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#N)C(=O)NCc2ccccc2)cc1C ZINC000058270075 184098332 /nfs/dbraw/zinc/09/83/32/184098332.db2.gz LYJFZBSHVUFFKJ-QGZVFWFLSA-N 0 2 306.365 3.783 50 30 DHEALN CCN(CC)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000055419933 563475062 /nfs/dbraw/zinc/47/50/62/563475062.db2.gz FTFJKDPPUAKRPI-LDADJPATSA-N 0 2 313.357 3.897 50 30 DHEALN COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000015133680 563789804 /nfs/dbraw/zinc/78/98/04/563789804.db2.gz XGNNDSJWMLSHMO-LZYBPNLTSA-N 0 2 306.705 3.713 50 30 DHEALN Cc1ccc(C(O)=C(C#N)C(=O)NCc2ccccc2)cc1C ZINC000082076684 192354301 /nfs/dbraw/zinc/35/43/01/192354301.db2.gz LYJFZBSHVUFFKJ-KRWDZBQOSA-N 0 2 306.365 3.783 50 30 DHEALN O=[N+]([O-])c1ccc(O)c(/N=C/c2c(O)ccc3ccccc23)c1 ZINC000019800771 182151577 /nfs/dbraw/zinc/15/15/77/182151577.db2.gz XRGZYPNTZNCLGR-VCHYOVAHSA-N 0 2 308.293 3.910 50 30 DHEALN CC(C)(C)c1csc(N=NCc2cc([N+](=O)[O-])ccc2O)n1 ZINC000020131251 425792313 /nfs/dbraw/zinc/79/23/13/425792313.db2.gz COWNZIQIFTVOPM-VIZOYTHASA-N 0 2 320.374 3.500 50 30 DHEALN COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@@H]3C)n2)cc1 ZINC000058281540 523169173 /nfs/dbraw/zinc/16/91/73/523169173.db2.gz OIHSRTOLNKTGEU-ZLKJLUDKSA-N 0 2 312.394 3.651 50 30 DHEALN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccoc3)n2)cc1 ZINC000058179747 523169468 /nfs/dbraw/zinc/16/94/68/523169468.db2.gz XIPBKIHDNHPMHD-AWEZNQCLSA-N 0 2 324.361 3.902 50 30 DHEALN Cc1csc(C(C#N)C(=O)c2csc(-c3ccoc3)n2)n1 ZINC000071888601 563293364 /nfs/dbraw/zinc/29/33/64/563293364.db2.gz ITHLYVASAUBGQT-JTQLQIEISA-N 0 2 315.379 3.658 50 30 DHEALN Cc1csc([C@@H](C#N)C(=O)c2csc(-c3ccoc3)n2)n1 ZINC000071888601 563293370 /nfs/dbraw/zinc/29/33/70/563293370.db2.gz ITHLYVASAUBGQT-JTQLQIEISA-N 0 2 315.379 3.658 50 30 DHEALN Cc1[nH]c2ccccc2c1C(O)=C(C#N)C(=O)[C@@H]1CC=CCC1 ZINC000103513053 563668988 /nfs/dbraw/zinc/66/89/88/563668988.db2.gz GHFGBSGSVOYXJT-UKRRQHHQSA-N 0 2 306.365 3.724 50 30 DHEALN C=CCN(Cc1cccs1)Cc1nc(=O)c2sccc2[nH]1 ZINC000019540566 518791400 /nfs/dbraw/zinc/79/14/00/518791400.db2.gz CQOSQORZXLIPGE-UHFFFAOYSA-N 0 2 317.439 3.647 50 30 DHEALN N#CC(C(=O)CCc1ccc(F)cc1)c1nc2ccccc2o1 ZINC000041544242 526504932 /nfs/dbraw/zinc/50/49/32/526504932.db2.gz BRXKVRTXRQWCEY-CQSZACIVSA-N 0 2 308.312 3.776 50 30 DHEALN N#C[C@H](C(=O)CCc1ccc(F)cc1)c1nc2ccccc2o1 ZINC000041544242 526504937 /nfs/dbraw/zinc/50/49/37/526504937.db2.gz BRXKVRTXRQWCEY-CQSZACIVSA-N 0 2 308.312 3.776 50 30 DHEALN O/N=C/c1c2c(cc(Br)c1O)oc1c2CCCC1 ZINC000000201763 563230542 /nfs/dbraw/zinc/23/05/42/563230542.db2.gz QBOZQSQRHBUPNU-GIDUJCDVSA-N 0 2 310.147 3.588 50 30 DHEALN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C=O)c1ccccc1 ZINC000245239288 563780512 /nfs/dbraw/zinc/78/05/12/563780512.db2.gz HFGGIUMQUFGSLF-VDHUWJSZSA-N 0 2 302.414 3.973 50 30 DHEALN C/C(=N\O)c1c(OCc2ccccc2)ccc2c(C)cc(=O)oc21 ZINC000000485602 563887226 /nfs/dbraw/zinc/88/72/26/563887226.db2.gz XQSFXTUFJWPODB-DEDYPNTBSA-N 0 2 323.348 3.879 50 30 biogenic DHEALN Cn1cc(C(=O)C(C#N)c2nc3ccccc3o2)c2ccccc21 ZINC000054734637 563918930 /nfs/dbraw/zinc/91/89/30/563918930.db2.gz RDRJVQZLXRRMLG-CYBMUJFWSA-N 0 2 315.332 3.810 50 30 DHEALN O=C1c2ccccc2SC/C1=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000096792537 185388605 /nfs/dbraw/zinc/38/86/05/185388605.db2.gz XCFPYRDZIBBPMD-XFFZJAGNSA-N 0 2 313.334 3.672 50 30 DHEALN O=[N+]([O-])c1ccc(O)c(/C=N/N=C2/C[C@@H](c3ccccc3)N=N2)c1 ZINC000015856283 182021835 /nfs/dbraw/zinc/02/18/35/182021835.db2.gz OBQPOCLELMOPJG-QFMDIYGRSA-N 0 2 323.312 3.630 50 30 DHEALN Cc1csc([C@@H](C#N)C(=O)CCc2cccc(F)c2F)n1 ZINC000071851856 563462133 /nfs/dbraw/zinc/46/21/33/563462133.db2.gz JBGZQOUIHADEAN-NSHDSACASA-N 0 2 306.337 3.539 50 30 DHEALN CCSc1ccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000076100126 563912537 /nfs/dbraw/zinc/91/25/37/563912537.db2.gz HOLCVHMQTHGAEM-LBPRGKRZSA-N 0 2 322.393 3.560 50 30 DHEALN C=CCn1c(=O)c2c([nH]c1=S)sc1c2CC(C)(C)SC1 ZINC000004903451 181170735 /nfs/dbraw/zinc/17/07/35/181170735.db2.gz DQEOQSBPCYVHDV-UHFFFAOYSA-N 0 2 324.496 3.874 50 30 DHEALN Cc1cc(C)nc(NN=C2c3cc(C(C)C)ccc3NC2=O)n1 ZINC000007891206 262536539 /nfs/dbraw/zinc/53/65/39/262536539.db2.gz QCVBNIIVLPVFKB-UHFFFAOYSA-N 0 2 309.373 3.635 50 30 DHEALN Cc1[nH]c2ccccc2c1C(O)=C(C#N)C(=O)C[C@H]1C=CCC1 ZINC000103513079 563668880 /nfs/dbraw/zinc/66/88/80/563668880.db2.gz SOMSBBKBOVSHJQ-DZGCQCFKSA-N 0 2 306.365 3.724 50 30 DHEALN COc1ccsc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 ZINC000096404573 563936692 /nfs/dbraw/zinc/93/66/92/563936692.db2.gz ZTWRNNLPXYPBSK-GFCCVEGCSA-N 0 2 308.362 3.795 50 30 DHEALN COc1ccsc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000096404573 563936693 /nfs/dbraw/zinc/93/66/93/563936693.db2.gz ZTWRNNLPXYPBSK-GFCCVEGCSA-N 0 2 308.362 3.795 50 30 DHEALN O=C(NS(=O)(=O)c1ccsc1)[C@H](c1ccccc1)C1CC1 ZINC000095451864 185369227 /nfs/dbraw/zinc/36/92/27/185369227.db2.gz DKIFYZCWHJGFKG-CQSZACIVSA-N 0 2 321.423 3.587 50 30 DHEALN C=CCn1c(=O)c2c(-c3ccc(C)o3)csc2[nH]c1=S ZINC000004095358 181072760 /nfs/dbraw/zinc/07/27/60/181072760.db2.gz POCJUFFRQYOWGM-UHFFFAOYSA-N 0 2 304.396 3.875 50 30 DHEALN O=C1Oc2ccccc2C(=O)C1=CNc1ccc(F)c(Cl)c1 ZINC000004384877 181104956 /nfs/dbraw/zinc/10/49/56/181104956.db2.gz NMCRTWTVKQVHLG-FLIBITNWSA-N 0 2 317.703 3.577 50 30 DHEALN Cc1[nH][nH]c(=O)c1[C@H](c1c(Cl)cccc1Cl)C(C#N)C#N ZINC000004634886 181131026 /nfs/dbraw/zinc/13/10/26/181131026.db2.gz DUDKSLCEAAIIIT-GFCCVEGCSA-N 0 2 321.167 3.526 50 30 DHEALN O=C1c2ccccc2SC/C1=C\c1ccc(O)c([N+](=O)[O-])c1 ZINC000041106824 183165997 /nfs/dbraw/zinc/16/59/97/183165997.db2.gz XCFPYRDZIBBPMD-YRNVUSSQSA-N 0 2 313.334 3.672 50 30 DHEALN CCc1ccc(C(O)=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000058284092 184100197 /nfs/dbraw/zinc/10/01/97/184100197.db2.gz HTHPTCYEXKYNQQ-QGZVFWFLSA-N 0 2 306.365 3.728 50 30 DHEALN COc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3C[C@H]3C)n2)cc1 ZINC000058281537 523170874 /nfs/dbraw/zinc/17/08/74/523170874.db2.gz OIHSRTOLNKTGEU-LERXQTSPSA-N 0 2 312.394 3.651 50 30 DHEALN Cc1cc(NN=Cc2cc([N+](=O)[O-])ccc2O)nc2ccccc12 ZINC000036168910 525042526 /nfs/dbraw/zinc/04/25/26/525042526.db2.gz RTNKOEYFZSTPKM-VCHYOVAHSA-N 0 2 322.324 3.603 50 30 DHEALN Cc1cc([N+](=O)[O-])cc(/C=N/c2cc(Cl)ccc2O)c1O ZINC000035415728 525556387 /nfs/dbraw/zinc/55/63/87/525556387.db2.gz FFXXALDRLBMVLO-FRKPEAEDSA-N 0 2 306.705 3.718 50 30 DHEALN O=[N+]([O-])c1ccc(O)c(/C=N/N=C2\C[C@H](c3ccccc3)N=N2)c1 ZINC000100821776 563553891 /nfs/dbraw/zinc/55/38/91/563553891.db2.gz OBQPOCLELMOPJG-YNZPVUCOSA-N 0 2 323.312 3.630 50 30 DHEALN Cc1ccc([C@@H]2C[C@@H]2C(=O)C(C#N)=C(O)c2ccccc2)s1 ZINC000100684121 563598767 /nfs/dbraw/zinc/59/87/67/563598767.db2.gz IDJNJEROSUXVJU-ILXRZTDVSA-N 0 2 309.390 3.752 50 30 DHEALN O=C1/C(=N/O)c2ccccc2N1Cc1cccc2ccccc21 ZINC000102454705 563659798 /nfs/dbraw/zinc/65/97/98/563659798.db2.gz RPLTWBVMGUMCLS-CZIZESTLSA-N 0 2 302.333 3.565 50 30 DHEALN Cc1[nH]c2ccccc2c1C(O)=C(C#N)C(=O)C[C@@H]1C=CCC1 ZINC000103513081 563668788 /nfs/dbraw/zinc/66/87/88/563668788.db2.gz SOMSBBKBOVSHJQ-HIFRSBDPSA-N 0 2 306.365 3.724 50 30 DHEALN Cc1csc([C@H](C#N)C(=O)CCc2ccc(Cl)s2)n1 ZINC000048789180 563700041 /nfs/dbraw/zinc/70/00/41/563700041.db2.gz MLNXBDVRHDVSQA-SNVBAGLBSA-N 0 2 310.831 3.976 50 30 DHEALN C=C(C)Cn1c(=O)c2c([nH]c1=S)sc1c2CC(C)(C)OC1 ZINC000000477620 563840646 /nfs/dbraw/zinc/84/06/46/563840646.db2.gz VZHRWHXRLYMCIC-UHFFFAOYSA-N 0 2 322.455 3.548 50 30 DHEALN O=[N+]([O-])c1cccc(/C=N/c2ccccc2N2CCCC2)c1O ZINC000002223813 180915737 /nfs/dbraw/zinc/91/57/37/180915737.db2.gz UKYZMHUOTBGLRD-LDADJPATSA-N 0 2 311.341 3.651 50 30 DHEALN O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(Cl)ccc1O ZINC000004772612 181150665 /nfs/dbraw/zinc/15/06/65/181150665.db2.gz RQLWGHAOKXBXSC-DAFODLJHSA-N 0 2 316.740 3.713 50 30 biogenic DHEALN Cc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)=C(O)c2ccccc2)s1 ZINC000247824069 563545080 /nfs/dbraw/zinc/54/50/80/563545080.db2.gz IDJNJEROSUXVJU-RBSFLKMASA-N 0 2 309.390 3.752 50 30 DHEALN CCSc1ccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000076100125 563912591 /nfs/dbraw/zinc/91/25/91/563912591.db2.gz HOLCVHMQTHGAEM-GFCCVEGCSA-N 0 2 322.393 3.560 50 30 DHEALN N#C[C@@H]1c2ccccc2C(=N)N1c1ccc(Br)cc1 ZINC000022589190 1015443891 /nfs/dbraw/zinc/44/38/91/1015443891.db2.gz LZMJVOCSSPFZKN-CQSZACIVSA-N 0 2 312.170 3.859 50 30 DHEALN COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2O)cc1OC ZINC000004252510 181088810 /nfs/dbraw/zinc/08/88/10/181088810.db2.gz SEXLWJRBWGLPOV-ZZXKWVIFSA-N 0 2 318.756 3.959 50 30 DHEALN COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2O)c(OC)c1 ZINC000005025562 181192079 /nfs/dbraw/zinc/19/20/79/181192079.db2.gz KQFDMWNAJYELBV-QPJJXVBHSA-N 0 2 318.756 3.959 50 30 biogenic DHEALN Cc1ccc(/N=C/c2cc([N+](=O)[O-])c3ccccc3c2O)nc1 ZINC000020828705 182248829 /nfs/dbraw/zinc/24/88/29/182248829.db2.gz YRAKIUMASYAQPF-VXLYETTFSA-N 0 2 307.309 3.908 50 30 DHEALN Cc1csc(C(C#N)C(=O)c2csc(-c3ccoc3)n2)n1 ZINC000071888602 563293253 /nfs/dbraw/zinc/29/32/53/563293253.db2.gz ITHLYVASAUBGQT-SNVBAGLBSA-N 0 2 315.379 3.658 50 30 DHEALN Cc1csc([C@H](C#N)C(=O)c2csc(-c3ccoc3)n2)n1 ZINC000071888602 563293256 /nfs/dbraw/zinc/29/32/56/563293256.db2.gz ITHLYVASAUBGQT-SNVBAGLBSA-N 0 2 315.379 3.658 50 30 DHEALN Cc1[nH]c2ccccc2c1C(O)=C(C#N)C(=O)[C@H]1CC=CCC1 ZINC000103513048 563668776 /nfs/dbraw/zinc/66/87/76/563668776.db2.gz GHFGBSGSVOYXJT-DZGCQCFKSA-N 0 2 306.365 3.724 50 30 DHEALN Cc1csc([C@@H](C#N)C(=O)C(C)(C)c2ccc(F)cc2)n1 ZINC000075127443 563860029 /nfs/dbraw/zinc/86/00/29/563860029.db2.gz RLEJEWIRDXCTNV-ZDUSSCGKSA-N 0 2 302.374 3.745 50 30 DHEALN Cc1csc(C(C#N)C(=O)C(C)(C)c2ccc(F)cc2)n1 ZINC000075127443 563860034 /nfs/dbraw/zinc/86/00/34/563860034.db2.gz RLEJEWIRDXCTNV-ZDUSSCGKSA-N 0 2 302.374 3.745 50 30 DHEALN N#Cc1ccsc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000095983102 563933981 /nfs/dbraw/zinc/93/39/81/563933981.db2.gz JLJPGOOOXJQJEZ-UHFFFAOYSA-N 0 2 313.165 3.884 50 30 DHEALN C=CCC(CC=C)C(=O)NS(=O)(=O)c1cc(C)sc1C ZINC000095412320 185357767 /nfs/dbraw/zinc/35/77/67/185357767.db2.gz OBXSGBHQNJIJMC-UHFFFAOYSA-N 0 2 313.444 3.779 50 30 DHEALN CCOc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1 ZINC000005475426 181248200 /nfs/dbraw/zinc/24/82/00/181248200.db2.gz JOKOUGMHLYTXMA-YCRREMRBSA-N 0 2 310.349 3.753 50 30 DHEALN Cc1csc([C@@H](C#N)C(=O)CCCOc2cccc(F)c2)n1 ZINC000071820766 563460589 /nfs/dbraw/zinc/46/05/89/563460589.db2.gz CSLZZVMIDWRFAA-AWEZNQCLSA-N 0 2 318.373 3.626 50 30 DHEALN O=C(C=C(O)C(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000101355157 563655081 /nfs/dbraw/zinc/65/50/81/563655081.db2.gz ZKBZEIRIAJSKRY-DHDCSXOGSA-N 0 2 319.719 3.742 50 30 DHEALN COc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000049416894 563701612 /nfs/dbraw/zinc/70/16/12/563701612.db2.gz CUSKIRFSASQPLF-LLVKDONJSA-N 0 2 306.774 3.604 50 30 DHEALN Cc1ccc(C(COc2ccc3oc(=O)cc(C)c3c2)=NO)cc1 ZINC000252628071 563919436 /nfs/dbraw/zinc/91/94/36/563919436.db2.gz SHMXCUFFAVRWIE-UHFFFAOYSA-N 0 2 323.348 3.667 50 30 DHEALN Cc1cc(C)nc([C@@H](C#N)C(=O)C[C@@H](C)c2cccc(F)c2)n1 ZINC000096408011 563936891 /nfs/dbraw/zinc/93/68/91/563936891.db2.gz ZEAVPVGZEOPGDK-BZNIZROVSA-N 0 2 311.360 3.603 50 30 DHEALN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1 ZINC000002543636 563938708 /nfs/dbraw/zinc/93/87/08/563938708.db2.gz QYICZKGWVKXVTD-UHFFFAOYSA-N 0 2 314.410 3.657 50 30 DHEALN N#Cc1ccc(Cl)cc1NC(=O)COc1ccc(F)c(F)c1 ZINC000005476333 181247842 /nfs/dbraw/zinc/24/78/42/181247842.db2.gz ZPLWUSNNXADLQF-UHFFFAOYSA-N 0 2 322.698 3.507 50 30 DHEALN CCCc1nc(C)c(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)s1 ZINC000048813684 521493767 /nfs/dbraw/zinc/49/37/67/521493767.db2.gz VURVJOUVFWSLAD-NSHDSACASA-N 0 2 324.409 3.770 50 30 DHEALN Cc1ccc(/C(COc2ccc3oc(=O)cc(C)c3c2)=N/O)cc1 ZINC000097466838 563539218 /nfs/dbraw/zinc/53/92/18/563539218.db2.gz SHMXCUFFAVRWIE-LVZFUZTISA-N 0 2 323.348 3.667 50 30 DHEALN O=[N+]([O-])c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(O)c1 ZINC000102413437 563559303 /nfs/dbraw/zinc/55/93/03/563559303.db2.gz XHOIDLDAHZQJTD-VIZOYTHASA-N 0 2 321.676 3.613 50 30 DHEALN CC(C)(C)n1cc(C(=O)C(C#N)c2nc3ccccc3s2)cn1 ZINC000048824766 563594517 /nfs/dbraw/zinc/59/45/17/563594517.db2.gz ISNJUMKVZSCULE-LBPRGKRZSA-N 0 2 324.409 3.738 50 30 DHEALN Cc1ccc(-c2noc([C@@H](C#N)C(=O)c3ccccc3)n2)cc1 ZINC000012699419 563812361 /nfs/dbraw/zinc/81/23/61/563812361.db2.gz JZJKHMRCWMCRSD-HNNXBMFYSA-N 0 2 303.321 3.535 50 30 DHEALN Cc1ccc(-c2noc(C(C#N)C(=O)c3ccccc3)n2)cc1 ZINC000012699419 563812364 /nfs/dbraw/zinc/81/23/64/563812364.db2.gz JZJKHMRCWMCRSD-HNNXBMFYSA-N 0 2 303.321 3.535 50 30 DHEALN CC(C)c1csc(C(C#N)C(=O)CSc2ccncc2)n1 ZINC000076094738 563912513 /nfs/dbraw/zinc/91/25/13/563912513.db2.gz ZGJCGEVJPIOHJN-GFCCVEGCSA-N 0 2 317.439 3.630 50 30 DHEALN CC(C)c1csc([C@H](C#N)C(=O)CSc2ccncc2)n1 ZINC000076094738 563912514 /nfs/dbraw/zinc/91/25/14/563912514.db2.gz ZGJCGEVJPIOHJN-GFCCVEGCSA-N 0 2 317.439 3.630 50 30 DHEALN C=CCSc1ccccc1NS(=O)(=O)c1cccs1 ZINC000007709643 563918022 /nfs/dbraw/zinc/91/80/22/563918022.db2.gz OOYMXQDPUWWBAI-UHFFFAOYSA-N 0 2 311.453 3.827 50 30 DHEALN CCCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])ccc2O)c1 ZINC000004591069 181128235 /nfs/dbraw/zinc/12/82/35/181128235.db2.gz FIFOXQSVOWPZAI-LICLKQGHSA-N 0 2 300.314 3.709 50 30 DHEALN CCNC(=S)NN=Cc1c(Cl)ccc(Cl)c1Cl ZINC000005214004 181217772 /nfs/dbraw/zinc/21/77/72/181217772.db2.gz HNSNZQPLMAOSFH-WCSRMQSCSA-N 0 2 310.637 3.876 50 30 DHEALN O=[N+]([O-])c1ccc(/N=C/c2c(O)ccc3ccccc23)c(O)c1 ZINC000059518585 184139708 /nfs/dbraw/zinc/13/97/08/184139708.db2.gz NYZZGKRRBBQBHL-VCHYOVAHSA-N 0 2 308.293 3.910 50 30 DHEALN O=C(Nc1cccc2c1OCCC2)c1cc(F)c(F)c(O)c1F ZINC000328587334 257265879 /nfs/dbraw/zinc/26/58/79/257265879.db2.gz CVAJXIDAOQBXAX-UHFFFAOYSA-N 0 2 323.270 3.771 50 30 DHEALN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Br)cc2)c1 ZINC000000061167 563212171 /nfs/dbraw/zinc/21/21/71/563212171.db2.gz HIGVOCZOUAOLPM-OVCLIPMQSA-N 0 2 321.130 3.814 50 30 DHEALN O=c1[nH][nH]c(=O)c2c(N=Cc3ccc4ccccc4c3)cccc12 ZINC000000293802 563237462 /nfs/dbraw/zinc/23/74/62/563237462.db2.gz JDHMJHNKBYQQET-RGVLZGJSSA-N 0 2 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