDYXDY-LICLKQGHSA-N	-1	0	270.332	3.574	40	30		CHEBRM
Cc1ccc(/N=C\c2cccc([N+](=O)[O-])c2[O-])c(C)c1	ZINC000409101013	261136706	/nfs/dbraw/zinc/13/67/06/261136706.db2.gz	OITHSQSWQTZQLF-SXGWCWSVSA-N	-1	0	270.288	3.668	40	30		CHEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2C)cc(C)c1O	ZINC000110504091	567094794	/nfs/dbraw/zinc/09/47/94/567094794.db2.gz	BXAYLVLWROJUCH-GIJQJNRQSA-N	-1	0	283.327	3.766	40	30		CHEBRM
CC1(C)[C@@]2(C)CC[C@]1(C(=O)[O-])CC2N=Nc1ccccc1	ZINC000100745909	567913833	/nfs/dbraw/zinc/91/38/33/567913833.db2.gz	IQOTWUCLAKEYNN-IQXDWNFHSA-N	-1	0	286.375	3.756	40	30		CHEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)c(C)n1C	ZINC000408782169	567932999	/nfs/dbraw/zinc/93/29/99/567932999.db2.gz	IFIUWCKJLFEWFP-CAOOACKPSA-N	-1	0	290.750	3.744	40	30		CHEBRM
CSc1ccccc1/N=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000409106181	567933974	/nfs/dbraw/zinc/93/39/74/567933974.db2.gz	MTFZJPQPKAPCBJ-OQLLNIDSSA-N	-1	0	288.328	3.773	40	30		CHEBRM
Cc1cc(N=Cc2sc3ccccc3c2[O-])no1	ZINC000005537794	170110432	/nfs/dbraw/zinc/11/04/32/170110432.db2.gz	IUUDMCPJAGJFRM-VGOFMYFVSA-N	-1	0	258.302	3.654	40	30		CHEBRM
CCCCCCCOc1ccc(C(=O)[O-])c(F)c1	ZINC000002512355	528134060	/nfs/dbraw/zinc/13/40/60/528134060.db2.gz	MOAUWOLMECDVNG-UHFFFAOYSA-N	-1	0	254.301	3.873	40	30		CHEBRM
Cc1cc2c(c(C)c1)C/C(=C\c1ccccc1C(=O)[O-])C2=O	ZINC000001647210	567840144	/nfs/dbraw/zinc/84/01/44/567840144.db2.gz	SIHGSIZDDRHKRD-NTEUORMPSA-N	-1	0	292.334	3.824	40	30		CHEBRM
O=[N+]([O-])c1ccc(/N=C\c2c[nH]c3ccccc23)c([O-])c1	ZINC000016525325	567872992	/nfs/dbraw/zinc/87/29/92/567872992.db2.gz	DUTDYHYHQQSOOT-MFOYZWKCSA-N	-1	0	281.271	3.532	40	30		CHEBRM
O=C(/C(Cl)=N\[O-])c1ccc(-c2ccccc2)cc1	ZINC000104033076	567915761	/nfs/dbraw/zinc/91/57/61/567915761.db2.gz	GYDDEJWKTNOAOF-JQIJEIRASA-N	-1	0	259.692	3.563	40	30		CHEBRM
Cc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2[O-])cc1	ZINC000003155780	567917837	/nfs/dbraw/zinc/91/78/37/567917837.db2.gz	RDIPCGVDZKSSOB-CXUHLZMHSA-N	-1	0	270.288	3.668	40	30		CHEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(C(C)C)cc1	ZINC000005410342	170095249	/nfs/dbraw/zinc/09/52/49/170095249.db2.gz	KCWLGXFMAIEIFN-OQLLNIDSSA-N	-1	0	274.393	3.509	40	30		CHEBRM
Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)[N-]2	ZINC000006245719	170185212	/nfs/dbraw/zinc/18/52/12/170185212.db2.gz	PYVFWTPEBMRKSR-UHFFFAOYSA-N	-1	0	297.383	3.526	40	30	investigational	CHEBRM
CN(C)c1ccc(/C=C/C=N\N=C/c2ccccc2O)cc1	ZINC000008627682	170343227	/nfs/dbraw/zinc/34/32/27/170343227.db2.gz	WNHBKZGOPMDTJB-WRNNECGRSA-N	-1	0	293.370	3.576	40	30		CHEBRM
CCc1ccccc1/N=C/c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000039557340	260134352	/nfs/dbraw/zinc/13/43/52/260134352.db2.gz	OVOLHATXTLUQBP-KZKLBEMASA-N	-1	0	297.354	3.852	40	30		CHEBRM
CC(C)c1ccc(C([O-])=CC(=O)c2cccnc2)cc1	ZINC000103712985	566958239	/nfs/dbraw/zinc/95/82/39/566958239.db2.gz	VZICCTIXPZBNSP-YVLHZVERSA-N	-1	0	267.328	3.987	40	30		CHEBRM
Cc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000034872063	567834606	/nfs/dbraw/zinc/83/46/06/567834606.db2.gz	PNQARKWBQSREIN-XBXARRHUSA-N	-1	0	283.283	3.505	40	30		CHEBRM
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(F)cc1	ZINC000408741622	567861200	/nfs/dbraw/zinc/86/12/00/567861200.db2.gz	RBWXVXOGZBKXEJ-YDDPGSGASA-N	-1	0	295.317	3.567	40	30		CHEBRM
O=C1c2ccccc2S/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000016524227	567873082	/nfs/dbraw/zinc/87/30/82/567873082.db2.gz	SNIXENINYQUBHV-ZSOIEALJSA-N	-1	0	299.307	3.630	40	30		CHEBRM
COc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)c([O-])c1	ZINC000016952675	567874235	/nfs/dbraw/zinc/87/42/35/567874235.db2.gz	FBEVRNKVAMTEHP-RMKNXTFCSA-N	-1	0	293.322	3.778	40	30		CHEBRM
CCc1ccccc1/N=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408963408	567933747	/nfs/dbraw/zinc/93/37/47/567933747.db2.gz	NWCKIOAGNMABPN-MHWRWJLKSA-N	-1	0	270.288	3.613	40	30		CHEBRM
CCc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000408858491	529589644	/nfs/dbraw/zinc/58/96/44/529589644.db2.gz	PKMRQBIOURKBMD-KZKLBEMASA-N	-1	0	297.354	3.852	40	30		CHEBRM
CCc1ccc(C(=O)C=CNc2ccccc2C(=O)[O-])cc1	ZINC000005928896	170156717	/nfs/dbraw/zinc/15/67/17/170156717.db2.gz	KGFKUJIYMRTUDW-QXMHVHEDSA-N	-1	0	295.338	3.756	40	30		CHEBRM
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(C(=O)[O-])cc1)C2	ZINC000006663099	170223663	/nfs/dbraw/zinc/22/36/63/170223663.db2.gz	JINZAULNUUUWCJ-FZKQIMNGSA-N	-1	0	299.370	3.706	40	30		CHEBRM
Cc1cc2c(c(C)c1)C/C(=C/c1ccccc1C(=O)[O-])C2=O	ZINC000008665683	170344785	/nfs/dbraw/zinc/34/47/85/170344785.db2.gz	SIHGSIZDDRHKRD-ZROIWOOFSA-N	-1	0	292.334	3.824	40	30		CHEBRM
Cc1ccc(/N=C\c2cccc(OCC(=O)[O-])c2)cc1C	ZINC000409199389	261148136	/nfs/dbraw/zinc/14/81/36/261148136.db2.gz	CBSNJOLRYGQCCX-ZDLGFXPLSA-N	-1	0	283.327	3.517	40	30		CHEBRM
Cc1cccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000409203546	261149182	/nfs/dbraw/zinc/14/91/82/261149182.db2.gz	XTVRSTUYGBFIQW-CXUHLZMHSA-N	-1	0	270.288	3.668	40	30		CHEBRM
O=C([O-])COc1ccc(/C=N/c2ccccc2)cc1Cl	ZINC000059678845	262391267	/nfs/dbraw/zinc/39/12/67/262391267.db2.gz	SMRKZCWMIWOETF-RQZCQDPDSA-N	-1	0	289.718	3.554	40	30		CHEBRM
O=C([O-])c1ccc(N=Cc2ccc3ccccc3c2O)cc1	ZINC000260840642	328073702	/nfs/dbraw/zinc/07/37/02/328073702.db2.gz	QPXXXUZIWYCYNN-UHFFFAOYSA-N	-1	0	291.306	3.994	40	30		CHEBRM
CCN(CC)c1ccc(/C=N/c2ccc(C(=O)[O-])cc2)o1	ZINC000137938434	567094895	/nfs/dbraw/zinc/09/48/95/567094895.db2.gz	PGKARAQSHSLCCD-GZTJUZNOSA-N	-1	0	286.331	3.575	40	30		CHEBRM
Cc1ccc(C)c(C(=N/[O-])/C(=N\O)c2cc(C)ccc2C)c1	ZINC000108918266	567095867	/nfs/dbraw/zinc/09/58/67/567095867.db2.gz	FRPBOWXWDVYTOA-CLFAGFIQSA-N	-1	0	296.370	3.977	40	30		CHEBRM
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2=CNc1ccccc1C(=O)[O-]	ZINC000013405121	567866032	/nfs/dbraw/zinc/86/60/32/567866032.db2.gz	HQZFNBAHDOKMNO-LUCWNFSVSA-N	-1	0	299.370	3.706	40	30		CHEBRM
C[C@@]1(C(=O)[O-])CCC[C@]2(C)[C@H]3CCC(=O)C=C3CC[C@@H]12	ZINC000014620030	567869370	/nfs/dbraw/zinc/86/93/70/567869370.db2.gz	DXXGHDAWCPTRPU-XOSAIJSUSA-N	-1	0	276.376	3.583	40	30	biogenic,in-vitro	CHEBRM
Cc1cccc(C(=O)/C=C/c2ccccc2C(=O)[O-])c1	ZINC000016349018	567872422	/nfs/dbraw/zinc/87/24/22/567872422.db2.gz	GIKDSHYCCHCMCY-MDZDMXLPSA-N	-1	0	266.296	3.589	40	30		CHEBRM
CCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000028535980	567883812	/nfs/dbraw/zinc/88/38/12/567883812.db2.gz	AJWFQCNUNFFTHX-HNNXBMFYSA-N	-1	0	297.439	3.983	40	30		CHEBRM
C=CCc1cc(C=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408845420	567932991	/nfs/dbraw/zinc/93/29/91/567932991.db2.gz	MVWKQKODCMFKCR-UHFFFAOYSA-N	-1	0	296.322	3.505	40	30		CHEBRM
O=C([O-])c1cccc(-n2cccc2/C=N/c2ccccc2)c1	ZINC000409089064	567933989	/nfs/dbraw/zinc/93/39/89/567933989.db2.gz	MTTQZTPMPJBJLS-CPNJWEJPSA-N	-1	0	290.322	3.926	40	30		CHEBRM
N#C[C@H](C(=S)[S-])c1ncc(C(F)(F)F)cc1Cl	ZINC000091696095	570391074	/nfs/dbraw/zinc/39/10/74/570391074.db2.gz	LOWBRUHLENFMNJ-YFKPBYRVSA-N	-1	0	296.726	3.618	40	30		CHEBRM
O=C(/C=C\c1ccc(O)cc1)c1cc(Cl)ccc1[O-]	ZINC000008656089	170344226	/nfs/dbraw/zinc/34/42/26/170344226.db2.gz	KXLQQFWERKUYLC-CLTKARDFSA-N	-1	0	274.703	3.647	40	30		CHEBRM
COc1ccc(/N=C/c2ccc([O-])c(Cl)c2)cc1	ZINC000008116531	567079607	/nfs/dbraw/zinc/07/96/07/567079607.db2.gz	YFWSQVQHQQIGDE-CXUHLZMHSA-N	-1	0	261.708	3.805	40	30		CHEBRM
Cc1cccc2c1C(=O)/C(=C/c1ccccc1C(=O)[O-])C2	ZINC000001647242	567839975	/nfs/dbraw/zinc/83/99/75/567839975.db2.gz	VPMFATBOCHEXEA-NTEUORMPSA-N	-1	0	278.307	3.516	40	30		CHEBRM
Cc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c1	ZINC000001835411	567843645	/nfs/dbraw/zinc/84/36/45/567843645.db2.gz	FGAVFMDVTVQQLO-BOPFTXTBSA-N	-1	0	294.383	3.798	40	30		CHEBRM
O=C(C=Cc1ccccc1)C=C([O-])c1ccccc1	ZINC000104352641	567916711	/nfs/dbraw/zinc/91/67/11/567916711.db2.gz	MLNVBUQTXITYPT-QXMHVHEDSA-N	-1	0	250.297	3.542	40	30		CHEBRM
CCCCCCCCOc1ccc(C(=O)[O-])c(O)c1	ZINC000100926095	567939375	/nfs/dbraw/zinc/93/93/75/567939375.db2.gz	LFSMESHCYDMFKL-UHFFFAOYSA-N	-1	0	266.337	3.830	40	30		CHEBRM
O=C1c2ccccc2C([O-])=C1c1ccnc2ccccc21	ZINC000013124108	567941280	/nfs/dbraw/zinc/94/12/80/567941280.db2.gz	OTBKGFWRIQFFOD-UHFFFAOYSA-N	-1	0	273.291	3.857	40	30		CHEBRM
N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-]	ZINC000034213984	171834405	/nfs/dbraw/zinc/83/44/05/171834405.db2.gz	IGSKVMQALPYWSB-UHFFFAOYSA-N	-1	0	284.913	3.870	40	30		CHEBRM
C#CCC[C@@H](O)CCCCCCCCCCC(=O)[O-]	ZINC000072228948	176343894	/nfs/dbraw/zinc/34/38/94/176343894.db2.gz	DNLHXABOBLHQOT-OAHLLOKOSA-N	-1	0	268.397	3.746	40	30		CHEBRM
CCCCCC/C(=N\OCc1ccccc1)C(=O)[O-]	ZINC000004692527	260016179	/nfs/dbraw/zinc/01/61/79/260016179.db2.gz	TVRKKLMIINVXNE-JQIJEIRASA-N	-1	0	263.337	3.614	40	30		CHEBRM
Cc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000059679305	262391286	/nfs/dbraw/zinc/39/12/86/262391286.db2.gz	KNKYKZZVHJUZCJ-VBEHJTROSA-N	-1	0	283.327	3.598	40	30		CHEBRM
O=C([O-])/C=C\C(=O)c1ccc(C2CCCCC2)cc1	ZINC000100446337	534479576	/nfs/dbraw/zinc/47/95/76/534479576.db2.gz	YJJOPFUDTMESJU-KHPPLWFESA-N	-1	0	258.317	3.558	40	30		CHEBRM
O=C1c2ccccc2C(=O)C(Nc2ccc(Cl)cc2)=C1[O-]	ZINC000031672001	567885082	/nfs/dbraw/zinc/88/50/82/567885082.db2.gz	CFMCHTLGLDUAFH-UHFFFAOYSA-N	-1	0	299.713	3.601	40	30		CHEBRM
Cc1c(/C=N\c2cccc(C(=O)[O-])c2)c2ccccc2n1C	ZINC000408848730	567933268	/nfs/dbraw/zinc/93/32/68/567933268.db2.gz	SDLJUYNIUCHUMC-ODLFYWEKSA-N	-1	0	292.338	3.936	40	30		CHEBRM
CCn1c(C)cc(/C=N\c2cc(C(=O)[O-])ccc2C)c1C	ZINC000409073360	567934029	/nfs/dbraw/zinc/93/40/29/567934029.db2.gz	YHGSQISYWJKLSD-ZDLGFXPLSA-N	-1	0	284.359	3.882	40	30		CHEBRM
CSc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000000272863	567936078	/nfs/dbraw/zinc/93/60/78/567936078.db2.gz	CAOTVJMYXLFNCO-OQLLNIDSSA-N	-1	0	288.328	3.773	40	30		CHEBRM
CC(C)Oc1ccccc1C=NNc1ccccc1C(=O)[O-]	ZINC000036729159	1120619842	/nfs/dbraw/zinc/61/98/42/1120619842.db2.gz	KHFMMZVRXNXESX-WOJGMQOQSA-N	-1	0	298.342	3.618	40	30		CHEBRM
CCCCCCCCCCCC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000100303396	185711036	/nfs/dbraw/zinc/71/10/36/185711036.db2.gz	UNPKYTNUABIHLJ-OAHLLOKOSA-N	-1	0	285.428	3.887	40	30		CHEBRM
O=C(C=Cc1ccccc1)C=C([O-])c1ccccc1	ZINC000003903217	169923419	/nfs/dbraw/zinc/92/34/19/169923419.db2.gz	MLNVBUQTXITYPT-VAWYXSNFSA-N	-1	0	250.297	3.542	40	30		CHEBRM
CC(=N\O)/C(=N/[O-])c1ccc(C2CCCCC2)cc1	ZINC000006360564	170195291	/nfs/dbraw/zinc/19/52/91/170195291.db2.gz	ZKOIHRDWJRZYAR-DDNNWOMUSA-N	-1	0	260.337	3.763	40	30		CHEBRM
CCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1	ZINC000035585999	172284556	/nfs/dbraw/zinc/28/45/56/172284556.db2.gz	NMLCKUMNKLWKAT-GZTJUZNOSA-N	-1	0	269.300	3.534	40	30		CHEBRM
Cc1ccc(C(=N/[O-])/C(=N\O)c2ccc(C)c(C)c2)cc1C	ZINC000408729118	260030939	/nfs/dbraw/zinc/03/09/39/260030939.db2.gz	AQMKTQAJNBWYCF-CLFAGFIQSA-N	-1	0	296.370	3.977	40	30		CHEBRM
O=C(C=C([O-])c1ccc(Cl)cc1)c1ccncc1	ZINC000103713031	566959053	/nfs/dbraw/zinc/95/90/53/566959053.db2.gz	IJGFZLMBCAGNSB-ZROIWOOFSA-N	-1	0	259.692	3.517	40	30		CHEBRM
Cc1c(Cl)cc(-c2ccc(/C=N/[O-])o2)cc1[N+](=O)[O-]	ZINC000026508648	567062258	/nfs/dbraw/zinc/06/22/58/567062258.db2.gz	FQUFNBGYENUADR-MKMNVTDBSA-N	-1	0	280.667	3.625	40	30		CHEBRM
CCOc1ccc(/C=N/c2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC000004281056	567856557	/nfs/dbraw/zinc/85/65/57/567856557.db2.gz	WGWBOCQKPUEQCQ-CLHQEALVSA-N	-1	0	295.338	3.934	40	30		CHEBRM
Cc1cc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1C	ZINC000408778914	567933028	/nfs/dbraw/zinc/93/30/28/567933028.db2.gz	ZQIQWCHTSXALFF-IUXPMGMMSA-N	-1	0	290.750	3.744	40	30		CHEBRM
CCn1c(C)cc(/C=N/c2cccc(C(=O)[O-])c2)c1C	ZINC000409071345	567933986	/nfs/dbraw/zinc/93/39/86/567933986.db2.gz	JKCAYMIXQHTLFN-LICLKQGHSA-N	-1	0	270.332	3.574	40	30		CHEBRM
O=C([O-])c1ccc(-n2cccc2/C=N/c2ccccc2)cc1	ZINC000409221994	567934886	/nfs/dbraw/zinc/93/48/86/567934886.db2.gz	APANZVAKTKJDSZ-CPNJWEJPSA-N	-1	0	290.322	3.926	40	30		CHEBRM
Cc1ccc(/N=C/c2c([O-])c3cc(C)ccc3[nH]c2=O)cc1	ZINC000104830877	186026803	/nfs/dbraw/zinc/02/68/03/186026803.db2.gz	USYYTNCMPBMQPB-VXLYETTFSA-N	-1	0	292.338	3.601	40	30		CHEBRM
O=C([O-])c1ccccc1/N=C/c1ccc(Cl)cc1	ZINC000001598358	169722248	/nfs/dbraw/zinc/72/22/48/169722248.db2.gz	HUALPDCOTZUBOD-CXUHLZMHSA-N	-1	0	259.692	3.789	40	30		CHEBRM
C[C@]1(C(=O)[O-])CCC[C@]2(C)C3=CC(=O)CCC3=CC[C@@H]12	ZINC000005004470	170053892	/nfs/dbraw/zinc/05/38/92/170053892.db2.gz	GGTHDIPRPUXPMX-OIISXLGYSA-N	-1	0	274.360	3.503	40	30		CHEBRM
Cc1cccc(C(=O)C=CNc2ccccc2C(=O)[O-])c1	ZINC000006276208	170187493	/nfs/dbraw/zinc/18/74/93/170187493.db2.gz	DVUXSTGVOHKHPA-KTKRTIGZSA-N	-1	0	281.311	3.502	40	30		CHEBRM
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(C(=O)[O-])cc1)C2	ZINC000006663114	170223695	/nfs/dbraw/zinc/22/36/95/170223695.db2.gz	JINZAULNUUUWCJ-UGSOOPFHSA-N	-1	0	299.370	3.706	40	30		CHEBRM
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1	ZINC000008653398	170343771	/nfs/dbraw/zinc/34/37/71/170343771.db2.gz	HKIFSTBWORQONB-UHFFFAOYSA-N	-1	0	286.334	3.889	40	30		CHEBRM
O=C([O-])c1ccc(/N=C/c2ccc3c(c2)CCC3)cc1	ZINC000019861805	567879650	/nfs/dbraw/zinc/87/96/50/567879650.db2.gz	ISHXWIASDNUHIL-WOJGMQOQSA-N	-1	0	265.312	3.624	40	30		CHEBRM
O=C([O-])c1ccc(/N=C\c2ccc3c(c2)CCC3)cc1	ZINC000104224817	567916353	/nfs/dbraw/zinc/91/63/53/567916353.db2.gz	ISHXWIASDNUHIL-WQRHYEAKSA-N	-1	0	265.312	3.624	40	30		CHEBRM
O=[N+]([O-])c1cc(/C=N/c2ccc3ncccc3c2)ccc1[O-]	ZINC000408965662	567933613	/nfs/dbraw/zinc/93/36/13/567933613.db2.gz	WYCBDIAACQOAHX-VCHYOVAHSA-N	-1	0	293.282	3.599	40	30		CHEBRM
CCn1c(C)cc(/C=N/c2ccc(C(=O)[O-])cc2C)c1C	ZINC000409064613	567934162	/nfs/dbraw/zinc/93/41/62/567934162.db2.gz	IAPXYTGWPXQLPS-VCHYOVAHSA-N	-1	0	284.359	3.882	40	30		CHEBRM
Cc1ccc2c(c1)C(=O)/C(=C\c1cc(C)ccc1C(=O)[O-])C2	ZINC000016958826	570225537	/nfs/dbraw/zinc/22/55/37/570225537.db2.gz	GJVNMEUACXCADJ-GDNBJRDFSA-N	-1	0	292.334	3.824	40	30		CHEBRM
CCC(CC)n1ccc2c1cc(C#N)cc2C(=O)[O-]	ZINC000214490134	1122882180	/nfs/dbraw/zinc/88/21/80/1122882180.db2.gz	SJIITLKWSFNRKV-UHFFFAOYSA-N	-1	0	256.305	3.572	40	30		CHEBRM
[O-]/N=C\c1ccccc1OCc1ccccc1Cl	ZINC000006926924	170256291	/nfs/dbraw/zinc/25/62/91/170256291.db2.gz	YEMBTGSCXXONLN-SXGWCWSVSA-N	-1	0	261.708	3.727	40	30		CHEBRM
CCCCCCCCCCCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000028538037	567883805	/nfs/dbraw/zinc/88/38/05/567883805.db2.gz	AJWFQCNUNFFTHX-OAHLLOKOSA-N	-1	0	297.439	3.983	40	30		CHEBRM
Cc1cccc(/N=C/c2ccc(OCC(=O)[O-])cc2)c1C	ZINC000409213323	567934790	/nfs/dbraw/zinc/93/47/90/567934790.db2.gz	ULFJKNOETQUKMC-VCHYOVAHSA-N	-1	0	283.327	3.517	40	30		CHEBRM
CC(=CC(=O)c1ccccc1)Nc1ccccc1C(=O)[O-]	ZINC000409180388	567934840	/nfs/dbraw/zinc/93/48/40/567934840.db2.gz	WWBDRVZHLCQDOE-VAWYXSNFSA-N	-1	0	281.311	3.583	40	30		CHEBRM
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@H]1CCC1=CC(=O)CC[C@H]12	ZINC000031158994	290872750	/nfs/dbraw/zinc/87/27/50/290872750.db2.gz	DXXGHDAWCPTRPU-MUIFIZLQSA-N	-1	0	276.376	3.583	40	30	biogenic,in-vitro	CHEBRM
Cc1cc(C)c(C#N)c(SCc2ccccc2C(=O)[O-])n1	ZINC000000278547	169595564	/nfs/dbraw/zinc/59/55/64/169595564.db2.gz	VPYRBGYTRXAJLJ-UHFFFAOYSA-N	-1	0	298.367	3.561	40	30		CHEBRM
O=C(/C=C\c1c[nH]c2ccccc12)c1ccccc1[O-]	ZINC000005767134	170138783	/nfs/dbraw/zinc/13/87/83/170138783.db2.gz	BNYXDAPVMGMJTA-KTKRTIGZSA-N	-1	0	263.296	3.770	40	30		CHEBRM
CC(=N\c1ccc(C)cc1)/C(=N\[O-])C(=O)Nc1ccccc1	ZINC000045920350	566976428	/nfs/dbraw/zinc/97/64/28/566976428.db2.gz	ITFNOSUDYNTIBX-FQLPPTMUSA-N	-1	0	295.342	3.556	40	30		CHEBRM
N=C1SC(=Cc2ccccc2)C([O-])=C1c1nccs1	ZINC000033473311	567096734	/nfs/dbraw/zinc/09/67/34/567096734.db2.gz	DECDNUFONQVFMH-CQMCAKQTSA-N	-1	0	286.381	3.561	40	30		CHEBRM
Cc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000001243715	567836545	/nfs/dbraw/zinc/83/65/45/567836545.db2.gz	GVNZBVMCFWWQMS-BOPFTXTBSA-N	-1	0	294.383	3.798	40	30		CHEBRM
CC=C(CC)[C@H](C)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000104120899	567916087	/nfs/dbraw/zinc/91/60/87/567916087.db2.gz	LNUNROVIWVNASP-ZQJWYQMXSA-N	-1	0	270.328	3.870	40	30		CHEBRM
Cc1ccc(/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)c(C)c1	ZINC000408814274	567933208	/nfs/dbraw/zinc/93/32/08/567933208.db2.gz	SKHCBKNKONWDOH-AXLWCPOOSA-N	-1	0	297.354	3.906	40	30		CHEBRM
Cc1cc(C(=O)[O-])ccc1NC=CC(=O)c1ccccc1	ZINC000409181452	567934683	/nfs/dbraw/zinc/93/46/83/567934683.db2.gz	ARIFIPNKZSNRKO-MDZDMXLPSA-N	-1	0	281.311	3.502	40	30		CHEBRM
N=C1SC(=Cc2cccs2)C([O-])=C1c1nccs1	ZINC000136067367	570271831	/nfs/dbraw/zinc/27/18/31/570271831.db2.gz	GXLMVTKKDXOELS-LQSIPYTESA-N	-1	0	292.410	3.622	40	30		CHEBRM
[O-]/N=C/c1ccccc1OCc1cccc(Cl)c1	ZINC000103843914	230393334	/nfs/dbraw/zinc/39/33/34/230393334.db2.gz	CTDJIUDKAYVCNI-CXUHLZMHSA-N	-1	0	261.708	3.727	40	30		CHEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(C(C)(C)C)cc1	ZINC000005459285	170101481	/nfs/dbraw/zinc/10/14/81/170101481.db2.gz	ORTVLGHAZPUFRV-MHWRWJLKSA-N	-1	0	288.420	3.683	40	30		CHEBRM
O=C1c2ccccc2C(=O)C(Sc2ccccc2)=C1[O-]	ZINC000103843503	534849296	/nfs/dbraw/zinc/84/92/96/534849296.db2.gz	WOBSTCINMNPSJQ-UHFFFAOYSA-N	-1	0	282.320	3.628	40	30		CHEBRM
O=C([O-])CCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000002530939	567859909	/nfs/dbraw/zinc/85/99/09/567859909.db2.gz	KLCHKVPLFZBIKO-UHFFFAOYSA-N	-1	0	292.097	3.525	40	30		CHEBRM
Cc1ccc(C(=O)C=CNc2ccccc2C(=O)[O-])cc1	ZINC000016291726	567872574	/nfs/dbraw/zinc/87/25/74/567872574.db2.gz	VJJNXNVWNAZLNU-KHPPLWFESA-N	-1	0	281.311	3.502	40	30		CHEBRM
O=C([O-])c1ccccc1/C=C/C(=O)c1ccc(Cl)s1	ZINC000016768196	567873710	/nfs/dbraw/zinc/87/37/10/567873710.db2.gz	NIUXQWBOCUYVLT-AATRIKPKSA-N	-1	0	292.743	3.996	40	30		CHEBRM
N#Cc1cncc(Oc2c(C(=O)[O-])ccc3ccccc32)c1	ZINC000685937313	570389544	/nfs/dbraw/zinc/38/95/44/570389544.db2.gz	GQQKJIXEMIJAQD-UHFFFAOYSA-N	-1	0	290.278	3.597	40	30		CHEBRM
CC[C@H]1[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]2CC[C@@]1(C)C(=O)[O-]	ZINC000006224904	256808710	/nfs/dbraw/zinc/80/87/10/256808710.db2.gz	XTYLGTOMVGQDQC-RNGZQALNSA-N	-1	0	290.403	3.829	40	30		CHEBRM
O=C([O-])c1ccc(/N=C/c2ccc3ccccc3c2O)cc1	ZINC000032101638	171697142	/nfs/dbraw/zinc/69/71/42/171697142.db2.gz	QPXXXUZIWYCYNN-YBFXNURJSA-N	-1	0	291.306	3.994	40	30		CHEBRM
Cc1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000059679303	262391370	/nfs/dbraw/zinc/39/13/70/262391370.db2.gz	KNKYKZZVHJUZCJ-FHXOWUIVSA-N	-1	0	283.327	3.598	40	30		CHEBRM
O=C([O-])c1cccc(/N=C/c2ccc(Cl)s2)c1	ZINC000408966006	534548482	/nfs/dbraw/zinc/54/84/82/534548482.db2.gz	KVRJPIJHNNFPRN-VGOFMYFVSA-N	-1	0	265.721	3.850	40	30		CHEBRM
CCCCCCCCOC(=O)c1ccccc1C(=O)[O-]	ZINC000001680016	528131459	/nfs/dbraw/zinc/13/14/59/528131459.db2.gz	PKIYFBICNICNGJ-UHFFFAOYSA-N	-1	0	278.348	3.902	40	30	in-vitro	CHEBRM
[O-]/N=C\c1ccccc1-c1nc2ccc(F)cc2s1	ZINC000045923237	566977129	/nfs/dbraw/zinc/97/71/29/566977129.db2.gz	JQKMRZXIOJRLHM-PXNMLYILSA-N	-1	0	272.304	3.911	40	30		CHEBRM
Cc1cc(C(=O)[O-])ccc1NC=C1CCCCCC1=O	ZINC000139366296	567096629	/nfs/dbraw/zinc/09/66/29/567096629.db2.gz	JLDAZNSCDVTRTP-JLHYYAGUSA-N	-1	0	273.332	3.522	40	30		CHEBRM
O=[N+]([O-])c1cccc(/C=N/c2cccc(Cl)c2[O-])c1	ZINC000018176351	567876994	/nfs/dbraw/zinc/87/69/94/567876994.db2.gz	YSWSOBKWPAGWGV-OVCLIPMQSA-N	-1	0	276.679	3.704	40	30		CHEBRM
[O-]/N=C/c1ccc(-c2ccc(Br)cc2F)o1	ZINC000073638286	567893615	/nfs/dbraw/zinc/89/36/15/567893615.db2.gz	WMPGWTQRBQOEIG-MKMNVTDBSA-N	-1	0	284.084	3.656	40	30		CHEBRM
Cc1cccc(/N=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1	ZINC000408851371	567933051	/nfs/dbraw/zinc/93/30/51/567933051.db2.gz	YDOINQQWZKGWDB-FHNWIRHTSA-N	-1	0	283.327	3.598	40	30		CHEBRM
O=C([O-])c1ccc(/C=C2/Sc3ccccc3C2=O)cc1	ZINC000006496336	570381543	/nfs/dbraw/zinc/38/15/43/570381543.db2.gz	RTROIPBAZCZIPX-NTEUORMPSA-N	-1	0	282.320	3.714	40	30		CHEBRM
Cc1ccc(/N=C/c2c([O-])ccc3c(C)cc(=O)oc23)cc1	ZINC000016291608	567872723	/nfs/dbraw/zinc/87/27/23/567872723.db2.gz	HKYMCKGDYCPYHM-VXLYETTFSA-N	-1	0	293.322	3.866	40	30		CHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc3cccnc32)c1	ZINC000016513306	567872852	/nfs/dbraw/zinc/87/28/52/567872852.db2.gz	HTTIIADQECIAKC-VCHYOVAHSA-N	-1	0	293.282	3.599	40	30		CHEBRM
O=C([O-])c1ccccc1/N=C\c1ccccc1Cl	ZINC000017159927	567874933	/nfs/dbraw/zinc/87/49/33/567874933.db2.gz	YBTFPRVPEDKABZ-SXGWCWSVSA-N	-1	0	259.692	3.789	40	30		CHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2cnc3ccccc3c2)c1	ZINC000017425519	567875615	/nfs/dbraw/zinc/87/56/15/567875615.db2.gz	XSFUOEAMKWMCGM-MFOYZWKCSA-N	-1	0	293.282	3.599	40	30		CHEBRM
Oc1ccccc1/C=N\c1ccc(Br)cc1	ZINC000096299816	567910220	/nfs/dbraw/zinc/91/02/20/567910220.db2.gz	VWAMOQWOPYDCQR-DHDCSXOGSA-N	-1	0	276.133	3.905	40	30		CHEBRM
Cc1ccc(C)c(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000408905225	567933429	/nfs/dbraw/zinc/93/34/29/567933429.db2.gz	VKXSYULIURSUNO-SXGWCWSVSA-N	-1	0	270.288	3.668	40	30		CHEBRM
CSc1ccccc1/N=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408964323	567933584	/nfs/dbraw/zinc/93/35/84/567933584.db2.gz	QSUSQEBXZSQKMH-OQLLNIDSSA-N	-1	0	288.328	3.773	40	30		CHEBRM
N#Cc1c2c(sc1/N=C/c1cc(O)cc(O)c1)CCCC2	ZINC000011565681	570219836	/nfs/dbraw/zinc/21/98/36/570219836.db2.gz	YXTCLZHUYLUJTF-GIJQJNRQSA-N	-1	0	298.367	3.660	40	30		CHEBRM
N#Cc1cncc(Oc2ccc(C(=O)[O-])c3ccccc23)c1	ZINC000685937866	570389460	/nfs/dbraw/zinc/38/94/60/570389460.db2.gz	XUOOPJXMIXTWFU-UHFFFAOYSA-N	-1	0	290.278	3.597	40	30		CHEBRM
Cc1ccc(/N=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c(C)c1	ZINC000408814284	230409815	/nfs/dbraw/zinc/40/98/15/230409815.db2.gz	SKHCBKNKONWDOH-KVMVOAJRSA-N	-1	0	297.354	3.906	40	30		CHEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/N=C/c1ccco1	ZINC000001709401	169746970	/nfs/dbraw/zinc/74/69/70/169746970.db2.gz	RVHIWLKGFPLUOB-MBGCCUORSA-N	-1	0	283.114	3.745	40	30		CHEBRM
C[C@@]1(C(=O)[O-])CCC[C@]2(C)[C@@H]3CCC(=O)C=C3CC[C@H]12	ZINC000100161179	560053406	/nfs/dbraw/zinc/05/34/06/560053406.db2.gz	DXXGHDAWCPTRPU-YALNPMBYSA-N	-1	0	276.376	3.583	40	30	biogenic,in-vitro	CHEBRM
N#Cc1cc(Cc2ccccc2)cc(Br)c1[O-]	ZINC000030714713	567170311	/nfs/dbraw/zinc/17/03/11/567170311.db2.gz	ZLNFUXPBJZTFOY-UHFFFAOYSA-N	-1	0	288.144	3.617	40	30		CHEBRM
Cc1ccc2c(c1)C(=O)/C(=C/c1cc(C)ccc1C(=O)[O-])C2	ZINC000001647234	567840096	/nfs/dbraw/zinc/84/00/96/567840096.db2.gz	GJVNMEUACXCADJ-XNTDXEJSSA-N	-1	0	292.334	3.824	40	30		CHEBRM
Cc1ccc(C(=O)C=CNc2ccc(C(=O)[O-])cc2)cc1	ZINC000012367790	567862755	/nfs/dbraw/zinc/86/27/55/567862755.db2.gz	HVAUIGDFGCAZML-KHPPLWFESA-N	-1	0	281.311	3.502	40	30		CHEBRM
CC=C(CC)[C@@H](C)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000017836284	567875999	/nfs/dbraw/zinc/87/59/99/567875999.db2.gz	LNUNROVIWVNASP-BJIOATRMSA-N	-1	0	270.328	3.870	40	30		CHEBRM
[O-]/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	ZINC000409077623	567934202	/nfs/dbraw/zinc/93/42/02/567934202.db2.gz	FQEIINYZFAYJDJ-NTUHNPAUSA-N	-1	0	253.710	3.892	40	30		CHEBRM
COc1ccc(/C=N/c2cccc(Cl)c2)cc1C(=O)[O-]	ZINC000100287219	567935665	/nfs/dbraw/zinc/93/56/65/567935665.db2.gz	ZGOXEVDBOXKCDZ-RQZCQDPDSA-N	-1	0	289.718	3.797	40	30		CHEBRM
O=C([O-])c1ccc(/N=C/c2ccc(Cl)cc2)cc1	ZINC000101482198	230392684	/nfs/dbraw/zinc/39/26/84/230392684.db2.gz	XTGYZPWVGUMIHQ-CXUHLZMHSA-N	-1	0	259.692	3.789	40	30		CHEBRM
CCCCCCCOC(=O)c1ccccc1C(=O)[O-]	ZINC000002379608	260009210	/nfs/dbraw/zinc/00/92/10/260009210.db2.gz	DMVQNBGDYPFJCC-UHFFFAOYSA-N	-1	0	264.321	3.512	40	30		CHEBRM
Cc1ccc(/N=C/c2ccc(OCC(=O)[O-])cc2)cc1C	ZINC000409199936	261148255	/nfs/dbraw/zinc/14/82/55/261148255.db2.gz	FVMPAPUHOLFNOR-VCHYOVAHSA-N	-1	0	283.327	3.517	40	30		CHEBRM
CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCC(=O)[O-]	ZINC000033922582	520202222	/nfs/dbraw/zinc/20/22/22/520202222.db2.gz	SZVNKXCDJUBPQO-DWMAKUKJSA-N	-1	0	264.365	3.749	40	30	in-vitro	CHEBRM
C[C@@]1(C(=O)[O-])CCC[C@]2(C)[C@H]3CCC(=O)C=C3CC[C@H]12	ZINC000031158990	567177514	/nfs/dbraw/zinc/17/75/14/567177514.db2.gz	DXXGHDAWCPTRPU-XJNFMUPTSA-N	-1	0	276.376	3.583	40	30	biogenic,in-vitro	CHEBRM
O=C([O-])c1ccc(/N=C/c2ccccc2Cl)cc1	ZINC000003599113	567178942	/nfs/dbraw/zinc/17/89/42/567178942.db2.gz	UGZCJCDICUQORS-CXUHLZMHSA-N	-1	0	259.692	3.789	40	30		CHEBRM
Cc1cc(=O)oc2c(/C=N/C3CCCCC3)c([O-])ccc12	ZINC000000581285	567833954	/nfs/dbraw/zinc/83/39/54/567833954.db2.gz	HGEKTLUIVASDNQ-VCHYOVAHSA-N	-1	0	285.343	3.559	40	30		CHEBRM
Cc1ccc(C(=O)C=CNc2ccc(C(=O)[O-])cc2C)cc1	ZINC000409178796	567934856	/nfs/dbraw/zinc/93/48/56/567934856.db2.gz	OUFCQWDUHCSWEV-MDZDMXLPSA-N	-1	0	295.338	3.810	40	30		CHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(F)c(Cl)c2)c1	ZINC000005287242	570381228	/nfs/dbraw/zinc/38/12/28/570381228.db2.gz	PTSDEFNTEAZRNR-FRKPEAEDSA-N	-1	0	294.669	3.844	40	30		CHEBRM
O=[N+]([O-])c1cc(/C=N/c2cccc(Cl)c2)ccc1[O-]	ZINC000111937286	230394200	/nfs/dbraw/zinc/39/42/00/230394200.db2.gz	VMPYIYYJDWJRNO-OVCLIPMQSA-N	-1	0	276.679	3.704	40	30		CHEBRM
Cc1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1C	ZINC000059426281	256795962	/nfs/dbraw/zinc/79/59/62/256795962.db2.gz	FCNFSLKMSYEPJT-CXUHLZMHSA-N	-1	0	270.288	3.668	40	30		CHEBRM
[O-]c1ccc(/C=N/c2ccccc2)cc1Br	ZINC000005600764	170118285	/nfs/dbraw/zinc/11/82/85/170118285.db2.gz	QRAOHSXXPPODKP-OQLLNIDSSA-N	-1	0	276.133	3.905	40	30		CHEBRM
CCCCCCc1ccc(C(=N\[O-])/C(C)=N/O)cc1	ZINC000006655836	170222704	/nfs/dbraw/zinc/22/27/04/170222704.db2.gz	ALDDYHAKNAXZBH-LRXYHQOISA-N	-1	0	262.353	3.838	40	30		CHEBRM
Cc1cccc2c1C(=O)/C(=C\c1ccccc1C(=O)[O-])C2	ZINC000008665684	170344653	/nfs/dbraw/zinc/34/46/53/170344653.db2.gz	VPMFATBOCHEXEA-ZROIWOOFSA-N	-1	0	278.307	3.516	40	30		CHEBRM
CCn1c(C)cc(/C=N/c2cccc(C(=O)[O-])c2C)c1C	ZINC000409106511	261138354	/nfs/dbraw/zinc/13/83/54/261138354.db2.gz	NTEAXXBCUFHTIJ-VCHYOVAHSA-N	-1	0	284.359	3.882	40	30		CHEBRM
Cc1ccc(C)c(/N=C\c2cccc(OCC(=O)[O-])c2)c1	ZINC000409202537	261148269	/nfs/dbraw/zinc/14/82/69/261148269.db2.gz	RCFZOORMQWCWPH-ZDLGFXPLSA-N	-1	0	283.327	3.517	40	30		CHEBRM
O=C([O-])c1cccc(/N=C/c2cccn2-c2ccccc2)c1	ZINC000059679042	262391300	/nfs/dbraw/zinc/39/13/00/262391300.db2.gz	JTPWQVIIAPVHQF-CPNJWEJPSA-N	-1	0	290.322	3.926	40	30		CHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cnc3ccccc3c2)c1	ZINC000001703798	567842031	/nfs/dbraw/zinc/84/20/31/567842031.db2.gz	XSFUOEAMKWMCGM-RQZCQDPDSA-N	-1	0	293.282	3.599	40	30		CHEBRM
O=C(C=C([O-])C(F)(F)F)c1ccc(Br)cc1	ZINC000100244402	567912520	/nfs/dbraw/zinc/91/25/20/567912520.db2.gz	DZGSHCDYLCYXIT-WEVVVXLNSA-N	-1	0	295.054	3.636	40	30		CHEBRM
CCc1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000408858489	567933020	/nfs/dbraw/zinc/93/30/20/567933020.db2.gz	PKMRQBIOURKBMD-HCZVKUGISA-N	-1	0	297.354	3.852	40	30		CHEBRM
COc1ccc(/C=N/c2cc(C)ccc2C)cc1C(=O)[O-]	ZINC000100287187	567935697	/nfs/dbraw/zinc/93/56/97/567935697.db2.gz	HDKAUNXENUKQNU-VCHYOVAHSA-N	-1	0	283.327	3.761	40	30		CHEBRM
O=C([O-])c1ccc(/N=C\c2c(O)ccc3ccccc32)cc1	ZINC000013124361	567941353	/nfs/dbraw/zinc/94/13/53/567941353.db2.gz	VZEJBHQYZBEMMM-ODLFYWEKSA-N	-1	0	291.306	3.994	40	30		CHEBRM
C=CCc1c([O-])ccc2c(=O)cc(-c3ccccc3)oc21	ZINC000096306249	570335230	/nfs/dbraw/zinc/33/52/30/570335230.db2.gz	YFTNRAWTEMTAMW-UHFFFAOYSA-N	-1	0	278.307	3.894	40	30		CHEBRM
CCCCCCCCOCCCC(=O)CCCC(=O)[O-]	ZINC000101673714	570345394	/nfs/dbraw/zinc/34/53/94/570345394.db2.gz	ZWMPPRHFACKBEN-UHFFFAOYSA-N	-1	0	286.412	3.968	40	30		CHEBRM
O=[N+]([O-])c1cccc(/C=N/c2cccc(Cl)c2)c1[O-]	ZINC000409093963	230412119	/nfs/dbraw/zinc/41/21/19/230412119.db2.gz	BXRSJUJNGKQMDU-OVCLIPMQSA-N	-1	0	276.679	3.704	40	30		CHEBRM
CN(C)c1ccc(/C=C\C=N\N=C/c2ccccc2O)cc1	ZINC000008627683	170343230	/nfs/dbraw/zinc/34/32/30/170343230.db2.gz	WNHBKZGOPMDTJB-WHYALWOVSA-N	-1	0	293.370	3.576	40	30		CHEBRM
CCCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000001613243	260005889	/nfs/dbraw/zinc/00/58/89/260005889.db2.gz	YDNPYLGUUUUPSP-UHFFFAOYSA-N	-1	0	283.393	3.692	40	30		CHEBRM
CC[C@@H]1[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]2CC[C@@]1(C)C(=O)[O-]	ZINC000006224460	326817856	/nfs/dbraw/zinc/81/78/56/326817856.db2.gz	XTYLGTOMVGQDQC-ZNFSNMQZSA-N	-1	0	290.403	3.829	40	30		CHEBRM
CCCCCCC(=N\O)/C(=N/[O-])c1ccc(C)cc1	ZINC000005417908	519948778	/nfs/dbraw/zinc/94/87/78/519948778.db2.gz	UCNWHCAPLWVQMJ-YXLFCKQPSA-N	-1	0	262.353	3.974	40	30		CHEBRM
CC(=CC(=O)c1ccc(C)o1)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000409353095	527521666	/nfs/dbraw/zinc/52/16/66/527521666.db2.gz	GMOUKIMVNVSGFZ-PKNBQFBNSA-N	-1	0	299.326	3.793	40	30		CHEBRM
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(F)cc1	ZINC000408741623	567861008	/nfs/dbraw/zinc/86/10/08/567861008.db2.gz	RBWXVXOGZBKXEJ-ZVCOJXFSSA-N	-1	0	295.317	3.567	40	30		CHEBRM
N#Cc1cc(Cl)c(=O)[n-]c1-c1ccccc1Cl	ZINC000096510644	567897630	/nfs/dbraw/zinc/89/76/30/567897630.db2.gz	QMDQUBWBRAWDCI-UHFFFAOYSA-N	-1	0	265.099	3.633	40	30		CHEBRM
CC=C(CC)[C@@H](C)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000104120889	567916062	/nfs/dbraw/zinc/91/60/62/567916062.db2.gz	LNUNROVIWVNASP-CGGZTBSLSA-N	-1	0	270.328	3.870	40	30		CHEBRM
O=C([O-])c1ccccc1/N=C\c1ccc(Cl)cc1	ZINC000104256134	567916619	/nfs/dbraw/zinc/91/66/19/567916619.db2.gz	HUALPDCOTZUBOD-SXGWCWSVSA-N	-1	0	259.692	3.789	40	30		CHEBRM
O=C([O-])c1ccc(NC=C2Sc3ccccc3C2=O)cc1	ZINC000100445150	567927321	/nfs/dbraw/zinc/92/73/21/567927321.db2.gz	GVVPBDFQFXEAKU-NTEUORMPSA-N	-1	0	297.335	3.627	40	30		CHEBRM
O=C([O-])c1ccc(/N=C/c2ccc(Cl)s2)cc1	ZINC000408965500	567933448	/nfs/dbraw/zinc/93/34/48/567933448.db2.gz	IAQJXMGUUOMJIP-VGOFMYFVSA-N	-1	0	265.721	3.850	40	30		CHEBRM
O=[N+]([O-])c1cc(/C=N\c2ccccc2Cl)ccc1[O-]	ZINC000408904042	567933620	/nfs/dbraw/zinc/93/36/20/567933620.db2.gz	CTNCRRNLNXFFLH-NVNXTCNLSA-N	-1	0	276.679	3.704	40	30		CHEBRM
CCCCCCCOc1c(C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000001669885	567937439	/nfs/dbraw/zinc/93/74/39/567937439.db2.gz	PUSRCPAELGYJNH-UHFFFAOYSA-N	-1	0	281.308	3.642	40	30		CHEBRM
O=[N+]([O-])c1cccc(/C=N\c2ccccc2Cl)c1[O-]	ZINC000008656489	170344461	/nfs/dbraw/zinc/34/44/61/170344461.db2.gz	RRQFPWBEJXXBEI-NVNXTCNLSA-N	-1	0	276.679	3.704	40	30		CHEBRM
CCc1ccccc1/N=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000039557339	260133979	/nfs/dbraw/zinc/13/39/79/260133979.db2.gz	OVOLHATXTLUQBP-HCZVKUGISA-N	-1	0	297.354	3.852	40	30		CHEBRM
O=C(/C(Cl)=N/[O-])c1ccc(-c2ccccc2)cc1	ZINC000104033079	567915737	/nfs/dbraw/zinc/91/57/37/567915737.db2.gz	GYDDEJWKTNOAOF-PEZBUJJGSA-N	-1	0	259.692	3.563	40	30		CHEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/N=C\c1ccco1	ZINC000016919321	567874010	/nfs/dbraw/zinc/87/40/10/567874010.db2.gz	RVHIWLKGFPLUOB-DHCAGBJJSA-N	-1	0	283.114	3.745	40	30		CHEBRM
O=C(C=C([O-])C(F)(F)F)c1ccc(Cl)cc1	ZINC000100244399	567912523	/nfs/dbraw/zinc/91/25/23/567912523.db2.gz	LJCDFICWKKEBQR-WEVVVXLNSA-N	-1	0	250.603	3.527	40	30		CHEBRM
C=CCOc1c(Cl)cc(C(C)(C)C)cc1C(=O)[O-]	ZINC000225283384	567929030	/nfs/dbraw/zinc/92/90/30/567929030.db2.gz	CFDJBHLKZBAEKA-UHFFFAOYSA-N	-1	0	268.740	3.901	40	30		CHEBRM
O=C([O-])c1ccc(/N=C\c2ccc3ccccc3c2O)cc1	ZINC000100248505	230391680	/nfs/dbraw/zinc/39/16/80/230391680.db2.gz	QPXXXUZIWYCYNN-ODLFYWEKSA-N	-1	0	291.306	3.994	40	30		CHEBRM
Cc1ccc(C(=O)[O-])cc1/N=C\c1cc(C)c(O)c(C)c1	ZINC000106029521	567095302	/nfs/dbraw/zinc/09/53/02/567095302.db2.gz	NUBGAYVEKLQGGC-NVMNQCDNSA-N	-1	0	283.327	3.766	40	30		CHEBRM
N=C1SC(=Cc2ccccc2)C([O-])=C1c1nccs1	ZINC000137602428	567095471	/nfs/dbraw/zinc/09/54/71/567095471.db2.gz	DECDNUFONQVFMH-HXEMJMRBSA-N	-1	0	286.381	3.561	40	30		CHEBRM
CC(=CC(=O)c1ccccc1)Nc1ccc(C(=O)[O-])cc1	ZINC000032100294	567885433	/nfs/dbraw/zinc/88/54/33/567885433.db2.gz	MXXBKYNQMIFKGA-VAWYXSNFSA-N	-1	0	281.311	3.583	40	30		CHEBRM
Cc1ccc(C(=O)C=CNc2ccccc2C(=O)[O-])cc1	ZINC000006255929	567938485	/nfs/dbraw/zinc/93/84/85/567938485.db2.gz	VJJNXNVWNAZLNU-ZHACJKMWSA-N	-1	0	281.311	3.502	40	30		CHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccccc2Cl)c1	ZINC000083328037	178381156	/nfs/dbraw/zinc/38/11/56/178381156.db2.gz	YZCQQNICPSCESH-NVNXTCNLSA-N	-1	0	276.679	3.704	40	30		CHEBRM
Cc1ccc(NN=Cc2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000005163487	170072738	/nfs/dbraw/zinc/07/27/38/170072738.db2.gz	PRCXRERQAJTNTE-RQZCQDPDSA-N	-1	0	288.734	3.793	40	30		CHEBRM
O=C([O-])c1ccc(/N=C/c2cccn2-c2ccccc2)cc1	ZINC000009265146	170369377	/nfs/dbraw/zinc/36/93/77/170369377.db2.gz	QPPIKDYGDLOZSN-CPNJWEJPSA-N	-1	0	290.322	3.926	40	30		CHEBRM
O/N=C/c1ccc(OCc2ccccc2)cc1Cl	ZINC000096331726	333208251	/nfs/dbraw/zinc/20/82/51/333208251.db2.gz	FFSWMBAOFSINIW-CXUHLZMHSA-N	-1	0	261.708	3.727	40	30		CHEBRM
Cc1ccccc1/N=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000408855656	534795280	/nfs/dbraw/zinc/79/52/80/534795280.db2.gz	FTXWGJJFAQFEBQ-FHNWIRHTSA-N	-1	0	283.327	3.598	40	30		CHEBRM
CC(=CC(=O)c1ccc(C)cc1)Nc1ccccc1C(=O)[O-]	ZINC000409181364	527521061	/nfs/dbraw/zinc/52/10/61/527521061.db2.gz	BHOGZPQXOOKXQK-ACCUITESSA-N	-1	0	295.338	3.892	40	30		CHEBRM
O=[N+]([O-])c1cccc(/C=N\c2ccc(Cl)cc2)c1[O-]	ZINC000110792889	567096409	/nfs/dbraw/zinc/09/64/09/567096409.db2.gz	BIUQERQHTDOBQR-NVNXTCNLSA-N	-1	0	276.679	3.704	40	30		CHEBRM
O/N=C(\CSc1nc2ccccc2[nH]1)c1ccccc1	ZINC000000034256	567901604	/nfs/dbraw/zinc/90/16/04/567901604.db2.gz	PDPZKRYVVZSRQI-NBVRZTHBSA-N	-1	0	283.356	3.534	40	30		CHEBRM
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=CNc1ccccc1C(=O)[O-]	ZINC000100364401	567912984	/nfs/dbraw/zinc/91/29/84/567912984.db2.gz	HQZFNBAHDOKMNO-HNJBDOAZSA-N	-1	0	299.370	3.706	40	30		CHEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc(F)c(Cl)c2)c1[O-]	ZINC000409107971	567934534	/nfs/dbraw/zinc/93/45/34/567934534.db2.gz	UNLTWYBSEDEPHS-FRKPEAEDSA-N	-1	0	294.669	3.844	40	30		CHEBRM
N=C1SC(=Cc2cccs2)C([O-])=C1c1nccs1	ZINC000035352886	570216489	/nfs/dbraw/zinc/21/64/89/570216489.db2.gz	GXLMVTKKDXOELS-QEDIJHPOSA-N	-1	0	292.410	3.622	40	30		CHEBRM
Cc1ccc(C)c(/N=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1	ZINC000408860239	230410411	/nfs/dbraw/zinc/41/04/11/230410411.db2.gz	ZBWKTXUGBXBLRH-KVMVOAJRSA-N	-1	0	297.354	3.906	40	30		CHEBRM
COc1ccc(/C=N/c2ccc(/C=C\C(=O)[O-])cc2)cc1	ZINC000100013330	256840379	/nfs/dbraw/zinc/84/03/79/256840379.db2.gz	UIELBEHBZKVMEI-ROFRLSBZSA-N	-1	0	281.311	3.544	40	30		CHEBRM
Cc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1C	ZINC000409101971	261136868	/nfs/dbraw/zinc/13/68/68/261136868.db2.gz	CDPKLNFWOPHULG-CXUHLZMHSA-N	-1	0	270.288	3.668	40	30		CHEBRM
N#C[C@@H](C(=S)[S-])c1ncc(C(F)(F)F)cc1Cl	ZINC000575623578	566948134	/nfs/dbraw/zinc/94/81/34/566948134.db2.gz	LOWBRUHLENFMNJ-RXMQYKEDSA-N	-1	0	296.726	3.618	40	30		CHEBRM
C=C1C(=O)C(=O)C(CCCCCCCCC)=C([O-])C1O	ZINC000001564774	566956574	/nfs/dbraw/zinc/95/65/74/566956574.db2.gz	STCQCMDMLGSSTG-UHFFFAOYSA-N	-1	0	280.364	3.923	40	30		CHEBRM
CC(C)c1ccc(C([O-])=CC(=O)c2ccncc2)cc1	ZINC000103713014	566958382	/nfs/dbraw/zinc/95/83/82/566958382.db2.gz	WSQJOZHHRYIJQZ-BOPFTXTBSA-N	-1	0	267.328	3.987	40	30		CHEBRM
O=C([O-])c1cc(N=NC2CCCCC2)ccc1Cl	ZINC000013337500	567866106	/nfs/dbraw/zinc/86/61/06/567866106.db2.gz	BZCCLKVPSACPHG-UHFFFAOYSA-N	-1	0	266.728	3.770	40	30		CHEBRM
O=C([O-])COc1ccc(/C=N\C2CCCCC2)cc1Cl	ZINC000408852291	567933055	/nfs/dbraw/zinc/93/30/55/567933055.db2.gz	RVUSFWIKLCUJIH-MFOYZWKCSA-N	-1	0	295.766	3.555	40	30		CHEBRM