smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)/C=C/c2oc3ccccc3c2Cl)c([O-])c1	ZINC000004771065	181149700	/nfs/dbraw/zinc/14/97/00/181149700.db2.gz	QURDEQOXYDXRBO-CMDGGOBGSA-N	-1	0	312.752	4.996	50	30		DJEARM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1cccc(Cl)c1	ZINC000005996171	181304118	/nfs/dbraw/zinc/30/41/18/181304118.db2.gz	ZWYLPQIGXRPQIG-LICLKQGHSA-N	-1	0	320.849	4.524	50	30		DJEARM
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)[O-]	ZINC000031158354	520852725	/nfs/dbraw/zinc/85/27/25/520852725.db2.gz	JJGYRVZPUJUFTR-DKFVKDFSSA-N	-1	0	320.473	4.855	50	30		DJEARM
CC(C)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000001322049	563281638	/nfs/dbraw/zinc/28/16/38/563281638.db2.gz	BHSPDYJZXWFFIB-XDHOZWIPSA-N	-1	0	322.437	4.613	50	30		DJEARM
Cc1cc(O)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1C	ZINC000000224030	563579195	/nfs/dbraw/zinc/57/91/95/563579195.db2.gz	WAHDKGRUKZFKRW-CNHKJKLMSA-N	-1	0	310.180	4.772	50	30		DJEARM
N#CC(=C([O-])c1coc2ccccc12)c1nc2ccccc2s1	ZINC000089866678	563911721	/nfs/dbraw/zinc/91/17/21/563911721.db2.gz	FEHFJRUNFDEQJI-GFCCVEGCSA-N	-1	0	318.357	4.533	50	30		DJEARM
CCCSc1sc(C(=O)[O-])c(-c2cccs2)c1C#N	ZINC000003467106	181024287	/nfs/dbraw/zinc/02/42/87/181024287.db2.gz	CYORPVMAVXDPAO-UHFFFAOYSA-N	-1	0	309.437	4.549	50	30		DJEARM
[O-]/N=C1\C[C@H](c2ccccc2)Oc2c(Cl)cc(Cl)cc21	ZINC000006061970	181310203	/nfs/dbraw/zinc/31/02/03/181310203.db2.gz	UEXCNFZLBCZQAR-QFGUUYLXSA-N	-1	0	308.164	4.696	50	30		DJEARM
S=c1[n-]nc(C2CCCCC2)n1N=CC=Cc1ccccc1	ZINC000006228019	181321002	/nfs/dbraw/zinc/32/10/02/181321002.db2.gz	VCVALGNZBFXITM-CVUDBVLYSA-N	-1	0	312.442	4.536	50	30		DJEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(-c3ccccc3)cc2)c1	ZINC000000062683	563212397	/nfs/dbraw/zinc/21/23/97/563212397.db2.gz	NVNZWJBSAINDMF-DEDYPNTBSA-N	-1	0	318.332	4.718	50	30		DJEARM
O=C([O-])c1ccc(/N=C/c2ccc(-c3cccs3)s2)cc1	ZINC000004948281	563450280	/nfs/dbraw/zinc/45/02/80/563450280.db2.gz	RZBCFGOCVHRULS-LICLKQGHSA-N	-1	0	313.403	4.925	50	30		DJEARM
Cc1ccc(/N=C/c2ccc([O-])c(Br)c2)c(C)c1	ZINC000004739373	181145234	/nfs/dbraw/zinc/14/52/34/181145234.db2.gz	RJTDBXGLHSJJPQ-RQZCQDPDSA-N	-1	0	304.187	4.522	50	30		DJEARM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2cccnc2c1	ZINC000013281330	563421200	/nfs/dbraw/zinc/42/12/00/563421200.db2.gz	OPTRKIUBBHQFCB-AWQFTUOYSA-N	-1	0	317.175	4.998	50	30		DJEARM
[O-]/N=C1\C[C@@H](c2ccccc2)Oc2c(Cl)cc(Cl)cc21	ZINC000006061853	181310157	/nfs/dbraw/zinc/31/01/57/181310157.db2.gz	UEXCNFZLBCZQAR-RAOBZKRQSA-N	-1	0	308.164	4.696	50	30		DJEARM
CCCCCCCC/N=C(\C)c1c([O-])c2ccccc2oc1=O	ZINC000101156827	563654007	/nfs/dbraw/zinc/65/40/07/563654007.db2.gz	ICDHDINATQIIRP-XSFVSMFZSA-N	-1	0	315.413	4.668	50	30		DJEARM
CC1(C)C=Cc2c([O-])c(C(=O)/C=C/c3cccs3)ccc2O1	ZINC000585672034	563927469	/nfs/dbraw/zinc/92/74/69/563927469.db2.gz	OMVURDVBYIJCOI-FNORWQNLSA-N	-1	0	312.390	4.534	50	30		DJEARM
CC(C)(C)c1ccc(-c2[n-]c3ccccc3c(=O)c2C#N)cc1	ZINC000095346092	563931204	/nfs/dbraw/zinc/93/12/04/563931204.db2.gz	RUOMYPVYYBGSBP-UHFFFAOYSA-N	-1	0	302.377	4.777	50	30		DJEARM
Oc1ccccc1C=Nc1ccc(Br)c(Cl)c1	ZINC000252460117	568413667	/nfs/dbraw/zinc/41/36/67/568413667.db2.gz	BTIKBZCOYZPJEX-UHFFFAOYSA-N	-1	0	310.578	4.559	50	30		DJEARM
Cc1c(/C=C/C(=O)c2ccc(C)cc2[O-])oc2cc(C)ccc12	ZINC000004026016	181063632	/nfs/dbraw/zinc/06/36/32/181063632.db2.gz	JGYYXKJKMJZWPE-CMDGGOBGSA-N	-1	0	306.361	4.960	50	30	biogenic	DJEARM
COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c([O-])c1	ZINC000004910762	181172366	/nfs/dbraw/zinc/17/23/66/181172366.db2.gz	DWILKFPZOKJXMT-XVNBXDOJSA-N	-1	0	323.175	4.604	50	30		DJEARM
[O-]/N=C(/c1ccc(F)cc1)[C@H]1C[C@H]1c1c(F)cccc1Cl	ZINC000005670416	181270147	/nfs/dbraw/zinc/27/01/47/181270147.db2.gz	JCXMNOYJSMDBBD-RFNQNWDASA-N	-1	0	307.727	4.600	50	30		DJEARM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1cc2ccccc2cn1	ZINC000000174025	563227849	/nfs/dbraw/zinc/22/78/49/563227849.db2.gz	REBPETUGMHCBHC-AWQFTUOYSA-N	-1	0	317.175	4.998	50	30		DJEARM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccccc1Cl	ZINC000001306192	563281181	/nfs/dbraw/zinc/28/11/81/563281181.db2.gz	QGMZQDSFJWFOAK-LICLKQGHSA-N	-1	0	320.849	4.524	50	30		DJEARM
CCc1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000000224002	563579540	/nfs/dbraw/zinc/57/95/40/563579540.db2.gz	CQSDCWINAYHZPI-QGMBQPNBSA-N	-1	0	310.180	4.718	50	30		DJEARM
N#CC(=C([O-])c1ccsc1)c1nc2cc(Cl)ccc2s1	ZINC000076606793	185026526	/nfs/dbraw/zinc/02/65/26/185026526.db2.gz	DIXNCYUDMWNDEZ-SNVBAGLBSA-N	-1	0	318.810	4.501	50	30		DJEARM
CCCCCCCCC(=O)NCCCCCCCCC(=O)[O-]	ZINC000070665692	190909704	/nfs/dbraw/zinc/90/97/04/190909704.db2.gz	LBLRFMGPVGKMRT-UHFFFAOYSA-N	-1	0	313.482	4.669	50	30	biogenic	DJEARM
N#Cc1c(-c2ccccc2)cc(-c2ccc3ccccc3c2)[n-]c1=O	ZINC000004705400	181140342	/nfs/dbraw/zinc/14/03/42/181140342.db2.gz	ZIIRXXYDIKHPEQ-UHFFFAOYSA-N	-1	0	322.367	4.734	50	30		DJEARM
CCCCCCCCCCCCSc1nnc(C)c(=O)[n-]1	ZINC000097957203	563504027	/nfs/dbraw/zinc/50/40/27/563504027.db2.gz	TZNSMXWJROEQHD-UHFFFAOYSA-N	-1	0	311.495	4.899	50	30		DJEARM
CCCCCCCC[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000003148155	563323297	/nfs/dbraw/zinc/32/32/97/563323297.db2.gz	FJSRTVWAFIIFTI-RDJZCZTQSA-N	-1	0	317.429	4.710	50	30		DJEARM
COc1ccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000004252546	181088543	/nfs/dbraw/zinc/08/85/43/181088543.db2.gz	GTHYQSNCONPEFQ-QPJJXVBHSA-N	-1	0	323.175	4.604	50	30		DJEARM
CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)[O-]	ZINC000031158350	520852687	/nfs/dbraw/zinc/85/26/87/520852687.db2.gz	JJGYRVZPUJUFTR-UHWHQUHESA-N	-1	0	320.473	4.855	50	30		DJEARM
Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(=O)[n-]2)cc1	ZINC000000068950	563518592	/nfs/dbraw/zinc/51/85/92/563518592.db2.gz	CPZLBYAFBYFGJB-UHFFFAOYSA-N	-1	0	320.779	4.542	50	30		DJEARM
[O-]c1c(Cl)cc(Cl)cc1C=Nc1ccc2ccccc2n1	ZINC000252428686	563883808	/nfs/dbraw/zinc/88/38/08/563883808.db2.gz	VKUUUXCLDREJCR-UHFFFAOYSA-N	-1	0	317.175	4.998	50	30		DJEARM
[O-]/N=C(/c1ccc(F)cc1)[C@@H]1C[C@H]1c1c(F)cccc1Cl	ZINC000005670419	181270153	/nfs/dbraw/zinc/27/01/53/181270153.db2.gz	JCXMNOYJSMDBBD-XLYAEEFZSA-N	-1	0	307.727	4.600	50	30		DJEARM
Cc1ccc(-c2cc(-c3ccc(C)cc3C)c(C#N)c(=O)[n-]2)cc1	ZINC000013920204	181909677	/nfs/dbraw/zinc/90/96/77/181909677.db2.gz	KTBUEFNCPBUYKA-UHFFFAOYSA-N	-1	0	314.388	4.506	50	30		DJEARM
N#Cc1ccc(-c2cc(C(=O)[O-])c3c(ccc4ccccc43)n2)cc1	ZINC000002942631	563941015	/nfs/dbraw/zinc/94/10/15/563941015.db2.gz	JZICSVPDIARABX-UHFFFAOYSA-N	-1	0	324.339	4.625	50	30		DJEARM
N#Cc1c(=O)[n-]c(-c2cccs2)cc1-c1ccc(Cl)cc1	ZINC000003623364	181042449	/nfs/dbraw/zinc/04/24/49/181042449.db2.gz	IWIZJXPOCCACCY-UHFFFAOYSA-N	-1	0	312.781	4.708	50	30		DJEARM
N#CCc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000000067102	563212875	/nfs/dbraw/zinc/21/28/75/563212875.db2.gz	JZKGIRVWONVQMJ-DJKKODMXSA-N	-1	0	305.164	4.516	50	30		DJEARM
[O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1ccc(Cl)cc1	ZINC000000067479	563212922	/nfs/dbraw/zinc/21/29/22/563212922.db2.gz	MEOKIEJUGIKDEY-QGMBQPNBSA-N	-1	0	314.599	4.972	50	30		DJEARM
CCCCCCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000003148156	563323066	/nfs/dbraw/zinc/32/30/66/563323066.db2.gz	FJSRTVWAFIIFTI-WBVHZDCISA-N	-1	0	317.429	4.710	50	30		DJEARM
CCCCCCCOc1ccc(C(=O)CCCCC(=O)[O-])cc1	ZINC000100327252	563549793	/nfs/dbraw/zinc/54/97/93/563549793.db2.gz	BUPLZZJJCCCLNR-UHFFFAOYSA-N	-1	0	320.429	4.864	50	30		DJEARM
[O-]/N=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1	ZINC000000138445	563740589	/nfs/dbraw/zinc/74/05/89/563740589.db2.gz	DDTOPKBJUZVLHL-CGOBSMCZSA-N	-1	0	323.192	4.792	50	30		DJEARM
N#CC(=C([O-])c1ccsc1)c1nc2cc(Cl)ccc2s1	ZINC000076606790	185026427	/nfs/dbraw/zinc/02/64/27/185026427.db2.gz	DIXNCYUDMWNDEZ-JTQLQIEISA-N	-1	0	318.810	4.501	50	30		DJEARM
CCCCCCCC/N=C(/C)c1c([O-])c2ccccc2oc1=O	ZINC000001952776	563297744	/nfs/dbraw/zinc/29/77/44/563297744.db2.gz	ICDHDINATQIIRP-ZHZULCJRSA-N	-1	0	315.413	4.668	50	30	biogenic	DJEARM
S=C(Nc1ccccc1)Nc1ccc2[n-]c(=S)sc2c1	ZINC000002495704	563449054	/nfs/dbraw/zinc/44/90/54/563449054.db2.gz	PXMPNRFOTDLVBL-UHFFFAOYSA-N	-1	0	317.464	4.614	50	30		DJEARM
Cc1cccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2[O-])c1	ZINC000015135114	563789791	/nfs/dbraw/zinc/78/97/91/563789791.db2.gz	UGFSXXRMVMHOTB-QGMBQPNBSA-N	-1	0	318.760	4.630	50	30		DJEARM
CC(C)(C)c1cc(Cl)c([O-])c(/N=C/c2ccccc2O)c1	ZINC000001953805	563886123	/nfs/dbraw/zinc/88/61/23/563886123.db2.gz	KFBVMXGVKKLWKW-VXLYETTFSA-N	-1	0	303.789	4.799	50	30		DJEARM
N#CC(=C([O-])c1coc2ccccc12)c1nc2ccccc2s1	ZINC000089866679	563911693	/nfs/dbraw/zinc/91/16/93/563911693.db2.gz	FEHFJRUNFDEQJI-LBPRGKRZSA-N	-1	0	318.357	4.533	50	30		DJEARM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(-c3ccccc3)cc2)c1	ZINC000252622448	563918855	/nfs/dbraw/zinc/91/88/55/563918855.db2.gz	NVNZWJBSAINDMF-UHFFFAOYSA-N	-1	0	318.332	4.718	50	30		DJEARM
Cc1ccc(-c2cc(-c3ccccc3Cl)[n-]c(=O)c2C#N)cc1	ZINC000004002337	181061415	/nfs/dbraw/zinc/06/14/15/181061415.db2.gz	UVUFOWYQAYOLAZ-UHFFFAOYSA-N	-1	0	320.779	4.542	50	30		DJEARM
COc1ccc(C(=O)/C=C/c2oc3cc(C)ccc3c2C)c([O-])c1	ZINC000004012698	181062370	/nfs/dbraw/zinc/06/23/70/181062370.db2.gz	PIBCCHFCJFFQPW-CMDGGOBGSA-N	-1	0	322.360	4.660	50	30	biogenic	DJEARM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccc(Cl)cc1	ZINC000004898928	181170476	/nfs/dbraw/zinc/17/04/76/181170476.db2.gz	HUCLVAVFELXLDO-LICLKQGHSA-N	-1	0	320.849	4.524	50	30		DJEARM
CCCCCCCCCCCCCCC[C@H](O)S(=O)(=O)[O-]	ZINC000059681874	184140123	/nfs/dbraw/zinc/14/01/23/184140123.db2.gz	ZVMPSYSRUJVRMP-MRXNPFEDSA-N	-1	0	322.511	4.674	50	30		DJEARM
CC(=O)c1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000000058396	563212206	/nfs/dbraw/zinc/21/22/06/563212206.db2.gz	RDOHNNVUEOTGON-QGMBQPNBSA-N	-1	0	308.164	4.652	50	30		DJEARM
CCCCCCCCCCCCCCCC(=O)NCC(=O)[O-]	ZINC000008689962	563349373	/nfs/dbraw/zinc/34/93/73/563349373.db2.gz	KVTFEOAKFFQCCX-UHFFFAOYSA-N	-1	0	313.482	4.669	50	30	endogenous,in-man	DJEARM
[O-]c1cccc2sc(/N=C/c3c(O)ccc4ccccc43)nc21	ZINC000000138939	563572552	/nfs/dbraw/zinc/57/25/52/563572552.db2.gz	DTEBBJIEEYVVNJ-VXLYETTFSA-N	-1	0	320.373	4.611	50	30		DJEARM
Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2[O-])cc1	ZINC000015135106	563789723	/nfs/dbraw/zinc/78/97/23/563789723.db2.gz	VUFWQFGQNYLUNG-QGMBQPNBSA-N	-1	0	318.760	4.630	50	30		DJEARM
CCCCCCCC[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000003148154	180985546	/nfs/dbraw/zinc/98/55/46/180985546.db2.gz	FJSRTVWAFIIFTI-NVXWUHKLSA-N	-1	0	317.429	4.710	50	30		DJEARM
CCCCCCCCSc1nnc(-c2ccccc2)c(=O)[n-]1	ZINC000097957224	193771941	/nfs/dbraw/zinc/77/19/41/193771941.db2.gz	JPUPVDOEVSHIMV-UHFFFAOYSA-N	-1	0	317.458	4.697	50	30		DJEARM
CCCCCCCCCCCCCCC[C@@H](O)S(=O)(=O)[O-]	ZINC000059681871	184139885	/nfs/dbraw/zinc/13/98/85/184139885.db2.gz	ZVMPSYSRUJVRMP-INIZCTEOSA-N	-1	0	322.511	4.674	50	30		DJEARM
O=C([O-])CCCCCCCCC#CC#CCCc1ccccc1	ZINC000003163688	527577739	/nfs/dbraw/zinc/57/77/39/527577739.db2.gz	NQDAFYLJDBZAAN-UHFFFAOYSA-N	-1	0	310.437	4.831	50	30		DJEARM
Cc1cc(C)c(O)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000000300595	563586935	/nfs/dbraw/zinc/58/69/35/563586935.db2.gz	KUMHKXGDFOMVKL-CNHKJKLMSA-N	-1	0	310.180	4.772	50	30		DJEARM
CC(=O)c1ccccc1N=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000001045282	563275267	/nfs/dbraw/zinc/27/52/67/563275267.db2.gz	XDTBOHNSOPXBBK-QGMBQPNBSA-N	-1	0	308.164	4.652	50	30		DJEARM
CCn1c2ccccc2nc1/N=C/c1c(O)ccc2ccccc21	ZINC000000439222	563614584	/nfs/dbraw/zinc/61/45/84/563614584.db2.gz	UAASIEWOVVGLQL-FYJGNVAPSA-N	-1	0	315.376	4.666	50	30		DJEARM
N#Cc1c(=O)[n-]c(-c2ccc(F)cc2)cc1-c1ccc(Cl)cc1	ZINC000001403323	563818502	/nfs/dbraw/zinc/81/85/02/563818502.db2.gz	GRSMFZMBUBGBGJ-UHFFFAOYSA-N	-1	0	324.742	4.785	50	30		DJEARM
[O-]/N=C(/c1ccc(F)cc1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl	ZINC000013143095	563929312	/nfs/dbraw/zinc/92/93/12/563929312.db2.gz	JCXMNOYJSMDBBD-PYHFRIFQSA-N	-1	0	307.727	4.600	50	30		DJEARM
C=CCn1c(-c2ccccc2)c(C)sc1=Nc1cccc(O)c1	ZINC000334156929	563937578	/nfs/dbraw/zinc/93/75/78/563937578.db2.gz	VIBBXKBXPKHQQI-UHFFFAOYSA-N	-1	0	322.433	4.649	50	30		DJEARM
CCCCCCCOc1ccc(C(=O)c2ccccc2)c([O-])c1	ZINC000100730598	563962081	/nfs/dbraw/zinc/96/20/81/563962081.db2.gz	HRFNCVKOUIZYTL-UHFFFAOYSA-N	-1	0	312.409	4.972	50	30		DJEARM
Cc1cc([O-])c(C(=O)/C=C/c2ccc(Cl)cc2)cc1Cl	ZINC000004252547	181088600	/nfs/dbraw/zinc/08/86/00/181088600.db2.gz	NUZNWCMHYPHALD-QPJJXVBHSA-N	-1	0	307.176	4.904	50	30		DJEARM
O=C([O-])c1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1	ZINC000005129053	181207032	/nfs/dbraw/zinc/20/70/32/181207032.db2.gz	PZCPLHDBICCEIW-FPYGCLRLSA-N	-1	0	321.159	4.588	50	30		DJEARM
CC(/C=C/C1=C(C)C(=O)CCC1(C)C)=C\C=C\C(C)=C/C(=O)[O-]	ZINC000022061780	182307180	/nfs/dbraw/zinc/30/71/80/182307180.db2.gz	GGCUJPCCTQNTJF-FAOQNJJDSA-N	-1	0	314.425	4.782	50	30	biogenic,in-vitro	DJEARM
CCCCCCCCCCCCCCCOS(=O)(=O)[O-]	ZINC000101684043	563558253	/nfs/dbraw/zinc/55/82/53/563558253.db2.gz	COUMKTRLCGRAAA-UHFFFAOYSA-N	-1	0	308.484	4.897	50	30		DJEARM
C=CCn1c(=O)c2c([n-]c1=S)sc(C)c2-c1ccccc1	ZINC000253496632	563814422	/nfs/dbraw/zinc/81/44/22/563814422.db2.gz	ABEQGDVGMIZVDB-UHFFFAOYSA-N	-1	0	314.435	4.694	50	30		DJEARM
CC(=O)c1cccc(N=Cc2cc(Cl)cc(Cl)c2[O-])c1	ZINC000252462705	563915329	/nfs/dbraw/zinc/91/53/29/563915329.db2.gz	VNAYYFPJOUJOGK-UHFFFAOYSA-N	-1	0	308.164	4.652	50	30		DJEARM
Cc1ccc(/N=C/c2cc(Br)cc(Cl)c2[O-])cc1	ZINC000013126883	563929213	/nfs/dbraw/zinc/92/92/13/563929213.db2.gz	FDTFHKCLUYOHHY-CAOOACKPSA-N	-1	0	324.605	4.867	50	30		DJEARM
CC(=NO)c1sc(Nc2ccc(Cl)cc2Cl)nc1C	ZINC000252428174	568417035	/nfs/dbraw/zinc/41/70/35/568417035.db2.gz	SANLGAUFQDQWOT-UHFFFAOYSA-N	-1	0	316.213	4.700	50	30		DJEARM
[O-]c1c(Cl)cc(Br)cc1/C=N/c1ccccc1	ZINC000000226616	563579659	/nfs/dbraw/zinc/57/96/59/563579659.db2.gz	WXKOVRUAIGZZHB-LZYBPNLTSA-N	-1	0	310.578	4.559	50	30		DJEARM
[O-]/N=C(/c1ccc(F)cc1)[C@H]1C[C@@H]1c1c(F)cccc1Cl	ZINC000013143096	563929279	/nfs/dbraw/zinc/92/92/79/563929279.db2.gz	JCXMNOYJSMDBBD-ZXXLURAQSA-N	-1	0	307.727	4.600	50	30		DJEARM
CCOc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000086040929	563521709	/nfs/dbraw/zinc/52/17/09/563521709.db2.gz	GGHBRFNYONCUEI-GIJQJNRQSA-N	-1	0	310.180	4.848	50	30		DJEARM
O=[N+]([O-])c1cccc(/C=N/c2ccccc2-c2ccccc2)c1[O-]	ZINC000004705048	181140534	/nfs/dbraw/zinc/14/05/34/181140534.db2.gz	RCJFNKKHPNDLDC-DEDYPNTBSA-N	-1	0	318.332	4.718	50	30		DJEARM
CCCCCCCCCCOC(=O)c1ccccc1C(=O)[O-]	ZINC000002923789	520021974	/nfs/dbraw/zinc/02/19/74/520021974.db2.gz	FEFCILUKYGHITK-UHFFFAOYSA-N	-1	0	306.402	4.682	50	30	biogenic	DJEARM
CC(/C=C/C1=C(C)C(=O)CCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-]	ZINC000013415989	571701251	/nfs/dbraw/zinc/70/12/51/571701251.db2.gz	GGCUJPCCTQNTJF-FRCNGJHJSA-N	-1	0	314.425	4.782	50	30	endogenous,world	DJEARM
CC(=O)c1cccc(N=Cc2cc(Cl)cc(Cl)c2[O-])c1	ZINC000000046325	563211804	/nfs/dbraw/zinc/21/18/04/563211804.db2.gz	VNAYYFPJOUJOGK-QGMBQPNBSA-N	-1	0	308.164	4.652	50	30		DJEARM
CCCCCCCC[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000003148153	563322478	/nfs/dbraw/zinc/32/24/78/563322478.db2.gz	FJSRTVWAFIIFTI-DOTOQJQBSA-N	-1	0	317.429	4.710	50	30		DJEARM
Cc1cc(O)c(/C=N/c2cc(Cl)ccc2O)c(C)c1Cl	ZINC000000059435	563515905	/nfs/dbraw/zinc/51/59/05/563515905.db2.gz	JKLMQQLAMWBLRD-CNHKJKLMSA-N	-1	0	310.180	4.772	50	30		DJEARM
CN(C)c1ccc(/C=C/C(=O)c2ccc3ccccc3c2[O-])cc1	ZINC000004136105	181077185	/nfs/dbraw/zinc/07/71/85/181077185.db2.gz	VXPHVHMTDLBAKR-NTEUORMPSA-N	-1	0	317.388	4.508	50	30		DJEARM
Cc1cccc(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000013126885	563379015	/nfs/dbraw/zinc/37/90/15/563379015.db2.gz	YLCMSTCJJFKXLY-CAOOACKPSA-N	-1	0	324.605	4.867	50	30		DJEARM
C=C(C)COc1ccc2oc(-c3ccccc3)c(C(=O)[O-])c2c1	ZINC000000083676	563524640	/nfs/dbraw/zinc/52/46/40/563524640.db2.gz	MLLZKUQZGFNQNG-UHFFFAOYSA-N	-1	0	308.333	4.753	50	30	biogenic	DJEARM