smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)NC(=O)C1=Cc1cccc(OCc2cccc3ccccc32)c1 ZINC000113835958 231022287 /nfs/dbraw/zinc/02/22/87/231022287.db2.gz CAKYHIBZFMQDBV-UHFFFAOYSA-N -1 1 388.448 3.333 40 10 GGCBMM Cc1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1C ZINC000408808579 231116056 /nfs/dbraw/zinc/11/60/56/231116056.db2.gz JMOXUSXVYKILFS-UHFFFAOYSA-N -1 1 384.819 3.285 40 10 GGCBMM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1C ZINC000408808579 231116059 /nfs/dbraw/zinc/11/60/59/231116059.db2.gz JMOXUSXVYKILFS-UHFFFAOYSA-N -1 1 384.819 3.285 40 10 GGCBMM CCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(CC)C3=O)c2C)cc1 ZINC000409392341 529579675 /nfs/dbraw/zinc/57/96/75/529579675.db2.gz PBGJYTOYEBJCIR-LDADJPATSA-N -1 1 381.501 3.303 40 10 GGCBMM CCOc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000005025764 204103887 /nfs/dbraw/zinc/10/38/87/204103887.db2.gz CZXNDRNPVZAISR-UHFFFAOYSA-N -1 1 387.373 3.008 40 10 GGCBMM CCOc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000005025764 204103889 /nfs/dbraw/zinc/10/38/89/204103889.db2.gz CZXNDRNPVZAISR-UHFFFAOYSA-N -1 1 387.373 3.008 40 10 GGCBMM CCOc1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000005025764 204103893 /nfs/dbraw/zinc/10/38/93/204103893.db2.gz CZXNDRNPVZAISR-UHFFFAOYSA-N -1 1 387.373 3.008 40 10 GGCBMM CC(C)N1c2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223541326 136205837 /nfs/dbraw/zinc/20/58/37/136205837.db2.gz MYOOVAQZCDTARJ-RKPNYOAGSA-N -1 1 385.533 3.444 40 10 GGCBMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000408996791 534143864 /nfs/dbraw/zinc/14/38/64/534143864.db2.gz FARBCSLHDWMROM-UHFFFAOYSA-N -1 1 394.283 3.315 40 10 GGCBMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)C(=O)N1 ZINC000408807875 534784987 /nfs/dbraw/zinc/78/49/87/534784987.db2.gz LHJXRKDBQWYFGP-UHFFFAOYSA-N -1 1 391.210 3.322 40 10 GGCBMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)C(=O)N1 ZINC000408807875 534784995 /nfs/dbraw/zinc/78/49/95/534784995.db2.gz LHJXRKDBQWYFGP-UHFFFAOYSA-N -1 1 391.210 3.322 40 10 GGCBMM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1OCC ZINC000408537576 528146719 /nfs/dbraw/zinc/14/67/19/528146719.db2.gz FTTRQMXFQWZIRP-UHFFFAOYSA-N -1 1 394.855 3.447 40 10 GGCBMM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1OCC ZINC000408537576 528146724 /nfs/dbraw/zinc/14/67/24/528146724.db2.gz FTTRQMXFQWZIRP-UHFFFAOYSA-N -1 1 394.855 3.447 40 10 GGCBMM CCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1OCC ZINC000027532011 564354997 /nfs/dbraw/zinc/35/49/97/564354997.db2.gz XRNAJWUHAFYKEZ-UHFFFAOYSA-N -1 1 397.225 3.226 40 10 GGCBMM CCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1OCC ZINC000027532011 564355001 /nfs/dbraw/zinc/35/50/01/564355001.db2.gz XRNAJWUHAFYKEZ-UHFFFAOYSA-N -1 1 397.225 3.226 40 10 GGCBMM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000038160200 570410789 /nfs/dbraw/zinc/41/07/89/570410789.db2.gz NBTVPWWGWRBKHB-MDWZMJQESA-N -1 1 397.343 3.206 40 10 GGCBMM O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)o1 ZINC000004992966 570650176 /nfs/dbraw/zinc/65/01/76/570650176.db2.gz YDQBSERLOOKXBZ-LFIBNONCSA-N -1 1 394.383 3.049 40 10 GGCBMM O=C1[N-]C(=S)S/C1=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000006948832 570677015 /nfs/dbraw/zinc/67/70/15/570677015.db2.gz WPFLPLSLABOGIP-SXGWCWSVSA-N -1 1 378.482 3.482 40 10 GGCBMM CN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)[N-]C1=S ZINC000006568858 570747304 /nfs/dbraw/zinc/74/73/04/570747304.db2.gz AXWJUABYGHFNEL-MHWRWJLKSA-N -1 1 393.443 3.085 40 10 GGCBMM CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)[N-]C1=S ZINC000006630129 570748065 /nfs/dbraw/zinc/74/80/65/570748065.db2.gz HEULBFAFFKPMBR-WOJGMQOQSA-N -1 1 381.501 3.358 40 10 GGCBMM CCCCCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1OC ZINC000107574650 1411388710 /nfs/dbraw/zinc/38/87/10/1411388710.db2.gz ZTVAKZSJYZJETM-UHFFFAOYSA-N -1 1 380.828 3.057 40 10 GGCBMM CCCCCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1OC ZINC000107574650 1411388716 /nfs/dbraw/zinc/38/87/16/1411388716.db2.gz ZTVAKZSJYZJETM-UHFFFAOYSA-N -1 1 380.828 3.057 40 10 GGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000408870490 231123582 /nfs/dbraw/zinc/12/35/82/231123582.db2.gz FJSLMGIPWVUJPY-UHFFFAOYSA-N -1 1 388.448 3.333 40 10 GGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1c(Cc2cccc(F)c2)ccc2ccccc21 ZINC000408869973 231123694 /nfs/dbraw/zinc/12/36/94/231123694.db2.gz URQTVBWSLINJGU-UHFFFAOYSA-N -1 1 390.439 3.484 40 10 GGCBMM Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1C ZINC000408806256 231116314 /nfs/dbraw/zinc/11/63/14/231116314.db2.gz MIHTWCWPNHPVIQ-UHFFFAOYSA-N -1 1 384.819 3.285 40 10 GGCBMM Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1C ZINC000408806256 231116316 /nfs/dbraw/zinc/11/63/16/231116316.db2.gz MIHTWCWPNHPVIQ-UHFFFAOYSA-N -1 1 384.819 3.285 40 10 GGCBMM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1 ZINC000409400460 231201091 /nfs/dbraw/zinc/20/10/91/231201091.db2.gz RELFNSXGGRYJNV-PDGQHHTCSA-N -1 1 388.379 3.415 40 10 GGCBMM Cc1occc1C(=O)[N-]N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S ZINC000054361131 209113546 /nfs/dbraw/zinc/11/35/46/209113546.db2.gz MKRLFKWTBZBEQW-DHDCSXOGSA-N -1 1 396.453 3.077 40 10 GGCBMM Cc1cc2c(cc1C=C1C(=O)[N-]C(=S)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223598642 136205762 /nfs/dbraw/zinc/20/57/62/136205762.db2.gz CRDDYRCRAUKNSD-ZDUSSCGKSA-N -1 1 385.533 3.410 40 10 GGCBMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408994827 534143198 /nfs/dbraw/zinc/14/31/98/534143198.db2.gz JRSCNEPUVNIVKJ-UHFFFAOYSA-N -1 1 375.453 3.162 40 10 GGCBMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)N1 ZINC000408802213 534783864 /nfs/dbraw/zinc/78/38/64/534783864.db2.gz XRWVHEDWCLWQRW-UHFFFAOYSA-N -1 1 391.210 3.322 40 10 GGCBMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)N1 ZINC000408802213 534783870 /nfs/dbraw/zinc/78/38/70/534783870.db2.gz XRWVHEDWCLWQRW-UHFFFAOYSA-N -1 1 391.210 3.322 40 10 GGCBMM CCCCCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC ZINC000408538929 528146443 /nfs/dbraw/zinc/14/64/43/528146443.db2.gz RONHKKAGMRRONX-UHFFFAOYSA-N -1 1 396.896 3.222 40 10 GGCBMM CCN1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)[N-]C1=S ZINC000409393507 528943352 /nfs/dbraw/zinc/94/33/52/528943352.db2.gz XWTAZAHHMKILNO-GZTJUZNOSA-N -1 1 381.501 3.358 40 10 GGCBMM CCN1c2cc(C)c(C=C3C(=O)[N-]C(=S)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223572143 535784967 /nfs/dbraw/zinc/78/49/67/535784967.db2.gz HTFQQSCXJYKHIQ-RKPNYOAGSA-N -1 1 385.533 3.364 40 10 GGCBMM Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1 ZINC000004657312 570390006 /nfs/dbraw/zinc/39/00/06/570390006.db2.gz UPPOMTNFJLEUQG-PDGQHHTCSA-N -1 1 388.379 3.415 40 10 GGCBMM COc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2C(=O)c2ccccc2)cc1 ZINC000005260066 570432649 /nfs/dbraw/zinc/43/26/49/570432649.db2.gz WYEHBOXLKXTIFO-UHFFFAOYSA-N -1 1 382.441 3.309 40 10 GGCBMM Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(C2CCCC2)C1=O ZINC000004992967 570650059 /nfs/dbraw/zinc/65/00/59/570650059.db2.gz NEXSASASPMQTOV-LFIBNONCSA-N -1 1 380.404 3.131 40 10 GGCBMM O=C1[N-]C(=S)NC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccsc1 ZINC000079068583 1409955063 /nfs/dbraw/zinc/95/50/63/1409955063.db2.gz VHLOJCGZPAMGMG-UHFFFAOYSA-N -1 1 380.454 3.355 40 10 GGCBMM O=C1[N-]C(=S)NC(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccsc1 ZINC000079068583 1409955069 /nfs/dbraw/zinc/95/50/69/1409955069.db2.gz VHLOJCGZPAMGMG-UHFFFAOYSA-N -1 1 380.454 3.355 40 10 GGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccsc1 ZINC000079068583 1409955074 /nfs/dbraw/zinc/95/50/74/1409955074.db2.gz VHLOJCGZPAMGMG-UHFFFAOYSA-N -1 1 380.454 3.355 40 10 GGCBMM Cc1cc(C)cc(Cc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000408881059 231124481 /nfs/dbraw/zinc/12/44/81/231124481.db2.gz LNHZZTLURQWUHZ-UHFFFAOYSA-N -1 1 384.888 3.462 40 10 GGCBMM Cc1nnc(Sc2ccc(C=C3SC(=S)[N-]C3=O)cc2[N+](=O)[O-])s1 ZINC000408989421 231142868 /nfs/dbraw/zinc/14/28/68/231142868.db2.gz HRJJKPBRHZJRRW-YHYXMXQVSA-N -1 1 396.500 3.395 40 10 GGCBMM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O ZINC000409045129 231150392 /nfs/dbraw/zinc/15/03/92/231150392.db2.gz FEZWADRSCVUWMZ-WUXMJOGZSA-N -1 1 393.182 3.071 40 10 GGCBMM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O ZINC000409050098 231151362 /nfs/dbraw/zinc/15/13/62/231151362.db2.gz YUHPYGHQQIMGIN-KPKJPENVSA-N -1 1 377.183 3.365 40 10 GGCBMM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1 ZINC000409399603 231201079 /nfs/dbraw/zinc/20/10/79/231201079.db2.gz KKKFLCBZJHUJCC-PDGQHHTCSA-N -1 1 388.379 3.415 40 10 GGCBMM O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1[S-] ZINC000016450228 210190848 /nfs/dbraw/zinc/19/08/48/210190848.db2.gz LAXDKGCPDMOVAG-XFXZXTDPSA-N -1 1 389.889 3.372 40 10 GGCBMM CN1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)[N-]C1=S ZINC000409232867 530039772 /nfs/dbraw/zinc/03/97/72/530039772.db2.gz SPIZRIQXGKSNJS-BOPFTXTBSA-N -1 1 393.443 3.085 40 10 GGCBMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409338215 533473153 /nfs/dbraw/zinc/47/31/53/533473153.db2.gz FWFIBURYFWFZGJ-MDWZMJQESA-N -1 1 389.414 3.280 40 10 GGCBMM COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1[O-] ZINC000409147838 533474609 /nfs/dbraw/zinc/47/46/09/533474609.db2.gz WNBMCLITGXIKEZ-ZROIWOOFSA-N -1 1 388.832 3.455 40 10 GGCBMM Cc1c(C=C2C(=O)[N-]C(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000408913048 533701290 /nfs/dbraw/zinc/70/12/90/533701290.db2.gz KCLHYFMIFUZGEA-LDADJPATSA-N -1 1 389.480 3.255 40 10 GGCBMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408997781 534142942 /nfs/dbraw/zinc/14/29/42/534142942.db2.gz SVMBGDHGTQKOFW-UHFFFAOYSA-N -1 1 381.501 3.306 40 10 GGCBMM CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)[N-]C1=S ZINC000409390804 528943684 /nfs/dbraw/zinc/94/36/84/528943684.db2.gz FSKDGFFKWMYFPQ-CXUHLZMHSA-N -1 1 387.892 3.394 40 10 GGCBMM CCN1c2cc(C)c(C=C3C(=O)[N-]C(=S)N(C)C3=O)cc2C(C)=CC1(C)C ZINC000208511928 535784973 /nfs/dbraw/zinc/78/49/73/535784973.db2.gz UFPLFEXOMZHSTB-MHWRWJLKSA-N -1 1 383.517 3.273 40 10 GGCBMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000003388142 570344517 /nfs/dbraw/zinc/34/45/17/570344517.db2.gz VESXSOROGKBYTH-OQLLNIDSSA-N -1 1 384.417 3.099 40 10 GGCBMM O=C([O-])[C@H]1CCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(F)cc3)coc21 ZINC000027046945 570500811 /nfs/dbraw/zinc/50/08/11/570500811.db2.gz WZOBJNOPFAHZTE-QGZVFWFLSA-N -1 1 383.375 3.354 40 10 GGCBMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000408992594 570690263 /nfs/dbraw/zinc/69/02/63/570690263.db2.gz SONWYEKRCDMGRH-UHFFFAOYSA-N -1 1 375.453 3.162 40 10 GGCBMM CCOc1ccc(NC=C2C(=O)[N-]C(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000102545977 1410647776 /nfs/dbraw/zinc/64/77/76/1410647776.db2.gz KTUYWYAGSFPBFT-SFQUDFHCSA-N -1 1 381.457 3.236 40 10 GGCBMM Cc1cc(C)cc(Cc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)c1 ZINC000408865739 231122547 /nfs/dbraw/zinc/12/25/47/231122547.db2.gz DUWFQDFCUFAOAO-UHFFFAOYSA-N -1 1 384.888 3.462 40 10 GGCBMM Cc1ccc(COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000408875439 231124065 /nfs/dbraw/zinc/12/40/65/231124065.db2.gz FPZYDGKBJVZZDR-UHFFFAOYSA-N -1 1 386.860 3.142 40 10 GGCBMM Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c3ccccc32)c1 ZINC000408912414 231129468 /nfs/dbraw/zinc/12/94/68/231129468.db2.gz FYPLRNVTOKFGSD-WOJGMQOQSA-N -1 1 389.480 3.255 40 10 GGCBMM Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1ccc2c(c1)C(=O)NC2=O ZINC000016160803 221358322 /nfs/dbraw/zinc/35/83/22/221358322.db2.gz KJYAOSPOSMKQHN-UNOMPAQXSA-N -1 1 396.406 3.442 40 10 GGCBMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408875511 533718521 /nfs/dbraw/zinc/71/85/21/533718521.db2.gz GESXBHCFKSKLQB-UHFFFAOYSA-N -1 1 398.846 3.306 40 10 GGCBMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408875511 533718527 /nfs/dbraw/zinc/71/85/27/533718527.db2.gz GESXBHCFKSKLQB-UHFFFAOYSA-N -1 1 398.846 3.306 40 10 GGCBMM CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000408918948 528197899 /nfs/dbraw/zinc/19/78/99/528197899.db2.gz RAQSFPJUMXMCSF-CEXMDJMXSA-N -1 1 396.896 3.173 40 10 GGCBMM CCN1C(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)[N-]C1=S ZINC000409392848 528943693 /nfs/dbraw/zinc/94/36/93/528943693.db2.gz SMBNHHOULCJCOY-GXDHUFHOSA-N -1 1 393.390 3.143 40 10 GGCBMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000000843771 564181049 /nfs/dbraw/zinc/18/10/49/564181049.db2.gz DNONCVAANDQKND-UHFFFAOYSA-N -1 1 377.765 3.263 40 10 GGCBMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000000843771 564181056 /nfs/dbraw/zinc/18/10/56/564181056.db2.gz DNONCVAANDQKND-UHFFFAOYSA-N -1 1 377.765 3.263 40 10 GGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000000843771 564181058 /nfs/dbraw/zinc/18/10/58/564181058.db2.gz DNONCVAANDQKND-UHFFFAOYSA-N -1 1 377.765 3.263 40 10 GGCBMM CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)c(O)c1 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FSCHHMMHVWTONI-OVCLIPMQSA-N -1 1 375.881 3.491 40 10 GGCBMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000000843772 564181381 /nfs/dbraw/zinc/18/13/81/564181381.db2.gz CPRLHXJZPVUNHJ-UHFFFAOYSA-N -1 1 377.765 3.263 40 10 GGCBMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000000843772 564181384 /nfs/dbraw/zinc/18/13/84/564181384.db2.gz CPRLHXJZPVUNHJ-UHFFFAOYSA-N -1 1 377.765 3.263 40 10 GGCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000000843772 564181389 /nfs/dbraw/zinc/18/13/89/564181389.db2.gz CPRLHXJZPVUNHJ-UHFFFAOYSA-N -1 1 377.765 3.263 40 10 GGCBMM CC(=O)N(c1nc(C=C2SC(=S)[N-]C2=O)cs1)c1ccccc1F ZINC000012873320 564271498 /nfs/dbraw/zinc/27/14/98/564271498.db2.gz VTHUBWGHJNBWLD-SDQBBNPISA-N -1 1 379.463 3.456 40 10 GGCBMM Cc1c(Br)c(/C=C2\C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccccc1 ZINC000059104323 564692640 /nfs/dbraw/zinc/69/26/40/564692640.db2.gz IMALZHFWJGVJFC-UHFFFAOYSA-N -1 1 388.221 3.446 40 10 GGCBMM Cc1c(Br)c(/C=C2/C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccccc1 ZINC000059104323 564692642 /nfs/dbraw/zinc/69/26/42/564692642.db2.gz IMALZHFWJGVJFC-UHFFFAOYSA-N -1 1 388.221 3.446 40 10 GGCBMM CCCCCCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O ZINC000108002050 565005027 /nfs/dbraw/zinc/00/50/27/565005027.db2.gz DVMXFTNQYUTUIM-UHFFFAOYSA-N -1 1 395.253 3.158 40 10 GGCBMM CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O ZINC000108002050 565005032 /nfs/dbraw/zinc/00/50/32/565005032.db2.gz DVMXFTNQYUTUIM-UHFFFAOYSA-N -1 1 395.253 3.158 40 10 GGCBMM Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008764315 570681893 /nfs/dbraw/zinc/68/18/93/570681893.db2.gz UBHNQTCRMPUFPX-XMHCIUCPSA-N -1 1 385.460 3.482 40 10 GGCBMM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2SC(=S)[N-]C2=O)c1C ZINC000408992377 570690570 /nfs/dbraw/zinc/69/05/70/570690570.db2.gz ATRURTVULPQLJJ-CHHVJCJISA-N -1 1 389.458 3.500 40 10 GGCBMM COc1cc(OC)cc(C(=O)c2coc3ccc([O-])c(CN4CCOCC4)c23)c1 ZINC000019881300 570931272 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