smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ncoc2C2CC2)s1 ZINC000297839672 132037001 /nfs/dbraw/zinc/03/70/01/132037001.db2.gz RGBBJLIYVWXZDH-UHFFFAOYSA-N -1 3 315.398 4.035 20 30 DIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cncs3)c(C#N)c2[C@H]1C ZINC000297905490 132039907 /nfs/dbraw/zinc/03/99/07/132039907.db2.gz RFVJKQZXCZAWDB-BDAKNGLRSA-N -1 3 317.439 4.014 20 30 DIEDHM C=CC[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000427653516 332478189 /nfs/dbraw/zinc/47/81/89/332478189.db2.gz JAVGWZLXMFWNQK-AWEZNQCLSA-N -1 3 301.773 4.344 20 30 DIEDHM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1c(C)cccc1[O-] ZINC000497158705 333183173 /nfs/dbraw/zinc/18/31/73/333183173.db2.gz VCRHSABRPAIFFX-UHFFFAOYSA-N -1 3 322.389 4.348 20 30 DIEDHM Cc1oc(-c2ccccc2)c(C([O-])=C(C#N)c2ccccn2)c1C ZINC000187242494 333428161 /nfs/dbraw/zinc/42/81/61/333428161.db2.gz VXCLCZJTVQDJGH-MRXNPFEDSA-N -1 3 316.360 4.449 20 30 DIEDHM CSc1ccc(C(=O)[N-]c2ccccc2SCCC#N)o1 ZINC000112246600 333464862 /nfs/dbraw/zinc/46/48/62/333464862.db2.gz DURSWYDYWNDLSH-UHFFFAOYSA-N -1 3 318.423 4.260 20 30 DIEDHM CCCCCCC[C@@H](CC(=O)[O-])NCc1cc(F)ccc1F ZINC000277184170 334086854 /nfs/dbraw/zinc/08/68/54/334086854.db2.gz FLZMGEMFPPGEPV-HNNXBMFYSA-N -1 3 313.388 4.258 20 30 DIEDHM CCCCCCC[C@@H](CC(=O)[O-])NCc1cccc(F)c1F ZINC000277281046 334087463 /nfs/dbraw/zinc/08/74/63/334087463.db2.gz LYIZJCKVHQARSM-AWEZNQCLSA-N -1 3 313.388 4.258 20 30 DIEDHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc([O-])cc1F ZINC000330801028 334812338 /nfs/dbraw/zinc/81/23/38/334812338.db2.gz JAMXVPBYXIVTJO-UHFFFAOYSA-N -1 3 308.378 4.230 20 30 DIEDHM CC(C)c1ccc2occ(C([O-])=C(C#N)c3ccccn3)c2c1 ZINC000347752881 335527058 /nfs/dbraw/zinc/52/70/58/335527058.db2.gz FVPAGSAIHBWASF-OAHLLOKOSA-N -1 3 304.349 4.441 20 30 DIEDHM N#CCCSc1ccccc1[N-]C(=O)c1ccoc1Cl ZINC000192307864 336028092 /nfs/dbraw/zinc/02/80/92/336028092.db2.gz NYGSIACUEUCQJO-UHFFFAOYSA-N -1 3 306.774 4.191 20 30 DIEDHM N#Cc1c([N-]C(=O)c2ccoc2Cl)sc2c1CCCCC2 ZINC000192393939 336030609 /nfs/dbraw/zinc/03/06/09/336030609.db2.gz MRAKPPHHPAIUHW-UHFFFAOYSA-N -1 3 320.801 4.387 20 30 DIEDHM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(C(C)(C)C)n1 ZINC000329786250 336081544 /nfs/dbraw/zinc/08/15/44/336081544.db2.gz XTBLRVMWGFFBSW-UHFFFAOYSA-N -1 3 305.403 4.251 20 30 DIEDHM Cc1ccc(-c2noc([N-][C@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000302047818 336345416 /nfs/dbraw/zinc/34/54/16/336345416.db2.gz NWGUAPYKNXJCQC-CYBMUJFWSA-N -1 3 304.353 4.090 20 30 DIEDHM CCC(CC)CN(CCC#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000354818922 336483479 /nfs/dbraw/zinc/48/34/79/336483479.db2.gz KPNCLNFEDBPDOO-UHFFFAOYSA-N -1 3 324.424 4.337 20 30 DIEDHM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1sccc1C#N ZINC000173053624 337133353 /nfs/dbraw/zinc/13/33/53/337133353.db2.gz CUTPKNYWDWCQBZ-UHFFFAOYSA-N -1 3 318.423 4.162 20 30 DIEDHM CCN(C(=O)c1ccc(C)c(C)c1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000436543236 338276290 /nfs/dbraw/zinc/27/62/90/338276290.db2.gz DDQFGMVYYQMEMV-OAHLLOKOSA-N -1 3 322.408 4.104 20 30 DIEDHM Cc1oc(C#N)cc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436619199 338280351 /nfs/dbraw/zinc/28/03/51/338280351.db2.gz QGOIILKIZHOBLF-UHFFFAOYSA-N -1 3 317.304 4.036 20 30 DIEDHM CCc1cc(C#N)c([N-]C(=O)c2scnc2C(C)C)s1 ZINC000460021406 339051895 /nfs/dbraw/zinc/05/18/95/339051895.db2.gz OQNRRTLTCNMFRL-UHFFFAOYSA-N -1 3 305.428 4.014 20 30 DIEDHM CC(C)(C)c1ccc(NC(=O)c2ccc(CC#N)cc2)c([O-])c1 ZINC000501973216 340091790 /nfs/dbraw/zinc/09/17/90/340091790.db2.gz GQGVUJNVWNUBFQ-UHFFFAOYSA-N -1 3 308.381 4.008 20 30 DIEDHM CCCc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190951584 340548474 /nfs/dbraw/zinc/54/84/74/340548474.db2.gz XKEVYBNHLIZQFO-INIZCTEOSA-N -1 3 315.376 4.072 20 30 DIEDHM N#CC(=C([O-])c1ccc(C2CCCCC2)cc1)c1ccncn1 ZINC000546860890 341183870 /nfs/dbraw/zinc/18/38/70/341183870.db2.gz SVGVSWDUTAPUTH-QGZVFWFLSA-N -1 3 305.381 4.014 20 30 DIEDHM N#Cc1cccc(Nc2ccc(Cl)cc2[O-])c1Br ZINC001214411874 1050895169 /nfs/dbraw/zinc/89/51/69/1050895169.db2.gz RHLSPFGKMBAFJK-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM O=C(Cc1ccc2ccccc2c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000078868611 1035565660 /nfs/dbraw/zinc/56/56/60/1035565660.db2.gz LUGPCHUXUSPGHO-UHFFFAOYSA-N -1 3 318.336 4.049 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2cccc(OC(F)F)c2)ccc1[O-] ZINC000728232967 1036190654 /nfs/dbraw/zinc/19/06/54/1036190654.db2.gz ZBIJBISBQSHUCU-FNORWQNLSA-N -1 3 304.292 4.198 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccccc2OCC2CC2)ccc1[O-] ZINC000728232935 1036195335 /nfs/dbraw/zinc/19/53/35/1036195335.db2.gz YGPCUJYTELWKCJ-FLIBITNWSA-N -1 3 308.377 4.386 20 30 DIEDHM CCc1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1[O-] ZINC000530957081 1036765101 /nfs/dbraw/zinc/76/51/01/1036765101.db2.gz UHRCHLZVJDXTBW-UHFFFAOYSA-N -1 3 308.381 4.008 20 30 DIEDHM CC(C)(C)c1csc([N-]C(=O)c2cnc(C3CC3)o2)c1C#N ZINC000891144066 1036844286 /nfs/dbraw/zinc/84/42/86/1036844286.db2.gz CAKCZNTUSPEVIF-UHFFFAOYSA-N -1 3 315.398 4.035 20 30 DIEDHM [O-]c1c(O)ccc(C=Nc2ccc(Nc3ccccc3)cc2)c1O ZINC000255205156 1037121799 /nfs/dbraw/zinc/12/17/99/1037121799.db2.gz SGJVSWQEJDCILY-UHFFFAOYSA-N -1 3 320.348 4.298 20 30 DIEDHM O=C(Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1)C1CC1 ZINC000255315284 1037695477 /nfs/dbraw/zinc/69/54/77/1037695477.db2.gz DMXJPOUFAGJTKD-UHFFFAOYSA-N -1 3 314.772 4.145 20 30 DIEDHM O=C(Nc1cccc(N=Cc2cc(Cl)ccc2[O-])c1)C1CC1 ZINC000255382597 1038124663 /nfs/dbraw/zinc/12/46/63/1038124663.db2.gz RVVNFHKDKMTNJB-UHFFFAOYSA-N -1 3 314.772 4.145 20 30 DIEDHM [O-]c1c(O)ccc(C=Nc2cccc(-c3cccs3)c2)c1O ZINC000255414655 1038302213 /nfs/dbraw/zinc/30/22/13/1038302213.db2.gz BBMUMDMRWPEWQD-UHFFFAOYSA-N -1 3 311.362 4.283 20 30 DIEDHM C[Si](C)(C)C#Cc1ncccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373554 1038925566 /nfs/dbraw/zinc/92/55/66/1038925566.db2.gz KZWRMEBQFYJGOG-UHFFFAOYSA-N -1 3 318.399 4.038 20 30 DIEDHM N#CC(=C([O-])c1cc2ccsc2[nH]1)c1nc2ccccc2s1 ZINC000613289574 1040859783 /nfs/dbraw/zinc/85/97/83/1040859783.db2.gz QACKHTOQIAHJFM-SNVBAGLBSA-N -1 3 323.402 4.329 20 30 DIEDHM C#C[C@H](NCc1cccc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC000811516228 1041535314 /nfs/dbraw/zinc/53/53/14/1041535314.db2.gz HCWQYTHMFHHMGL-HNNXBMFYSA-N -1 3 306.192 4.163 20 30 DIEDHM COC(=O)c1c(C)c(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000811624814 1041543040 /nfs/dbraw/zinc/54/30/40/1041543040.db2.gz RXFGYFDPJMLARQ-UHFFFAOYSA-N -1 3 321.735 4.030 20 30 DIEDHM CC(C)c1nc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cs1 ZINC000812243486 1041607715 /nfs/dbraw/zinc/60/77/15/1041607715.db2.gz NFPACKQCHDQSIH-HYXAFXHYSA-N -1 3 309.337 4.146 20 30 DIEDHM N#CC(=C([O-])C=C(C1CC1)C1CC1)c1cc(C(F)(F)F)ccn1 ZINC000813217427 1041681465 /nfs/dbraw/zinc/68/14/65/1041681465.db2.gz GBOKNSQMLJJSKF-AWEZNQCLSA-N -1 3 320.314 4.023 20 30 DIEDHM N#CC(=C([O-])C1=CCCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813216909 1041681931 /nfs/dbraw/zinc/68/19/31/1041681931.db2.gz HSLJWLUISMRLNH-ZDUSSCGKSA-N -1 3 308.303 4.167 20 30 DIEDHM C=C(CNC(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC000813625638 1041721730 /nfs/dbraw/zinc/72/17/30/1041721730.db2.gz HRCUYTKOAXWTSJ-UHFFFAOYSA-N -1 3 309.390 4.050 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000815138545 1041925144 /nfs/dbraw/zinc/92/51/44/1041925144.db2.gz VWBGLEJTQMTKAC-UHFFFAOYSA-N -1 3 320.166 4.310 20 30 DIEDHM O=C1c2cc(F)ccc2SC/C1=C\c1c(F)ccc([O-])c1F ZINC000794933077 1043225931 /nfs/dbraw/zinc/22/59/31/1043225931.db2.gz FXGDXZDKMQRPRC-VMPITWQZSA-N -1 3 322.307 4.182 20 30 DIEDHM O=C1c2ccc(Cl)cc2C/C1=C\c1c(F)ccc([O-])c1F ZINC000794942335 1043244759 /nfs/dbraw/zinc/24/47/59/1043244759.db2.gz LYEWIDSNPYGRSC-VQHVLOKHSA-N -1 3 306.695 4.146 20 30 DIEDHM C[C@@H]1C/C(=C\c2c(F)ccc([O-])c2F)C(=O)c2ccccc21 ZINC000794946028 1043246418 /nfs/dbraw/zinc/24/64/18/1043246418.db2.gz MNJBZPFOWCLJIE-OYVNLZQHSA-N -1 3 300.304 4.444 20 30 DIEDHM Cc1ccc2c(c1)C(=O)/C(=C\c1c(F)ccc([O-])c1F)CC2 ZINC000794946880 1043248311 /nfs/dbraw/zinc/24/83/11/1043248311.db2.gz RGJJRDIXPTYAOP-XFXZXTDPSA-N -1 3 300.304 4.191 20 30 DIEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCC3)n1 ZINC000353896291 1043655053 /nfs/dbraw/zinc/65/50/53/1043655053.db2.gz YDUGYQHPLWTOHX-OAHLLOKOSA-N -1 3 310.422 4.245 20 30 DIEDHM COc1ccc(Nc2cc(Cl)c(Cl)cc2[O-])c(C#N)c1 ZINC001212784405 1044016811 /nfs/dbraw/zinc/01/68/11/1044016811.db2.gz QDBDNQIRDXNQIK-UHFFFAOYSA-N -1 3 309.152 4.323 20 30 DIEDHM COc1ccc(Cl)cc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000728231194 1044239654 /nfs/dbraw/zinc/23/96/54/1044239654.db2.gz JQIQXSFAFZPABN-QPJJXVBHSA-N -1 3 302.757 4.259 20 30 DIEDHM Cc1scc(C([O-])=C(C#N)c2nccc3ccccc32)c1C ZINC000361530309 1044415145 /nfs/dbraw/zinc/41/51/45/1044415145.db2.gz IZVOZANYGAHYGP-OAHLLOKOSA-N -1 3 306.390 4.403 20 30 DIEDHM CC(C)c1[nH]ccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000568019240 1044596290 /nfs/dbraw/zinc/59/62/90/1044596290.db2.gz RVJAVARMDARVLJ-GFCCVEGCSA-N -1 3 321.302 4.042 20 30 DIEDHM Cc1ccc(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)c(C)c1 ZINC001202739336 1044768493 /nfs/dbraw/zinc/76/84/93/1044768493.db2.gz CXCGSIOXCRFSKG-UHFFFAOYSA-N -1 3 312.373 4.105 20 30 DIEDHM CC(C)(C)c1cc([N-]C(=O)c2cnc(C3CC3)o2)c(C#N)s1 ZINC000889708017 1045087639 /nfs/dbraw/zinc/08/76/39/1045087639.db2.gz LXQIJKGSDSLGQS-UHFFFAOYSA-N -1 3 315.398 4.035 20 30 DIEDHM C=CC1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000577118133 1045103337 /nfs/dbraw/zinc/10/33/37/1045103337.db2.gz PSOYSZVTHRMNDC-CQSZACIVSA-N -1 3 314.212 4.017 20 30 DIEDHM Cc1csc(C(C#N)=C([O-])c2cccc3c2CCCCC3)n1 ZINC001122395239 1045564303 /nfs/dbraw/zinc/56/43/03/1045564303.db2.gz PGKCGKHCHINRLW-INIZCTEOSA-N -1 3 310.422 4.211 20 30 DIEDHM Cc1ncc(CO)c(C=Nc2cccc(-c3cccs3)c2)c1[O-] ZINC000750950399 1045573982 /nfs/dbraw/zinc/57/39/82/1045573982.db2.gz UMHNDNKCZRBVJA-UHFFFAOYSA-N -1 3 324.405 4.067 20 30 DIEDHM O=C(c1csc2ccccc12)N([O-])Cc1ccc(F)cc1 ZINC000900094917 1045604002 /nfs/dbraw/zinc/60/40/02/1045604002.db2.gz UFHVATGZVMYNJF-UHFFFAOYSA-N -1 3 301.342 4.072 20 30 DIEDHM O=C(CCc1ccsc1)N([O-])Cc1cccc2ccccc21 ZINC000900095330 1045604404 /nfs/dbraw/zinc/60/44/04/1045604404.db2.gz YRIZWFRRPCBWTI-UHFFFAOYSA-N -1 3 311.406 4.252 20 30 DIEDHM O=C(c1occc1-c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC000900093947 1045604505 /nfs/dbraw/zinc/60/45/05/1045604505.db2.gz CPHCUVSSZBZDTJ-UHFFFAOYSA-N -1 3 311.312 4.117 20 30 DIEDHM C[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C1CCC1 ZINC000900096122 1045604797 /nfs/dbraw/zinc/60/47/97/1045604797.db2.gz SNGOQJDBWSITBA-VIFPVBQESA-N -1 3 302.201 4.147 20 30 DIEDHM CC(C)(C)c1ccc(NC(=O)/C=C/c2ccccc2C#N)c([O-])c1 ZINC000800374774 1045611196 /nfs/dbraw/zinc/61/11/96/1045611196.db2.gz VTXHHPSNMFBNOA-DHZHZOJOSA-N -1 3 320.392 4.213 20 30 DIEDHM O=C(c1c(F)cccc1F)N([O-])Cc1cccc2ccccc21 ZINC000901367388 1045709766 /nfs/dbraw/zinc/70/97/66/1045709766.db2.gz CPHOEHIVNASXIC-UHFFFAOYSA-N -1 3 313.303 4.150 20 30 DIEDHM C[C@H](CC(=O)N([O-])Cc1cccc2ccccc21)n1cccc1 ZINC000901369688 1045710961 /nfs/dbraw/zinc/71/09/61/1045710961.db2.gz FLWOUKCIEOMAJN-OAHLLOKOSA-N -1 3 308.381 4.010 20 30 DIEDHM CCc1oc(C(=O)N([O-])Cc2cccc3ccccc32)cc1C ZINC000901371538 1045712689 /nfs/dbraw/zinc/71/26/89/1045712689.db2.gz UZUFEPHRALEGMQ-UHFFFAOYSA-N -1 3 309.365 4.335 20 30 DIEDHM O=C([C@H]1C[C@@H]1C1CCCC1)N([O-])Cc1cccc2ccccc21 ZINC000901370684 1045712836 /nfs/dbraw/zinc/71/28/36/1045712836.db2.gz DDOCIOBQTDLBSA-MOPGFXCFSA-N -1 3 309.409 4.384 20 30 DIEDHM O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N([O-])Cc1ccc(F)cc1 ZINC000901372136 1045713009 /nfs/dbraw/zinc/71/30/09/1045713009.db2.gz RXIYHDJGZGVABP-HRCADAONSA-N -1 3 305.393 4.150 20 30 DIEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000901372003 1045713357 /nfs/dbraw/zinc/71/33/57/1045713357.db2.gz MISXTKYPLOJHPF-NSHDSACASA-N -1 3 307.752 4.001 20 30 DIEDHM C[C@H](Cc1ccco1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371260 1045713600 /nfs/dbraw/zinc/71/36/00/1045713600.db2.gz PUNYAEYKTQHETL-CQSZACIVSA-N -1 3 309.365 4.029 20 30 DIEDHM CC(C)(C)Oc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901372170 1045713458 /nfs/dbraw/zinc/71/34/58/1045713458.db2.gz SXYOPPHYDLPBGC-UHFFFAOYSA-N -1 3 317.360 4.035 20 30 DIEDHM Cc1c2cccc(C)c2oc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374176 1045715159 /nfs/dbraw/zinc/71/51/59/1045715159.db2.gz GCCJMZLHFOMAPP-UHFFFAOYSA-N -1 3 313.328 4.220 20 30 DIEDHM CCCc1cc(C(=O)N([O-])Cc2ccc(F)cc2)sc1C ZINC000901375565 1045715999 /nfs/dbraw/zinc/71/59/99/1045715999.db2.gz GWXVGQKKQLYLIK-UHFFFAOYSA-N -1 3 307.390 4.180 20 30 DIEDHM Cc1nc(Cl)ccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000802226259 1045925198 /nfs/dbraw/zinc/92/51/98/1045925198.db2.gz IVCYLTNYZBXZDZ-OAHLLOKOSA-N -1 3 321.767 4.082 20 30 DIEDHM Cc1nc2c(s1)[C@@H](/N=C\c1cc(Cl)ccc1[O-])CCC2 ZINC000779706623 1045984575 /nfs/dbraw/zinc/98/45/75/1045984575.db2.gz INIWVTORSQVDSK-OYZNXWOWSA-N -1 3 306.818 4.307 20 30 DIEDHM COc1cc(C(=O)/C=C/C=C\c2ccc(F)cc2F)ccc1[O-] ZINC000758017310 1046238810 /nfs/dbraw/zinc/23/88/10/1046238810.db2.gz LPBOLUCHEKSTEZ-VOERYJCWSA-N -1 3 316.303 4.131 20 30 DIEDHM CCCCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000041519446 1046450489 /nfs/dbraw/zinc/45/04/89/1046450489.db2.gz BYQOTXPEDDLDNV-HNNXBMFYSA-N -1 3 314.410 4.121 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc2cnccc2c1 ZINC000782324305 1046518345 /nfs/dbraw/zinc/51/83/45/1046518345.db2.gz YWQVONRIFFDDTI-BTAWCLGRSA-N -1 3 319.335 4.463 20 30 DIEDHM N#CCCN(Cc1ccc(Cl)cc1)Cc1cc(F)ccc1[O-] ZINC001140058560 1046578923 /nfs/dbraw/zinc/57/89/23/1046578923.db2.gz HAPMGFIVSYGZRD-UHFFFAOYSA-N -1 3 318.779 4.101 20 30 DIEDHM CCOc1cc(/C=C/C(=O)c2ccccc2F)cc(Cl)c1[O-] ZINC000016406971 1046665055 /nfs/dbraw/zinc/66/50/55/1046665055.db2.gz HZDAAFYLTABRHU-BQYQJAHWSA-N -1 3 320.747 4.480 20 30 DIEDHM CC(C)Oc1ccc(Cl)cc1C([O-])=C(C#N)c1ccccn1 ZINC000066506987 1046783374 /nfs/dbraw/zinc/78/33/74/1046783374.db2.gz ZOUCXSGNSNZXTH-AWEZNQCLSA-N -1 3 314.772 4.012 20 30 DIEDHM CC(C)c1cc(C([O-])=C(C#N)c2ccccn2)c2ccccc2n1 ZINC000161937140 1046916747 /nfs/dbraw/zinc/91/67/47/1046916747.db2.gz FQEJSICAILYLIS-INIZCTEOSA-N -1 3 315.376 4.243 20 30 DIEDHM Cc1nn(C(C)C)cc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000798369486 1046949101 /nfs/dbraw/zinc/94/91/01/1046949101.db2.gz ICJYDDBGVLFMAL-QVASGMJFSA-N -1 3 314.360 4.001 20 30 DIEDHM CC(C)CC[C@@H](C)O/C(=N\[O-])c1ccccc1Br ZINC001223884256 1046963386 /nfs/dbraw/zinc/96/33/86/1046963386.db2.gz FJLCNABOCJSMGM-QSJBWMMGSA-N -1 3 314.223 4.426 20 30 DIEDHM COc1ccccc1CON=Cc1c([O-])ccc2ccccc21 ZINC000799118394 1047001195 /nfs/dbraw/zinc/00/11/95/1047001195.db2.gz DEVUGJMSQIGPHW-UHFFFAOYSA-N -1 3 307.349 4.105 20 30 DIEDHM N#C[C@@H]1CCCC[C@H]1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000839083248 1047193754 /nfs/dbraw/zinc/19/37/54/1047193754.db2.gz GPLYXRIEORKGEE-GZMMTYOYSA-N -1 3 308.790 4.122 20 30 DIEDHM C=CCN(C(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1 ZINC001141705057 1047272102 /nfs/dbraw/zinc/27/21/02/1047272102.db2.gz IJNGEJSAGMKGMG-UHFFFAOYSA-N -1 3 307.393 4.104 20 30 DIEDHM CCCCN(CCC#N)Cc1c(Cl)cc([O-])cc1Cl ZINC001142111435 1047382428 /nfs/dbraw/zinc/38/24/28/1047382428.db2.gz LKCDUZHUFLEJPC-UHFFFAOYSA-N -1 3 301.217 4.215 20 30 DIEDHM COc1ccccc1C1(C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000749451757 1047420081 /nfs/dbraw/zinc/42/00/81/1047420081.db2.gz JPHXFDXZERNHFO-RGVLZGJSSA-N -1 3 315.800 4.205 20 30 DIEDHM N#CC(=C([O-])C=CC1CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000842802897 1047504965 /nfs/dbraw/zinc/50/49/65/1047504965.db2.gz KTPBXTYIHNUOCG-GFUIURDCSA-N -1 3 308.303 4.023 20 30 DIEDHM C=CCN(C(=O)c1c([O-])c(C)nc2ccccc21)C1CCCCC1 ZINC001149197837 1047557847 /nfs/dbraw/zinc/55/78/47/1047557847.db2.gz PSSKJHOPFMUUNE-UHFFFAOYSA-N -1 3 324.424 4.210 20 30 DIEDHM N#Cc1cc(Nc2ccc([O-])c(F)c2)ccc1N1CCCCC1 ZINC001174738098 1047958737 /nfs/dbraw/zinc/95/87/37/1047958737.db2.gz VBYYNDKOZQYZBV-UHFFFAOYSA-N -1 3 311.360 4.137 20 30 DIEDHM CCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001184314798 1048021167 /nfs/dbraw/zinc/02/11/67/1048021167.db2.gz LBXKTVJEEUHFHM-CHWSQXEVSA-N -1 3 302.201 4.115 20 30 DIEDHM CCCCN([O-])C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001184314801 1048022436 /nfs/dbraw/zinc/02/24/36/1048022436.db2.gz LBXKTVJEEUHFHM-STQMWFEESA-N -1 3 302.201 4.115 20 30 DIEDHM CCCCN([O-])C(=O)c1sc2cccc(F)c2c1Cl ZINC001184315358 1048024026 /nfs/dbraw/zinc/02/40/26/1048024026.db2.gz XPECPDHQZOMPSI-UHFFFAOYSA-N -1 3 301.770 4.325 20 30 DIEDHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001184292985 1048025362 /nfs/dbraw/zinc/02/53/62/1048025362.db2.gz ACTCUKIJYNQOBF-DLBZAZTESA-N -1 3 303.446 4.299 20 30 DIEDHM Cc1cc(Cl)ccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283063 1048026514 /nfs/dbraw/zinc/02/65/14/1048026514.db2.gz BMCIIQSOHXTIBQ-UHFFFAOYSA-N -1 3 310.180 4.333 20 30 DIEDHM O=C([C@H]1CCCC[C@@H]1C1CC1)N([O-])CCCCc1ccccc1 ZINC001184293279 1048028161 /nfs/dbraw/zinc/02/81/61/1048028161.db2.gz MQGPMOAYIGABRJ-MOPGFXCFSA-N -1 3 315.457 4.444 20 30 DIEDHM Cc1ccc(C)c(CC(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001184339463 1048030742 /nfs/dbraw/zinc/03/07/42/1048030742.db2.gz DJTZCCSUDOZXTC-UHFFFAOYSA-N -1 3 319.404 4.417 20 30 DIEDHM N#Cc1ccc(NC(=O)Nc2c([O-])ccc3ccccc32)cc1 ZINC001184753655 1048085531 /nfs/dbraw/zinc/08/55/31/1048085531.db2.gz DFPCDQBMKOUBKD-UHFFFAOYSA-N -1 3 303.321 4.061 20 30 DIEDHM Cc1cccc(C2(CC(=O)Nc3ccc([O-])c(C#N)c3)CCC2)c1 ZINC001185087871 1048126175 /nfs/dbraw/zinc/12/61/75/1048126175.db2.gz VXFLFFBOZVVZEK-UHFFFAOYSA-N -1 3 320.392 4.023 20 30 DIEDHM C[C@@H](Cc1cccc(F)c1)C(=O)N([O-])Cc1ccccc1Cl ZINC001161807143 1048173245 /nfs/dbraw/zinc/17/32/45/1048173245.db2.gz DEFZBJCFOCATDL-LBPRGKRZSA-N -1 3 321.779 4.076 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC001161826483 1048179066 /nfs/dbraw/zinc/17/90/66/1048179066.db2.gz BLUTYFMEXKTPIC-CQSZACIVSA-N -1 3 302.418 4.080 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC001161826740 1048181399 /nfs/dbraw/zinc/18/13/99/1048181399.db2.gz KWERSYWEAXIECK-HNNXBMFYSA-N -1 3 319.445 4.427 20 30 DIEDHM CC(C)(C)c1cc(C(=O)N([O-])Cc2cccc3ccccc32)no1 ZINC001161843073 1048182618 /nfs/dbraw/zinc/18/26/18/1048182618.db2.gz ZYMDOCYVOPTUHT-UHFFFAOYSA-N -1 3 324.380 4.157 20 30 DIEDHM O=C([C@@H]1CCC[C@@H]2CCCC[C@H]12)N([O-])Cc1ccc(F)cc1 ZINC001161848338 1048187297 /nfs/dbraw/zinc/18/72/97/1048187297.db2.gz AWSXWUOAFNOOSJ-BHYGNILZSA-N -1 3 305.393 4.150 20 30 DIEDHM [O-]c1cc(F)c(F)cc1Nc1c(F)c(F)c(F)c(F)c1F ZINC001175385332 1048293933 /nfs/dbraw/zinc/29/39/33/1048293933.db2.gz XGGAZQRUUZYICY-UHFFFAOYSA-N -1 3 311.156 4.110 20 30 DIEDHM CC(C)(C)c1noc([N-]C(=O)Nc2ccccc2Cl)c1C#N ZINC001202053669 1048430756 /nfs/dbraw/zinc/43/07/56/1048430756.db2.gz ZUOQOSBSCHDTRC-UHFFFAOYSA-N -1 3 318.764 4.141 20 30 DIEDHM CCCCCCCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001188290422 1048492954 /nfs/dbraw/zinc/49/29/54/1048492954.db2.gz USIZXTUPXSLIEE-UHFFFAOYSA-N -1 3 323.911 4.349 20 30 DIEDHM COc1c(Cl)cc(Nc2cc(C#N)ccc2[O-])cc1Cl ZINC001176312874 1048647800 /nfs/dbraw/zinc/64/78/00/1048647800.db2.gz UYYXBQFVSUGBFC-UHFFFAOYSA-N -1 3 309.152 4.323 20 30 DIEDHM CCCOc1ccc(Nc2ccc([O-])c(C#N)c2)c(F)c1F ZINC001203696604 1048967660 /nfs/dbraw/zinc/96/76/60/1048967660.db2.gz JBRHHOMDDZACKU-UHFFFAOYSA-N -1 3 304.296 4.074 20 30 DIEDHM CCCOc1ccc(Nc2cc(C#N)ccc2[O-])c(F)c1F ZINC001203697235 1048969785 /nfs/dbraw/zinc/96/97/85/1048969785.db2.gz UTQFIVSKKNQRPW-UHFFFAOYSA-N -1 3 304.296 4.074 20 30 DIEDHM C[C@@H](CC(F)(F)F)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904174028 1048999600 /nfs/dbraw/zinc/99/96/00/1048999600.db2.gz ZBTYLNOCKJMBFC-NSHDSACASA-N -1 3 311.303 4.146 20 30 DIEDHM CC(=N[N-]c1nc2cccnc2s1)c1csc(C(C)C)n1 ZINC000857218436 1049133787 /nfs/dbraw/zinc/13/37/87/1049133787.db2.gz LHKUHMWIKKELTN-UHFFFAOYSA-N -1 3 317.443 4.107 20 30 DIEDHM N#Cc1ccc2nccc(-c3ccc([O-])cc3C(F)(F)F)c2c1 ZINC001205092765 1049373792 /nfs/dbraw/zinc/37/37/92/1049373792.db2.gz MLUPRJPAQBYBDD-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM C=CCCOc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001195140787 1049482049 /nfs/dbraw/zinc/48/20/49/1049482049.db2.gz GXLBXSWHIPCLAT-UHFFFAOYSA-N -1 3 317.772 4.253 20 30 DIEDHM CCOc1cc(/C=C/C(=O)c2occc2C)cc(Cl)c1[O-] ZINC000119024629 1049508187 /nfs/dbraw/zinc/50/81/87/1049508187.db2.gz IMQJQYYYCSEQGX-SNAWJCMRSA-N -1 3 306.745 4.242 20 30 DIEDHM COC1(CC(C)N=Nc2nc3ccccc3[n-]c2=S)CCC1 ZINC000863124954 1049535699 /nfs/dbraw/zinc/53/56/99/1049535699.db2.gz IRBJCRIIGBDGQO-UHFFFAOYSA-N -1 3 316.430 4.039 20 30 DIEDHM COc1cc(C#N)ccc1Nc1cccc(C(F)(F)F)c1[O-] ZINC001209461964 1050061330 /nfs/dbraw/zinc/06/13/30/1050061330.db2.gz NKBDDJHOHZMFQR-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1sccc1F ZINC000590231970 1050081887 /nfs/dbraw/zinc/08/18/87/1050081887.db2.gz DQKDWPWRVKHLHC-JTQLQIEISA-N -1 3 320.414 4.391 20 30 DIEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3sccc3F)sc2C1 ZINC000590974142 1050115826 /nfs/dbraw/zinc/11/58/26/1050115826.db2.gz QJEYIFVKQIGLRW-QMMMGPOBSA-N -1 3 320.414 4.197 20 30 DIEDHM CC(=O)c1ccc(Nc2ccc([O-])c(C(F)(F)F)c2)c(C#N)c1 ZINC001209987209 1050117554 /nfs/dbraw/zinc/11/75/54/1050117554.db2.gz KZLISSDUJBQSDU-UHFFFAOYSA-N 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/nfs/dbraw/zinc/58/35/95/1050583595.db2.gz LLRUKDDNOBSDSK-UHFFFAOYSA-N -1 3 322.412 4.171 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccc(N2CC=CC2)cc1 ZINC000740615784 1050613857 /nfs/dbraw/zinc/61/38/57/1050613857.db2.gz ATOOMNWXNKTDQV-DEDYPNTBSA-N -1 3 312.800 4.041 20 30 DIEDHM C=C(C)CO[N-]C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC001144639950 1050635774 /nfs/dbraw/zinc/63/57/74/1050635774.db2.gz ISQSZGOCIRHXSC-UHFFFAOYSA-N -1 3 301.386 4.031 20 30 DIEDHM C=CCCN(Cc1ccccc1)Cc1cc(F)c([O-])cc1F ZINC001144665672 1050645189 /nfs/dbraw/zinc/64/51/89/1050645189.db2.gz CPCQCSKMLMUGKO-UHFFFAOYSA-N -1 3 303.352 4.249 20 30 DIEDHM CC[C@@H](/N=C\c1cc(Br)ccc1[O-])c1ccncc1 ZINC000741466018 1050682369 /nfs/dbraw/zinc/68/23/69/1050682369.db2.gz BEBKXZHBMXQWFR-FNHQQPGVSA-N -1 3 319.202 4.120 20 30 DIEDHM CCO[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])C12CCCC2 ZINC000743044011 1050978809 /nfs/dbraw/zinc/97/88/09/1050978809.db2.gz CMRPLMBQNHZMNN-DEKPZMAWSA-N -1 3 307.821 4.202 20 30 DIEDHM CCCOc1ccc(F)c(Nc2ccc([O-])c(C#N)c2)c1F ZINC001215567544 1051248434 /nfs/dbraw/zinc/24/84/34/1051248434.db2.gz DDMJDLBODIHUOA-UHFFFAOYSA-N -1 3 304.296 4.074 20 30 DIEDHM CNc1ccc(C#N)cc1Nc1ccc(C(F)(F)F)cc1[O-] ZINC001212633539 1051259316 /nfs/dbraw/zinc/25/93/16/1051259316.db2.gz UVPYMWDUFYPLJO-UHFFFAOYSA-N -1 3 307.275 4.068 20 30 DIEDHM N#CCCCOC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746079089 1051317215 /nfs/dbraw/zinc/31/72/15/1051317215.db2.gz MIWJASFSJDELLY-UHFFFAOYSA-N -1 3 315.756 4.173 20 30 DIEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000793668431 1051331911 /nfs/dbraw/zinc/33/19/11/1051331911.db2.gz NMBLANYYUNMVLJ-AZUZPMOESA-N -1 3 321.829 4.229 20 30 DIEDHM Cc1ccc(F)c(Nc2cc(C#N)ccc2Br)c1[O-] ZINC001215742249 1051336937 /nfs/dbraw/zinc/33/69/37/1051336937.db2.gz HZVZSBITRAQHSO-UHFFFAOYSA-N -1 3 321.149 4.218 20 30 DIEDHM CCCCCCCC[C@@H](CC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001172502940 1051423039 /nfs/dbraw/zinc/42/30/39/1051423039.db2.gz NUPFWZBQCOPNFA-OAHLLOKOSA-N -1 3 307.415 4.063 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2cc(-c3ccccc3)cnc2F)c1 ZINC001216071826 1051562842 /nfs/dbraw/zinc/56/28/42/1051562842.db2.gz KTMHKIPADDCQFP-UHFFFAOYSA-N -1 3 305.312 4.209 20 30 DIEDHM Cc1c2ccc(F)cc2sc1C([O-])=C(C#N)c1ccccn1 ZINC000805854824 1051692486 /nfs/dbraw/zinc/69/24/86/1051692486.db2.gz YQWZRVWLNVXZCL-ZDUSSCGKSA-N -1 3 310.353 4.234 20 30 DIEDHM CC(C)(C#N)CCCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000768890521 1051978358 /nfs/dbraw/zinc/97/83/58/1051978358.db2.gz LCHOUXUMRLHITK-UHFFFAOYSA-N -1 3 321.392 4.117 20 30 DIEDHM COc1cccc(N=Cc2cc(Br)ccc2[O-])c1F ZINC000769718147 1052097255 /nfs/dbraw/zinc/09/72/55/1052097255.db2.gz IEAKNTSFQSCFBK-UHFFFAOYSA-N -1 3 324.149 4.053 20 30 DIEDHM C=CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C(C)C ZINC000769763199 1052102033 /nfs/dbraw/zinc/10/20/33/1052102033.db2.gz WFGKIIGDFKQFAA-UHFFFAOYSA-N -1 3 309.409 4.020 20 30 DIEDHM Nc1ccc(O[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)cc1 ZINC001218223853 1052210379 /nfs/dbraw/zinc/21/03/79/1052210379.db2.gz XCIXYLLYGXFNNP-VZFXBBDVSA-N -1 3 318.376 4.267 20 30 DIEDHM CCCCCCCCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000915192599 1052363497 /nfs/dbraw/zinc/36/34/97/1052363497.db2.gz YHIIFWKXSBWKHK-UHFFFAOYSA-N -1 3 314.429 4.009 20 30 DIEDHM COc1cccc(C(F)(F)F)c1CNc1cccc(/C=N/[O-])c1 ZINC001168490455 1052385589 /nfs/dbraw/zinc/38/55/89/1052385589.db2.gz BSVLHNRNPILRLX-ZVBGSRNCSA-N -1 3 324.302 4.134 20 30 DIEDHM CC[C@H](C)[C@@H](C)O/C(=N\[O-])c1ccccc1Br ZINC001223885167 1052647099 /nfs/dbraw/zinc/64/70/99/1052647099.db2.gz ZJFRIKGCIZCFKS-IUTXGDHPSA-N -1 3 300.196 4.036 20 30 DIEDHM CC[C@H](C)[C@H](C)O/C(=N\[O-])c1ccccc1Br ZINC001223885166 1052647138 /nfs/dbraw/zinc/64/71/38/1052647138.db2.gz ZJFRIKGCIZCFKS-AUUQUMIYSA-N -1 3 300.196 4.036 20 30 DIEDHM C=C[C@@H](CCCC)O/C(=N\[O-])c1ccccc1Br ZINC001223885715 1052647846 /nfs/dbraw/zinc/64/78/46/1052647846.db2.gz HNZVDAJAGAPWEC-NLPIWRNCSA-N -1 3 312.207 4.346 20 30 DIEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1ccccc1C(F)(F)F ZINC001223977630 1052657525 /nfs/dbraw/zinc/65/75/25/1052657525.db2.gz LWCBVIGBLUFFML-JEPWKTLESA-N -1 3 310.275 4.014 20 30 DIEDHM C=CC[C@H](Oc1[n-]c(C)cc(=O)c1C#N)c1ccc(Cl)cc1 ZINC001225468551 1052792434 /nfs/dbraw/zinc/79/24/34/1052792434.db2.gz AQVDKLQUUVWAIW-INIZCTEOSA-N -1 3 314.772 4.317 20 30 DIEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2ccc(C(F)(F)F)cc2)[n-]1 ZINC001225467694 1052792493 /nfs/dbraw/zinc/79/24/93/1052792493.db2.gz VQRPKLCJVAPVCO-SNVBAGLBSA-N -1 3 322.286 4.126 20 30 DIEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccc(Cl)c(Cl)c2)[n-]1 ZINC001225470067 1052793414 /nfs/dbraw/zinc/79/34/14/1052793414.db2.gz QBFJZUIMTHLAAJ-VIFPVBQESA-N -1 3 323.179 4.414 20 30 DIEDHM C=C[C@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1ccccc1 ZINC001225851214 1052839238 /nfs/dbraw/zinc/83/92/38/1052839238.db2.gz STBKXEAFKVMHRB-JTQLQIEISA-N -1 3 312.316 4.090 20 30 DIEDHM CCC[C@H](C#Cc1ccccc1)Oc1cc(C(C)=O)ccc1[O-] ZINC001225995956 1052857019 /nfs/dbraw/zinc/85/70/19/1052857019.db2.gz VPVNOLWADPYEQL-GOSISDBHSA-N -1 3 308.377 4.194 20 30 DIEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1c([O-])ccc(C(C)=O)c1O ZINC001226483334 1052901065 /nfs/dbraw/zinc/90/10/65/1052901065.db2.gz WCTPPUXDPFVJEI-PVXIVEMSSA-N -1 3 304.386 4.060 20 30 DIEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598547 1052914461 /nfs/dbraw/zinc/91/44/61/1052914461.db2.gz DSCZRGOHMMPRQT-NOLJZWGESA-N -1 3 314.381 4.258 20 30 DIEDHM O=C(c1cc(Cl)ccc1Cl)N([O-])Cc1ccc(F)cc1 ZINC000901378953 1052938868 /nfs/dbraw/zinc/93/88/68/1052938868.db2.gz NGTWVYIEBXUDNW-UHFFFAOYSA-N -1 3 314.143 4.164 20 30 DIEDHM [O-]c1c(O)ccc(C=Nc2ccc(Oc3ccccc3)cc2)c1O ZINC000920945693 1052956790 /nfs/dbraw/zinc/95/67/90/1052956790.db2.gz APZIMRZZJRBATI-UHFFFAOYSA-N -1 3 321.332 4.346 20 30 DIEDHM C=C[C@H](Oc1c([O-])ccc2c(C)cc(=O)oc21)c1ccccc1 ZINC001228623015 1053147466 /nfs/dbraw/zinc/14/74/66/1053147466.db2.gz OKQOPAYCSONNHQ-INIZCTEOSA-N -1 3 308.333 4.113 20 30 DIEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853712 1053192062 /nfs/dbraw/zinc/19/20/62/1053192062.db2.gz JZOKJCKOLXLPFK-UVBSCNOISA-N -1 3 300.398 4.281 20 30 DIEDHM C=C(C)C[C@H](Oc1cc(O)cc([O-])c1Br)C(=C)C ZINC001229097318 1053246097 /nfs/dbraw/zinc/24/60/97/1053246097.db2.gz SGMDVXCYKPXWDS-LBPRGKRZSA-N -1 3 313.191 4.150 20 30 DIEDHM C#C[C@@H]1CCC[C@@H]1Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229536313 1053347838 /nfs/dbraw/zinc/34/78/38/1053347838.db2.gz BUSMYXCJUNZANC-BEFAXECRSA-N -1 3 320.388 4.112 20 30 DIEDHM C[C@@H](Oc1ccccc1/C=N/c1ccccc1[O-])c1ncccn1 ZINC001229933222 1053433719 /nfs/dbraw/zinc/43/37/19/1053433719.db2.gz NNBVASGDAUNISJ-CYGNYLSHSA-N -1 3 319.364 4.073 20 30 DIEDHM C#C[C@@H]1CCC[C@H]1Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229936755 1053434240 /nfs/dbraw/zinc/43/42/40/1053434240.db2.gz FZADEYKQQXLQLB-KKFBNQRMSA-N -1 3 305.377 4.324 20 30 DIEDHM C[C@@H](Oc1ccccc1/C=N/c1ccccc1[O-])c1cncnc1 ZINC001229937395 1053434340 /nfs/dbraw/zinc/43/43/40/1053434340.db2.gz MAJLLARTBGDAMC-LVCXCXRVSA-N -1 3 319.364 4.073 20 30 DIEDHM C[C@H]1C[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])CCO1 ZINC001229938352 1053434613 /nfs/dbraw/zinc/43/46/13/1053434613.db2.gz VBDCQTLVXDLXHD-NTGHFPBUSA-N -1 3 311.381 4.089 20 30 DIEDHM C[C@H]1CC[C@@H](COc2ccccc2/C=N/c2ccccc2[O-])O1 ZINC001229934151 1053434870 /nfs/dbraw/zinc/43/48/70/1053434870.db2.gz VPGYLLSUIBOUMH-AHZNIFGXSA-N -1 3 311.381 4.089 20 30 DIEDHM C#C[C@H]1CCC[C@H]1Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229936756 1053435056 /nfs/dbraw/zinc/43/50/56/1053435056.db2.gz FZADEYKQQXLQLB-LAGKDRCJSA-N -1 3 305.377 4.324 20 30 DIEDHM COc1cccc2cc(C/N=C/c3cc(Cl)ccc3[O-])oc21 ZINC001326022350 1053744650 /nfs/dbraw/zinc/74/46/50/1053744650.db2.gz PPGUEUYCMOWHKL-DJKKODMXSA-N -1 3 315.756 4.420 20 30 DIEDHM CN(Cc1cc(Cl)cc(Cl)c1)Cc1cc(C#N)ccc1[O-] ZINC001232681189 1054098167 /nfs/dbraw/zinc/09/81/67/1054098167.db2.gz LUXZVSLPMXTHEW-UHFFFAOYSA-N -1 3 321.207 4.203 20 30 DIEDHM O=C([C@H]1CCC[C@@H](F)C1)N([O-])Cc1cccc2ccccc21 ZINC001332008052 1054106421 /nfs/dbraw/zinc/10/64/21/1054106421.db2.gz UMDWLEBJOVQPAP-GOEBONIOSA-N -1 3 301.361 4.086 20 30 DIEDHM O=C([C@H]1CC12CCCC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001333203705 1054146590 /nfs/dbraw/zinc/14/65/90/1054146590.db2.gz LXSCCYRWLBWZHU-CYBMUJFWSA-N -1 3 314.212 4.292 20 30 DIEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)c(Cl)c1Cl ZINC001335972712 1054228125 /nfs/dbraw/zinc/22/81/25/1054228125.db2.gz NSPFOBFUOZLTFZ-UHFFFAOYSA-N -1 3 312.152 4.169 20 30 DIEDHM CCN(Cc1ccc(C#N)cc1[O-])Cc1c(F)cccc1Cl ZINC001233387490 1054256603 /nfs/dbraw/zinc/25/66/03/1054256603.db2.gz LDIHBXPTVWZQCZ-UHFFFAOYSA-N -1 3 318.779 4.078 20 30 DIEDHM N#CC=C([O-])c1ccccc1O[C@@H](c1ccccc1)C(F)(F)F ZINC001233522408 1054287397 /nfs/dbraw/zinc/28/73/97/1054287397.db2.gz HLBKRWHOMBXMRY-INIZCTEOSA-N -1 3 319.282 4.465 20 30 DIEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2ccc(/C=N/[O-])cc2OC)C1 ZINC001233800451 1054360514 /nfs/dbraw/zinc/36/05/14/1054360514.db2.gz QPXOGSHESIMWBQ-DUBSOOLMSA-N -1 3 301.386 4.183 20 30 DIEDHM CC[C@H](Oc1ccc(/C=N/[O-])cc1OC)c1cccc(F)c1C ZINC001233802826 1054362901 /nfs/dbraw/zinc/36/29/01/1054362901.db2.gz IYJQQLOYLVFOLH-YODDIOPGSA-N -1 3 317.360 4.481 20 30 DIEDHM CC[C@@H](Oc1ccc(/C=N/[O-])cc1OC)c1cccc(F)c1C ZINC001233802824 1054363067 /nfs/dbraw/zinc/36/30/67/1054363067.db2.gz IYJQQLOYLVFOLH-MBTVCVBTSA-N -1 3 317.360 4.481 20 30 DIEDHM N#CC(=C([O-])c1cc(C2CC2)oc1C1CC1)c1cccc(F)n1 ZINC001342880573 1054431341 /nfs/dbraw/zinc/43/13/41/1054431341.db2.gz PQVKBEZNQWPXFF-ZDUSSCGKSA-N -1 3 310.328 4.059 20 30 DIEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2c(Cl)ccc([O-])c2F)O1 ZINC001234263930 1054479926 /nfs/dbraw/zinc/47/99/26/1054479926.db2.gz KPTRISBPGWCHPJ-MLGOLLRUSA-N -1 3 314.784 4.466 20 30 DIEDHM C=C(C)CO[N-]C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001452773508 1054714799 /nfs/dbraw/zinc/71/47/99/1054714799.db2.gz HKOUFKHQKBBLQT-UHFFFAOYSA-N -1 3 316.228 4.330 20 30 DIEDHM C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])Oc1cccc(F)c1 ZINC000741841927 1055299769 /nfs/dbraw/zinc/29/97/69/1055299769.db2.gz CUFWXSYQPMOMLC-VSMYLPJWSA-N -1 3 307.752 4.071 20 30 DIEDHM O=C(c1cc(Cl)ccc1F)N([O-])Cc1ccccc1Cl ZINC001649040368 1055599789 /nfs/dbraw/zinc/59/97/89/1055599789.db2.gz COFDJUBQCCPJQO-UHFFFAOYSA-N -1 3 314.143 4.164 20 30 DIEDHM CCCCCCN([O-])C(=O)C1(c2c(F)cccc2F)CCC1 ZINC001649056526 1055784133 /nfs/dbraw/zinc/78/41/33/1055784133.db2.gz CEQKKGAINDLMMA-UHFFFAOYSA-N -1 3 311.372 4.185 20 30 DIEDHM CCCCCCN([O-])C(=O)c1ncsc1Nc1ccccc1 ZINC001649056943 1055788573 /nfs/dbraw/zinc/78/85/73/1055788573.db2.gz MHRLTBNKUWHBRB-UHFFFAOYSA-N -1 3 319.430 4.298 20 30 DIEDHM CCCCN([O-])C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC001649061515 1055827918 /nfs/dbraw/zinc/82/79/18/1055827918.db2.gz PGDKCLGOIWDANJ-CYBMUJFWSA-N -1 3 303.324 4.217 20 30 DIEDHM C#Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c(Cl)c1 ZINC001598582474 1055958786 /nfs/dbraw/zinc/95/87/86/1055958786.db2.gz BXBPBKLINSAZAF-UHFFFAOYSA-N -1 3 321.763 4.432 20 30 DIEDHM CN(Cc1ccccc1)c1ccc(-c2ccccc2C=N[O-])cn1 ZINC001239666574 1056013378 /nfs/dbraw/zinc/01/33/78/1056013378.db2.gz STXNTPFITYUXGD-UHFFFAOYSA-N -1 3 317.392 4.193 20 30 DIEDHM C=C(C)COc1cccc(NC(=O)c2cccc(CC)c2[O-])c1 ZINC001542810422 1056156067 /nfs/dbraw/zinc/15/60/67/1056156067.db2.gz BEJXGMLTLVFSDJ-UHFFFAOYSA-N -1 3 311.381 4.162 20 30 DIEDHM Cc1csc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC001611642069 1056176470 /nfs/dbraw/zinc/17/64/70/1056176470.db2.gz CBJRTGHGDQALBY-UHFFFAOYSA-N -1 3 316.209 4.395 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1cccc(OCC=C(C)C)c1 ZINC001611655833 1056178886 /nfs/dbraw/zinc/17/88/86/1056178886.db2.gz TXLKFRVIXGFCSZ-UHFFFAOYSA-N -1 3 319.445 4.372 20 30 DIEDHM CCCCN([O-])C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001611658214 1056179100 /nfs/dbraw/zinc/17/91/00/1056179100.db2.gz YZLLKUOLVJSCDZ-UHFFFAOYSA-N -1 3 309.475 4.235 20 30 DIEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)c2nccc(C)c2c1 ZINC001611666898 1056180507 /nfs/dbraw/zinc/18/05/07/1056180507.db2.gz GPFLXOLTSKOWAV-UHFFFAOYSA-N -1 3 324.355 4.022 20 30 DIEDHM O=C(c1cc2ncccc2o1)N([O-])Cc1cccc2ccccc21 ZINC001611662774 1056180796 /nfs/dbraw/zinc/18/07/96/1056180796.db2.gz VWBXVWQVIOTVRB-UHFFFAOYSA-N -1 3 318.332 4.013 20 30 DIEDHM O=C(c1ncsc1C1CC1)N([O-])Cc1cccc2ccccc21 ZINC001611662662 1056180884 /nfs/dbraw/zinc/18/08/84/1056180884.db2.gz RCCACOYJYWDKPL-UHFFFAOYSA-N -1 3 324.405 4.205 20 30 DIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc[nH]c2C2CC2)s1 ZINC000347781943 1057100801 /nfs/dbraw/zinc/10/08/01/1057100801.db2.gz VOSANAAVMTXOOQ-GFCCVEGCSA-N -1 3 313.426 4.136 20 30 DIEDHM N#Cc1c[nH]c2ccc(-c3cc(C(F)(F)F)ccc3[O-])cc12 ZINC001242140157 1057276988 /nfs/dbraw/zinc/27/69/88/1057276988.db2.gz ZKARIMIBGAOJQE-UHFFFAOYSA-N -1 3 302.255 4.431 20 30 DIEDHM [O-]/N=C1/CCc2cc(-c3cc(C(F)(F)F)ccc3O)ccc21 ZINC001242145265 1057279133 /nfs/dbraw/zinc/27/91/33/1057279133.db2.gz JPYUDXFCSRMVAF-ZHZULCJRSA-N -1 3 307.271 4.203 20 30 DIEDHM N#CCOc1cc(F)ccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242158462 1057284738 /nfs/dbraw/zinc/28/47/38/1057284738.db2.gz ZVAOXPLUVVKAOI-UHFFFAOYSA-N -1 3 311.234 4.119 20 30 DIEDHM N#Cc1ccc2c(c1)nccc2-c1cc([O-])cc(C(F)(F)F)c1 ZINC001242781827 1057473718 /nfs/dbraw/zinc/47/37/18/1057473718.db2.gz AHYHATMNYDXRSZ-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM N#Cc1c[nH]c2cc(-c3cc([O-])cc(C(F)(F)F)c3)ccc12 ZINC001242782702 1057474234 /nfs/dbraw/zinc/47/42/34/1057474234.db2.gz WZPHJWLIJMIPOU-UHFFFAOYSA-N -1 3 302.255 4.431 20 30 DIEDHM CC(N=Nc1ncc(Cl)cc1Cl)c1ccc(F)cc1[O-] ZINC000727776665 1057669495 /nfs/dbraw/zinc/66/94/95/1057669495.db2.gz DXEHNJVVHQWZPH-UHFFFAOYSA-N -1 3 314.147 4.069 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccc(F)c1F ZINC000730729139 1057721685 /nfs/dbraw/zinc/72/16/85/1057721685.db2.gz FEUDQWULVRRBIR-LRUQUBRESA-N -1 3 304.267 4.193 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCOc2ccccc21 ZINC000731155979 1057735905 /nfs/dbraw/zinc/73/59/05/1057735905.db2.gz XQMBHGFAUFLDBH-ZGXHQARYSA-N -1 3 301.773 4.031 20 30 DIEDHM COc1cc([O-])ccc1-c1nc(-c2ccc(F)cc2)ccc1C#N ZINC001243980335 1057828098 /nfs/dbraw/zinc/82/80/98/1057828098.db2.gz NEYAUTGHNYITNK-UHFFFAOYSA-N -1 3 320.323 4.141 20 30 DIEDHM N#CC1(c2cccc(-c3cc(C(F)(F)F)[n-]c(=S)n3)c2)CC1 ZINC001244075495 1057859813 /nfs/dbraw/zinc/85/98/13/1057859813.db2.gz PXINJCJFOCVHGR-UHFFFAOYSA-N -1 3 321.327 4.006 20 30 DIEDHM Cc1cc(-c2cc(OC(F)(F)F)ccc2[O-])cc(F)c1C#N ZINC001244460718 1057964951 /nfs/dbraw/zinc/96/49/51/1057964951.db2.gz QXVSBIUWNYPWGL-UHFFFAOYSA-N -1 3 311.234 4.277 20 30 DIEDHM N#Cc1c(F)cc(-c2ccc(OC(F)(F)F)cc2[O-])cc1F ZINC001244465479 1057966997 /nfs/dbraw/zinc/96/69/97/1057966997.db2.gz IMIPEJBMYFNPJS-UHFFFAOYSA-N -1 3 315.197 4.108 20 30 DIEDHM N#Cc1cc2[nH]ccc2c(-c2ccc(OC(F)(F)F)cc2[O-])c1 ZINC001244468156 1057967284 /nfs/dbraw/zinc/96/72/84/1057967284.db2.gz LNUMZKDCKAWTMO-UHFFFAOYSA-N -1 3 318.254 4.311 20 30 DIEDHM COc1cc(CCC#N)c(-c2ccc(Cl)cc2[O-])cc1OC ZINC001244469673 1057968077 /nfs/dbraw/zinc/96/80/77/1057968077.db2.gz PNRGOPUOPBWYIB-UHFFFAOYSA-N -1 3 317.772 4.186 20 30 DIEDHM N#CC1(c2ccccc2-c2ccc(Cl)cc2[O-])CCOCC1 ZINC001244473762 1057969804 /nfs/dbraw/zinc/96/98/04/1057969804.db2.gz ZGSMCFCYYBGKDA-UHFFFAOYSA-N -1 3 313.784 4.284 20 30 DIEDHM COc1cc(-c2ccc3c(c2)CC/C3=N/[O-])ccc1OC(C)C ZINC001244888908 1058066648 /nfs/dbraw/zinc/06/66/48/1058066648.db2.gz QOLHKPKYSIQKBQ-JZJYNLBNSA-N -1 3 311.381 4.274 20 30 DIEDHM N#CC(=C([O-])c1csc(C2CCCCC2)c1)c1ccncn1 ZINC001518076049 1058312774 /nfs/dbraw/zinc/31/27/74/1058312774.db2.gz KIBUEGYNTWIQKO-CQSZACIVSA-N -1 3 311.410 4.076 20 30 DIEDHM N#Cc1ccc(NC(=S)Nc2cc3ccccc3cc2[O-])cc1 ZINC001245915243 1058616868 /nfs/dbraw/zinc/61/68/68/1058616868.db2.gz VNALOXWZYKXQIA-UHFFFAOYSA-N -1 3 319.389 4.226 20 30 DIEDHM Cc1cccc(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c1[O-] ZINC001556707900 1058632495 /nfs/dbraw/zinc/63/24/95/1058632495.db2.gz JIFSIOZAVFJUDQ-UHFFFAOYSA-N -1 3 324.380 4.002 20 30 DIEDHM CC1(CCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001559031580 1058940074 /nfs/dbraw/zinc/94/00/74/1058940074.db2.gz MRIRRZLWLWKCEL-UHFFFAOYSA-N -1 3 302.201 4.292 20 30 DIEDHM O=C(c1nccc2occc21)N([O-])Cc1cccc2ccccc21 ZINC001559036701 1058940882 /nfs/dbraw/zinc/94/08/82/1058940882.db2.gz UHBOXSMVRXWCRK-UHFFFAOYSA-N -1 3 318.332 4.013 20 30 DIEDHM CCCCN([O-])C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001559035205 1058942358 /nfs/dbraw/zinc/94/23/58/1058942358.db2.gz HENQFLKYWUCVCO-LLVKDONJSA-N -1 3 303.324 4.217 20 30 DIEDHM N#CC1(CC(=O)N([O-])CCCCc2ccccc2)CCCCC1 ZINC001559034249 1058942787 /nfs/dbraw/zinc/94/27/87/1058942787.db2.gz SBODNFVYCCMIGH-UHFFFAOYSA-N -1 3 314.429 4.091 20 30 DIEDHM CCCCCCN([O-])C(=O)CCCc1c[nH]c2ccccc12 ZINC001559034545 1058943351 /nfs/dbraw/zinc/94/33/51/1058943351.db2.gz FMTSEMAMXGYJRM-UHFFFAOYSA-N -1 3 302.418 4.289 20 30 DIEDHM CC(C)(C)Cc1ccccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001559036942 1058943495 /nfs/dbraw/zinc/94/34/95/1058943495.db2.gz CEORENJCYSPDGS-UHFFFAOYSA-N -1 3 315.388 4.446 20 30 DIEDHM CC(C)(C)c1cc([O-])c(CN2CCCC[C@H]2C#N)cc1Cl ZINC001248883229 1060038856 /nfs/dbraw/zinc/03/88/56/1060038856.db2.gz BMOZSPVXKKWZNG-ZDUSSCGKSA-N -1 3 306.837 4.221 20 30 DIEDHM Fc1c2nc(-c3ccc(C(F)(F)F)o3)[n-]c2c(F)c(F)c1F ZINC001251107828 1061238815 /nfs/dbraw/zinc/23/88/15/1061238815.db2.gz PIOCFMSNTXOKHD-UHFFFAOYSA-N -1 3 324.155 4.398 20 30 DIEDHM CSCCCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457983730 1061525330 /nfs/dbraw/zinc/52/53/30/1061525330.db2.gz NNJHCNKXCCDFAH-UHFFFAOYSA-N -1 3 322.257 4.245 20 30 DIEDHM Cc1ccccc1C[C@@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC001457994108 1061534867 /nfs/dbraw/zinc/53/48/67/1061534867.db2.gz PJZSZFKMIXFKRZ-CQSZACIVSA-N -1 3 317.816 4.245 20 30 DIEDHM O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N([O-])Cc1ccccc1Cl ZINC001457994010 1061536472 /nfs/dbraw/zinc/53/64/72/1061536472.db2.gz OJKHBTITWJJBCV-HUUCEWRRSA-N -1 3 319.763 4.001 20 30 DIEDHM CCCCCCN([O-])C(=O)c1sc(C)cc1OC(F)F ZINC001458009391 1061537591 /nfs/dbraw/zinc/53/75/91/1061537591.db2.gz DJMXBNDAJFITDO-UHFFFAOYSA-N -1 3 307.362 4.070 20 30 DIEDHM O=C([C@@H]1CC[C@@H]2C[C@@H]2CC1)N([O-])Cc1cccc2ccccc21 ZINC001458017449 1061539754 /nfs/dbraw/zinc/53/97/54/1061539754.db2.gz QHVPWBCOIYJTKB-OSYLJGHBSA-N -1 3 309.409 4.384 20 30 DIEDHM CCCCCCN([O-])C(=O)C[C@@H](CC)c1ccc(OC)cc1 ZINC001458012450 1061540052 /nfs/dbraw/zinc/54/00/52/1061540052.db2.gz VSDQNJQVZJQQOI-OAHLLOKOSA-N -1 3 307.434 4.377 20 30 DIEDHM C=CCC[C@@H](O)CNc1cc(Cl)c(CC)c(Cl)c1[O-] ZINC001252609631 1061675747 /nfs/dbraw/zinc/67/57/47/1061675747.db2.gz ZJFQVHNVYLQHTO-SECBINFHSA-N -1 3 304.217 4.000 20 30 DIEDHM CCCCCCCCCCSc1nc2c(cnn2C)c(=O)[n-]1 ZINC001459181824 1062035512 /nfs/dbraw/zinc/03/55/12/1062035512.db2.gz CWODGNYCAGUVLA-UHFFFAOYSA-N -1 3 322.478 4.302 20 30 DIEDHM Cc1cc(C(=O)N([O-])Cc2ccccc2Cl)cc(C)c1F ZINC001472619717 1063108802 /nfs/dbraw/zinc/10/88/02/1063108802.db2.gz DKJBHIMUJYBWRT-UHFFFAOYSA-N -1 3 307.752 4.128 20 30 DIEDHM O=C([C@@H]1CCCc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001472619099 1063109731 /nfs/dbraw/zinc/10/97/31/1063109731.db2.gz WLKBEPHDWRALEM-MRXNPFEDSA-N -1 3 315.800 4.178 20 30 DIEDHM O=C(c1cccc(C(F)F)c1)N([O-])Cc1ccccc1Cl ZINC001472618650 1063110031 /nfs/dbraw/zinc/11/00/31/1063110031.db2.gz BGOBGWYJDGUMHR-UHFFFAOYSA-N -1 3 311.715 4.309 20 30 DIEDHM CCCCCCN([O-])C(=O)CCc1ccc(OC)c(Cl)c1 ZINC001306896934 1065198630 /nfs/dbraw/zinc/19/86/30/1065198630.db2.gz RMXXJGUPEZLYPO-UHFFFAOYSA-N -1 3 313.825 4.079 20 30 DIEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1cc2ccccc2o1 ZINC001306900261 1065200318 /nfs/dbraw/zinc/20/03/18/1065200318.db2.gz LFXNTGOVDUALAE-GFCCVEGCSA-N -1 3 313.328 4.093 20 30 DIEDHM CC(C)c1cc(C(=O)N(C)C2(C#N)CCC2)c([O-])c(C(C)C)c1 ZINC000094054683 335009112 /nfs/dbraw/zinc/00/91/12/335009112.db2.gz RCDLGUXSVXLSTK-UHFFFAOYSA-N -1 3 314.429 4.157 20 30 DIEDHM C[C@H]1CCc2sc([N-]C(=O)c3cncs3)c(C#N)c2[C@H]1C ZINC000297905494 132040220 /nfs/dbraw/zinc/04/02/20/132040220.db2.gz RFVJKQZXCZAWDB-IUCAKERBSA-N -1 3 317.439 4.014 20 30 DIEDHM C[C@H]1CCc2sc([N-]C(=O)c3cscn3)c(C#N)c2[C@H]1C ZINC000298007321 132043875 /nfs/dbraw/zinc/04/38/75/132043875.db2.gz ZGCQSPOTYCANPP-IUCAKERBSA-N -1 3 317.439 4.014 20 30 DIEDHM C=CC1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000574213139 332333631 /nfs/dbraw/zinc/33/36/31/332333631.db2.gz JPHWTVGATDADGN-UHFFFAOYSA-N -1 3 319.401 4.137 20 30 DIEDHM C=C(C)[C@H](Cc1nc(-c2ccc([O-])c3ccccc23)no1)OCC ZINC000293342057 335107276 /nfs/dbraw/zinc/10/72/76/335107276.db2.gz DYRXSAXRVHYAAY-KRWDZBQOSA-N -1 3 324.380 4.119 20 30 DIEDHM CC(C)c1cc(C(=O)N(C)CC(C)(C)C#N)c([O-])c(C(C)C)c1 ZINC000497318335 333235696 /nfs/dbraw/zinc/23/56/96/333235696.db2.gz IJVXNXWBVGNQEO-UHFFFAOYSA-N -1 3 316.445 4.261 20 30 DIEDHM CC(C)(C)c1csc([N-]C(=O)c2c(F)cccc2F)c1C#N ZINC000410925363 333608793 /nfs/dbraw/zinc/60/87/93/333608793.db2.gz GPWCDCNAZRVRLF-UHFFFAOYSA-N -1 3 320.364 4.448 20 30 DIEDHM COc1csc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)c1 ZINC000410926618 333609100 /nfs/dbraw/zinc/60/91/00/333609100.db2.gz IZOJMFMXNWXRCN-UHFFFAOYSA-N -1 3 320.439 4.240 20 30 DIEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2cc(F)ccc2F)s1 ZINC000411004543 333617078 /nfs/dbraw/zinc/61/70/78/333617078.db2.gz CVEIKGNQRDKLQW-UHFFFAOYSA-N -1 3 320.364 4.448 20 30 DIEDHM CC[C@H](C)CO[N-]C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000293396848 334197942 /nfs/dbraw/zinc/19/79/42/334197942.db2.gz QXRGNUFTSRYYJU-STQMWFEESA-N -1 3 321.446 4.180 20 30 DIEDHM CC[C@H](C)CO[N-]C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000293396843 334197961 /nfs/dbraw/zinc/19/79/61/334197961.db2.gz QXRGNUFTSRYYJU-QWHCGFSZSA-N -1 3 321.446 4.180 20 30 DIEDHM C[C@@H]1Cc2sc([N-]C(=O)c3ccsn3)c(C#N)c2[C@@H](C)C1 ZINC000583679671 336397349 /nfs/dbraw/zinc/39/73/49/336397349.db2.gz VGXCEBWIRUKUQR-IUCAKERBSA-N -1 3 317.439 4.014 20 30 DIEDHM C[C@@H]1C[C@H](C)Cc2sc([N-]C(=O)c3ccsn3)c(C#N)c21 ZINC000583679670 336397401 /nfs/dbraw/zinc/39/74/01/336397401.db2.gz VGXCEBWIRUKUQR-DTWKUNHWSA-N -1 3 317.439 4.014 20 30 DIEDHM C=CC[C@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CCCC1(C)C ZINC000277886526 337667241 /nfs/dbraw/zinc/66/72/41/337667241.db2.gz FKIHDMJUVOQEEF-GOSISDBHSA-N -1 3 324.424 4.147 20 30 DIEDHM N#CC(=C([O-])c1cc2sccc2s1)c1nc2ccccc2[nH]1 ZINC000516074920 338003934 /nfs/dbraw/zinc/00/39/34/338003934.db2.gz KGQFWCOYMYZWCA-VIFPVBQESA-N -1 3 323.402 4.329 20 30 DIEDHM N#Cc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)s1 ZINC000436614084 338279920 /nfs/dbraw/zinc/27/99/20/338279920.db2.gz VAJPHXKITIXUAW-UHFFFAOYSA-N -1 3 319.345 4.196 20 30 DIEDHM CCc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c([O-])c1 ZINC000436922989 338293653 /nfs/dbraw/zinc/29/36/53/338293653.db2.gz ALFGNMNNHNUSFJ-SFHVURJKSA-N -1 3 322.408 4.120 20 30 DIEDHM C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])c1cccc(C#N)c1 ZINC000462397142 339078060 /nfs/dbraw/zinc/07/80/60/339078060.db2.gz ZKEMAZIKBIAKKX-ZDUSSCGKSA-N -1 3 322.408 4.304 20 30 DIEDHM C=CCn1c(S[C@H](CC)c2ccc(Cl)cc2)n[n-]c1=O ZINC000470840643 339329070 /nfs/dbraw/zinc/32/90/70/339329070.db2.gz KQRWZWGUXHGRJI-GFCCVEGCSA-N -1 3 309.822 4.067 20 30 DIEDHM Cc1sc([N-]C(=O)c2c(F)ccc(C)c2F)c(C#N)c1C ZINC000499144030 340031034 /nfs/dbraw/zinc/03/10/34/340031034.db2.gz PQVVMSUNFNDPIG-UHFFFAOYSA-N -1 3 306.337 4.076 20 30 DIEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506231281 340189362 /nfs/dbraw/zinc/18/93/62/340189362.db2.gz NLPSENHZSQJCDK-UHFFFAOYSA-N -1 3 308.381 4.122 20 30 DIEDHM C=C[C@H](CC(=O)N1CCCc2cccc([O-])c21)c1ccccc1 ZINC000182925805 340485971 /nfs/dbraw/zinc/48/59/71/340485971.db2.gz HVXVKVMWERIKPD-OAHLLOKOSA-N -1 3 307.393 4.031 20 30 DIEDHM C=C[C@@H](CC(=O)Nc1c([O-])cccc1Cl)c1ccccc1 ZINC000522038390 340563562 /nfs/dbraw/zinc/56/35/62/340563562.db2.gz YFIVXFVVEPCXPK-LBPRGKRZSA-N -1 3 301.773 4.344 20 30 DIEDHM Cc1nc(C([O-])=C(C#N)c2ccccn2)c(-c2ccccc2)s1 ZINC000543582557 341049562 /nfs/dbraw/zinc/04/95/62/341049562.db2.gz OPAPONFCCGRQIR-CQSZACIVSA-N -1 3 319.389 4.004 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2cnc(C(C)C)s2)c1C#N ZINC000132531022 341126387 /nfs/dbraw/zinc/12/63/87/341126387.db2.gz BAAUBMDFGHPCCK-UHFFFAOYSA-N -1 3 319.455 4.323 20 30 DIEDHM N#Cc1cccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000568338917 341666021 /nfs/dbraw/zinc/66/60/21/341666021.db2.gz JJTZIGHTZVBTSQ-UHFFFAOYSA-N -1 3 301.758 4.007 20 30 DIEDHM Cc1csc([N-]C(=O)c2cc(F)c(Cl)cc2F)c1C#N ZINC000573552112 341731567 /nfs/dbraw/zinc/73/15/67/341731567.db2.gz VEXWVVCPFWPDNR-UHFFFAOYSA-N -1 3 312.728 4.112 20 30 DIEDHM N#Cc1ccc(Nc2c([O-])cc(C(F)(F)F)cc2Cl)cn1 ZINC001209646163 1036240213 /nfs/dbraw/zinc/24/02/13/1036240213.db2.gz GTXNTAZQWWNLRD-UHFFFAOYSA-N -1 3 313.666 4.075 20 30 DIEDHM CC(C)C(=O)Nc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255069884 1036464877 /nfs/dbraw/zinc/46/48/77/1036464877.db2.gz KPKSWJBCHBVVGN-UHFFFAOYSA-N -1 3 316.788 4.391 20 30 DIEDHM CC(=NNc1ccc(Br)cc1)c1ccc([O-])c(F)c1 ZINC000728425247 1038437186 /nfs/dbraw/zinc/43/71/86/1038437186.db2.gz FDJQFCHLGONEGU-UHFFFAOYSA-N -1 3 323.165 4.130 20 30 DIEDHM CC(=NNc1cccc2cnccc21)c1cc(Cl)ccc1[O-] ZINC000728432198 1038463888 /nfs/dbraw/zinc/46/38/88/1038463888.db2.gz OULWQDJMZHSPOL-UHFFFAOYSA-N -1 3 311.772 4.430 20 30 DIEDHM N#Cc1ccsc1C(=O)[N-]c1ccccc1SC(F)F ZINC000052028839 1039065311 /nfs/dbraw/zinc/06/53/11/1039065311.db2.gz GTYZJUZGGAKJOT-UHFFFAOYSA-N -1 3 310.350 4.187 20 30 DIEDHM N#CC(=C([O-])C=CSc1ccccc1)c1nc2ccccc2[nH]1 ZINC000255573671 1039411779 /nfs/dbraw/zinc/41/17/79/1039411779.db2.gz BECPVLOOVUFZOG-BMSUMIBZSA-N -1 3 319.389 4.045 20 30 DIEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC2)c1nc(C2CC2)cs1 ZINC000647372622 1040353724 /nfs/dbraw/zinc/35/37/24/1040353724.db2.gz QRQDXPNOPVGXTO-MRXNPFEDSA-N -1 3 322.433 4.389 20 30 DIEDHM Cc1c2cc(F)ccc2sc1C([O-])=C(C#N)c1ccccn1 ZINC000066507118 1040875632 /nfs/dbraw/zinc/87/56/32/1040875632.db2.gz VQIQNGLPVWPJBP-CYBMUJFWSA-N -1 3 310.353 4.234 20 30 DIEDHM CCCOc1ccc(Cl)cc1C([O-])=C(C#N)c1ccccn1 ZINC000175099624 1041031875 /nfs/dbraw/zinc/03/18/75/1041031875.db2.gz QGTTUIKOQCFSJL-AWEZNQCLSA-N -1 3 314.772 4.014 20 30 DIEDHM C#C[C@@H](NCc1cccc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC000811516229 1041535333 /nfs/dbraw/zinc/53/53/33/1041535333.db2.gz HCWQYTHMFHHMGL-OAHLLOKOSA-N -1 3 306.192 4.163 20 30 DIEDHM C[C@]1(C/N=C/c2cc(Cl)ccc2[O-])OCCc2sccc21 ZINC000811625076 1041542793 /nfs/dbraw/zinc/54/27/93/1041542793.db2.gz BWNOSRAREBYXIZ-TWIVVOHQSA-N -1 3 321.829 4.014 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000815318791 1041943592 /nfs/dbraw/zinc/94/35/92/1041943592.db2.gz FHEOHZBPZXWYGQ-UHFFFAOYSA-N -1 3 321.289 4.268 20 30 DIEDHM CCc1ccc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000190267719 1041946683 /nfs/dbraw/zinc/94/66/83/1041946683.db2.gz LHRFGXLKVRUVON-CQSZACIVSA-N -1 3 322.408 4.050 20 30 DIEDHM CC(C)(C)c1ccc([O-])c(NC(=O)/C=C/c2ccccc2C#N)c1 ZINC000218584812 1042126608 /nfs/dbraw/zinc/12/66/08/1042126608.db2.gz WVIDAUQBXXOKGL-DHZHZOJOSA-N -1 3 320.392 4.213 20 30 DIEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1c[nH]c2cc(F)ccc12 ZINC000794934315 1043228441 /nfs/dbraw/zinc/22/84/41/1043228441.db2.gz IUSVDQRKRUXGFP-HYXAFXHYSA-N -1 3 317.266 4.187 20 30 DIEDHM O=C1c2cccc(Cl)c2C/C1=C/c1c(F)ccc([O-])c1F ZINC000794935775 1043242095 /nfs/dbraw/zinc/24/20/95/1043242095.db2.gz UEKDKIOVLVLBNZ-FPLPWBNLSA-N -1 3 306.695 4.146 20 30 DIEDHM O=C1c2ccc(F)cc2CC/C1=C\c1c(F)ccc([O-])c1F ZINC000794941150 1043243525 /nfs/dbraw/zinc/24/35/25/1043243525.db2.gz JIRBLCYIEROYGE-CSKARUKUSA-N -1 3 304.267 4.022 20 30 DIEDHM O=C1c2cccc3c2[C@H](CCC3)/C1=C/c1c(F)ccc([O-])c1F ZINC000794947058 1043247110 /nfs/dbraw/zinc/24/71/10/1043247110.db2.gz UAXAQGUECQBHRG-NASPGAHYSA-N -1 3 312.315 4.370 20 30 DIEDHM C[C@@H]1C/C(=C/c2c(F)ccc([O-])c2F)C(=O)c2ccccc21 ZINC000794946031 1043247459 /nfs/dbraw/zinc/24/74/59/1043247459.db2.gz MNJBZPFOWCLJIE-QLWWJYNRSA-N -1 3 300.304 4.444 20 30 DIEDHM CC[C@@H](NCc1nc(C(C)C)cs1)c1cccc(C#N)c1[O-] ZINC000925283251 1043405725 /nfs/dbraw/zinc/40/57/25/1043405725.db2.gz OQORMXSSRCJIDV-CQSZACIVSA-N -1 3 315.442 4.085 20 30 DIEDHM C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1cccc([O-])c1F ZINC000872083686 1043453990 /nfs/dbraw/zinc/45/39/90/1043453990.db2.gz DSCXTLLVSBGONY-CYBMUJFWSA-N -1 3 310.372 4.133 20 30 DIEDHM C[C@@H](Nc1cccc(OCCCC#N)c1)c1cc([O-])cc(F)c1 ZINC000925754268 1043465118 /nfs/dbraw/zinc/46/51/18/1043465118.db2.gz HYTOTIGTRDNFBJ-CYBMUJFWSA-N -1 3 314.360 4.387 20 30 DIEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc([O-])ccc1Cl ZINC000353582242 1043620645 /nfs/dbraw/zinc/62/06/45/1043620645.db2.gz PRCNFPUSDPHUKR-UHFFFAOYSA-N -1 3 319.763 4.013 20 30 DIEDHM CC(C)c1ccc(C([O-])=C(C#N)c2nccc3ccccc32)cn1 ZINC000361521164 1044414860 /nfs/dbraw/zinc/41/48/60/1044414860.db2.gz ZFELSBJTDHIGEP-KRWDZBQOSA-N -1 3 315.376 4.243 20 30 DIEDHM N#CC(=C([O-])c1cncc2ccccc21)c1nccc2ccccc21 ZINC000361541673 1044417548 /nfs/dbraw/zinc/41/75/48/1044417548.db2.gz RSVMDVJZTJLWTJ-GOSISDBHSA-N -1 3 323.355 4.273 20 30 DIEDHM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccc1F ZINC000362132310 1044481534 /nfs/dbraw/zinc/48/15/34/1044481534.db2.gz AFPBVLKTFOLNEI-LBPRGKRZSA-N -1 3 322.261 4.038 20 30 DIEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1F ZINC000362193449 1044488126 /nfs/dbraw/zinc/48/81/26/1044488126.db2.gz VRIAFBZLVXMPJM-LBPRGKRZSA-N -1 3 322.261 4.038 20 30 DIEDHM CCc1sc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cc1C ZINC000568406142 1044624378 /nfs/dbraw/zinc/62/43/78/1044624378.db2.gz OFJKTZOHZPNKGV-LBPRGKRZSA-N -1 3 323.421 4.294 20 30 DIEDHM C=C(C)CN(CC)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000568521791 1044631382 /nfs/dbraw/zinc/63/13/82/1044631382.db2.gz MNKGAGLNQCRQBV-ZDUSSCGKSA-N -1 3 302.201 4.017 20 30 DIEDHM CC(C)(C)c1csc([N-]C(=O)c2ccc(Cl)o2)c1C#N ZINC000410926101 1044947390 /nfs/dbraw/zinc/94/73/90/1044947390.db2.gz HUSGPZWZNCHOJC-UHFFFAOYSA-N -1 3 308.790 4.416 20 30 DIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cocc2C)cc1 ZINC000528921601 1045429185 /nfs/dbraw/zinc/42/91/85/1045429185.db2.gz YOKDRSLRYMJELU-WBMJQRKESA-N -1 3 324.380 4.063 20 30 DIEDHM O=C(C[C@H]1C=CCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001119551079 1045517518 /nfs/dbraw/zinc/51/75/18/1045517518.db2.gz RWUKLWIGWHJSTR-JTQLQIEISA-N -1 3 300.185 4.068 20 30 DIEDHM Cc1cccc(CCC(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000900091905 1045602979 /nfs/dbraw/zinc/60/29/79/1045602979.db2.gz RXCFGIFENNYPBS-UHFFFAOYSA-N -1 3 319.404 4.499 20 30 DIEDHM C[C@@H](C(=O)N([O-])Cc1cccc2ccccc21)c1ccsc1 ZINC000900092133 1045603147 /nfs/dbraw/zinc/60/31/47/1045603147.db2.gz YWRYQIQBTGEHPZ-CYBMUJFWSA-N -1 3 311.406 4.423 20 30 DIEDHM N#CC(=C([O-])c1ccc2ccccc2c1)c1cnc2ccccc2n1 ZINC000190909743 1045630041 /nfs/dbraw/zinc/63/00/41/1045630041.db2.gz LUZIZPLGELRFPO-KRWDZBQOSA-N -1 3 323.355 4.273 20 30 DIEDHM CC(C)(C/N=C\c1cc(Br)ccc1[O-])C(F)(F)F ZINC000800790811 1045648411 /nfs/dbraw/zinc/64/84/11/1045648411.db2.gz WAGKXWXUVINSLS-FMQZQXMHSA-N -1 3 324.140 4.162 20 30 DIEDHM C/C(=C/c1ccco1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370132 1045709058 /nfs/dbraw/zinc/70/90/58/1045709058.db2.gz SMJDUNQVJCLLKI-OWBHPGMISA-N -1 3 307.349 4.254 20 30 DIEDHM C/C(=C\c1ccco1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370133 1045709600 /nfs/dbraw/zinc/70/96/00/1045709600.db2.gz SMJDUNQVJCLLKI-WYMLVPIESA-N -1 3 307.349 4.254 20 30 DIEDHM COCc1ccccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370009 1045710638 /nfs/dbraw/zinc/71/06/38/1045710638.db2.gz OKUHAFBKEVGENO-UHFFFAOYSA-N -1 3 321.376 4.018 20 30 DIEDHM C[C@@H](C(=O)N([O-])Cc1cccc2ccccc21)c1ccccc1 ZINC000901369933 1045710747 /nfs/dbraw/zinc/71/07/47/1045710747.db2.gz LAOKKSNLDWPDFI-OAHLLOKOSA-N -1 3 305.377 4.361 20 30 DIEDHM COCc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC000901371956 1045711910 /nfs/dbraw/zinc/71/19/10/1045711910.db2.gz YSMRAVGWZMYRKR-UHFFFAOYSA-N -1 3 321.376 4.018 20 30 DIEDHM CC[C@@H](Cc1cccc(C)c1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372312 1045712565 /nfs/dbraw/zinc/71/25/65/1045712565.db2.gz BYLUKQTXWAYMJX-KRWDZBQOSA-N -1 3 315.388 4.121 20 30 DIEDHM O=C(C1CCC(F)(F)CC1)N([O-])Cc1cccc2ccccc21 ZINC000901371425 1045712568 /nfs/dbraw/zinc/71/25/68/1045712568.db2.gz UIGMOZQDMKEKHP-UHFFFAOYSA-N -1 3 319.351 4.383 20 30 DIEDHM CC[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccc(C)cc1 ZINC000901372430 1045712711 /nfs/dbraw/zinc/71/27/11/1045712711.db2.gz YZAYWAGKUDJIPC-INIZCTEOSA-N -1 3 315.388 4.436 20 30 DIEDHM Cc1ccc2c(c1)scc2C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371903 1045712934 /nfs/dbraw/zinc/71/29/34/1045712934.db2.gz KKFUVHQGNGRVQI-UHFFFAOYSA-N -1 3 315.369 4.380 20 30 DIEDHM Cc1ccccc1CCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370728 1045713067 /nfs/dbraw/zinc/71/30/67/1045713067.db2.gz MSHBSOUZKJAROY-UHFFFAOYSA-N -1 3 319.404 4.499 20 30 DIEDHM CC(C)[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901374273 1045714670 /nfs/dbraw/zinc/71/46/70/1045714670.db2.gz HVTFHKLCUAFCMU-GOSISDBHSA-N -1 3 315.388 4.373 20 30 DIEDHM C=CCC(CC=C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378003 1045715377 /nfs/dbraw/zinc/71/53/77/1045715377.db2.gz GJKOMYMPTRWJCV-UHFFFAOYSA-N -1 3 314.212 4.480 20 30 DIEDHM CCOc1ccc(C=Nc2cc(C#N)ccc2Cl)c([O-])c1 ZINC000755032550 1045947507 /nfs/dbraw/zinc/94/75/07/1045947507.db2.gz WQYUXIHONYHPBH-UHFFFAOYSA-N -1 3 300.745 4.067 20 30 DIEDHM COc1cc(C(=O)/C=C/c2ccc(F)c(Cl)c2)ccc1[O-] ZINC000755579192 1045996881 /nfs/dbraw/zinc/99/68/81/1045996881.db2.gz PCNOGTUDLMZDCS-ZZXKWVIFSA-N -1 3 306.720 4.089 20 30 DIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)o2)cc1 ZINC000193491829 1046021011 /nfs/dbraw/zinc/02/10/11/1046021011.db2.gz IMFRCAAYRPDYEK-MLGOLLRUSA-N -1 3 324.380 4.063 20 30 DIEDHM C=CCOc1ccccc1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756569333 1046100500 /nfs/dbraw/zinc/10/05/00/1046100500.db2.gz MQZSJLDCHRZVRQ-GFCCVEGCSA-N -1 3 319.351 4.086 20 30 DIEDHM Cc1cc(C)cc(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)c1 ZINC001202838173 1046219199 /nfs/dbraw/zinc/21/91/99/1046219199.db2.gz DPZJKDMGZGERPL-UHFFFAOYSA-N -1 3 312.373 4.105 20 30 DIEDHM CC(C)c1ncc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)s1 ZINC000758431373 1046268532 /nfs/dbraw/zinc/26/85/32/1046268532.db2.gz XIGJWWSVRMLOFH-VKRGWIQLSA-N -1 3 317.385 4.495 20 30 DIEDHM CCc1ccc(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)cc1 ZINC001202934886 1046450891 /nfs/dbraw/zinc/45/08/91/1046450891.db2.gz RNRQXJUGVCLHQM-UHFFFAOYSA-N -1 3 312.373 4.050 20 30 DIEDHM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)c1ccccn1 ZINC000041493311 1046450979 /nfs/dbraw/zinc/45/09/79/1046450979.db2.gz LDVNFUDZVWCFTR-CYBMUJFWSA-N -1 3 310.740 4.280 20 30 DIEDHM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)c1ccccn1 ZINC000041493310 1046451177 /nfs/dbraw/zinc/45/11/77/1046451177.db2.gz LDVNFUDZVWCFTR-ZDUSSCGKSA-N -1 3 310.740 4.280 20 30 DIEDHM N#CCCN(Cc1cc(F)c([O-])c(F)c1)C1CCCCCCC1 ZINC001140990342 1046970678 /nfs/dbraw/zinc/97/06/78/1046970678.db2.gz UQQMQGFXXDYUHU-UHFFFAOYSA-N -1 3 322.399 4.499 20 30 DIEDHM CC(C)n1ncc2c1[C@H](/N=C\c1cc(Cl)ccc1[O-])CCC2 ZINC001116600278 1047160610 /nfs/dbraw/zinc/16/06/10/1047160610.db2.gz CAHFPAZIVHAEAX-HBFFOVPNSA-N -1 3 317.820 4.320 20 30 DIEDHM N#CCCN(Cc1c(Cl)cc([O-])cc1Cl)C1CCCC1 ZINC001142111596 1047383564 /nfs/dbraw/zinc/38/35/64/1047383564.db2.gz RNXKJCXLODWYGU-UHFFFAOYSA-N -1 3 313.228 4.357 20 30 DIEDHM COc1cc(/C=C2/CCc3sccc3C2=O)cc(Cl)c1[O-] ZINC000726890145 1047386909 /nfs/dbraw/zinc/38/69/09/1047386909.db2.gz DNBTYAFBAKFRFF-POHAHGRESA-N -1 3 320.797 4.328 20 30 DIEDHM CCSc1ccc(Cl)cc1C([O-])=C(C#N)c1ccccn1 ZINC000083938239 1047618645 /nfs/dbraw/zinc/61/86/45/1047618645.db2.gz XJTMWRWVNMCPKE-CYBMUJFWSA-N -1 3 316.813 4.337 20 30 DIEDHM CCCCCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC001153467028 1047625247 /nfs/dbraw/zinc/62/52/47/1047625247.db2.gz BZZSBSKSWCFWAF-UHFFFAOYSA-N -1 3 314.223 4.454 20 30 DIEDHM N#CC(=C([O-])c1ccc2c(c1)CCC2)c1nc2ccccc2s1 ZINC000041503529 1047749314 /nfs/dbraw/zinc/74/93/14/1047749314.db2.gz HJUNWYRGLIKXLU-HNNXBMFYSA-N -1 3 318.401 4.275 20 30 DIEDHM CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(C#N)c2)CC1 ZINC001184219586 1048010575 /nfs/dbraw/zinc/01/05/75/1048010575.db2.gz ZMDHOXHOEJMIQM-MQMHXKEQSA-N -1 3 300.402 4.055 20 30 DIEDHM CCCCCCN([O-])C(=O)c1csc(-c2ccccc2F)n1 ZINC001184305953 1048021893 /nfs/dbraw/zinc/02/18/93/1048021893.db2.gz YAENTJZZSRTARR-UHFFFAOYSA-N -1 3 322.405 4.361 20 30 DIEDHM N#Cc1ccc(NC(=O)Nc2cc3ccccc3cc2[O-])cc1 ZINC001184753762 1048085741 /nfs/dbraw/zinc/08/57/41/1048085741.db2.gz JUJJUXVMYQVSFC-UHFFFAOYSA-N -1 3 303.321 4.061 20 30 DIEDHM CCOc1ccc(Nc2cc(C#N)ccc2[O-])cc1C(F)(F)F ZINC001175035109 1048099364 /nfs/dbraw/zinc/09/93/64/1048099364.db2.gz XUVVHEYQFBMRTA-UHFFFAOYSA-N -1 3 322.286 4.425 20 30 DIEDHM O=C([C@@H]1Cc2ccc(Cl)cc21)N([O-])Cc1ccccc1Cl ZINC001161807879 1048174904 /nfs/dbraw/zinc/17/49/04/1048174904.db2.gz PZXPXDOXZCFNLX-CQSZACIVSA-N -1 3 322.191 4.051 20 30 DIEDHM O=C([C@@H]1C[C@H]1c1ccccc1)N([O-])CCCCc1ccccc1 ZINC001161819420 1048178488 /nfs/dbraw/zinc/17/84/88/1048178488.db2.gz SOIHITZCHVVLCW-RBUKOAKNSA-N -1 3 309.409 4.031 20 30 DIEDHM CCCc1sc(C(=O)N([O-])Cc2ccc(F)cc2)cc1CC ZINC001161842762 1048182933 /nfs/dbraw/zinc/18/29/33/1048182933.db2.gz NVAMUEQCGLKUJA-UHFFFAOYSA-N -1 3 321.417 4.434 20 30 DIEDHM CC(C)Oc1cc(Nc2cc(C#N)ccc2[O-])ccc1Cl ZINC001201383595 1048256171 /nfs/dbraw/zinc/25/61/71/1048256171.db2.gz RPTVTPWOPYCBLW-UHFFFAOYSA-N -1 3 302.761 4.448 20 30 DIEDHM COc1ccc(C#N)cc1Nc1ccc(C(F)(F)F)cc1[O-] ZINC001201588736 1048326033 /nfs/dbraw/zinc/32/60/33/1048326033.db2.gz XKMIWJKXPZASPX-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM CCc1c(C)nc2sc(C#N)c(Nc3cncc([O-])c3)c2c1C ZINC001201636290 1048330159 /nfs/dbraw/zinc/33/01/59/1048330159.db2.gz ULWVPUQHPOQNOB-UHFFFAOYSA-N -1 3 324.409 4.191 20 30 DIEDHM COc1cc(F)c(C(C)C)cc1Nc1cc(C#N)ccc1[O-] ZINC001175830792 1048458350 /nfs/dbraw/zinc/45/83/50/1048458350.db2.gz SMCQGBUQNGARID-UHFFFAOYSA-N -1 3 300.333 4.279 20 30 DIEDHM CCCCCCCCS(=O)(=O)[N-]c1cc(C)cc(C)c1O ZINC001188013225 1048467363 /nfs/dbraw/zinc/46/73/63/1048467363.db2.gz QVZYQAIXDQLOFV-UHFFFAOYSA-N -1 3 313.463 4.111 20 30 DIEDHM CC(C)Oc1ccc(Nc2cc(C#N)ccc2[O-])cc1Cl ZINC001175872840 1048487314 /nfs/dbraw/zinc/48/73/14/1048487314.db2.gz NPUXEDMNXSCQCY-UHFFFAOYSA-N -1 3 302.761 4.448 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCCOc2ccccc21 ZINC000749748602 1048674041 /nfs/dbraw/zinc/67/40/41/1048674041.db2.gz HXQRBPNFKZGWRU-SKCQWOFPSA-N -1 3 301.773 4.378 20 30 DIEDHM CCCCCCCCNC(=O)Nc1c([O-])cccc1C(C)=O ZINC001191072503 1048840032 /nfs/dbraw/zinc/84/00/32/1048840032.db2.gz KLCUSQIHTIUTEK-UHFFFAOYSA-N -1 3 306.406 4.077 20 30 DIEDHM CC(C)(C)c1ccc(NC(=O)Nc2ccc([O-])cc2C#N)cc1 ZINC001191151141 1048866154 /nfs/dbraw/zinc/86/61/54/1048866154.db2.gz GKFRMTUWYKEKRC-UHFFFAOYSA-N -1 3 309.369 4.205 20 30 DIEDHM C[C@H](C#N)N(Cc1cc2oc3ccccc3c2cc1[O-])C1CC1 ZINC000853548987 1048907753 /nfs/dbraw/zinc/90/77/53/1048907753.db2.gz WNFXGQYCKHVTJJ-GFCCVEGCSA-N -1 3 306.365 4.168 20 30 DIEDHM CC(C)(CC(=O)N([O-])Cc1ccccc1Cl)CC(F)F ZINC000904192626 1048999121 /nfs/dbraw/zinc/99/91/21/1048999121.db2.gz SUJGVONZWMWSSW-UHFFFAOYSA-N -1 3 305.752 4.129 20 30 DIEDHM N#Cc1cnc(-c2ccc([O-])cc2C(F)(F)F)c2ccccc12 ZINC001205066438 1049359911 /nfs/dbraw/zinc/35/99/11/1049359911.db2.gz NNSQMWOJFWIGGU-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(C2CCCCC2)c(C)s1 ZINC001205424738 1049467491 /nfs/dbraw/zinc/46/74/91/1049467491.db2.gz SGNRGLUACYVIFG-SNVBAGLBSA-N -1 3 309.435 4.127 20 30 DIEDHM CC(CC(F)(F)F)N=Nc1nc2ccccc2[n-]c1=S ZINC000863125154 1049535410 /nfs/dbraw/zinc/53/54/10/1049535410.db2.gz ODRCGXYLMCPPNT-UHFFFAOYSA-N -1 3 300.309 4.033 20 30 DIEDHM [O-]c1ccc(F)c(C=NNc2ccc(C(F)(F)F)cc2)c1F ZINC000794524022 1049561606 /nfs/dbraw/zinc/56/16/06/1049561606.db2.gz SVRWGMGZRBMMEB-UHFFFAOYSA-N -1 3 316.229 4.135 20 30 DIEDHM N#Cc1cc(NC(=O)c2sccc2-c2ccccc2)ccc1[O-] ZINC001195718673 1049562624 /nfs/dbraw/zinc/56/26/24/1049562624.db2.gz INGNKXBKGYFXHY-UHFFFAOYSA-N -1 3 320.373 4.245 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(Cl)c2)ccc1[O-] ZINC000774136623 1049602377 /nfs/dbraw/zinc/60/23/77/1049602377.db2.gz CGROKBYHPUKLHP-UTCJRWHESA-N -1 3 317.728 4.158 20 30 DIEDHM COc1cc(C(=O)/C=C\c2ccc3occc3c2)c(OC)cc1[O-] ZINC000794702091 1049672058 /nfs/dbraw/zinc/67/20/58/1049672058.db2.gz MUCBINKCYHBZKZ-HYXAFXHYSA-N -1 3 324.332 4.052 20 30 DIEDHM Cc1cc([O-])cc(-c2nc3c(c(C#N)c2C#N)CCCCCC3)c1 ZINC001206218763 1049683608 /nfs/dbraw/zinc/68/36/08/1049683608.db2.gz 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CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)o2)cc1 ZINC000193491813 1052399816 /nfs/dbraw/zinc/39/98/16/1052399816.db2.gz IMFRCAAYRPDYEK-LRDDRELGSA-N -1 3 324.380 4.063 20 30 DIEDHM CC(=NNc1ccc(C#N)cc1)c1ccc2ccccc2c1[O-] ZINC000915961244 1052575005 /nfs/dbraw/zinc/57/50/05/1052575005.db2.gz CAJMTBNDFKMZFG-UHFFFAOYSA-N -1 3 301.349 4.253 20 30 DIEDHM CCc1cccc2c(/C=C\C(=O)c3ccc([O-])c(OC)c3)c[nH]c21 ZINC000916158090 1052593048 /nfs/dbraw/zinc/59/30/48/1052593048.db2.gz VJYXTBVWWRSAKP-HJWRWDBZSA-N -1 3 321.376 4.341 20 30 DIEDHM C=CC[C@@H](O/C(=N\[O-])c1ccccc1Br)C(C)C ZINC001223885788 1052647899 /nfs/dbraw/zinc/64/78/99/1052647899.db2.gz LJKSDXQNZRPUMM-XUVDNFPMSA-N -1 3 312.207 4.202 20 30 DIEDHM C=CC[C@H](O/C(=N\[O-])c1ccccc1Br)C(C)C ZINC001223885789 1052648155 /nfs/dbraw/zinc/64/81/55/1052648155.db2.gz LJKSDXQNZRPUMM-YXNALHSASA-N -1 3 312.207 4.202 20 30 DIEDHM C[C@@H](O/C(=N\[O-])c1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC001223977114 1052656993 /nfs/dbraw/zinc/65/69/93/1052656993.db2.gz 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CC(=O)c1cc(C(C)C)c([O-])cc1OC1CCC(C#N)CC1 ZINC001228959389 1053213388 /nfs/dbraw/zinc/21/33/88/1053213388.db2.gz YPMKJGMTZLCDIC-UHFFFAOYSA-N -1 3 301.386 4.179 20 30 DIEDHM C#C[C@H]1CCC[C@H]1Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229536315 1053348612 /nfs/dbraw/zinc/34/86/12/1053348612.db2.gz BUSMYXCJUNZANC-HNAYVOBHSA-N -1 3 320.388 4.112 20 30 DIEDHM Cc1ccc([O-])c2c1[C@H](C)/C(=C/c1csc([N+](=O)[O-])c1)C2=O ZINC001321764091 1053433001 /nfs/dbraw/zinc/43/30/01/1053433001.db2.gz DTFZGIOMKVYKRT-QQCYMQAYSA-N -1 3 315.350 4.054 20 30 DIEDHM N#Cc1ccc([O-])c(CN2CCCC[C@@H]2c2ccccc2F)c1 ZINC001232680213 1054097618 /nfs/dbraw/zinc/09/76/18/1054097618.db2.gz ZCICUDDUPQOGLX-GOSISDBHSA-N -1 3 310.372 4.130 20 30 DIEDHM N#Cc1ccc([O-])c(CN2CCC[C@H]2c2ccc(Cl)s2)c1 ZINC001232678469 1054098937 /nfs/dbraw/zinc/09/89/37/1054098937.db2.gz AJNZBIURLCMUJR-ZDUSSCGKSA-N -1 3 318.829 4.316 20 30 DIEDHM C=CCCN(Cc1ccccc1)Cc1cc(Cl)ncc1[O-] ZINC001233035516 1054175542 /nfs/dbraw/zinc/17/55/42/1054175542.db2.gz 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1054439960 /nfs/dbraw/zinc/43/99/60/1054439960.db2.gz WWORSCRKGOENIN-HNNXBMFYSA-N -1 3 307.271 4.255 20 30 DIEDHM CC[C@@H](C#Cc1ccccc1)Oc1c(Cl)ccc([O-])c1F ZINC001234263277 1054477940 /nfs/dbraw/zinc/47/79/40/1054477940.db2.gz WCWLAVPVSPMJRT-ZDUSSCGKSA-N -1 3 304.748 4.394 20 30 DIEDHM C=C[C@@]1(C)CC[C@@H](Oc2c(Cl)ccc([O-])c2F)C(C)(C)O1 ZINC001234262906 1054478306 /nfs/dbraw/zinc/47/83/06/1054478306.db2.gz KYFTZALOGBXROG-WBMJQRKESA-N -1 3 314.784 4.466 20 30 DIEDHM [O-]c1cc(Cl)cc(F)c1OC(C(F)(F)F)C(F)(F)F ZINC001234447653 1054523438 /nfs/dbraw/zinc/52/34/38/1054523438.db2.gz MCZPDZDCBLSYTH-UHFFFAOYSA-N -1 3 312.568 4.057 20 30 DIEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2c([O-])cc(Cl)cc2F)O1 ZINC001234448047 1054523846 /nfs/dbraw/zinc/52/38/46/1054523846.db2.gz NNLYZBHTPJOCGG-CJNGLKHVSA-N -1 3 314.784 4.466 20 30 DIEDHM CC(C)N(C(=O)c1ccc(-c2ccccc2C=N[O-])cc1)C(C)C ZINC001235932580 1054856943 /nfs/dbraw/zinc/85/69/43/1054856943.db2.gz NTXHWMFBAZUTQW-UHFFFAOYSA-N -1 3 324.424 4.421 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2sccc2Br)ccc1[O-] ZINC000764917649 1055292738 /nfs/dbraw/zinc/29/27/38/1055292738.db2.gz YOBCILLSDHBQRP-PLNGDYQASA-N -1 3 323.211 4.421 20 30 DIEDHM C=CCN(Cc1ccccc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807259 1055533394 /nfs/dbraw/zinc/53/33/94/1055533394.db2.gz ZTHRCEKEFFIGAH-UHFFFAOYSA-N -1 3 305.780 4.373 20 30 DIEDHM C=CCOc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471850448 1055575790 /nfs/dbraw/zinc/57/57/90/1055575790.db2.gz ZAPHDMGCSGPJMY-UHFFFAOYSA-N -1 3 319.360 4.363 20 30 DIEDHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001649045922 1055746693 /nfs/dbraw/zinc/74/66/93/1055746693.db2.gz FSSUICKULKFUFH-ZLIFDBKOSA-N -1 3 315.800 4.108 20 30 DIEDHM CC(C)c1scnc1C(=O)N([O-])CCCCc1ccccc1 ZINC001649052478 1055771801 /nfs/dbraw/zinc/77/18/01/1055771801.db2.gz YNUAUJKOTGDRFI-UHFFFAOYSA-N -1 3 318.442 4.121 20 30 DIEDHM CCCCCCN([O-])C(=O)c1ccc(Oc2ccccc2)cn1 ZINC001649057417 1055792577 /nfs/dbraw/zinc/79/25/77/1055792577.db2.gz XZYGGHXZEYXCIY-UHFFFAOYSA-N -1 3 314.385 4.286 20 30 DIEDHM CCCCN([O-])C(=O)c1sc(-c2ccc(F)c(C)c2)nc1C ZINC001649061285 1055822187 /nfs/dbraw/zinc/82/21/87/1055822187.db2.gz KAOZYZGLFZEIMW-UHFFFAOYSA-N -1 3 322.405 4.198 20 30 DIEDHM CCCCN([O-])C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001611658110 1056178914 /nfs/dbraw/zinc/17/89/14/1056178914.db2.gz VGZGOEKSSDLVOP-KRWDZBQOSA-N -1 3 317.816 4.490 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1cccc(Cl)c1Cl ZINC001611655403 1056179330 /nfs/dbraw/zinc/17/93/30/1056179330.db2.gz BOFOGLSMUIPIDT-UHFFFAOYSA-N -1 3 304.217 4.334 20 30 DIEDHM N#Cc1ccc(Nc2cc(F)cc(F)c2[O-])cc1C(F)(F)F ZINC001212486350 1056815681 /nfs/dbraw/zinc/81/56/81/1056815681.db2.gz ZYWLRGZGLVZUAI-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM Cc1ccc([C@@H](C#N)c2ccc(-c3ccc(C)cc3[O-])nn2)cc1 ZINC001241028439 1056828389 /nfs/dbraw/zinc/82/83/89/1056828389.db2.gz NSCOVDDFYJCKIQ-QGZVFWFLSA-N -1 3 315.376 4.122 20 30 DIEDHM CCCCN([O-])C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC001161833115 1057033355 /nfs/dbraw/zinc/03/33/55/1057033355.db2.gz ZZBBWDGXXDPBCF-UHFFFAOYSA-N -1 3 310.806 4.095 20 30 DIEDHM CN(C)c1ccc(-c2ccc([O-])c(C#N)c2)cc1C(F)(F)F ZINC001242565164 1057406872 /nfs/dbraw/zinc/40/68/72/1057406872.db2.gz OQFRTWSLOLOMOV-UHFFFAOYSA-N -1 3 306.287 4.016 20 30 DIEDHM N#Cc1ccc2ccnc(-c3cc([O-])cc(C(F)(F)F)c3)c2c1 ZINC001242780419 1057473318 /nfs/dbraw/zinc/47/33/18/1057473318.db2.gz QYEWPANESGQUNQ-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM CC(=NNc1ccccc1Br)c1ccc([O-])cc1F ZINC000729932079 1057696513 /nfs/dbraw/zinc/69/65/13/1057696513.db2.gz BWPKQHUFGCTIBF-UHFFFAOYSA-N -1 3 323.165 4.130 20 30 DIEDHM CC(=NNc1ccccc1C(F)(F)F)c1ccc([O-])cc1F ZINC000729931905 1057696567 /nfs/dbraw/zinc/69/65/67/1057696567.db2.gz YYYAENWBRSZFAU-UHFFFAOYSA-N -1 3 312.266 4.386 20 30 DIEDHM CCOc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1F ZINC000729936745 1057697332 /nfs/dbraw/zinc/69/73/32/1057697332.db2.gz WYXIDQTVQXAADL-VXLYETTFSA-N -1 3 307.752 4.203 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(F)c(F)c1 ZINC000730590307 1057717909 /nfs/dbraw/zinc/71/79/09/1057717909.db2.gz MDAPSYZXMOPVFQ-KZSPTFSBSA-N -1 3 304.267 4.193 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CCOc2ccccc21 ZINC000731155974 1057735783 /nfs/dbraw/zinc/73/57/83/1057735783.db2.gz XQMBHGFAUFLDBH-MKFNJMOCSA-N -1 3 301.773 4.031 20 30 DIEDHM COc1cccc(C[C@@H](C)/N=C\c2cc(Cl)ccc2[O-])c1 ZINC000732926288 1057791522 /nfs/dbraw/zinc/79/15/22/1057791522.db2.gz KUUWNCIADFTKTD-ZDFPAGSVSA-N -1 3 303.789 4.104 20 30 DIEDHM Cc1nc2ccc(-c3cc(/C=N/[O-])cc(C(F)(F)F)c3)cc2[nH]1 ZINC001243965985 1057822443 /nfs/dbraw/zinc/82/24/43/1057822443.db2.gz AJYVIOACQKHBMU-DNTJNYDQSA-N -1 3 319.286 4.365 20 30 DIEDHM CCCN(CCC)C(=O)c1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001244214161 1057902383 /nfs/dbraw/zinc/90/23/83/1057902383.db2.gz CFHLTTCNFZAUIT-RCCKNPSSSA-N -1 3 324.424 4.424 20 30 DIEDHM Cc1cc(-c2cc(OC(F)(F)F)ccc2[O-])cc(C)c1C#N ZINC001244460233 1057964499 /nfs/dbraw/zinc/96/44/99/1057964499.db2.gz FLQUICQPOPJARJ-UHFFFAOYSA-N -1 3 307.271 4.446 20 30 DIEDHM N#Cc1cc2c(cccc2-c2cc(OC(F)(F)F)ccc2[O-])[nH]1 ZINC001244462682 1057965334 /nfs/dbraw/zinc/96/53/34/1057965334.db2.gz XMLVTKNMCHNWPF-UHFFFAOYSA-N -1 3 318.254 4.311 20 30 DIEDHM COc1c(Br)cccc1-c1ccc(/C(C)=N/[O-])cc1 ZINC001245685301 1058347572 /nfs/dbraw/zinc/34/75/72/1058347572.db2.gz PDEHSLQAROHNFJ-LICLKQGHSA-N -1 3 320.186 4.323 20 30 DIEDHM Cc1cnc(-c2cnc(Cl)c(Cl)c2Cl)c(/C=N/[O-])c1 ZINC001245804492 1058488631 /nfs/dbraw/zinc/48/86/31/1058488631.db2.gz HCYHIMRBWMSSND-JJPRUIFNSA-N -1 3 316.575 4.220 20 30 DIEDHM CCCCN([O-])C(=O)c1c(CC)onc1-c1ccccc1Cl ZINC001559035094 1058942119 /nfs/dbraw/zinc/94/21/19/1058942119.db2.gz BQIFBHNBNBQATM-UHFFFAOYSA-N -1 3 322.792 4.189 20 30 DIEDHM N#Cc1cc(Nc2c([O-])cccc2F)ccc1N1CCCCC1 ZINC001249996987 1060529840 /nfs/dbraw/zinc/52/98/40/1060529840.db2.gz RHWIRMHIRZYUAW-UHFFFAOYSA-N -1 3 311.360 4.137 20 30 DIEDHM CCOc1cc([N-]c2onc(C(C)(C)C)c2C#N)c(Cl)cn1 ZINC001250211828 1060691220 /nfs/dbraw/zinc/69/12/20/1060691220.db2.gz HNWVAKNPECXTRL-UHFFFAOYSA-N -1 3 320.780 4.034 20 30 DIEDHM C=CCc1cccc(-c2nc3c(ccc4ncccc34)[nH]2)c1[O-] ZINC001250713228 1061034752 /nfs/dbraw/zinc/03/47/52/1061034752.db2.gz ZRHKKFHPGMNIPN-UHFFFAOYSA-N -1 3 301.349 4.212 20 30 DIEDHM C[C@H]1CC/C(=C/C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001457992315 1061534454 /nfs/dbraw/zinc/53/44/54/1061534454.db2.gz DNEAWWMWCNUOBU-QBQSQJOESA-N -1 3 314.212 4.458 20 30 DIEDHM C[C@@H]1CCCC[C@H]1CC(=O)N([O-])CCCCc1ccccc1 ZINC001457995813 1061535079 /nfs/dbraw/zinc/53/50/79/1061535079.db2.gz WLFWJQYZAGNDEU-AEFFLSMTSA-N -1 3 303.446 4.444 20 30 DIEDHM CC(C)[C@H]1C[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457998525 1061536354 /nfs/dbraw/zinc/53/63/54/1061536354.db2.gz WDTWHXYFSGKNOU-CHWSQXEVSA-N -1 3 302.201 4.003 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC001458009766 1061538415 /nfs/dbraw/zinc/53/84/15/1061538415.db2.gz FNFQSHWJMYCSCA-HNNXBMFYSA-N -1 3 305.418 4.129 20 30 DIEDHM O=C(c1cc2c([nH]1)CCCC2)N([O-])Cc1cccc2ccccc21 ZINC001458014800 1061541292 /nfs/dbraw/zinc/54/12/92/1061541292.db2.gz AFOBJWPRRDIXFJ-UHFFFAOYSA-N -1 3 320.392 4.078 20 30 DIEDHM C=CCN(CC1CCCCC1)C(=O)c1cc([O-])ccc1Cl ZINC001465093461 1061677832 /nfs/dbraw/zinc/67/78/32/1061677832.db2.gz UISGNZMNGSENGJ-UHFFFAOYSA-N -1 3 307.821 4.254 20 30 DIEDHM CCCCCCC[C@H](C)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC001468157691 1062270539 /nfs/dbraw/zinc/27/05/39/1062270539.db2.gz WYCIIMPQMDMPNJ-AWEZNQCLSA-N -1 3 324.440 4.327 20 30 DIEDHM CCCCN([O-])C(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC001472620421 1063108321 /nfs/dbraw/zinc/10/83/21/1063108321.db2.gz BACRBPYWBXWYAR-ZDUSSCGKSA-N -1 3 317.351 4.292 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC001472621449 1063108563 /nfs/dbraw/zinc/10/85/63/1063108563.db2.gz VJEJNDKEEBLEJS-HKUYNNGSSA-N -1 3 301.430 4.079 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC001472621221 1063108590 /nfs/dbraw/zinc/10/85/90/1063108590.db2.gz LQGMCWHYCWTDLG-INIZCTEOSA-N -1 3 307.434 4.341 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001472621241 1063109397 /nfs/dbraw/zinc/10/93/97/1063109397.db2.gz MKDIBEJVXVPRGT-QZTJIDSGSA-N -1 3 303.446 4.444 20 30 DIEDHM CC(C)(C)c1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001472622687 1063111805 /nfs/dbraw/zinc/11/18/05/1063111805.db2.gz NJGIIZYMJMSQCA-UHFFFAOYSA-N -1 3 315.388 4.084 20 30 DIEDHM C=CCC[C@H](NC(=O)c1cccc(CC)c1[O-])c1ccccc1 ZINC001295327198 1064907909 /nfs/dbraw/zinc/90/79/09/1064907909.db2.gz AYFGQESPFBEODN-SFHVURJKSA-N -1 3 309.409 4.392 20 30 DIEDHM C=C[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001306895293 1065199424 /nfs/dbraw/zinc/19/94/24/1065199424.db2.gz XNSGETWLLAOOKS-AWEZNQCLSA-N -1 3 315.800 4.418 20 30 DIEDHM CC[C@H](C)n1nccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001306900112 1065200853 /nfs/dbraw/zinc/20/08/53/1065200853.db2.gz JLJPWJFTGFLVMD-AWEZNQCLSA-N -1 3 323.396 4.039 20 30 DIEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001309709779 1066463820 /nfs/dbraw/zinc/46/38/20/1066463820.db2.gz OSAZOXFYZSBNIK-UHFFFAOYSA-N -1 3 322.257 4.017 20 30 DIEDHM CC(C)(C)c1cc([N-]C(=O)c2ocnc2C2CC2)c(C#N)s1 ZINC000288766693 131338895 /nfs/dbraw/zinc/33/88/95/131338895.db2.gz OSEJOWAOEMBKBK-UHFFFAOYSA-N -1 3 315.398 4.035 20 30 DIEDHM CCc1nc(C)c(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)o1 ZINC000297635560 132026009 /nfs/dbraw/zinc/02/60/09/132026009.db2.gz FPYBVBWMTXSREP-UHFFFAOYSA-N -1 3 317.414 4.028 20 30 DIEDHM C[C@H]1CCc2sc([N-]C(=O)c3ccsn3)c(C#N)c2[C@H]1C ZINC000297711425 132029800 /nfs/dbraw/zinc/02/98/00/132029800.db2.gz GJNUVXYYVLEOLD-IUCAKERBSA-N -1 3 317.439 4.014 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2csc(C3CC3)n2)c1C#N ZINC000340717530 132172507 /nfs/dbraw/zinc/17/25/07/132172507.db2.gz YGBFBSIVKTWDLJ-UHFFFAOYSA-N -1 3 317.439 4.077 20 30 DIEDHM C=CC[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000427651111 332477382 /nfs/dbraw/zinc/47/73/82/332477382.db2.gz NJVFACVSPWDASL-AWEZNQCLSA-N -1 3 301.773 4.344 20 30 DIEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3ccco3)sc2CC[C@@H]1C ZINC000410981627 333616182 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Cc1sc([N-]C(=O)c2coc(-c3ccccc3)n2)c(C#N)c1C ZINC000348263622 335568923 /nfs/dbraw/zinc/56/89/23/335568923.db2.gz XVIVKPPWGCMVAC-UHFFFAOYSA-N -1 3 323.377 4.144 20 30 DIEDHM N#CC(=C([O-])c1cc[nH]c1C1CCC1)c1nccc2ccccc21 ZINC000584355150 336077531 /nfs/dbraw/zinc/07/75/31/336077531.db2.gz MGGZHECIQRJUTA-KRWDZBQOSA-N -1 3 315.376 4.320 20 30 DIEDHM O=C(NCC1(c2cccs2)CCCCC1)c1csc(=O)[n-]1 ZINC000329916174 336095099 /nfs/dbraw/zinc/09/50/99/336095099.db2.gz QDWDPTASDXBFCA-UHFFFAOYSA-N -1 3 322.455 4.117 20 30 DIEDHM C[C@H](NC(=O)c1csc(=O)[n-]1)C1(c2ccccc2)CCCC1 ZINC000329981542 336102262 /nfs/dbraw/zinc/10/22/62/336102262.db2.gz NMDXVRVMGZKFJI-LBPRGKRZSA-N -1 3 316.426 4.054 20 30 DIEDHM C[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1ccc(C#N)cc1 ZINC000301203235 336294734 /nfs/dbraw/zinc/29/47/34/336294734.db2.gz REEVDENIYAYBIK-LLVKDONJSA-N -1 3 324.771 4.435 20 30 DIEDHM C=CCN(CCc1ccccc1)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000583877411 337369155 /nfs/dbraw/zinc/36/91/55/337369155.db2.gz 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O=C([C@@H]1CC[C@H]2C[C@H]2C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379063 1045717546 /nfs/dbraw/zinc/71/75/46/1045717546.db2.gz PLVWNVSBAHAURJ-TUAOUCFPSA-N -1 3 314.212 4.147 20 30 DIEDHM Cc1ccsc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379853 1045717652 /nfs/dbraw/zinc/71/76/52/1045717652.db2.gz QNTDRXACMUPCJX-UHFFFAOYSA-N -1 3 316.209 4.395 20 30 DIEDHM Cc1nc2c(s1)[C@H](/N=C\c1cc(Cl)ccc1[O-])CCC2 ZINC000779706614 1045985365 /nfs/dbraw/zinc/98/53/65/1045985365.db2.gz INIWVTORSQVDSK-DTOZUZIGSA-N -1 3 306.818 4.307 20 30 DIEDHM CCCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001137937731 1046024735 /nfs/dbraw/zinc/02/47/35/1046024735.db2.gz GTLFMNQIGOHLIK-UHFFFAOYSA-N -1 3 321.417 4.258 20 30 DIEDHM CCOc1cc(C=NOCc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000758142975 1046250826 /nfs/dbraw/zinc/25/08/26/1046250826.db2.gz OAQKQUFHAIIKNI-UHFFFAOYSA-N -1 3 323.751 4.134 20 30 DIEDHM COc1cc(/C=C/C(=O)c2ccc(C)s2)cc(Cl)c1[O-] ZINC000008080413 1046293184 /nfs/dbraw/zinc/29/31/84/1046293184.db2.gz CWHTWALMSKJVIL-SNAWJCMRSA-N -1 3 308.786 4.320 20 30 DIEDHM CC(=[NH+][N-]c1cc(C)cc(C)c1)c1ccc(N2CCCC2)cc1[O-] ZINC000748243487 1046358750 /nfs/dbraw/zinc/35/87/50/1046358750.db2.gz ABSAKHYSCWYRHF-UHFFFAOYSA-N -1 3 323.440 4.445 20 30 DIEDHM COc1cc(C(=O)/C=C/c2cccc(Cl)c2F)ccc1[O-] ZINC000759667282 1046370337 /nfs/dbraw/zinc/37/03/37/1046370337.db2.gz RKZIAYKYNTUZGH-FNORWQNLSA-N -1 3 306.720 4.089 20 30 DIEDHM COc1cc(C(=O)/C=C\c2cnc(C3CCC3)s2)ccc1[O-] ZINC000760262859 1046404642 /nfs/dbraw/zinc/40/46/42/1046404642.db2.gz LQFKNXMAJKYBCO-VURMDHGXSA-N -1 3 315.394 4.021 20 30 DIEDHM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000041493153 1046451306 /nfs/dbraw/zinc/45/13/06/1046451306.db2.gz WNZMSTGLDBUVJU-CQSZACIVSA-N -1 3 319.389 4.004 20 30 DIEDHM COc1ccc(NN=C(C)c2cc(F)ccc2[O-])cc1Cl ZINC000782230173 1046509268 /nfs/dbraw/zinc/50/92/68/1046509268.db2.gz DLTPPMVAZUKWMK-UHFFFAOYSA-N -1 3 308.740 4.029 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2cc(C)c3ncccc3c2)ccc1[O-] ZINC000783707468 1046625371 /nfs/dbraw/zinc/62/53/71/1046625371.db2.gz PYPPZQUKACLFTR-FNORWQNLSA-N -1 3 303.361 4.453 20 30 DIEDHM Cc1scc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1C ZINC000678640662 1046683341 /nfs/dbraw/zinc/68/33/41/1046683341.db2.gz OEAYDZZNKCLHRK-AWEZNQCLSA-N -1 3 306.390 4.403 20 30 DIEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)oc2c1c(C)ccc2C ZINC000066507077 1046783196 /nfs/dbraw/zinc/78/31/96/1046783196.db2.gz VIPDNINHXZLXBG-CQSZACIVSA-N -1 3 304.349 4.243 20 30 DIEDHM CC(C)c1cc(C([O-])=C(C#N)c2ccccn2)c2ccccc2n1 ZINC000161937280 1046917854 /nfs/dbraw/zinc/91/78/54/1046917854.db2.gz FQEJSICAILYLIS-MRXNPFEDSA-N -1 3 315.376 4.243 20 30 DIEDHM Cc1nn(C(C)C)cc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000798369481 1046948864 /nfs/dbraw/zinc/94/88/64/1046948864.db2.gz ICJYDDBGVLFMAL-BNDQCTAISA-N -1 3 314.360 4.001 20 30 DIEDHM C=CCOc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647376906 1046994586 /nfs/dbraw/zinc/99/45/86/1046994586.db2.gz BLCSLFSSRPRUCP-HNNXBMFYSA-N -1 3 324.405 4.075 20 30 DIEDHM CCCCCCCS(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000799640227 1047049429 /nfs/dbraw/zinc/04/94/29/1047049429.db2.gz SHCDWYJVUGYVQA-UHFFFAOYSA-N -1 3 323.380 4.418 20 30 DIEDHM COc1cc(/C=C/C(=O)c2cc(C)c(C)o2)cc(Cl)c1[O-] ZINC000799896834 1047071393 /nfs/dbraw/zinc/07/13/93/1047071393.db2.gz KQBRGEHVARTBMO-SNAWJCMRSA-N -1 3 306.745 4.160 20 30 DIEDHM CCCc1cc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)no1 ZINC000839368710 1047220778 /nfs/dbraw/zinc/22/07/78/1047220778.db2.gz DWFTXYJEZSKPJJ-UHFFFAOYSA-N -1 3 317.414 4.110 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\C1CCC(OC(F)F)CC1 ZINC000840710554 1047316096 /nfs/dbraw/zinc/31/60/96/1047316096.db2.gz QWNNOVYFHNMDOZ-LSCVHKIXSA-N -1 3 303.736 4.015 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/C1=Cc2ccccc2OC1 ZINC000726743300 1047377340 /nfs/dbraw/zinc/37/73/40/1047377340.db2.gz CGZWBACWGRYKSZ-LUHPIMIVSA-N -1 3 322.335 4.234 20 30 DIEDHM O=C(c1cc2c(s1)CCCC2)N([O-])Cc1ccccc1Cl ZINC001184272380 1048015854 /nfs/dbraw/zinc/01/58/54/1048015854.db2.gz IKSCDRFSFHIJEO-UHFFFAOYSA-N -1 3 321.829 4.312 20 30 DIEDHM CCCCCCN([O-])C(=O)c1csc(-c2ccc(C)o2)n1 ZINC001184305812 1048021095 /nfs/dbraw/zinc/02/10/95/1048021095.db2.gz SAEURUJZUYSZGJ-UHFFFAOYSA-N -1 3 308.403 4.123 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](C)Cc1cncc2ccccc21 ZINC001184315309 1048023258 /nfs/dbraw/zinc/02/32/58/1048023258.db2.gz WYYVYDUUSGIUJF-OAHLLOKOSA-N -1 3 314.429 4.212 20 30 DIEDHM O=C(c1cc(Cl)cs1)N([O-])Cc1ccccc1Cl ZINC001184283110 1048025704 /nfs/dbraw/zinc/02/57/04/1048025704.db2.gz DQCYWBKNMBOGRM-UHFFFAOYSA-N -1 3 302.182 4.087 20 30 DIEDHM O=C([C@H](c1ccccc1)C1CC1)N([O-])CCCCc1ccccc1 ZINC001184293360 1048027939 /nfs/dbraw/zinc/02/79/39/1048027939.db2.gz PUNDAJTYCBCUOU-HXUWFJFHSA-N -1 3 323.436 4.421 20 30 DIEDHM Cc1ccc(F)c(C(=O)N([O-])CCCCc2ccccc2)c1F ZINC001184293249 1048028751 /nfs/dbraw/zinc/02/87/51/1048028751.db2.gz LOQYCKBMCLAOSY-UHFFFAOYSA-N -1 3 319.351 4.128 20 30 DIEDHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161785844 1048171778 /nfs/dbraw/zinc/17/17/78/1048171778.db2.gz ZHOSGAZWVHQLAG-CHWSQXEVSA-N -1 3 316.228 4.393 20 30 DIEDHM O=C([C@H]1CCCc2ccccc21)N([O-])CCCCc1ccccc1 ZINC001161807062 1048173319 /nfs/dbraw/zinc/17/33/19/1048173319.db2.gz AXSVVTWWDFTKFS-FQEVSTJZSA-N -1 3 323.436 4.347 20 30 DIEDHM C[C@H](Cc1cccc(F)c1)C(=O)N([O-])Cc1ccccc1Cl ZINC001161807142 1048173682 /nfs/dbraw/zinc/17/36/82/1048173682.db2.gz DEFZBJCFOCATDL-GFCCVEGCSA-N -1 3 321.779 4.076 20 30 DIEDHM CS[C@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001161807823 1048175231 /nfs/dbraw/zinc/17/52/31/1048175231.db2.gz OXVUIFPBQXAHMR-HNNXBMFYSA-N -1 3 321.829 4.162 20 30 DIEDHM Cc1cc([O-])ccc1C(=O)Nc1sc2ccccc2c1C#N ZINC001186172956 1048273046 /nfs/dbraw/zinc/27/30/46/1048273046.db2.gz BVSRCWAIEIDMMU-UHFFFAOYSA-N -1 3 308.362 4.039 20 30 DIEDHM CCCCCCCC[C@H](O)CNc1cc([O-])c(F)cc1F ZINC001252133431 1048594178 /nfs/dbraw/zinc/59/41/78/1048594178.db2.gz ORRUBEFJAYIICI-LBPRGKRZSA-N -1 3 301.377 4.194 20 30 DIEDHM COc1cc(C(=O)/C=C/c2cc(F)cc(Cl)c2)ccc1[O-] ZINC000776722821 1048957353 /nfs/dbraw/zinc/95/73/53/1048957353.db2.gz XELOOLDAMVUMFY-DUXPYHPUSA-N -1 3 306.720 4.089 20 30 DIEDHM [O-]/N=C/c1cccc(-c2ccc3cnn([C@@H]4CCCCO4)c3c2)c1 ZINC001206668249 1049778609 /nfs/dbraw/zinc/77/86/09/1049778609.db2.gz YWDSPTRRPJIWQA-CIPMJJFUSA-N -1 3 321.380 4.211 20 30 DIEDHM N#Cc1c(F)ccc(Nc2ccc([O-])c(C(F)(F)F)c2)c1F ZINC001209986018 1050117499 /nfs/dbraw/zinc/11/74/99/1050117499.db2.gz QQWVIOTTZTVTEQ-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM COc1cc(C#N)cc(Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001209986802 1050117610 /nfs/dbraw/zinc/11/76/10/1050117610.db2.gz CDEQLJZSEPDYAM-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM CNc1ccc(C#N)cc1Nc1ccc([O-])c(C(F)(F)F)c1 ZINC001209988073 1050118092 /nfs/dbraw/zinc/11/80/92/1050118092.db2.gz XFIPITSGYYMJKW-UHFFFAOYSA-N -1 3 307.275 4.068 20 30 DIEDHM Cc1cc(C#N)cc(Nc2c([O-])cccc2Br)c1 ZINC001210389770 1050228340 /nfs/dbraw/zinc/22/83/40/1050228340.db2.gz WLBYMQXQOYYSPO-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)CC(CC)(CC)CC2 ZINC000844712383 1050487476 /nfs/dbraw/zinc/48/74/76/1050487476.db2.gz PUOLWSMEZJUWTI-NSHDSACASA-N -1 3 323.462 4.066 20 30 DIEDHM CC(C)[C@H](/N=C/c1cc(Br)ccc1[O-])C(F)(F)F ZINC000787141930 1050555354 /nfs/dbraw/zinc/55/53/54/1050555354.db2.gz QRJDBVJYYAAZJG-HMVWTOQKSA-N -1 3 324.140 4.161 20 30 DIEDHM COc1cccc(C(F)(F)F)c1Nc1cc(C#N)ccc1[O-] ZINC001213345095 1050634945 /nfs/dbraw/zinc/63/49/45/1050634945.db2.gz OWTWXJLWLGKPSS-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ncc(C(F)(F)F)s2)ccc1[O-] ZINC000788353971 1050670996 /nfs/dbraw/zinc/67/09/96/1050670996.db2.gz CSHCPKHPEVHYII-PLNGDYQASA-N -1 3 313.300 4.072 20 30 DIEDHM CCOc1cc(/C=C/C(=O)c2cccc(F)c2)cc(Cl)c1[O-] ZINC000301492742 1050720286 /nfs/dbraw/zinc/72/02/86/1050720286.db2.gz PLIPQHSZHDWFBZ-VOTSOKGWSA-N -1 3 320.747 4.480 20 30 DIEDHM CC(C)c1ccc([C@@H](C)CC(=O)[N-]Oc2cccc(C#N)c2)cc1 ZINC001171255337 1050769778 /nfs/dbraw/zinc/76/97/78/1050769778.db2.gz GXBVHFMNXGIPDU-HNNXBMFYSA-N -1 3 322.408 4.285 20 30 DIEDHM N#Cc1cc(Nc2ccc(Cl)cc2[O-])ccc1Br ZINC001214409420 1050895429 /nfs/dbraw/zinc/89/54/29/1050895429.db2.gz HIFBANCUJOOREQ-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM C=CC(C)(C)CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001148726890 1050967569 /nfs/dbraw/zinc/96/75/69/1050967569.db2.gz CNJPTAWHJZENFR-UHFFFAOYSA-N -1 3 323.436 4.315 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2ncc(C(C)(C)C)s2)ccc1[O-] ZINC000790599803 1050976967 /nfs/dbraw/zinc/97/69/67/1050976967.db2.gz DVFUVALRWXVSQE-BQYQJAHWSA-N -1 3 301.411 4.351 20 30 DIEDHM Cc1ccc(O[C@@H](C)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000743042692 1050978670 /nfs/dbraw/zinc/97/86/70/1050978670.db2.gz OMIXZPBSEFDVCW-MDBUFAAASA-N -1 3 303.789 4.240 20 30 DIEDHM CC(C)CCN(CCC#N)C(=O)c1cc2sccc2c([O-])c1 ZINC000791349887 1051044685 /nfs/dbraw/zinc/04/46/85/1051044685.db2.gz DAEOCIHKSTUVOW-UHFFFAOYSA-N -1 3 316.426 4.009 20 30 DIEDHM CC(C)(C)CN(CCC#N)C(=O)c1cc2sccc2c([O-])c1 ZINC000791354232 1051044723 /nfs/dbraw/zinc/04/47/23/1051044723.db2.gz XSZYQRNPXDVEGC-UHFFFAOYSA-N -1 3 316.426 4.009 20 30 DIEDHM CC(C)Oc1ccc(F)c(Nc2cc(C#N)ccc2[O-])c1F ZINC001215176781 1051105210 /nfs/dbraw/zinc/10/52/10/1051105210.db2.gz VZYRPAFVHPHZMU-UHFFFAOYSA-N -1 3 304.296 4.073 20 30 DIEDHM Cc1ccc(F)c(Nc2cc(Br)cc(C#N)c2)c1[O-] ZINC001215740935 1051335751 /nfs/dbraw/zinc/33/57/51/1051335751.db2.gz YWXITCQUEZAZKQ-UHFFFAOYSA-N -1 3 321.149 4.218 20 30 DIEDHM Cc1ccc(F)c(Nc2ccc(Br)c(C#N)c2)c1[O-] ZINC001215740243 1051335898 /nfs/dbraw/zinc/33/58/98/1051335898.db2.gz CTSOYDRKMSJWJC-UHFFFAOYSA-N -1 3 321.149 4.218 20 30 DIEDHM N#Cc1ccc(Br)c(Nc2c([O-])cccc2Cl)c1 ZINC001215987732 1051505134 /nfs/dbraw/zinc/50/51/34/1051505134.db2.gz JFUTZXJLBOXNMW-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM Cc1cc(Nc2ccc(N3CCCC3)c(C#N)c2)cc([O-])c1F ZINC001216082708 1051568527 /nfs/dbraw/zinc/56/85/27/1051568527.db2.gz WEHQXYFMBFQOAE-UHFFFAOYSA-N -1 3 311.360 4.055 20 30 DIEDHM Cc1cc(Nc2ccc(C#N)c(C(F)(F)F)c2)cc([O-])c1F ZINC001216080933 1051568823 /nfs/dbraw/zinc/56/88/23/1051568823.db2.gz QEJVAMWYASXIKD-UHFFFAOYSA-N -1 3 310.250 4.474 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2cc(F)cc(N3CCCCC3)c2)c1 ZINC001216180418 1051616432 /nfs/dbraw/zinc/61/64/32/1051616432.db2.gz MKEQTRSUOYZHHU-UHFFFAOYSA-N -1 3 311.360 4.137 20 30 DIEDHM CCc1cc(Nc2ccc([O-])c(Br)c2)ccc1C#N ZINC001216314988 1051694230 /nfs/dbraw/zinc/69/42/30/1051694230.db2.gz PWVUOCMYWZMIIL-UHFFFAOYSA-N -1 3 317.186 4.332 20 30 DIEDHM Cc1ccc(C(C)C)c([O-])c1-c1nc(-c2cccc(C#N)c2)no1 ZINC001216365014 1051724381 /nfs/dbraw/zinc/72/43/81/1051724381.db2.gz AVDDGTXWSIQVKS-UHFFFAOYSA-N -1 3 319.364 4.413 20 30 DIEDHM N#Cc1ccc(Br)c(Nc2cc(Cl)ccc2[O-])c1 ZINC001216402073 1051747718 /nfs/dbraw/zinc/74/77/18/1051747718.db2.gz XVRPEDDVTSAYHS-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCCC(F)(F)C1 ZINC000767692273 1051840713 /nfs/dbraw/zinc/84/07/13/1051840713.db2.gz VSOZTFVHBJAHGO-CPWFCVNUSA-N -1 3 318.161 4.152 20 30 DIEDHM COc1ccc(F)cc1N=Cc1cc(Br)ccc1[O-] ZINC000768269931 1051911634 /nfs/dbraw/zinc/91/16/34/1051911634.db2.gz SFUPJWOBLOVWIA-UHFFFAOYSA-N -1 3 324.149 4.053 20 30 DIEDHM CC(C)(C#N)CCCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000768756421 1051961616 /nfs/dbraw/zinc/96/16/16/1051961616.db2.gz XKHOVHBRWMPNEG-UHFFFAOYSA-N -1 3 313.756 4.062 20 30 DIEDHM C=CCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C(C)C ZINC000769763108 1052100699 /nfs/dbraw/zinc/10/06/99/1052100699.db2.gz PJRPPAYEZSKQCU-UHFFFAOYSA-N -1 3 311.381 4.221 20 30 DIEDHM Nc1ccccc1O[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001218223064 1052210199 /nfs/dbraw/zinc/21/01/99/1052210199.db2.gz JIFBNOCZHAJELX-VZFXBBDVSA-N -1 3 318.376 4.267 20 30 DIEDHM CC(C)C[C@@H](C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649026004 1052536628 /nfs/dbraw/zinc/53/66/28/1052536628.db2.gz JSZVLVITWCFAMK-SNVBAGLBSA-N -1 3 304.217 4.393 20 30 DIEDHM CC(C)C(O/C(=N\[O-])c1ccccc1Br)C(C)C ZINC001223885148 1052647251 /nfs/dbraw/zinc/64/72/51/1052647251.db2.gz YUVQENKPPYNERB-PEZBUJJGSA-N -1 3 314.223 4.282 20 30 DIEDHM CCOc1cc(C=NNc2cccc(C)c2)cc(Cl)c1[O-] ZINC000916256070 1052597567 /nfs/dbraw/zinc/59/75/67/1052597567.db2.gz KQGDZEGBPIALDR-UHFFFAOYSA-N -1 3 304.777 4.199 20 30 DIEDHM C=CC[C@H](CCC)O/C(=N\[O-])c1ccccc1Br ZINC001223884485 1052647408 /nfs/dbraw/zinc/64/74/08/1052647408.db2.gz LAKACJFGPRLXFJ-QSJBWMMGSA-N -1 3 312.207 4.346 20 30 DIEDHM C=CCc1cc(OC)ccc1OC(=O)c1cc2ccsc2[n-]1 ZINC000916860512 1052661942 /nfs/dbraw/zinc/66/19/42/1052661942.db2.gz VXBKRKVGAQUWDA-UHFFFAOYSA-N -1 3 313.378 4.186 20 30 DIEDHM C=CCc1ccc(OC(=O)c2cc3ccsc3[n-]2)c(OC)c1 ZINC000916860501 1052662092 /nfs/dbraw/zinc/66/20/92/1052662092.db2.gz VGRWGKDDCQBPCB-UHFFFAOYSA-N -1 3 313.378 4.186 20 30 DIEDHM CCC[C@@H](C#Cc1ccccc1)Oc1cc(C(C)=O)ccc1[O-] ZINC001225995959 1052856863 /nfs/dbraw/zinc/85/68/63/1052856863.db2.gz VPVNOLWADPYEQL-SFHVURJKSA-N -1 3 308.377 4.194 20 30 DIEDHM C=CC(C=C)Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226488567 1052901956 /nfs/dbraw/zinc/90/19/56/1052901956.db2.gz FNYBWLMCUTVWFM-UHFFFAOYSA-N -1 3 320.344 4.285 20 30 DIEDHM Cc1ccc(C#N)cc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001226876303 1052940669 /nfs/dbraw/zinc/94/06/69/1052940669.db2.gz BWRWVCGQRKGJIY-GOSISDBHSA-N -1 3 307.305 4.056 20 30 DIEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])c1cccs1 ZINC000920944484 1052956192 /nfs/dbraw/zinc/95/61/92/1052956192.db2.gz MPLOFULMVQFCTD-AVPSXBMNSA-N -1 3 310.216 4.396 20 30 DIEDHM COc1cc(C(=O)/C=C\c2ccc(Cl)c(F)c2)ccc1[O-] ZINC000921262691 1052966608 /nfs/dbraw/zinc/96/66/08/1052966608.db2.gz WSNJQABIXCFKQG-UTCJRWHESA-N -1 3 306.720 4.089 20 30 DIEDHM [O-]c1ccc(C=NNc2nccc3sccc32)cc1Cl ZINC000921258096 1052966913 /nfs/dbraw/zinc/96/69/13/1052966913.db2.gz JUPDEVKGRSFQKA-UHFFFAOYSA-N -1 3 303.774 4.101 20 30 DIEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC001227344595 1052983462 /nfs/dbraw/zinc/98/34/62/1052983462.db2.gz ANXYIEDWWGNTES-SNVBAGLBSA-N -1 3 307.271 4.423 20 30 DIEDHM C[Si](C)(C)C#C[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227345944 1052983686 /nfs/dbraw/zinc/98/36/86/1052983686.db2.gz QLDMORVBJPBNKD-GOSISDBHSA-N -1 3 321.452 4.265 20 30 DIEDHM C=CC[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccc1 ZINC001227744314 1053012244 /nfs/dbraw/zinc/01/22/44/1053012244.db2.gz GFIDJYIQSNFGFU-INIZCTEOSA-N -1 3 309.325 4.167 20 30 DIEDHM C=CC[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccc1 ZINC001227744314 1053012247 /nfs/dbraw/zinc/01/22/47/1053012247.db2.gz GFIDJYIQSNFGFU-INIZCTEOSA-N -1 3 309.325 4.167 20 30 DIEDHM N#CC1CC(Oc2ccccc2N=CC=Nc2ccccc2[O-])C1 ZINC001228127650 1053046552 /nfs/dbraw/zinc/04/65/52/1053046552.db2.gz VWLHXEMOZIGKRX-UHFFFAOYSA-N -1 3 319.364 4.178 20 30 DIEDHM CC#CC[C@H](CC)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228155374 1053048626 /nfs/dbraw/zinc/04/86/26/1053048626.db2.gz SWGGHSBRHGKGGC-KRWDZBQOSA-N -1 3 308.377 4.194 20 30 DIEDHM C=CC[C@H](CCCC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622000 1053147701 /nfs/dbraw/zinc/14/77/01/1053147701.db2.gz GGNUWKJOFAPTBX-CYBMUJFWSA-N -1 3 302.370 4.321 20 30 DIEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853713 1053192315 /nfs/dbraw/zinc/19/23/15/1053192315.db2.gz JZOKJCKOLXLPFK-XAYKYTGQSA-N -1 3 300.398 4.281 20 30 DIEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853710 1053192839 /nfs/dbraw/zinc/19/28/39/1053192839.db2.gz JZOKJCKOLXLPFK-IAISJRAMSA-N -1 3 300.398 4.281 20 30 DIEDHM [O-]c1ccccc1/N=C/c1ccccc1OC1CCSCC1 ZINC001229932788 1053434045 /nfs/dbraw/zinc/43/40/45/1053434045.db2.gz HXNIYUVVZGYKQF-CPNJWEJPSA-N -1 3 313.422 4.417 20 30 DIEDHM C[C@@H](Oc1ccccc1/C=N/c1ccccc1[O-])C(F)(F)F ZINC001229933001 1053434772 /nfs/dbraw/zinc/43/47/72/1053434772.db2.gz KLULIRHPULRBEZ-JZOCJUILSA-N -1 3 309.287 4.472 20 30 DIEDHM C#C[C@H]1CCC[C@@H]1Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229936754 1053435178 /nfs/dbraw/zinc/43/51/78/1053435178.db2.gz FZADEYKQQXLQLB-FLWJNDPBSA-N -1 3 305.377 4.324 20 30 DIEDHM C#C[C@H](CC)Oc1cc(C(=O)c2ccc(Cl)cc2)ccc1[O-] ZINC001230452987 1053540899 /nfs/dbraw/zinc/54/08/99/1053540899.db2.gz LGMQQCQWXZPKRL-OAHLLOKOSA-N -1 3 314.768 4.067 20 30 DIEDHM Cc1ccc(NC(=S)Nc2ccc([O-])c(C#N)c2)c(Cl)c1 ZINC001200337654 1053573054 /nfs/dbraw/zinc/57/30/54/1053573054.db2.gz QBVWXPKGFQTBBR-UHFFFAOYSA-N -1 3 317.801 4.035 20 30 DIEDHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001472619240 1053845167 /nfs/dbraw/zinc/84/51/67/1053845167.db2.gz CTNCTTZGINJIAX-VQTJNVASSA-N -1 3 323.436 4.339 20 30 DIEDHM N#CCCN(Cc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC001231878001 1053903125 /nfs/dbraw/zinc/90/31/25/1053903125.db2.gz CSIACEIHODSQMF-UHFFFAOYSA-N -1 3 316.404 4.461 20 30 DIEDHM N#Cc1ccc([O-])c(CN2CCCC[C@H]2c2ccccc2F)c1 ZINC001232680215 1054099498 /nfs/dbraw/zinc/09/94/98/1054099498.db2.gz ZCICUDDUPQOGLX-SFHVURJKSA-N -1 3 310.372 4.130 20 30 DIEDHM C=CCCN(Cc1ccccc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232971909 1054162973 /nfs/dbraw/zinc/16/29/73/1054162973.db2.gz RXVXCJGQOFFYDR-UHFFFAOYSA-N -1 3 303.352 4.249 20 30 DIEDHM N#CCCN(Cc1ccc(Cl)cc1)Cc1cccc([O-])c1F ZINC001233057414 1054179972 /nfs/dbraw/zinc/17/99/72/1054179972.db2.gz LTOBPNWPFXTQGN-UHFFFAOYSA-N -1 3 318.779 4.101 20 30 DIEDHM N#CC1(c2ccccc2)CCN(Cc2ccc([S-])cc2)CC1 ZINC001233258699 1054218345 /nfs/dbraw/zinc/21/83/45/1054218345.db2.gz PIOIRMZHBXXQRI-UHFFFAOYSA-N -1 3 308.450 4.033 20 30 DIEDHM C=CC(C)(C)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC001439998594 1054321969 /nfs/dbraw/zinc/32/19/69/1054321969.db2.gz IKEBRXITDAFCHU-UHFFFAOYSA-N -1 3 308.155 4.166 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCc2ccc(Cl)cc21 ZINC001233801928 1054361079 /nfs/dbraw/zinc/36/10/79/1054361079.db2.gz DSSWATNRUHOKCV-GDXCHIGESA-N -1 3 317.772 4.223 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001233802589 1054362578 /nfs/dbraw/zinc/36/25/78/1054362578.db2.gz HVQLKSBVVHDCSR-GVJHIURUSA-N -1 3 303.402 4.241 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1cccc(Cl)c1 ZINC001233803059 1054363277 /nfs/dbraw/zinc/36/32/77/1054363277.db2.gz KZGQDFOATLEJST-VDCVXVNISA-N -1 3 305.761 4.297 20 30 DIEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1ccc(/C=N/[O-])cc1OC ZINC001233803554 1054363706 /nfs/dbraw/zinc/36/37/06/1054363706.db2.gz QWGDXHXXNDYBPM-XLLFITQBSA-N -1 3 303.402 4.263 20 30 DIEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2c(Cl)ccc([O-])c2F)O1 ZINC001234263926 1054479663 /nfs/dbraw/zinc/47/96/63/1054479663.db2.gz KPTRISBPGWCHPJ-BLLLJJGKSA-N -1 3 314.784 4.466 20 30 DIEDHM CCc1ncoc1C(=O)[N-]c1sc(-c2ccccc2)cc1C#N ZINC001357753610 1054540033 /nfs/dbraw/zinc/54/00/33/1054540033.db2.gz KOODUCJTRRKBNE-UHFFFAOYSA-N -1 3 323.377 4.089 20 30 DIEDHM C=CC[C@H](CCCC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792511 1054593841 /nfs/dbraw/zinc/59/38/41/1054593841.db2.gz CEYOJPMSGZZXAS-CQSZACIVSA-N -1 3 306.402 4.426 20 30 DIEDHM C=CCOc1ccccc1[C@H](C)Oc1nc2ccsc2[n-]1 ZINC001234848570 1054601091 /nfs/dbraw/zinc/60/10/91/1054601091.db2.gz QXBDRXCHLNGLCM-NSHDSACASA-N -1 3 300.383 4.329 20 30 DIEDHM C=CCOc1ccccc1[C@H](C)Oc1nc2sccc2[n-]1 ZINC001234848570 1054601104 /nfs/dbraw/zinc/60/11/04/1054601104.db2.gz QXBDRXCHLNGLCM-NSHDSACASA-N -1 3 300.383 4.329 20 30 DIEDHM N#CCCN(Cc1ccc(Cl)cc1)Cc1cc([O-])cc(F)c1 ZINC001237280592 1055415972 /nfs/dbraw/zinc/41/59/72/1055415972.db2.gz KFGUKRISFVSPHZ-UHFFFAOYSA-N -1 3 318.779 4.101 20 30 DIEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc(CC)cc1[O-] ZINC001565727732 1055722076 /nfs/dbraw/zinc/72/20/76/1055722076.db2.gz MGVBVDCHRYZROP-UHFFFAOYSA-N -1 3 301.430 4.163 20 30 DIEDHM Cc1ccc(CC(=O)N([O-])Cc2ccccc2Cl)c(Cl)c1 ZINC001649045813 1055746354 /nfs/dbraw/zinc/74/63/54/1055746354.db2.gz DERWGSRSRBDLDI-UHFFFAOYSA-N -1 3 324.207 4.262 20 30 DIEDHM CC(C)(C)c1nc(C(=O)N([O-])Cc2ccccc2Cl)cs1 ZINC001649046255 1055751490 /nfs/dbraw/zinc/75/14/90/1055751490.db2.gz PBPKUPKOMIRKPH-UHFFFAOYSA-N -1 3 324.833 4.126 20 30 DIEDHM CCCCCCN([O-])C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC001649056875 1055788031 /nfs/dbraw/zinc/78/80/31/1055788031.db2.gz JOVDPDBTXOTAEQ-UHFFFAOYSA-N -1 3 322.430 4.432 20 30 DIEDHM CCCCN([O-])C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001649056916 1055789101 /nfs/dbraw/zinc/78/91/01/1055789101.db2.gz LBCBDLUGGUIHPA-UHFFFAOYSA-N -1 3 307.434 4.161 20 30 DIEDHM C=CCC1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCCCC1 ZINC001569928310 1055878440 /nfs/dbraw/zinc/87/84/40/1055878440.db2.gz PPXZUZJYAOALEQ-UHFFFAOYSA-N -1 3 301.386 4.060 20 30 DIEDHM C=CCOc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC001583275544 1056051438 /nfs/dbraw/zinc/05/14/38/1056051438.db2.gz ZMGVCAPFKCGXNA-UHFFFAOYSA-N -1 3 323.392 4.088 20 30 DIEDHM Cc1coc(C)c1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001611642563 1056178471 /nfs/dbraw/zinc/17/84/71/1056178471.db2.gz VRYDQILRGAENGH-UHFFFAOYSA-N -1 3 314.168 4.235 20 30 DIEDHM CC1CCN(C(=O)c2cccc(-c3ccccc3C=N[O-])c2)CC1 ZINC001240111167 1056333483 /nfs/dbraw/zinc/33/34/83/1056333483.db2.gz VGYUHNAKDIHSRC-UHFFFAOYSA-N -1 3 322.408 4.034 20 30 DIEDHM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)c(C)s1 ZINC000682993798 1056928770 /nfs/dbraw/zinc/92/87/70/1056928770.db2.gz BBQOWOMASVZZBS-INIZCTEOSA-N -1 3 306.390 4.403 20 30 DIEDHM Cc1ccccc1-c1nc(C([O-])=C(C#N)c2ccccn2)cs1 ZINC000067601499 1056947301 /nfs/dbraw/zinc/94/73/01/1056947301.db2.gz QZUUGVXFMMNRSR-CQSZACIVSA-N -1 3 319.389 4.004 20 30 DIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc[nH]c2C2CC2)s1 ZINC000347781944 1057101681 /nfs/dbraw/zinc/10/16/81/1057101681.db2.gz VOSANAAVMTXOOQ-LBPRGKRZSA-N -1 3 313.426 4.136 20 30 DIEDHM COc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ccc1CC#N ZINC001242157145 1057283647 /nfs/dbraw/zinc/28/36/47/1057283647.db2.gz FGFLEPSOUWYERY-UHFFFAOYSA-N -1 3 307.271 4.153 20 30 DIEDHM C=CCN(CCc1ccco1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000525930684 1057657384 /nfs/dbraw/zinc/65/73/84/1057657384.db2.gz HKXUMBXNNDKWAC-UHFFFAOYSA-N -1 3 321.376 4.009 20 30 DIEDHM N#CC1(c2ccc(-c3cc(C(F)(F)F)[n-]c(=S)n3)cc2)CC1 ZINC001243418957 1057677948 /nfs/dbraw/zinc/67/79/48/1057677948.db2.gz PJGGJLYKWGPIQP-UHFFFAOYSA-N -1 3 321.327 4.006 20 30 DIEDHM COc1cc(/C=C\C(=O)c2ccc(F)cc2C)cc(Cl)c1[O-] ZINC000731317625 1057741389 /nfs/dbraw/zinc/74/13/89/1057741389.db2.gz BNRGYUGFJIIIBA-UTCJRWHESA-N -1 3 320.747 4.398 20 30 DIEDHM COc1cccc(C[C@@H](C)/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000732926289 1057791450 /nfs/dbraw/zinc/79/14/50/1057791450.db2.gz KUUWNCIADFTKTD-ZGXHQARYSA-N -1 3 303.789 4.104 20 30 DIEDHM N#Cc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])c2cc[nH]c21 ZINC001244461559 1057964996 /nfs/dbraw/zinc/96/49/96/1057964996.db2.gz XMEJGOSPCPZXEN-UHFFFAOYSA-N -1 3 318.254 4.311 20 30 DIEDHM Cc1cc(-c2ccc(OC(F)(F)F)cc2[O-])cc(F)c1C#N ZINC001244467859 1057967439 /nfs/dbraw/zinc/96/74/39/1057967439.db2.gz JRSKEJDPRNKWRJ-UHFFFAOYSA-N -1 3 311.234 4.277 20 30 DIEDHM N#Cc1ccc(-c2ccc(OC(F)(F)F)cc2[O-])c2cc[nH]c21 ZINC001244468924 1057967911 /nfs/dbraw/zinc/96/79/11/1057967911.db2.gz XWPCPPXLKOOAOZ-UHFFFAOYSA-N -1 3 318.254 4.311 20 30 DIEDHM C=CCC[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC001559037104 1058941075 /nfs/dbraw/zinc/94/10/75/1058941075.db2.gz JATCCMHUCXRPIK-GOSISDBHSA-N -1 3 313.372 4.294 20 30 DIEDHM CCc1ccccc1CC(=O)N([O-])CCCCc1ccccc1 ZINC001559034051 1058941375 /nfs/dbraw/zinc/94/13/75/1058941375.db2.gz KSIAEJWQZICBOJ-UHFFFAOYSA-N -1 3 311.425 4.032 20 30 DIEDHM Cc1ccc(F)c2oc(C(=O)N([O-])Cc3ccc(F)cc3)cc21 ZINC001559037351 1058942469 /nfs/dbraw/zinc/94/24/69/1058942469.db2.gz SXHKEABQXJRRRP-UHFFFAOYSA-N -1 3 317.291 4.051 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1c(C)nc2ccccc2c1C ZINC001559034637 1058942824 /nfs/dbraw/zinc/94/28/24/1058942824.db2.gz JGIODXOXJFTBST-UHFFFAOYSA-N -1 3 314.429 4.192 20 30 DIEDHM CC(C)(C)OCCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC001559036243 1058943858 /nfs/dbraw/zinc/94/38/58/1058943858.db2.gz AEWAFBMGBLFFRR-UHFFFAOYSA-N -1 3 315.413 4.153 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC001559035210 1058944173 /nfs/dbraw/zinc/94/41/73/1058944173.db2.gz HHNRIBLARPZMKT-VNQPRFMTSA-N -1 3 307.821 4.024 20 30 DIEDHM CC(C)(C)c1cc([O-])c(CN2CCC[C@@H](C#N)C2)cc1Cl ZINC001248883201 1060037275 /nfs/dbraw/zinc/03/72/75/1060037275.db2.gz AHACNPHYRNITMD-LBPRGKRZSA-N -1 3 306.837 4.079 20 30 DIEDHM CCCCCCCNC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001249642590 1060325582 /nfs/dbraw/zinc/32/55/82/1060325582.db2.gz FCNAEAHMSILZSI-UHFFFAOYSA-N -1 3 300.855 4.302 20 30 DIEDHM CCCCCCCCN(C)Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249769602 1060389443 /nfs/dbraw/zinc/38/94/43/1060389443.db2.gz MPSGVMDHKHUBHK-UHFFFAOYSA-N -1 3 313.388 4.455 20 30 DIEDHM C=CCc1cccc(-c2nc3c(cc(Cl)cc3F)[nH]2)c1[O-] ZINC001250712247 1061032524 /nfs/dbraw/zinc/03/25/24/1061032524.db2.gz BHSDMLKQLAUHSB-UHFFFAOYSA-N -1 3 302.736 4.457 20 30 DIEDHM C=CCc1cccc(-c2nc3c(ccc(F)c3Cl)[nH]2)c1[O-] ZINC001250712919 1061035180 /nfs/dbraw/zinc/03/51/80/1061035180.db2.gz PVEFKDDNEXRHMG-UHFFFAOYSA-N -1 3 302.736 4.457 20 30 DIEDHM C=CCc1cccc(-c2nc3cc(F)c(Cl)cc3[nH]2)c1[O-] ZINC001250712876 1061036942 /nfs/dbraw/zinc/03/69/42/1061036942.db2.gz ODVRBGIWUSLXNR-UHFFFAOYSA-N -1 3 302.736 4.457 20 30 DIEDHM Cc1cc2nc(-c3ccc(C#N)cc3[O-])[nH]c2cc1C(F)(F)F ZINC001251332303 1061317626 /nfs/dbraw/zinc/31/76/26/1061317626.db2.gz OPGGDQFVMPIKGS-UHFFFAOYSA-N -1 3 317.270 4.134 20 30 DIEDHM O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N([O-])Cc1ccccc1Cl ZINC001457994014 1061535427 /nfs/dbraw/zinc/53/54/27/1061535427.db2.gz OJKHBTITWJJBCV-LSDHHAIUSA-N -1 3 319.763 4.001 20 30 DIEDHM O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N([O-])Cc1ccccc1Cl ZINC001457994000 1061535784 /nfs/dbraw/zinc/53/57/84/1061535784.db2.gz OJKHBTITWJJBCV-CABCVRRESA-N -1 3 319.763 4.001 20 30 DIEDHM Cc1ccccc1[C@@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC001457993890 1061536037 /nfs/dbraw/zinc/53/60/37/1061536037.db2.gz NPYUBJOJJPQYSD-CYBMUJFWSA-N -1 3 303.789 4.170 20 30 DIEDHM C[C@H]1C[C@H](CC(=O)N([O-])Cc2ccc(F)cc2)CC(C)(C)C1 ZINC001458017511 1061540140 /nfs/dbraw/zinc/54/01/40/1061540140.db2.gz RLTIBFPZBHFGML-DZGCQCFKSA-N -1 3 307.409 4.396 20 30 DIEDHM CCCc1nc(C)c(C(=O)N([O-])Cc2cccc3ccccc32)o1 ZINC001458015220 1061540610 /nfs/dbraw/zinc/54/06/10/1061540610.db2.gz DBMWRWLRBOKCOS-UHFFFAOYSA-N -1 3 324.380 4.120 20 30 DIEDHM O=C(CC1(C(F)(F)F)CC1)N([O-])Cc1cccc2ccccc21 ZINC001458019663 1061542610 /nfs/dbraw/zinc/54/26/10/1061542610.db2.gz XRKUVPOOKFISNW-UHFFFAOYSA-N -1 3 323.314 4.290 20 30 DIEDHM N#Cc1cccc(-c2cc([O-])cc(-c3nnc(C4CCC4)o3)c2)c1 ZINC001255257555 1062369585 /nfs/dbraw/zinc/36/95/85/1062369585.db2.gz VFLLNVCREZTROV-UHFFFAOYSA-N -1 3 317.348 4.248 20 30 DIEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC001469734020 1062614260 /nfs/dbraw/zinc/61/42/60/1062614260.db2.gz ZANOVBIURZHVGD-OAHLLOKOSA-N -1 3 321.420 4.203 20 30 DIEDHM CCCCN([O-])C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC001472620442 1063105221 /nfs/dbraw/zinc/10/52/21/1063105221.db2.gz BVPKQTGFYARLED-UHFFFAOYSA-N -1 3 315.385 4.098 20 30 DIEDHM O=C(c1csc(Cl)c1)N([O-])Cc1ccccc1Cl ZINC001472620112 1063105360 /nfs/dbraw/zinc/10/53/60/1063105360.db2.gz PKMXHXCAVGCMNR-UHFFFAOYSA-N -1 3 302.182 4.087 20 30 DIEDHM O=C([C@H]1CCCc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001472619098 1063108676 /nfs/dbraw/zinc/10/86/76/1063108676.db2.gz WLKBEPHDWRALEM-INIZCTEOSA-N -1 3 315.800 4.178 20 30 DIEDHM CCCCCCN([O-])C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC001472621308 1063109072 /nfs/dbraw/zinc/10/90/72/1063109072.db2.gz PBCXWFIMSWVLKW-CQSZACIVSA-N -1 3 302.418 4.460 20 30 DIEDHM Cc1ccc(CCC(=O)N([O-])Cc2ccccc2Cl)c(C)c1 ZINC001472619172 1063109542 /nfs/dbraw/zinc/10/95/42/1063109542.db2.gz ZIVDGYSJWZQVNW-UHFFFAOYSA-N -1 3 317.816 4.307 20 30 DIEDHM O=C(CCCCc1ccccc1)N([O-])Cc1ccccc1Cl ZINC001472619683 1063110161 /nfs/dbraw/zinc/11/01/61/1063110161.db2.gz CNQOWJUSQQAAFZ-UHFFFAOYSA-N -1 3 317.816 4.471 20 30 DIEDHM Cc1cccc(CCC(=O)N([O-])CCCCc2ccccc2)c1 ZINC001472620288 1063110331 /nfs/dbraw/zinc/11/03/31/1063110331.db2.gz WLQRNEUCLSDGAI-UHFFFAOYSA-N -1 3 311.425 4.168 20 30 DIEDHM Cc1ccc(CC(=O)N([O-])Cc2cccc3ccccc32)cc1C ZINC001472623101 1063111313 /nfs/dbraw/zinc/11/13/13/1063111313.db2.gz VTDWOZJATNWKEA-UHFFFAOYSA-N -1 3 319.404 4.417 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2coc(C(C)(C)C)n2)c1C#N ZINC001264921750 1064169156 /nfs/dbraw/zinc/16/91/56/1064169156.db2.gz XISASVQBAGLHHH-UHFFFAOYSA-N -1 3 317.414 4.028 20 30 DIEDHM C=C(C)CN(CC)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001290427274 1064692190 /nfs/dbraw/zinc/69/21/90/1064692190.db2.gz ZYYMZDSLLNIQCZ-UHFFFAOYSA-N -1 3 323.436 4.216 20 30 DIEDHM C=CCN(C(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC001298806124 1065021798 /nfs/dbraw/zinc/02/17/98/1065021798.db2.gz TZVSQRUTGYPDBE-UHFFFAOYSA-N -1 3 309.390 4.440 20 30 DIEDHM O=C(c1conc1C1CCCC1)N([O-])Cc1ccccc1Cl ZINC001306895305 1065198637 /nfs/dbraw/zinc/19/86/37/1065198637.db2.gz XQZAGTDFIOLBND-UHFFFAOYSA-N -1 3 320.776 4.017 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC001306896599 1065198674 /nfs/dbraw/zinc/19/86/74/1065198674.db2.gz DZIQYRZGLILQLZ-UHFFFAOYSA-N -1 3 323.462 4.170 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001306897349 1065198735 /nfs/dbraw/zinc/19/87/35/1065198735.db2.gz JEZSFLOJAGARBV-UHFFFAOYSA-N -1 3 324.327 4.032 20 30 DIEDHM CC(C)=C[C@H]1[C@@H](C(=O)N([O-])CCCCc2ccccc2)C1(C)C ZINC001306896259 1065199066 /nfs/dbraw/zinc/19/90/66/1065199066.db2.gz PKIYWUKMFDFIOA-ROUUACIJSA-N -1 3 315.457 4.466 20 30 DIEDHM CSc1ccc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)o1 ZINC000091208866 193019601 /nfs/dbraw/zinc/01/96/01/193019601.db2.gz PREZORKOQOTXOO-UHFFFAOYSA-N -1 3 320.439 4.484 20 30 DIEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3ccsn3)sc2CC[C@@H]1C ZINC000297711420 132029909 /nfs/dbraw/zinc/02/99/09/132029909.db2.gz GJNUVXYYVLEOLD-DTWKUNHWSA-N -1 3 317.439 4.014 20 30 DIEDHM CCc1nc(C)c(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)o1 ZINC000297847845 132036779 /nfs/dbraw/zinc/03/67/79/132036779.db2.gz RXRQCARTFFEUOD-UHFFFAOYSA-N -1 3 317.414 4.028 20 30 DIEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3cscn3)sc21 ZINC000297975108 132042907 /nfs/dbraw/zinc/04/29/07/132042907.db2.gz WSDICHQIXQSHAD-DTWKUNHWSA-N -1 3 317.439 4.014 20 30 DIEDHM C=CC[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000427651112 332477359 /nfs/dbraw/zinc/47/73/59/332477359.db2.gz NJVFACVSPWDASL-CQSZACIVSA-N -1 3 301.773 4.344 20 30 DIEDHM C=CC[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000427653517 332478195 /nfs/dbraw/zinc/47/81/95/332478195.db2.gz JAVGWZLXMFWNQK-CQSZACIVSA-N -1 3 301.773 4.344 20 30 DIEDHM C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(F)cc1[O-] ZINC000170789550 332636648 /nfs/dbraw/zinc/63/66/48/332636648.db2.gz JIWDCLRYDLXOEX-ZDUSSCGKSA-N -1 3 314.360 4.387 20 30 DIEDHM C=CCc1cccc(C(C)C)c1NC(=O)c1cccc2nn[n-]c21 ZINC000188068368 333024230 /nfs/dbraw/zinc/02/42/30/333024230.db2.gz IEUMBGMLCXUYBQ-UHFFFAOYSA-N -1 3 320.396 4.062 20 30 DIEDHM C=CCc1cccc(C(C)C)c1NC(=O)c1cccc2[n-]nnc21 ZINC000188068368 333024232 /nfs/dbraw/zinc/02/42/32/333024232.db2.gz IEUMBGMLCXUYBQ-UHFFFAOYSA-N -1 3 320.396 4.062 20 30 DIEDHM C=CCc1cccc(C(C)C)c1NC(=O)c1cccc2n[n-]nc21 ZINC000188068368 333024233 /nfs/dbraw/zinc/02/42/33/333024233.db2.gz IEUMBGMLCXUYBQ-UHFFFAOYSA-N -1 3 320.396 4.062 20 30 DIEDHM C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187801933 333238214 /nfs/dbraw/zinc/23/82/14/333238214.db2.gz VHIMIOARNZTQFY-LRDDRELGSA-N -1 3 316.351 4.366 20 30 DIEDHM C[C@@H]1Cc2sc([N-]C(=O)c3cncs3)c(C#N)c2[C@@H](C)C1 ZINC000411007299 333619953 /nfs/dbraw/zinc/61/99/53/333619953.db2.gz GCFNVOREEZBUOL-IUCAKERBSA-N -1 3 317.439 4.014 20 30 DIEDHM CCc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1[O-] ZINC000291390049 334178317 /nfs/dbraw/zinc/17/83/17/334178317.db2.gz CHZVSQBECXXAFX-UHFFFAOYSA-N -1 3 308.381 4.008 20 30 DIEDHM C=CCC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000343212832 334672636 /nfs/dbraw/zinc/67/26/36/334672636.db2.gz SWWFZOGTVHDDCN-QGZVFWFLSA-N -1 3 315.800 4.483 20 30 DIEDHM CC(C)n1cccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000343913861 335201848 /nfs/dbraw/zinc/20/18/48/335201848.db2.gz GRHJGIUGWNNIJK-LBPRGKRZSA-N -1 3 309.394 4.169 20 30 DIEDHM Cc1cc(C(=O)[N-]c2scc(C)c2C#N)c(C(F)(F)F)o1 ZINC000344904161 335284383 /nfs/dbraw/zinc/28/43/83/335284383.db2.gz WEJOYTJSJLBAAE-UHFFFAOYSA-N -1 3 314.288 4.101 20 30 DIEDHM Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)sc1C ZINC000345366834 335320799 /nfs/dbraw/zinc/32/07/99/335320799.db2.gz COAUUZVDQXLXTP-GFCCVEGCSA-N -1 3 309.394 4.040 20 30 DIEDHM COc1cc(C(=O)N[C@@H]2CCCCC23CCCC3)ccc1[O-] ZINC000330314805 336152351 /nfs/dbraw/zinc/15/23/51/336152351.db2.gz PHUJGPWESHWDCA-MRXNPFEDSA-N -1 3 303.402 4.208 20 30 DIEDHM COc1cc(C(=O)N[C@H]2CCCCC23CCCC3)ccc1[O-] ZINC000330314804 336152454 /nfs/dbraw/zinc/15/24/54/336152454.db2.gz PHUJGPWESHWDCA-INIZCTEOSA-N -1 3 303.402 4.208 20 30 DIEDHM N#Cc1ccsc1[N-]C(=O)c1ccc(Oc2ccccc2)o1 ZINC000177567291 337157817 /nfs/dbraw/zinc/15/78/17/337157817.db2.gz LPCBITYUQDPSDI-UHFFFAOYSA-N -1 3 310.334 4.257 20 30 DIEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000182410704 337188311 /nfs/dbraw/zinc/18/83/11/337188311.db2.gz CXOHQRWZSAWRJK-GFCCVEGCSA-N -1 3 312.394 4.039 20 30 DIEDHM C=CC[C@@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CCCC1(C)C ZINC000277886530 337667226 /nfs/dbraw/zinc/66/72/26/337667226.db2.gz FKIHDMJUVOQEEF-SFHVURJKSA-N -1 3 324.424 4.147 20 30 DIEDHM N#Cc1ccsc1[N-]C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000120457061 337874302 /nfs/dbraw/zinc/87/43/02/337874302.db2.gz WHDMYJUOJBREMF-UHFFFAOYSA-N -1 3 312.325 4.271 20 30 DIEDHM CC(C)n1cccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430617406 338109956 /nfs/dbraw/zinc/10/99/56/338109956.db2.gz MJUXMVUKAIHDOS-GFCCVEGCSA-N -1 3 315.442 4.313 20 30 DIEDHM CC(C)n1cccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430617407 338110060 /nfs/dbraw/zinc/11/00/60/338110060.db2.gz MJUXMVUKAIHDOS-LBPRGKRZSA-N -1 3 315.442 4.313 20 30 DIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(F)cc2)s1 ZINC000430635004 338110113 /nfs/dbraw/zinc/11/01/13/338110113.db2.gz UEWUULQYIHUIHD-LBPRGKRZSA-N -1 3 302.374 4.070 20 30 DIEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)cc1[O-] ZINC000436620878 338280381 /nfs/dbraw/zinc/28/03/81/338280381.db2.gz VACHSIIXWSKQFR-UHFFFAOYSA-N -1 3 321.829 4.244 20 30 DIEDHM Cc1cc(F)ccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000155919997 338319626 /nfs/dbraw/zinc/31/96/26/338319626.db2.gz INTYKIXKUVEXOL-CYBMUJFWSA-N -1 3 322.261 4.038 20 30 DIEDHM CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000476479225 339477263 /nfs/dbraw/zinc/47/72/63/339477263.db2.gz FCCOYACKBOWJIR-UHFFFAOYSA-N -1 3 314.772 4.099 20 30 DIEDHM COc1ccc([O-])c2nc(/C=C/c3cc(C#N)cs3)ccc12 ZINC000478907452 339524321 /nfs/dbraw/zinc/52/43/21/339524321.db2.gz CXNLVNBNXIOEAK-DUXPYHPUSA-N -1 3 308.362 4.053 20 30 DIEDHM CCCc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190951602 340548431 /nfs/dbraw/zinc/54/84/31/340548431.db2.gz XKEVYBNHLIZQFO-MRXNPFEDSA-N -1 3 315.376 4.072 20 30 DIEDHM C=C[C@H](CC(=O)Nc1c([O-])cccc1Cl)c1ccccc1 ZINC000522038385 340563446 /nfs/dbraw/zinc/56/34/46/340563446.db2.gz YFIVXFVVEPCXPK-GFCCVEGCSA-N -1 3 301.773 4.344 20 30 DIEDHM Cc1nc(C([O-])=C(C#N)c2ccccn2)c(-c2ccccc2)s1 ZINC000543582551 341049513 /nfs/dbraw/zinc/04/95/13/341049513.db2.gz OPAPONFCCGRQIR-AWEZNQCLSA-N -1 3 319.389 4.004 20 30 DIEDHM Cc1nc(-c2cccc(C([O-])=C(C#N)c3ccccn3)c2)cs1 ZINC000076825060 341214565 /nfs/dbraw/zinc/21/45/65/341214565.db2.gz QYZZUKLDMXDBBV-OAHLLOKOSA-N -1 3 319.389 4.004 20 30 DIEDHM CCC[C@H](CC)O/C(=N\[O-])c1ccccc1Br ZINC001223884161 1052646709 /nfs/dbraw/zinc/64/67/09/1052646709.db2.gz CUKQHKFBZUZBTK-ZSNVJIKNSA-N -1 3 300.196 4.180 20 30 DIEDHM C[C@H]1CC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001559031113 1058937592 /nfs/dbraw/zinc/93/75/92/1058937592.db2.gz SELAUJURGXPATB-ONGXEEELSA-N -1 3 302.201 4.147 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccc(Br)s2)ccc1[O-] ZINC000728230677 1036161129 /nfs/dbraw/zinc/16/11/29/1036161129.db2.gz DVWUBMDUKCANCK-UTCJRWHESA-N -1 3 323.211 4.421 20 30 DIEDHM C=CCc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc(OC)c1O ZINC000728231951 1036172583 /nfs/dbraw/zinc/17/25/83/1036172583.db2.gz OQIOFJXHHBSVQD-SOFGYWHQSA-N -1 3 324.376 4.039 20 30 DIEDHM COc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)ccc1SC ZINC000728232889 1036191386 /nfs/dbraw/zinc/19/13/86/1036191386.db2.gz XPJJCVZBUGWYTQ-DAXSKMNVSA-N -1 3 314.406 4.327 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccccc2OC(F)F)ccc1[O-] ZINC000728232526 1036203324 /nfs/dbraw/zinc/20/33/24/1036203324.db2.gz WAMQIIWUORDHFS-TWGQIWQCSA-N -1 3 304.292 4.198 20 30 DIEDHM CCCCN([O-])C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001651229459 1036658557 /nfs/dbraw/zinc/65/85/57/1036658557.db2.gz OMVIUMSTFBFHNG-SNVBAGLBSA-N -1 3 304.217 4.190 20 30 DIEDHM Fc1c(F)c(C(F)(F)F)c(F)c(F)c1[N-]c1nccs1 ZINC001210993596 1037087689 /nfs/dbraw/zinc/08/76/89/1037087689.db2.gz FUJTXAVLVUFJJK-UHFFFAOYSA-N -1 3 316.201 4.462 20 30 DIEDHM CCOc1cc(/C=C\C(=O)c2ccc(C)o2)cc(Cl)c1[O-] ZINC000255376964 1038085252 /nfs/dbraw/zinc/08/52/52/1038085252.db2.gz HFKSTNKENNPVHV-WAYWQWQTSA-N -1 3 306.745 4.242 20 30 DIEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc3ncccc3c2)n1 ZINC000131176597 1038206541 /nfs/dbraw/zinc/20/65/41/1038206541.db2.gz GTJIWODVCSCFNG-AWEZNQCLSA-N -1 3 321.405 4.305 20 30 DIEDHM Cc1c2cccc(Cl)c2oc1C([O-])=C(C#N)c1ccccn1 ZINC000046439452 1038453012 /nfs/dbraw/zinc/45/30/12/1038453012.db2.gz UHAMDMYEJVNUTC-LBPRGKRZSA-N -1 3 310.740 4.280 20 30 DIEDHM CC(=NNc1cccc(C(F)(F)F)c1)c1ccc([O-])c(F)c1 ZINC000728427622 1038456139 /nfs/dbraw/zinc/45/61/39/1038456139.db2.gz SYWPHSYRDQXVRU-UHFFFAOYSA-N -1 3 312.266 4.386 20 30 DIEDHM CCOc1cc(/C=C\C(=O)c2ccsc2)cc(Cl)c1[O-] ZINC000255829435 1040503911 /nfs/dbraw/zinc/50/39/11/1040503911.db2.gz INFVCRXGJBLVGR-ARJAWSKDSA-N -1 3 308.786 4.402 20 30 DIEDHM CC[C@H](C)Oc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000175082787 1041034573 /nfs/dbraw/zinc/03/45/73/1041034573.db2.gz YVQWPDANEYUYQO-WFASDCNBSA-N -1 3 314.410 4.119 20 30 DIEDHM N#Cc1cccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000810576621 1041407495 /nfs/dbraw/zinc/40/74/95/1041407495.db2.gz PYNRMRRVLOLTBL-UHFFFAOYSA-N -1 3 316.769 4.111 20 30 DIEDHM N#C[C@H]1CC[C@@H](COC(=O)c2cc3cc(Cl)sc3[n-]2)CC1 ZINC000810880200 1041454566 /nfs/dbraw/zinc/45/45/66/1041454566.db2.gz XTQUXWOWJQAYME-AOOOYVTPSA-N -1 3 322.817 4.370 20 30 DIEDHM CCCCCc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000747713274 1041515390 /nfs/dbraw/zinc/51/53/90/1041515390.db2.gz RBTBMAZYSVPJQQ-UHFFFAOYSA-N -1 3 312.413 4.071 20 30 DIEDHM Cc1cc([N-]c2snc(Cl)c2C#N)nn1C1CCCCC1 ZINC000811858135 1041575837 /nfs/dbraw/zinc/57/58/37/1041575837.db2.gz RLUZLYWVDIEPPK-UHFFFAOYSA-N -1 3 321.837 4.422 20 30 DIEDHM CC(=NNc1ccccc1F)c1cc(Br)ccc1[O-] ZINC000812460315 1041624509 /nfs/dbraw/zinc/62/45/09/1041624509.db2.gz NTTUWTAZTANJMK-UHFFFAOYSA-N -1 3 323.165 4.130 20 30 DIEDHM C#C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccc(Cl)cc1 ZINC000816616499 1042072980 /nfs/dbraw/zinc/07/29/80/1042072980.db2.gz YIOPLEFNXFPTDP-OAHLLOKOSA-N -1 3 324.182 4.302 20 30 DIEDHM CCCCOc1ccc(F)cc1Nc1cc(C#N)ccc1[O-] ZINC001211719044 1042357802 /nfs/dbraw/zinc/35/78/02/1042357802.db2.gz UDFABXRTLQPPTG-UHFFFAOYSA-N -1 3 300.333 4.325 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/C1=Cc2ccccc2OC1 ZINC000726743302 1042521417 /nfs/dbraw/zinc/52/14/17/1042521417.db2.gz CGZWBACWGRYKSZ-ZECSTPGPSA-N -1 3 322.335 4.234 20 30 DIEDHM Cc1ccc(-c2ccc(C)c(N=Cc3ccc(O)c([O-])c3O)c2)o1 ZINC000794834199 1043072487 /nfs/dbraw/zinc/07/24/87/1043072487.db2.gz RUKRYSUDZWVWRC-UHFFFAOYSA-N -1 3 323.348 4.431 20 30 DIEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000328831094 1043078844 /nfs/dbraw/zinc/07/88/44/1043078844.db2.gz KWACXZLYPANRLC-BFHYXJOUSA-N -1 3 316.401 4.274 20 30 DIEDHM Cc1sc([N-]C(=O)c2snnc2C(C)(C)C)c(C#N)c1C ZINC000331117224 1043110164 /nfs/dbraw/zinc/11/01/64/1043110164.db2.gz FAYKNJUBHUDHNB-UHFFFAOYSA-N -1 3 320.443 4.022 20 30 DIEDHM C[C@H](NC1(c2ccccc2Cl)CC1)c1cccc(C#N)c1[O-] ZINC000866381568 1043195550 /nfs/dbraw/zinc/19/55/50/1043195550.db2.gz RLLOEZCAHQGNLW-LBPRGKRZSA-N -1 3 312.800 4.257 20 30 DIEDHM CSc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1F ZINC000794942876 1043242002 /nfs/dbraw/zinc/24/20/02/1043242002.db2.gz RMFBLVKLKBOIQK-HWKANZROSA-N -1 3 324.323 4.428 20 30 DIEDHM O=C1c2cc(Cl)ccc2C/C1=C\c1c(F)ccc([O-])c1F ZINC000794944341 1043242546 /nfs/dbraw/zinc/24/25/46/1043242546.db2.gz AIYQSYHUGBSNMR-RMKNXTFCSA-N -1 3 306.695 4.146 20 30 DIEDHM N#CC[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000356524680 1043844824 /nfs/dbraw/zinc/84/48/24/1043844824.db2.gz AZFILBQCLKZXIK-CYBMUJFWSA-N -1 3 314.772 4.072 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/CCOc1ccc(Cl)cc1 ZINC000005402270 1044072491 /nfs/dbraw/zinc/07/24/91/1044072491.db2.gz ICFLZYCMRXOMMG-VCHYOVAHSA-N -1 3 310.180 4.197 20 30 DIEDHM CC(=NNc1ccccc1C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000728427112 1044309542 /nfs/dbraw/zinc/30/95/42/1044309542.db2.gz IXSLJMFFAFZSHJ-UHFFFAOYSA-N -1 3 312.266 4.386 20 30 DIEDHM Cc1ccc(F)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362132620 1044481036 /nfs/dbraw/zinc/48/10/36/1044481036.db2.gz CEWZEUVTIWQKLR-CYBMUJFWSA-N -1 3 322.261 4.038 20 30 DIEDHM COc1cc(C(=O)/C=C/c2cnc(C(C)(C)C)s2)ccc1[O-] ZINC000078161991 1044707680 /nfs/dbraw/zinc/70/76/80/1044707680.db2.gz BZKXPODENKMRDL-SOFGYWHQSA-N -1 3 317.410 4.051 20 30 DIEDHM CCOc1cc(CNc2cc(F)cc(C#N)c2)cc(Cl)c1[O-] ZINC000600862379 1045154782 /nfs/dbraw/zinc/15/47/82/1045154782.db2.gz VXQDWYLWEVLQKW-UHFFFAOYSA-N -1 3 320.751 4.067 20 30 DIEDHM O=C([C@H]1CCCCC1(F)F)N([O-])Cc1cccc2ccccc21 ZINC000900091656 1045602997 /nfs/dbraw/zinc/60/29/97/1045602997.db2.gz GRKGLDUYCZPOGV-MRXNPFEDSA-N -1 3 319.351 4.383 20 30 DIEDHM O=C([C@@H]1CCCCC1(F)F)N([O-])Cc1cccc2ccccc21 ZINC000900091655 1045603109 /nfs/dbraw/zinc/60/31/09/1045603109.db2.gz GRKGLDUYCZPOGV-INIZCTEOSA-N -1 3 319.351 4.383 20 30 DIEDHM O=C(c1ccc(F)c2ccccc12)N([O-])Cc1ccc(F)cc1 ZINC000900094923 1045604168 /nfs/dbraw/zinc/60/41/68/1045604168.db2.gz UJYBYBDDYPEJNS-UHFFFAOYSA-N -1 3 313.303 4.150 20 30 DIEDHM CCOc1cc(/C=C\C(=O)c2ccc(CC)o2)cc(Cl)c1[O-] ZINC000752238228 1045668129 /nfs/dbraw/zinc/66/81/29/1045668129.db2.gz PUHIIZJXAAKEKW-ALCCZGGFSA-N -1 3 320.772 4.496 20 30 DIEDHM O=C(CSc1ccccc1)N([O-])Cc1cccc2ccccc21 ZINC000901367908 1045709234 /nfs/dbraw/zinc/70/92/34/1045709234.db2.gz OALOANDOUKLULN-UHFFFAOYSA-N -1 3 323.417 4.350 20 30 DIEDHM COc1cccc(C(=O)N([O-])Cc2cccc3ccccc32)c1C ZINC000901370455 1045709677 /nfs/dbraw/zinc/70/96/77/1045709677.db2.gz HZHRWJLPZFADQV-UHFFFAOYSA-N -1 3 321.376 4.188 20 30 DIEDHM Cc1c(F)cccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370405 1045709701 /nfs/dbraw/zinc/70/97/01/1045709701.db2.gz GVQNQHLINMQPBF-UHFFFAOYSA-N -1 3 309.340 4.319 20 30 DIEDHM C[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccc(F)cc1F ZINC000901372295 1045712585 /nfs/dbraw/zinc/71/25/85/1045712585.db2.gz BTSRVZZEIZSADB-LLVKDONJSA-N -1 3 323.314 4.016 20 30 DIEDHM C[C@H](Cc1cccc(Cl)c1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371428 1045712650 /nfs/dbraw/zinc/71/26/50/1045712650.db2.gz BTQYDFVHBDLVSM-GFCCVEGCSA-N -1 3 321.779 4.076 20 30 DIEDHM O=C(CCc1ccc(F)cc1)N([O-])Cc1cccc2ccccc21 ZINC000901370617 1045713332 /nfs/dbraw/zinc/71/33/32/1045713332.db2.gz LDGWZNSQZGNMAY-UHFFFAOYSA-N -1 3 323.367 4.330 20 30 DIEDHM Cc1ccc(CCC(=O)N([O-])Cc2ccc(F)cc2)cc1Cl ZINC000901375829 1045714352 /nfs/dbraw/zinc/71/43/52/1045714352.db2.gz LLTMTSQUIQMOAK-UHFFFAOYSA-N -1 3 321.779 4.138 20 30 DIEDHM Cc1c2cccc(F)c2oc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375183 1045715287 /nfs/dbraw/zinc/71/52/87/1045715287.db2.gz FQIDVUAYFZRZMY-UHFFFAOYSA-N -1 3 317.291 4.051 20 30 DIEDHM O=C(CCc1cccc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901376627 1045715624 /nfs/dbraw/zinc/71/56/24/1045715624.db2.gz WMMKUGMSZQVGEA-UHFFFAOYSA-N -1 3 323.367 4.330 20 30 DIEDHM CC(C)(CCC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901374945 1045715742 /nfs/dbraw/zinc/71/57/42/1045715742.db2.gz XRPHVFYSKYAGNG-UHFFFAOYSA-N -1 3 315.388 4.302 20 30 DIEDHM C=CCC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCC1 ZINC000901378195 1045715791 /nfs/dbraw/zinc/71/57/91/1045715791.db2.gz IVUWTKUBNVQHCP-UHFFFAOYSA-N -1 3 314.212 4.458 20 30 DIEDHM CC[C@@H](C)[C@H](C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378258 1045715950 /nfs/dbraw/zinc/71/59/50/1045715950.db2.gz JPXNXKBFBVYMGQ-ZJUUUORDSA-N -1 3 304.217 4.393 20 30 DIEDHM C[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C(C)(C)C ZINC000901380071 1045717166 /nfs/dbraw/zinc/71/71/66/1045717166.db2.gz LZXZVYDMSKUXPU-VIFPVBQESA-N -1 3 304.217 4.393 20 30 DIEDHM O=C(c1ccc(Cl)cc1Cl)N([O-])Cc1ccc(F)cc1 ZINC000901379132 1045718297 /nfs/dbraw/zinc/71/82/97/1045718297.db2.gz QKOKFTWPGLQDIB-UHFFFAOYSA-N -1 3 314.143 4.164 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\C1CCN(c2cccs2)CC1 ZINC000755032079 1045946732 /nfs/dbraw/zinc/94/67/32/1045946732.db2.gz RDAXFCPAQDWZNO-WQRHYEAKSA-N -1 3 320.845 4.195 20 30 DIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)cc2C)n1 ZINC000453590526 1046095924 /nfs/dbraw/zinc/09/59/24/1046095924.db2.gz OWPSQTLLGXMCNJ-GFCCVEGCSA-N -1 3 324.327 4.269 20 30 DIEDHM C=CCn1c(S[C@@H](C)c2cccc3ccccc32)n[n-]c1=O ZINC000532103950 1046097914 /nfs/dbraw/zinc/09/79/14/1046097914.db2.gz ICXGSKKVLOYYRY-LBPRGKRZSA-N -1 3 311.410 4.176 20 30 DIEDHM COc1cc(F)cc(NN=C(C)c2cc(Cl)ccc2[O-])c1 ZINC000759210436 1046336172 /nfs/dbraw/zinc/33/61/72/1046336172.db2.gz PXWUWMPARCVPCU-UHFFFAOYSA-N -1 3 308.740 4.029 20 30 DIEDHM CC(=[NH+][N-]c1ccc(C)cc1)c1ccc(N2CCCC2)cc1[O-] ZINC000748246845 1046359150 /nfs/dbraw/zinc/35/91/50/1046359150.db2.gz QBQGBAXZYCCXLG-UHFFFAOYSA-N -1 3 309.413 4.137 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1scnc1C1CC1 ZINC000782322740 1046518712 /nfs/dbraw/zinc/51/87/12/1046518712.db2.gz IRVXYSCODCMOQH-QMEHYBMDSA-N -1 3 315.369 4.249 20 30 DIEDHM N#CC(=C([O-])C1=C(c2ccccc2)CCCC1)c1ccccn1 ZINC000835059522 1046750984 /nfs/dbraw/zinc/75/09/84/1046750984.db2.gz BKYMFBKLWVRZMV-SFHVURJKSA-N -1 3 302.377 4.286 20 30 DIEDHM N#Cc1ccc(-c2ccccc2Nc2ccc([O-])c(F)c2F)nc1 ZINC001212016249 1046824743 /nfs/dbraw/zinc/82/47/43/1046824743.db2.gz GLRUYNMPKLHYEP-UHFFFAOYSA-N -1 3 323.302 4.348 20 30 DIEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CCC(F)(F)C1 ZINC000797397368 1046830508 /nfs/dbraw/zinc/83/05/08/1046830508.db2.gz BUPXSWKSKJFFHO-YFEDRJBBSA-N -1 3 318.161 4.009 20 30 DIEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000839065236 1047191680 /nfs/dbraw/zinc/19/16/80/1047191680.db2.gz ZMNYYOVNCZORJF-PSASIEDQSA-N -1 3 308.790 4.122 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccc(OC(F)F)cc1 ZINC000839388501 1047222964 /nfs/dbraw/zinc/22/29/64/1047222964.db2.gz XOLQKGXAUGKVCT-DJKKODMXSA-N -1 3 311.715 4.266 20 30 DIEDHM CCN(Cc1cc2oc3ccccc3c2cc1[O-])C[C@@H](C)C#N ZINC000726963328 1047395680 /nfs/dbraw/zinc/39/56/80/1047395680.db2.gz BPWYGNVDIMEJAC-ZDUSSCGKSA-N -1 3 308.381 4.273 20 30 DIEDHM N#CC(=C([O-])c1cc2ccccc2s1)c1nc2ccccc2[nH]1 ZINC000041496220 1047747202 /nfs/dbraw/zinc/74/72/02/1047747202.db2.gz JYBKXMQHEIHNKS-LBPRGKRZSA-N -1 3 317.373 4.268 20 30 DIEDHM N#CC(=C([O-])c1ccc2c(c1)CCC2)c1nc2ccccc2s1 ZINC000041503533 1047749131 /nfs/dbraw/zinc/74/91/31/1047749131.db2.gz HJUNWYRGLIKXLU-OAHLLOKOSA-N -1 3 318.401 4.275 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2c(C3CC3)nc3sccn23)ccc1[O-] ZINC000774556407 1047855711 /nfs/dbraw/zinc/85/57/11/1047855711.db2.gz UJLLTDHZDPCIQU-FNORWQNLSA-N -1 3 324.405 4.183 20 30 DIEDHM COc1ccc(C(F)(F)F)cc1Nc1cc(C#N)ccc1[O-] ZINC001174779041 1047970130 /nfs/dbraw/zinc/97/01/30/1047970130.db2.gz SPHLLPOXSVSHRZ-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2ccc(Oc3cccnc3)cc2)c1 ZINC001174850624 1047998706 /nfs/dbraw/zinc/99/87/06/1047998706.db2.gz BPLIBDCEMJTPKK-UHFFFAOYSA-N -1 3 303.321 4.195 20 30 DIEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC001160225691 1048002885 /nfs/dbraw/zinc/00/28/85/1048002885.db2.gz LIHMCOKWPSUOAM-SFHVURJKSA-N -1 3 322.408 4.073 20 30 DIEDHM CCCCN([O-])C(=O)c1csc(-c2ccccc2Cl)n1 ZINC001184314849 1048022241 /nfs/dbraw/zinc/02/22/41/1048022241.db2.gz NJCHMOFTDQHNHZ-UHFFFAOYSA-N -1 3 310.806 4.095 20 30 DIEDHM CCCCCCN([O-])C(=O)c1ncoc1-c1ccc(C)cc1 ZINC001184305764 1048022923 /nfs/dbraw/zinc/02/29/23/1048022923.db2.gz PQTCRMYTNOUEHW-UHFFFAOYSA-N -1 3 302.374 4.062 20 30 DIEDHM CCC[C@@H]1CCC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293197 1048027753 /nfs/dbraw/zinc/02/77/53/1048027753.db2.gz JGIXHQKCOAAOPC-QZTJIDSGSA-N -1 3 303.446 4.444 20 30 DIEDHM C[C@H](CC(=O)N([O-])CCCCc1ccccc1)c1ccco1 ZINC001184293399 1048029177 /nfs/dbraw/zinc/02/91/77/1048029177.db2.gz QWSFAIQLSBUOFY-OAHLLOKOSA-N -1 3 301.386 4.014 20 30 DIEDHM COc1cc(C)ccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001184339948 1048030924 /nfs/dbraw/zinc/03/09/24/1048030924.db2.gz ILAKLONDYQVTOO-UHFFFAOYSA-N -1 3 321.376 4.188 20 30 DIEDHM C[C@]12C[C@@H]3C[C@](C(=O)Nc4ccc([O-])c(C#N)c4)(C1)C[C@@](C)(C3)C2 ZINC001184499592 1048052071 /nfs/dbraw/zinc/05/20/71/1048052071.db2.gz ZQEIISXQPAEDNW-FCZGVQRQSA-N -1 3 324.424 4.199 20 30 DIEDHM CC(C)C[C@@H]1C[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161785148 1048171760 /nfs/dbraw/zinc/17/17/60/1048171760.db2.gz QUDGSFISQNYYQR-BXUZGUMPSA-N -1 3 316.228 4.393 20 30 DIEDHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001161807894 1048174721 /nfs/dbraw/zinc/17/47/21/1048174721.db2.gz QPJJAMIJPYLFEI-JKSUJKDBSA-N -1 3 315.800 4.170 20 30 DIEDHM N#Cc1sc(-c2ccc(F)cc2)cc1Nc1cncc([O-])c1 ZINC001201627960 1048337888 /nfs/dbraw/zinc/33/78/88/1048337888.db2.gz FAIIMGKYZPZKHI-UHFFFAOYSA-N -1 3 311.341 4.270 20 30 DIEDHM CCCCCCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001188289745 1048493324 /nfs/dbraw/zinc/49/33/24/1048493324.db2.gz KXLRQUXYMSQBAW-UHFFFAOYSA-N -1 3 321.845 4.118 20 30 DIEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1cc(Cl)ccc1Cl ZINC001188997277 1048579120 /nfs/dbraw/zinc/57/91/20/1048579120.db2.gz RPGGLEMMMITOJA-UHFFFAOYSA-N -1 3 322.151 4.215 20 30 DIEDHM COc1cc(/C=C2\Cc3ccc(C)cc3C2=O)cc(Cl)c1[O-] ZINC000108145243 1048599413 /nfs/dbraw/zinc/59/94/13/1048599413.db2.gz OYONSOGWEYOTJX-AWNIVKPZSA-N -1 3 314.768 4.185 20 30 DIEDHM CCCCCc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001189194971 1048600088 /nfs/dbraw/zinc/60/00/88/1048600088.db2.gz KZVVTGSUSAGOLY-UHFFFAOYSA-N -1 3 308.381 4.249 20 30 DIEDHM C=C[C@@H](C)O[N-]C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC001164413718 1048628745 /nfs/dbraw/zinc/62/87/45/1048628745.db2.gz HQYFLOMZGHIGQS-QGZVFWFLSA-N -1 3 323.436 4.100 20 30 DIEDHM N#CCCCCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180399 1048995443 /nfs/dbraw/zinc/99/54/43/1048995443.db2.gz LGCMAFGLACLDDH-UHFFFAOYSA-N -1 3 315.200 4.185 20 30 DIEDHM CC1(C)CCc2sc([N-]C(=O)c3sccc3F)c(C#N)c21 ZINC000906264039 1049321976 /nfs/dbraw/zinc/32/19/76/1049321976.db2.gz DJMCUVNHVXRNAU-UHFFFAOYSA-N -1 3 320.414 4.296 20 30 DIEDHM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001180902577 1049415236 /nfs/dbraw/zinc/41/52/36/1049415236.db2.gz JBYHEBZHLJUWHL-AWEZNQCLSA-N -1 3 322.408 4.205 20 30 DIEDHM CO[C@H](c1ccccc1F)[C@@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000775631625 1049471058 /nfs/dbraw/zinc/47/10/58/1049471058.db2.gz SSLHVZFGLXJCFB-PVXMUIKYSA-N -1 3 321.779 4.380 20 30 DIEDHM CCOC1CCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863124825 1049535289 /nfs/dbraw/zinc/53/52/89/1049535289.db2.gz FHLFRJZAJRLZQJ-UHFFFAOYSA-N -1 3 316.430 4.039 20 30 DIEDHM N#Cc1ccccc1NC(=S)Nc1cc2ccccc2cc1[O-] ZINC001196320186 1049640113 /nfs/dbraw/zinc/64/01/13/1049640113.db2.gz KOGYSKVOUTWZNA-UHFFFAOYSA-N -1 3 319.389 4.226 20 30 DIEDHM COc1cc(C(=O)/C=C/C=C\c2ccc(F)c(F)c2)ccc1[O-] ZINC000794696149 1049673232 /nfs/dbraw/zinc/67/32/32/1049673232.db2.gz SOROFBIZYYBSTL-VOERYJCWSA-N -1 3 316.303 4.131 20 30 DIEDHM COc1cc(C(=O)/C=C/C=C/c2ccc(F)c(F)c2)ccc1[O-] ZINC000794696156 1049673392 /nfs/dbraw/zinc/67/33/92/1049673392.db2.gz SOROFBIZYYBSTL-ZUVMSYQZSA-N -1 3 316.303 4.131 20 30 DIEDHM N#Cc1ccc(-c2csc(Nc3ccc(F)cc3[O-])n2)s1 ZINC001210016347 1050122508 /nfs/dbraw/zinc/12/25/08/1050122508.db2.gz HSYSJRAGANRPJY-UHFFFAOYSA-N -1 3 317.370 4.332 20 30 DIEDHM N#Cc1ccc([O-])c(NC=Cc2ccccc2C(F)(F)F)c1 ZINC001210430159 1050242355 /nfs/dbraw/zinc/24/23/55/1050242355.db2.gz XXZZXITUXHUDMB-BQYQJAHWSA-N -1 3 304.271 4.365 20 30 DIEDHM Cc1ccc(C#N)cc1Nc1ccc([O-])c(Br)c1 ZINC001210500931 1050270125 /nfs/dbraw/zinc/27/01/25/1050270125.db2.gz GVZRWLISIIWCBX-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM N#Cc1cc(Nc2cccc(OC(F)(F)F)c2F)ccc1[O-] ZINC001210533119 1050284734 /nfs/dbraw/zinc/28/47/34/1050284734.db2.gz VQGLQHLMTWGNAK-UHFFFAOYSA-N -1 3 312.222 4.045 20 30 DIEDHM Cc1ccc(Nc2ccc([O-])c(Br)c2)c(C#N)c1 ZINC001210567118 1050298356 /nfs/dbraw/zinc/29/83/56/1050298356.db2.gz YXRQUHBTMXMGOM-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000734752605 1050307625 /nfs/dbraw/zinc/30/76/25/1050307625.db2.gz HRVKSGAHTSZXSY-DZDJVXKBSA-N -1 3 307.727 4.299 20 30 DIEDHM COc1cc(C(=O)/C=C/c2ccc(OC(C)C)cc2)ccc1[O-] ZINC000059269865 1050552967 /nfs/dbraw/zinc/55/29/67/1050552967.db2.gz SEEBTFOTMPKOFY-UXBLZVDNSA-N -1 3 312.365 4.084 20 30 DIEDHM C=CCC[C@H]([N-]C(=O)C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000787469438 1050607678 /nfs/dbraw/zinc/60/76/78/1050607678.db2.gz WGAVUIAKAOHXTC-NSHDSACASA-N -1 3 307.262 4.094 20 30 DIEDHM C#Cc1cccc(NCc2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000788853140 1050761710 /nfs/dbraw/zinc/76/17/10/1050761710.db2.gz IHNQMFMHKZCQSR-UHFFFAOYSA-N -1 3 301.773 4.038 20 30 DIEDHM CC(C)c1ccc([C@H](C)CC(=O)[N-]Oc2cccc(C#N)c2)cc1 ZINC001171255338 1050770412 /nfs/dbraw/zinc/77/04/12/1050770412.db2.gz GXBVHFMNXGIPDU-OAHLLOKOSA-N -1 3 322.408 4.285 20 30 DIEDHM N#Cc1ccc(Br)c(Nc2ccc(Cl)cc2[O-])c1 ZINC001214413873 1050895935 /nfs/dbraw/zinc/89/59/35/1050895935.db2.gz QDBAUTKAMMNQFS-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM CC(C)(O)C#Cc1cccc(Nc2c(F)c([O-])ccc2Cl)c1 ZINC001214563785 1050945921 /nfs/dbraw/zinc/94/59/21/1050945921.db2.gz SKWMAYBJSBSZDJ-UHFFFAOYSA-N -1 3 319.763 4.051 20 30 DIEDHM CCO[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])C12CCCC2 ZINC000743044013 1050978690 /nfs/dbraw/zinc/97/86/90/1050978690.db2.gz CMRPLMBQNHZMNN-QMBXGQNESA-N -1 3 307.821 4.202 20 30 DIEDHM CC(=NNc1ccc(Cl)nc1)c1ccc2ccccc2c1[O-] ZINC000743450825 1051030342 /nfs/dbraw/zinc/03/03/42/1051030342.db2.gz RDWWMXDMAJNYRZ-UHFFFAOYSA-N -1 3 311.772 4.430 20 30 DIEDHM N#Cc1cnoc1[N-]c1cc(Cl)cc(C(F)(F)F)c1F ZINC001215813511 1051386253 /nfs/dbraw/zinc/38/62/53/1051386253.db2.gz CDLUXUHLDUOOAF-UHFFFAOYSA-N -1 3 305.618 4.101 20 30 DIEDHM N#Cc1cc(Nc2c([O-])cccc2Cl)ccc1Br ZINC001215987069 1051503375 /nfs/dbraw/zinc/50/33/75/1051503375.db2.gz DBFXOJKBXHMTES-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM Cc1cc(Nc2cc(C#N)ccc2C(F)(F)F)cc([O-])c1F ZINC001216083193 1051568738 /nfs/dbraw/zinc/56/87/38/1051568738.db2.gz OQZYVESPLDOUHN-UHFFFAOYSA-N -1 3 310.250 4.474 20 30 DIEDHM Cc1c(C#N)cccc1Nc1c([O-])cccc1Br ZINC001216177337 1051613040 /nfs/dbraw/zinc/61/30/40/1051613040.db2.gz JGUOKZSMZTZCLW-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM Cc1nn(C(C)(C)C)cc1[C@@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000767339150 1051787842 /nfs/dbraw/zinc/78/78/42/1051787842.db2.gz UPNGNVAFFOFRAS-YXZFXQPTSA-N -1 3 319.836 4.486 20 30 DIEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCCC(F)(F)C1 ZINC000767692286 1051839832 /nfs/dbraw/zinc/83/98/32/1051839832.db2.gz VSOZTFVHBJAHGO-SXGUVYOMSA-N -1 3 318.161 4.152 20 30 DIEDHM COCc1cccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)c1 ZINC000742432291 1051863273 /nfs/dbraw/zinc/86/32/73/1051863273.db2.gz VCLPPUDGUIVGLS-ZECSTPGPSA-N -1 3 312.340 4.061 20 30 DIEDHM C=CCN(Cc1cccc(C#N)c1)Cc1c([O-])cccc1Cl ZINC000769104530 1052001870 /nfs/dbraw/zinc/00/18/70/1052001870.db2.gz IUWRRBRCRGMZIF-UHFFFAOYSA-N -1 3 312.800 4.105 20 30 DIEDHM CC(=O)Nc1cccc([C@@H](C)/N=C\c2cc(Cl)ccc2[O-])c1 ZINC000914556986 1052160589 /nfs/dbraw/zinc/16/05/89/1052160589.db2.gz KLBRHRNYFBKIIV-XEQXHXIFSA-N -1 3 316.788 4.184 20 30 DIEDHM Cc1ccsc1C/N=C/c1cc(Br)ccc1[O-] ZINC000914558038 1052161971 /nfs/dbraw/zinc/16/19/71/1052161971.db2.gz PWWSJASSHQGLQQ-VIZOYTHASA-N -1 3 310.216 4.144 20 30 DIEDHM Cc1nc(-c2ccccc2)c(C([O-])=C(C#N)c2ccccn2)s1 ZINC000193252751 1052281461 /nfs/dbraw/zinc/28/14/61/1052281461.db2.gz NEVKXNBYSXBXPF-AWEZNQCLSA-N -1 3 319.389 4.004 20 30 DIEDHM [O-]c1c(O)ccc(C=Nc2ccc3c(c2)oc2ccccc23)c1O ZINC000915271271 1052379850 /nfs/dbraw/zinc/37/98/50/1052379850.db2.gz QPUQEIHEUSPCMA-UHFFFAOYSA-N -1 3 319.316 4.453 20 30 DIEDHM CCC(=NNc1ccccc1)c1cc(Br)ccc1[O-] ZINC000916591957 1052617228 /nfs/dbraw/zinc/61/72/28/1052617228.db2.gz YWMLZCILIIPPOR-UHFFFAOYSA-N -1 3 319.202 4.381 20 30 DIEDHM CC[C@@H](O/C(=N\[O-])c1ccccc1Br)C(C)C ZINC001223885951 1052647995 /nfs/dbraw/zinc/64/79/95/1052647995.db2.gz TTZXCWGMZSALTF-GMXMXKFQSA-N -1 3 300.196 4.036 20 30 DIEDHM C=CC[C@@H](O/C(=N\[O-])c1ccccn1)c1ccc(Cl)cc1 ZINC001223975754 1052657518 /nfs/dbraw/zinc/65/75/18/1052657518.db2.gz FJKYIYPBAFSEEP-YGMPWRRSSA-N -1 3 302.761 4.205 20 30 DIEDHM COCCOc1ccc(N=Cc2cc(Cl)ccc2[O-])c(C)c1 ZINC000917559254 1052736764 /nfs/dbraw/zinc/73/67/64/1052736764.db2.gz IRXMYJXNHNHNNW-UHFFFAOYSA-N -1 3 319.788 4.130 20 30 DIEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2cc(Cl)ccc2C)[n-]1 ZINC001225469495 1052792614 /nfs/dbraw/zinc/79/26/14/1052792614.db2.gz LEXUMWAABZSMJZ-LLVKDONJSA-N -1 3 302.761 4.069 20 30 DIEDHM CC(C)(C)c1noc([N-]c2ccnc(Cl)c2Cl)c1C#N ZINC001212234441 1052812601 /nfs/dbraw/zinc/81/26/01/1052812601.db2.gz BULKSKKFUMOYAO-UHFFFAOYSA-N -1 3 311.172 4.289 20 30 DIEDHM C=CCOc1ccccc1[C@H](C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225993330 1052856916 /nfs/dbraw/zinc/85/69/16/1052856916.db2.gz GUWFXLLDMUGVBH-AWEZNQCLSA-N -1 3 312.365 4.300 20 30 DIEDHM C=CC[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1 ZINC001226596179 1052914483 /nfs/dbraw/zinc/91/44/83/1052914483.db2.gz KAURRYMFLMWBGL-INIZCTEOSA-N -1 3 308.333 4.195 20 30 DIEDHM C=C[C@H](Oc1nc2cc(C(=O)OCC)ccc2[n-]1)c1ccccc1 ZINC001227706416 1053009570 /nfs/dbraw/zinc/00/95/70/1053009570.db2.gz IMEVHPNHJYORPS-KRWDZBQOSA-N -1 3 322.364 4.046 20 30 DIEDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](C#N)c1ccccc1 ZINC001228133971 1053046380 /nfs/dbraw/zinc/04/63/80/1053046380.db2.gz KTUSJTDEZQPIMC-SFHVURJKSA-N -1 3 309.365 4.191 20 30 DIEDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)CC(C)(C)S ZINC001228135439 1053046583 /nfs/dbraw/zinc/04/65/83/1053046583.db2.gz CHRUWNVCJMHBGG-NSHDSACASA-N -1 3 310.459 4.413 20 30 DIEDHM CC#CC[C@@H](CC)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228155375 1053048498 /nfs/dbraw/zinc/04/84/98/1053048498.db2.gz SWGGHSBRHGKGGC-QGZVFWFLSA-N -1 3 308.377 4.194 20 30 DIEDHM C=C[C@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)c1ccccc1 ZINC001228678193 1053157610 /nfs/dbraw/zinc/15/76/10/1053157610.db2.gz VDKRTVQBAJCRSW-INIZCTEOSA-N -1 3 309.325 4.086 20 30 DIEDHM C[C@H](CC(C)(C)S)Oc1cccc([O-])c1Br ZINC001229143910 1053257878 /nfs/dbraw/zinc/25/78/78/1053257878.db2.gz YJPJJXPMSJQOEN-MRVPVSSYSA-N -1 3 305.237 4.021 20 30 DIEDHM C#CC[C@@H](CC)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229538808 1053347465 /nfs/dbraw/zinc/34/74/65/1053347465.db2.gz TZOPTXZZCGXLDH-QGZVFWFLSA-N -1 3 308.377 4.112 20 30 DIEDHM O=C1CCC(Oc2ccccc2/C=N/c2ccccc2[O-])CC1 ZINC001229934222 1053434465 /nfs/dbraw/zinc/43/44/65/1053434465.db2.gz WKWRCOFEHCZPIM-DEDYPNTBSA-N -1 3 309.365 4.033 20 30 DIEDHM [O-]c1ccccc1/N=C/c1ccccc1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001229932325 1053435294 /nfs/dbraw/zinc/43/52/94/1053435294.db2.gz CJMPWHUUKYDAOV-ZSCXCBMVSA-N -1 3 305.377 4.486 20 30 DIEDHM C=C[C@H](C)O[N-]C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001300210573 1053488391 /nfs/dbraw/zinc/48/83/91/1053488391.db2.gz IPWCNXQJNMUMHT-NSHDSACASA-N -1 3 316.228 4.329 20 30 DIEDHM C[C@@H]1CC[C@H](C(=O)N([O-])CCCCc2ccccc2)C[C@@H]1C ZINC001472619301 1053840761 /nfs/dbraw/zinc/84/07/61/1053840761.db2.gz GQMGCJSHRUQNBK-RYRKJORJSA-N -1 3 303.446 4.299 20 30 DIEDHM O=C([C@@H]1CCC[C@@H](F)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001332031085 1054105611 /nfs/dbraw/zinc/10/56/11/1054105611.db2.gz VCUSCVDFBAJCLR-ZWNOBZJWSA-N -1 3 320.191 4.240 20 30 DIEDHM N#CCCN(Cc1cccc([O-])c1F)C1CCCCCCC1 ZINC001233052808 1054177861 /nfs/dbraw/zinc/17/78/61/1054177861.db2.gz WXYDRGCDAFQNDH-UHFFFAOYSA-N -1 3 304.409 4.360 20 30 DIEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1ncccc1F ZINC001355950437 1054251806 /nfs/dbraw/zinc/25/18/06/1054251806.db2.gz SUMDRKJBSXYXBD-UHFFFAOYSA-N -1 3 323.352 4.073 20 30 DIEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCc2c1cc(F)cc2F ZINC001233531292 1054290063 /nfs/dbraw/zinc/29/00/63/1054290063.db2.gz QXPJBOJYCXDEJQ-GOSISDBHSA-N -1 3 313.303 4.127 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1Cc2cccc3cccc1c23 ZINC001233798826 1054361164 /nfs/dbraw/zinc/36/11/64/1054361164.db2.gz AHSIWLHGGVMJBC-IUOVYFEOSA-N -1 3 319.360 4.333 20 30 DIEDHM CCCCC(=O)[C@H](CCCC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233801505 1054361528 /nfs/dbraw/zinc/36/15/28/1054361528.db2.gz ASRDYJSIEZQZCJ-HUCUOGIVSA-N -1 3 321.417 4.200 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1csc(Cl)c1 ZINC001233804399 1054363576 /nfs/dbraw/zinc/36/35/76/1054363576.db2.gz ZEPAYUZNUVYBEO-UHDDOIDHSA-N -1 3 311.790 4.358 20 30 DIEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC001234142890 1054438799 /nfs/dbraw/zinc/43/87/99/1054438799.db2.gz YCDPKLWUCVDNSV-JTQLQIEISA-N -1 3 307.271 4.423 20 30 DIEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1c(Cl)cncc1Cl ZINC001234144395 1054439194 /nfs/dbraw/zinc/43/91/94/1054439194.db2.gz NDYXQWNKXKTKNW-MRVPVSSYSA-N -1 3 309.152 4.106 20 30 DIEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1cc(-c2ccccc2)no1 ZINC001234143164 1054439258 /nfs/dbraw/zinc/43/92/58/1054439258.db2.gz ACRZPRLTFAFEAG-GFCCVEGCSA-N -1 3 306.321 4.059 20 30 DIEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC001234143861 1054439938 /nfs/dbraw/zinc/43/99/38/1054439938.db2.gz GYIFYMUXJJJQLR-JTQLQIEISA-N -1 3 323.270 4.302 20 30 DIEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2c(Cl)ccc([O-])c2F)O1 ZINC001234263928 1054479294 /nfs/dbraw/zinc/47/92/94/1054479294.db2.gz KPTRISBPGWCHPJ-LRDDRELGSA-N -1 3 314.784 4.466 20 30 DIEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2c(Cl)ccc([O-])c2F)O1 ZINC001234263932 1054480158 /nfs/dbraw/zinc/48/01/58/1054480158.db2.gz KPTRISBPGWCHPJ-WBMJQRKESA-N -1 3 314.784 4.466 20 30 DIEDHM C=C[C@H](C)Oc1c(-c2ccccc2[O-])oc2ccccc2c1=O ZINC001234379853 1054513470 /nfs/dbraw/zinc/51/34/70/1054513470.db2.gz JFSNVDDKNJAYAP-LBPRGKRZSA-N -1 3 308.333 4.119 20 30 DIEDHM C=CC(C=C)Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234379997 1054513731 /nfs/dbraw/zinc/51/37/31/1054513731.db2.gz NUCVSYWGJVADDV-UHFFFAOYSA-N -1 3 320.344 4.285 20 30 DIEDHM C=C(C)C[C@@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)C(=C)C ZINC001234792681 1054593280 /nfs/dbraw/zinc/59/32/80/1054593280.db2.gz GDLFEOOBTMCZJH-OAHLLOKOSA-N -1 3 304.386 4.202 20 30 DIEDHM C=C[C@H](C)O[N-]C(=O)/C(C)=C\c1c(Cl)cccc1Cl ZINC001452731674 1054714131 /nfs/dbraw/zinc/71/41/31/1054714131.db2.gz ALVPBVHPFQRVAC-QROTZFDESA-N -1 3 300.185 4.019 20 30 DIEDHM C=CC[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001453967348 1054753530 /nfs/dbraw/zinc/75/35/30/1054753530.db2.gz SBXTWGOEHQPXEM-KRWDZBQOSA-N -1 3 321.420 4.021 20 30 DIEDHM CN(C)c1nc2cc(N=Cc3cc(Cl)ccc3[O-])ccc2o1 ZINC000764413364 1055181881 /nfs/dbraw/zinc/18/18/81/1055181881.db2.gz JIWHYTFWOPJURO-UHFFFAOYSA-N -1 3 315.760 4.003 20 30 DIEDHM N#CCCN(Cc1ccc(F)c([O-])c1)C1CCCCCCC1 ZINC001236706029 1055237570 /nfs/dbraw/zinc/23/75/70/1055237570.db2.gz REYGHTAAYNRWLE-UHFFFAOYSA-N -1 3 304.409 4.360 20 30 DIEDHM Cc1c2ccccc2oc1C(=O)N([O-])Cc1ccccc1Cl ZINC001649040405 1055602883 /nfs/dbraw/zinc/60/28/83/1055602883.db2.gz DAQHKDIYNZTEFA-UHFFFAOYSA-N -1 3 315.756 4.426 20 30 DIEDHM C=CCC1(C(=O)Nc2cc(Br)ccc2[O-])CCCC1 ZINC001567237326 1055796526 /nfs/dbraw/zinc/79/65/26/1055796526.db2.gz NBTSQWURDDGZER-UHFFFAOYSA-N -1 3 324.218 4.230 20 30 DIEDHM CCCCN([O-])C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC001649061710 1055826213 /nfs/dbraw/zinc/82/62/13/1055826213.db2.gz VJBAMUJVXXXUMQ-UHFFFAOYSA-N -1 3 304.415 4.058 20 30 DIEDHM O=C(c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1)C(F)(F)F ZINC001239391809 1055885538 /nfs/dbraw/zinc/88/55/38/1055885538.db2.gz JEMPIAPQZWIPKF-DNTJNYDQSA-N -1 3 311.234 4.046 20 30 DIEDHM CC(C)[C@]1(C)C[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001611642645 1056178282 /nfs/dbraw/zinc/17/82/82/1056178282.db2.gz YFXLYFXVNIQVOD-HIFRSBDPSA-N -1 3 316.228 4.393 20 30 DIEDHM CCCCN([O-])C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001611658077 1056179340 /nfs/dbraw/zinc/17/93/40/1056179340.db2.gz TYDDDASKTQPGGT-RYUDHWBXSA-N -1 3 302.201 4.115 20 30 DIEDHM O=C(C[C@H]1CCC(F)(F)C1)N([O-])Cc1cccc2ccccc21 ZINC001611662401 1056180258 /nfs/dbraw/zinc/18/02/58/1056180258.db2.gz GKXFZOUPFSEHQW-CYBMUJFWSA-N -1 3 319.351 4.383 20 30 DIEDHM N#Cc1cccc(Br)c1Sc1cccc([O-])c1 ZINC001612231057 1056259284 /nfs/dbraw/zinc/25/92/84/1056259284.db2.gz FKTDUAUIORKPHO-UHFFFAOYSA-N -1 3 306.184 4.178 20 30 DIEDHM CC1CCN(C(=O)c2ccc(-c3ccccc3C=N[O-])cc2)CC1 ZINC001240053129 1056288584 /nfs/dbraw/zinc/28/85/84/1056288584.db2.gz ZZYNRBKDYGLTER-UHFFFAOYSA-N -1 3 322.408 4.034 20 30 DIEDHM CC1CCN(C(=O)c2cccc(-c3cccc(/C=N/[O-])c3)c2)CC1 ZINC001240109151 1056331169 /nfs/dbraw/zinc/33/11/69/1056331169.db2.gz UHCZNQZBVBZSIG-KGENOOAVSA-N -1 3 322.408 4.034 20 30 DIEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001584397890 1056335575 /nfs/dbraw/zinc/33/55/75/1056335575.db2.gz KKGOWIBVHTVSTN-RHSMWYFYSA-N -1 3 301.430 4.380 20 30 DIEDHM O=C(c1ccccc1)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001240137003 1056348376 /nfs/dbraw/zinc/34/83/76/1056348376.db2.gz DGZNABJJKGEGBM-UHFFFAOYSA-N -1 3 301.345 4.393 20 30 DIEDHM [O-]/N=C/c1ccc(F)c(-c2ccc(Oc3cccnc3)cc2)c1 ZINC001240882756 1056739924 /nfs/dbraw/zinc/73/99/24/1056739924.db2.gz ANLVNDWLXWAXNH-SRZZPIQSSA-N -1 3 308.312 4.488 20 30 DIEDHM C=CCc1ccc(NC(=O)C(C)(C)C)c(-c2ccc(C)cc2[O-])n1 ZINC001241036557 1056836789 /nfs/dbraw/zinc/83/67/89/1056836789.db2.gz ZXOHPDUXNSFMCN-UHFFFAOYSA-N -1 3 324.424 4.476 20 30 DIEDHM Cc1ccccc1-c1nc(C([O-])=C(C#N)c2ccccn2)cs1 ZINC000067601498 1056947435 /nfs/dbraw/zinc/94/74/35/1056947435.db2.gz QZUUGVXFMMNRSR-AWEZNQCLSA-N -1 3 319.389 4.004 20 30 DIEDHM COc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)c(CC#N)c1 ZINC001242161962 1057284893 /nfs/dbraw/zinc/28/48/93/1057284893.db2.gz HIEYDRFCHWIIGO-UHFFFAOYSA-N -1 3 307.271 4.153 20 30 DIEDHM [O-]c1ccc(-c2ccc3c(c2)CC/C3=N/O)cc1C(F)(F)F ZINC001242165595 1057285858 /nfs/dbraw/zinc/28/58/58/1057285858.db2.gz FBJDCNXZONEIPY-ZHZULCJRSA-N -1 3 307.271 4.203 20 30 DIEDHM [O-]/N=C/c1ccc(-c2ccc(OCC(F)(F)F)cc2)cc1F ZINC001242719728 1057458323 /nfs/dbraw/zinc/45/83/23/1057458323.db2.gz FTLKRNNLLVZBMI-DNTJNYDQSA-N -1 3 313.250 4.242 20 30 DIEDHM N#Cc1cc2cc(-c3cc([O-])cc(C(F)(F)F)c3)ccc2[nH]1 ZINC001242782454 1057473834 /nfs/dbraw/zinc/47/38/34/1057473834.db2.gz QFTRGARNHYZYAA-UHFFFAOYSA-N -1 3 302.255 4.431 20 30 DIEDHM N#Cc1nccc2cc(-c3cc([O-])cc(C(F)(F)F)c3)ccc12 ZINC001242782879 1057474729 /nfs/dbraw/zinc/47/47/29/1057474729.db2.gz CRZUSQDLFJJURA-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM CC[C@H](/N=C\c1cc(Cl)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000727265742 1057645418 /nfs/dbraw/zinc/64/54/18/1057645418.db2.gz WQWMWROUUNPZAG-GJUHEBOISA-N -1 3 313.788 4.492 20 30 DIEDHM COc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1F ZINC000730590328 1057718025 /nfs/dbraw/zinc/71/80/25/1057718025.db2.gz MULLAQDGLCTNQI-MKVDPYIPSA-N -1 3 316.303 4.062 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(F)c(F)c1 ZINC000730590309 1057718367 /nfs/dbraw/zinc/71/83/67/1057718367.db2.gz MDAPSYZXMOPVFQ-QMEHYBMDSA-N -1 3 304.267 4.193 20 30 DIEDHM Cc1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc(C)c1O ZINC000730589278 1057718375 /nfs/dbraw/zinc/71/83/75/1057718375.db2.gz AJKLLIIKUPGZTI-ZWSXMNCCSA-N -1 3 312.340 4.237 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccc(F)c1F ZINC000730729141 1057721740 /nfs/dbraw/zinc/72/17/40/1057721740.db2.gz FEUDQWULVRRBIR-RYGSOJJJSA-N -1 3 304.267 4.193 20 30 DIEDHM N#Cc1cc2[nH]ccc2c(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001243612348 1057733781 /nfs/dbraw/zinc/73/37/81/1057733781.db2.gz YIGCZSXZCXACGR-UHFFFAOYSA-N -1 3 302.255 4.431 20 30 DIEDHM N#Cc1cc2c(cccc2-c2ccc(OC(F)(F)F)cc2[O-])[nH]1 ZINC001244465742 1057966678 /nfs/dbraw/zinc/96/66/78/1057966678.db2.gz KXOZGERRYPTLSK-UHFFFAOYSA-N -1 3 318.254 4.311 20 30 DIEDHM COc1c(F)cc(SC)cc1-c1ccc(/C(C)=N/[O-])cc1 ZINC001245229240 1058130522 /nfs/dbraw/zinc/13/05/22/1058130522.db2.gz OYWHCDGNGHJAIO-VCHYOVAHSA-N -1 3 305.374 4.421 20 30 DIEDHM COc1cc(OC)c(-c2ccc(/C(C)=N/[O-])cc2)cc1Cl ZINC001245726869 1058402597 /nfs/dbraw/zinc/40/25/97/1058402597.db2.gz BSOQXIXXZJVXOF-VCHYOVAHSA-N -1 3 305.761 4.222 20 30 DIEDHM CCSc1ccc(Cl)cc1[N-]C(=O)c1coc(C#N)c1 ZINC001528897393 1058545826 /nfs/dbraw/zinc/54/58/26/1058545826.db2.gz FLVDQSCSYJAEHQ-UHFFFAOYSA-N -1 3 306.774 4.169 20 30 DIEDHM C[C@H](Cc1ccccc1F)C(=O)N([O-])Cc1ccccc1Cl ZINC001559033415 1058939611 /nfs/dbraw/zinc/93/96/11/1058939611.db2.gz HUZHWCFJUHWEHI-GFCCVEGCSA-N -1 3 321.779 4.076 20 30 DIEDHM Cc1cccc([C@@H]2C[C@H]2C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001559033492 1058940266 /nfs/dbraw/zinc/94/02/66/1058940266.db2.gz KRSVAAZXKRCGQL-JKSUJKDBSA-N -1 3 315.800 4.170 20 30 DIEDHM CCSc1ccccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001559033287 1058940351 /nfs/dbraw/zinc/94/03/51/1058940351.db2.gz DIEHGBSJHGODMP-UHFFFAOYSA-N -1 3 321.829 4.484 20 30 DIEDHM CCCCCCN([O-])C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC001559034980 1058942932 /nfs/dbraw/zinc/94/29/32/1058942932.db2.gz XEPODLJXLGXZAZ-UHFFFAOYSA-N -1 3 305.349 4.497 20 30 DIEDHM C=CCC[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC001559037105 1058943092 /nfs/dbraw/zinc/94/30/92/1058943092.db2.gz JATCCMHUCXRPIK-SFHVURJKSA-N -1 3 313.372 4.294 20 30 DIEDHM Cc1cc(Cl)ccc1NC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001248419533 1059822211 /nfs/dbraw/zinc/82/22/11/1059822211.db2.gz YZNVDKQORUDOIL-UHFFFAOYSA-N -1 3 317.801 4.035 20 30 DIEDHM CC(C)COc1ncc(Nc2cc(C#N)ccc2[O-])cc1Cl ZINC001249780395 1060398074 /nfs/dbraw/zinc/39/80/74/1060398074.db2.gz WEXJWJNMYZWMIZ-UHFFFAOYSA-N -1 3 317.776 4.091 20 30 DIEDHM CCOc1nccc([N-]c2onc(C(C)(C)C)c2C#N)c1Cl ZINC001250244833 1060725448 /nfs/dbraw/zinc/72/54/48/1060725448.db2.gz HBJSVFPVVLDZLI-UHFFFAOYSA-N -1 3 320.780 4.034 20 30 DIEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001561412981 1060930842 /nfs/dbraw/zinc/93/08/42/1060930842.db2.gz ZTUNCTXKTRVAQW-SNVBAGLBSA-N -1 3 322.257 4.017 20 30 DIEDHM CC1(C)CCc2sc([N-]C(=O)c3ccc(Cl)o3)c(C#N)c21 ZINC001462936749 1061390328 /nfs/dbraw/zinc/39/03/28/1061390328.db2.gz VKXASRRWEYZHAL-UHFFFAOYSA-N -1 3 320.801 4.342 20 30 DIEDHM O=C([C@@H]1CCCC[C@@H]1C1CC1)N([O-])Cc1ccccc1Cl ZINC001457995675 1061535337 /nfs/dbraw/zinc/53/53/37/1061535337.db2.gz VOOWPTKGQRCPHV-HUUCEWRRSA-N -1 3 307.821 4.274 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1cccc2ccc(OC)cc21 ZINC001458008942 1061537306 /nfs/dbraw/zinc/53/73/06/1061537306.db2.gz BXSKHEGECDMDDI-UHFFFAOYSA-N -1 3 315.413 4.189 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cc2c(ccnc2Cl)s1 ZINC001458008687 1061537654 /nfs/dbraw/zinc/53/76/54/1061537654.db2.gz BBZXOOWIYAGWRW-UHFFFAOYSA-N -1 3 312.822 4.361 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](c1ccncc1)C1CCCC1 ZINC001458011782 1061540866 /nfs/dbraw/zinc/54/08/66/1061540866.db2.gz QBEXMBUZTRJODT-KRWDZBQOSA-N -1 3 304.434 4.154 20 30 DIEDHM C#CC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC001466163162 1061890163 /nfs/dbraw/zinc/89/01/63/1061890163.db2.gz KTKMDBQLIUBRSS-MRXNPFEDSA-N -1 3 321.401 4.101 20 30 DIEDHM CCCCCCC[C@@H](C)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC001468157692 1062271362 /nfs/dbraw/zinc/27/13/62/1062271362.db2.gz WYCIIMPQMDMPNJ-CQSZACIVSA-N -1 3 324.440 4.327 20 30 DIEDHM CCCCCCN([O-])C(=O)CCCOc1ccc(C)c(C)c1 ZINC001472621455 1063108082 /nfs/dbraw/zinc/10/80/82/1063108082.db2.gz VJQSBGVITVMUDR-UHFFFAOYSA-N -1 3 307.434 4.261 20 30 DIEDHM C[C@@H](CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001472615844 1063108131 /nfs/dbraw/zinc/10/81/31/1063108131.db2.gz HDICLXGJJLHNET-VIFPVBQESA-N -1 3 302.201 4.147 20 30 DIEDHM CC(C)CCSCC(=O)N([O-])CCCCc1ccccc1 ZINC001472620311 1063108152 /nfs/dbraw/zinc/10/81/52/1063108152.db2.gz XHAURCXQBKYFHY-UHFFFAOYSA-N -1 3 309.475 4.006 20 30 DIEDHM O=C(c1cccc(C2CC2)c1)N([O-])Cc1ccccc1Cl ZINC001472620362 1063109134 /nfs/dbraw/zinc/10/91/34/1063109134.db2.gz ZAMDRSKCTQVQOZ-UHFFFAOYSA-N -1 3 301.773 4.249 20 30 DIEDHM Cc1ccc(CCCC(=O)N([O-])Cc2ccccc2Cl)s1 ZINC001306894684 1065198876 /nfs/dbraw/zinc/19/88/76/1065198876.db2.gz OEZVXHUXTZWOBY-UHFFFAOYSA-N -1 3 323.845 4.451 20 30 DIEDHM CC(C)c1ccc(C(=O)N([O-])CCCCc2ccccc2)nc1 ZINC001306896336 1065199121 /nfs/dbraw/zinc/19/91/21/1065199121.db2.gz SMJUESJOHVPMFJ-UHFFFAOYSA-N -1 3 312.413 4.059 20 30 DIEDHM C[C@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001306895236 1065199268 /nfs/dbraw/zinc/19/92/68/1065199268.db2.gz WTBJZCHMAVXQJD-GFCCVEGCSA-N -1 3 321.779 4.391 20 30 DIEDHM CC(C)(C)c1ncsc1C(=O)N([O-])Cc1ccccc1Cl ZINC001306894205 1065199350 /nfs/dbraw/zinc/19/93/50/1065199350.db2.gz IKMXFNGRGQXADY-UHFFFAOYSA-N -1 3 324.833 4.126 20 30 DIEDHM CC(C)=C[C@H]1[C@H](C(=O)N([O-])CCCCc2ccccc2)C1(C)C ZINC001306896260 1065199462 /nfs/dbraw/zinc/19/94/62/1065199462.db2.gz PKIYWUKMFDFIOA-ZWKOTPCHSA-N -1 3 315.457 4.466 20 30 DIEDHM C=C[C@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001308726872 1066202933 /nfs/dbraw/zinc/20/29/33/1066202933.db2.gz NGVILULHKDVWKQ-ZDUSSCGKSA-N -1 3 310.235 4.004 20 30 DIEDHM C=C[C@H](CCC(=O)[O-])NCc1c(CCCC)oc2ccccc21 ZINC000417625453 335015780 /nfs/dbraw/zinc/01/57/80/335015780.db2.gz MFOSXDPUSCNWHG-CQSZACIVSA-N -1 3 315.413 4.284 20 30 DIEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3ccsn3)sc2[C@@H](C)C1 ZINC000297621842 132025710 /nfs/dbraw/zinc/02/57/10/132025710.db2.gz ADPZMBVAJHZCJL-IUCAKERBSA-N -1 3 317.439 4.014 20 30 DIEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2cc(C#N)cs2)s1 ZINC000297614874 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N#CC1(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])CCCC1 ZINC000179810250 333155549 /nfs/dbraw/zinc/15/55/49/333155549.db2.gz MGKDNBZMPPENNQ-UHFFFAOYSA-N -1 3 320.392 4.005 20 30 DIEDHM C=CCc1cccc(C(C)C)c1NC(=O)/C=C/c1cncc([O-])c1 ZINC000188073787 333158553 /nfs/dbraw/zinc/15/85/53/333158553.db2.gz AUJPJEGZRGARBV-MDZDMXLPSA-N -1 3 322.408 4.291 20 30 DIEDHM CCc1nc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)c(C)o1 ZINC000411006560 333617342 /nfs/dbraw/zinc/61/73/42/333617342.db2.gz JYTAYWRIMVUYQS-UHFFFAOYSA-N -1 3 317.414 4.028 20 30 DIEDHM C[C@@H]1C[C@H](C)Cc2sc([N-]C(=O)c3cncs3)c(C#N)c21 ZINC000411007298 333619848 /nfs/dbraw/zinc/61/98/48/333619848.db2.gz GCFNVOREEZBUOL-DTWKUNHWSA-N -1 3 317.439 4.014 20 30 DIEDHM C[C@H](CC#N)Sc1ccccc1NC([O-])=NOC1CCCC1 ZINC000271797947 334027044 /nfs/dbraw/zinc/02/70/44/334027044.db2.gz JIEXZTDZAKMNHI-GFCCVEGCSA-N -1 3 319.430 4.077 20 30 DIEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)[N-]OC1CCCC1 ZINC000271797947 334027046 /nfs/dbraw/zinc/02/70/46/334027046.db2.gz 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Cc1cc(C)cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464474174 339143032 /nfs/dbraw/zinc/14/30/32/339143032.db2.gz JVNGUAAMACOYAD-CQSZACIVSA-N -1 3 318.298 4.207 20 30 DIEDHM CC(C)Sc1ccccc1[N-]C(=O)c1ccc(C#N)s1 ZINC000472569664 339374007 /nfs/dbraw/zinc/37/40/07/339374007.db2.gz ZXCOXGILBSWIEM-UHFFFAOYSA-N -1 3 302.424 4.373 20 30 DIEDHM CCN(Cc1c(F)ccc([O-])c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000507333394 340217509 /nfs/dbraw/zinc/21/75/09/340217509.db2.gz LWZOKVKDHOCHJX-GFCCVEGCSA-N -1 3 316.351 4.125 20 30 DIEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000513769703 340424064 /nfs/dbraw/zinc/42/40/64/340424064.db2.gz OFYGPQKWSRXONO-UHFFFAOYSA-N -1 3 308.381 4.122 20 30 DIEDHM C=CCCC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000134645482 341220880 /nfs/dbraw/zinc/22/08/80/341220880.db2.gz FSZFINNDRZNZSY-UHFFFAOYSA-N -1 3 323.418 4.048 20 30 DIEDHM CCCc1cc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)no1 ZINC000297628102 535395154 /nfs/dbraw/zinc/39/51/54/535395154.db2.gz FGHXKGCITJMUAJ-UHFFFAOYSA-N -1 3 317.414 4.110 20 30 DIEDHM CC(C)(C)c1cc([N-]C(=O)c2ccc(Cl)o2)c(C#N)s1 ZINC000154242950 1035841106 /nfs/dbraw/zinc/84/11/06/1035841106.db2.gz MDXMDRGCAWFGFT-UHFFFAOYSA-N -1 3 308.790 4.416 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cc(Br)cs2)ccc1[O-] ZINC000728232001 1036171005 /nfs/dbraw/zinc/17/10/05/1036171005.db2.gz PYHHEHDHEKHFHE-HYXAFXHYSA-N -1 3 323.211 4.421 20 30 DIEDHM CCOc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000728231580 1036176522 /nfs/dbraw/zinc/17/65/22/1036176522.db2.gz LTQCAZMQILTJNQ-YVMONPNESA-N -1 3 312.365 4.004 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cccc(OC(F)F)c2)ccc1[O-] ZINC000728232965 1036190904 /nfs/dbraw/zinc/19/09/04/1036190904.db2.gz ZBIJBISBQSHUCU-ALCCZGGFSA-N -1 3 304.292 4.198 20 30 DIEDHM CCOc1cc(/C=C\C(=O)c2cccs2)cc(Cl)c1[O-] ZINC000211717474 1037371214 /nfs/dbraw/zinc/37/12/14/1037371214.db2.gz AXDAJYPADZSXEC-WAYWQWQTSA-N -1 3 308.786 4.402 20 30 DIEDHM CSc1cccc(F)c1[N-]c1onc(C(C)(C)C)c1C#N ZINC001215822903 1037672437 /nfs/dbraw/zinc/67/24/37/1037672437.db2.gz IZIFXALFJIXZLJ-UHFFFAOYSA-N -1 3 305.378 4.448 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000588467549 1038313104 /nfs/dbraw/zinc/31/31/04/1038313104.db2.gz RYJAREUOWCSCDK-BJSXHXNNSA-N -1 3 315.800 4.385 20 30 DIEDHM N#CC(=C([O-])c1ccoc1C1CC1)c1ccc2ccccc2n1 ZINC000684948556 1038736391 /nfs/dbraw/zinc/73/63/91/1038736391.db2.gz XSGBUWXOLHSOGP-HNNXBMFYSA-N -1 3 302.333 4.195 20 30 DIEDHM C=C[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000535439498 1039213380 /nfs/dbraw/zinc/21/33/80/1039213380.db2.gz BTDRQJVPAHQTNT-GFCCVEGCSA-N -1 3 301.773 4.344 20 30 DIEDHM N#CC(=C([O-])c1cc2ccsc2[nH]1)c1nc(C2CC2)cs1 ZINC000647375070 1040355928 /nfs/dbraw/zinc/35/59/28/1040355928.db2.gz RBOHXZBAZZQSDV-SNVBAGLBSA-N -1 3 313.407 4.053 20 30 DIEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)nc1 ZINC000685782556 1040629820 /nfs/dbraw/zinc/62/98/20/1040629820.db2.gz KZFNCKHZOVTUPY-MRXNPFEDSA-N -1 3 315.376 4.243 20 30 DIEDHM COc1cc(/C=C2\C(=O)c3ccccc3[C@H]2C)cc(Cl)c1[O-] ZINC000809156899 1041100725 /nfs/dbraw/zinc/10/07/25/1041100725.db2.gz ORXFFGJFBMCDHD-QOUOVQQFSA-N -1 3 314.768 4.438 20 30 DIEDHM N#CC(=C([O-])c1ccc(C2CC2)cc1)c1nc(C2CC2)cs1 ZINC000659115945 1041221423 /nfs/dbraw/zinc/22/14/23/1041221423.db2.gz KYTFNHJEZSRDND-HNNXBMFYSA-N -1 3 308.406 4.388 20 30 DIEDHM N#CC(=C([O-])c1ccc(-c2ccc(F)cc2)s1)c1ccccn1 ZINC000041493369 1041537421 /nfs/dbraw/zinc/53/74/21/1041537421.db2.gz SBKXVLNTZRNUJJ-AWEZNQCLSA-N -1 3 322.364 4.439 20 30 DIEDHM N#CC(=C([O-])C=CC1CCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813213590 1041680512 /nfs/dbraw/zinc/68/05/12/1041680512.db2.gz NZZOXVIXKYZFBP-PSKZRQQASA-N -1 3 322.330 4.413 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000814770322 1041864026 /nfs/dbraw/zinc/86/40/26/1041864026.db2.gz ZOVAJVQJXHFTDV-SECBINFHSA-N -1 3 307.262 4.094 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1cccc(Cl)c1Cl ZINC000815649135 1041984009 /nfs/dbraw/zinc/98/40/09/1041984009.db2.gz IEZWJBDHOYMFAU-MRVPVSSYSA-N -1 3 308.155 4.382 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@H](CC(F)(F)F)c1ccccc1C ZINC000816500821 1042060133 /nfs/dbraw/zinc/06/01/33/1042060133.db2.gz JPDMRLQYCJCAIH-GFCCVEGCSA-N -1 3 321.289 4.316 20 30 DIEDHM N#CCC[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000816558059 1042067438 /nfs/dbraw/zinc/06/74/38/1042067438.db2.gz LUDLEQYPVBUPNC-MRXNPFEDSA-N -1 3 318.779 4.319 20 30 DIEDHM COc1cc(C(=O)/C=C/c2ccc3c(c2)CC(C)(C)O3)ccc1[O-] ZINC000729149750 1042509266 /nfs/dbraw/zinc/50/92/66/1042509266.db2.gz LBDRTYUHLCRROZ-QPJJXVBHSA-N -1 3 324.376 4.010 20 30 DIEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc(Cl)s1 ZINC000794925585 1043205637 /nfs/dbraw/zinc/20/56/37/1043205637.db2.gz AMZMSKKUICDWBF-HNQUOIGGSA-N -1 3 300.713 4.281 20 30 DIEDHM Cn1cc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c2ccccc21 ZINC000794935435 1043228608 /nfs/dbraw/zinc/22/86/08/1043228608.db2.gz RHUCRIQPCVHZLL-VURMDHGXSA-N -1 3 313.303 4.058 20 30 DIEDHM O=C1c2cccc(Cl)c2C/C1=C\c1c(F)ccc([O-])c1F ZINC000794935773 1043241235 /nfs/dbraw/zinc/24/12/35/1043241235.db2.gz UEKDKIOVLVLBNZ-BQYQJAHWSA-N -1 3 306.695 4.146 20 30 DIEDHM COc1ccc(Cl)cc1C(=O)/C=C/c1c(F)ccc([O-])c1F ZINC000794937653 1043242510 /nfs/dbraw/zinc/24/25/10/1043242510.db2.gz HUHXYXQWBZHHDL-HWKANZROSA-N -1 3 324.710 4.229 20 30 DIEDHM CCN(C)c1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794941752 1043245463 /nfs/dbraw/zinc/24/54/63/1043245463.db2.gz XCHWKDVZIYMOOQ-NTMALXAHSA-N -1 3 317.335 4.023 20 30 DIEDHM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)c(C)c1 ZINC000442605349 1043398129 /nfs/dbraw/zinc/39/81/29/1043398129.db2.gz MSOOLOPEXSQJCD-AWEZNQCLSA-N -1 3 322.389 4.103 20 30 DIEDHM Cc1csc(C(C#N)=C([O-])c2cc3cc(Cl)sc3[nH]2)n1 ZINC000355118759 1043744085 /nfs/dbraw/zinc/74/40/85/1043744085.db2.gz BYGWJFAEHDEJGJ-MRVPVSSYSA-N -1 3 321.814 4.138 20 30 DIEDHM CCc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)sc1C ZINC000522830690 1044214022 /nfs/dbraw/zinc/21/40/22/1044214022.db2.gz PBBZUXUHBUQIDJ-ZDUSSCGKSA-N -1 3 323.421 4.294 20 30 DIEDHM CN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131184283 1044229462 /nfs/dbraw/zinc/22/94/62/1044229462.db2.gz LYGUBJKAXNJPKV-UHFFFAOYSA-N -1 3 321.207 4.203 20 30 DIEDHM CC(C)c1cccc(C([O-])=C(C#N)c2nccc3ccccc32)n1 ZINC000361524392 1044414819 /nfs/dbraw/zinc/41/48/19/1044414819.db2.gz KZUVADXFXQFACO-INIZCTEOSA-N -1 3 315.376 4.243 20 30 DIEDHM C=C(C)CN(CC)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000568521786 1044632516 /nfs/dbraw/zinc/63/25/16/1044632516.db2.gz MNKGAGLNQCRQBV-CYBMUJFWSA-N -1 3 302.201 4.017 20 30 DIEDHM Cc1csc([N-]C(=O)c2coc(C3CCCCC3)n2)c1C#N ZINC000579158899 1045296981 /nfs/dbraw/zinc/29/69/81/1045296981.db2.gz NVPYGHGUUICFRF-UHFFFAOYSA-N -1 3 315.398 4.216 20 30 DIEDHM N#CCCCOc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000114764089 1045566959 /nfs/dbraw/zinc/56/69/59/1045566959.db2.gz RJYMPMZHCQIANN-UHFFFAOYSA-N -1 3 316.788 4.340 20 30 DIEDHM N#CC(=C([O-])c1cc2c(s1)CCCCC2)c1cccc(F)n1 ZINC001122714357 1045569984 /nfs/dbraw/zinc/56/99/84/1045569984.db2.gz KLIRQMJALCDREN-LBPRGKRZSA-N -1 3 314.385 4.041 20 30 DIEDHM Cc1nc(C2CC2)oc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091979 1045602986 /nfs/dbraw/zinc/60/29/86/1045602986.db2.gz VYPRQGMZQJWPBE-UHFFFAOYSA-N -1 3 322.364 4.045 20 30 DIEDHM O=C(c1ccc(-c2ccccc2)o1)N([O-])Cc1ccc(F)cc1 ZINC000900094542 1045604453 /nfs/dbraw/zinc/60/44/53/1045604453.db2.gz PEIYOOWYHWTKAA-UHFFFAOYSA-N -1 3 311.312 4.117 20 30 DIEDHM O=C([C@H]1CC=CCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096525 1045604481 /nfs/dbraw/zinc/60/44/81/1045604481.db2.gz GUAQKTPTKFFOQY-NSHDSACASA-N -1 3 300.185 4.068 20 30 DIEDHM Cc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)s1 ZINC000901379589 1045717443 /nfs/dbraw/zinc/71/74/43/1045717443.db2.gz JGVUAILYCAOHDO-UHFFFAOYSA-N -1 3 316.209 4.395 20 30 DIEDHM Cc1cc(C)cc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000901367333 1045709412 /nfs/dbraw/zinc/70/94/12/1045709412.db2.gz AUUGVGLESDRSSQ-UHFFFAOYSA-N -1 3 305.377 4.488 20 30 DIEDHM O=C(c1cccc2c1CCC2)N([O-])Cc1cccc2ccccc21 ZINC000901369424 1045710255 /nfs/dbraw/zinc/71/02/55/1045710255.db2.gz CGEPCQIVRYSAGM-UHFFFAOYSA-N -1 3 317.388 4.360 20 30 DIEDHM CCc1ccsc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369335 1045711099 /nfs/dbraw/zinc/71/10/99/1045711099.db2.gz AYTBRFRNLLNMPN-UHFFFAOYSA-N -1 3 311.406 4.495 20 30 DIEDHM CC[C@H](Sc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371679 1045711519 /nfs/dbraw/zinc/71/15/19/1045711519.db2.gz HGRPOLUKRZJESW-INIZCTEOSA-N -1 3 319.401 4.114 20 30 DIEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000901371421 1045711568 /nfs/dbraw/zinc/71/15/68/1045711568.db2.gz BPAZOHSODFFAOX-UHFFFAOYSA-N -1 3 321.779 4.175 20 30 DIEDHM O=C([C@@H]1C[C@@H]1C1CCCC1)N([O-])Cc1cccc2ccccc21 ZINC000901370687 1045712746 /nfs/dbraw/zinc/71/27/46/1045712746.db2.gz DDOCIOBQTDLBSA-RTBURBONSA-N -1 3 309.409 4.384 20 30 DIEDHM C[C@@H](Cc1ccccc1Cl)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372064 1045713621 /nfs/dbraw/zinc/71/36/21/1045713621.db2.gz PAARZUVUGWYPNV-LBPRGKRZSA-N -1 3 321.779 4.076 20 30 DIEDHM CC[C@H](C)[C@@H](C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378257 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[O-]c1ccc(F)cc1C=NOCc1ccc(C(F)(F)F)cc1 ZINC000755804357 1046015508 /nfs/dbraw/zinc/01/55/08/1046015508.db2.gz LYUPPUJUTOHBLH-UHFFFAOYSA-N -1 3 313.250 4.101 20 30 DIEDHM CC(C)c1ncc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)s1 ZINC000758431361 1046269149 /nfs/dbraw/zinc/26/91/49/1046269149.db2.gz XIGJWWSVRMLOFH-CAXXOGMASA-N -1 3 317.385 4.495 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1nc(Cl)cs1 ZINC000759075717 1046316106 /nfs/dbraw/zinc/31/61/06/1046316106.db2.gz IVDZYMXSYFYHDU-CDXJMXTPSA-N -1 3 309.749 4.025 20 30 DIEDHM COc1cc(C(=O)/C=C/c2c(C)oc3ccccc23)ccc1[O-] ZINC000759074451 1046316902 /nfs/dbraw/zinc/31/69/02/1046316902.db2.gz DOQKAWCUMJJOLR-CSKARUKUSA-N -1 3 308.333 4.352 20 30 DIEDHM CCCCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000041519444 1046451681 /nfs/dbraw/zinc/45/16/81/1046451681.db2.gz BYQOTXPEDDLDNV-OAHLLOKOSA-N -1 3 314.410 4.121 20 30 DIEDHM COc1cc(C(=O)/C=C/c2ccc(Cl)cc2F)ccc1[O-] ZINC000782200353 1046502100 /nfs/dbraw/zinc/50/21/00/1046502100.db2.gz LNCKBCMWPKWRCT-ZZXKWVIFSA-N -1 3 306.720 4.089 20 30 DIEDHM COc1ccc(NN=C(C)c2ccc([O-])c(F)c2)cc1Cl ZINC000782232702 1046508815 /nfs/dbraw/zinc/50/88/15/1046508815.db2.gz WZTHCKSOODYPTN-UHFFFAOYSA-N -1 3 308.740 4.029 20 30 DIEDHM CC(C)(C)c1csc(CC/N=C/c2cc(Cl)ccc2[O-])n1 ZINC000729641642 1046513386 /nfs/dbraw/zinc/51/33/86/1046513386.db2.gz QTCXVKJDTVNAOX-GIJQJNRQSA-N -1 3 322.861 4.461 20 30 DIEDHM CC(C)Oc1ccc(Cl)cc1C([O-])=C(C#N)c1ccccn1 ZINC000066506989 1046783121 /nfs/dbraw/zinc/78/31/21/1046783121.db2.gz ZOUCXSGNSNZXTH-CQSZACIVSA-N -1 3 314.772 4.012 20 30 DIEDHM COc1cc(/C=C\C(=O)c2cc(C)c(C)o2)cc(Cl)c1[O-] ZINC000799896829 1047071699 /nfs/dbraw/zinc/07/16/99/1047071699.db2.gz KQBRGEHVARTBMO-PLNGDYQASA-N -1 3 306.745 4.160 20 30 DIEDHM CN(Cc1ccc(C#N)cc1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142111325 1047383977 /nfs/dbraw/zinc/38/39/77/1047383977.db2.gz HUVNWCRUHJXUEK-UHFFFAOYSA-N -1 3 321.207 4.203 20 30 DIEDHM COc1cc(/C=C2\CCc3sccc3C2=O)cc(Cl)c1[O-] ZINC000726890148 1047387215 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CCOc1cc(Nc2cc(C#N)ccc2[O-])cc(C(F)(F)F)c1 ZINC001175139589 1048162434 /nfs/dbraw/zinc/16/24/34/1048162434.db2.gz OYSDOSYHPUZKGL-UHFFFAOYSA-N -1 3 322.286 4.425 20 30 DIEDHM O=C([C@H]1Cc2ccc(Cl)cc21)N([O-])Cc1ccccc1Cl ZINC001161807878 1048175156 /nfs/dbraw/zinc/17/51/56/1048175156.db2.gz PZXPXDOXZCFNLX-AWEZNQCLSA-N -1 3 322.191 4.051 20 30 DIEDHM C[C@@H]1CC(C(=O)N([O-])CCCCc2ccccc2)C[C@@H](C)C1 ZINC001161819368 1048176967 /nfs/dbraw/zinc/17/69/67/1048176967.db2.gz QVSWITJIMLCSKW-HOTGVXAUSA-N -1 3 303.446 4.299 20 30 DIEDHM [O-]c1ccc(F)c(Nc2c(F)c(F)c(F)c(F)c2F)c1F ZINC001175265302 1048245490 /nfs/dbraw/zinc/24/54/90/1048245490.db2.gz KWWKKKYDKZSOKN-UHFFFAOYSA-N -1 3 311.156 4.110 20 30 DIEDHM N#Cc1cc(C(F)(F)F)ccc1Nc1cc(Cl)ncc1[O-] ZINC001201691561 1048358602 /nfs/dbraw/zinc/35/86/02/1048358602.db2.gz MBWLCGHZXASJEC-UHFFFAOYSA-N -1 3 313.666 4.075 20 30 DIEDHM CCCCCCCCS(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC001188013163 1048467216 /nfs/dbraw/zinc/46/72/16/1048467216.db2.gz ORDBGFNBQKDMFD-UHFFFAOYSA-N -1 3 323.380 4.206 20 30 DIEDHM Cc1cccc(C)c1NC(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001202199698 1048478733 /nfs/dbraw/zinc/47/87/33/1048478733.db2.gz XUVXEMRJNWCNNJ-UHFFFAOYSA-N -1 3 312.373 4.105 20 30 DIEDHM CCc1ccc([C@H](C)CC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901372438 1048631268 /nfs/dbraw/zinc/63/12/68/1048631268.db2.gz ZCWKEWJIXSAWHO-CQSZACIVSA-N -1 3 315.388 4.300 20 30 DIEDHM CC(C)(C)c1ccccc1NC(=O)Nc1ccc([O-])cc1C#N ZINC001189593398 1048639197 /nfs/dbraw/zinc/63/91/97/1048639197.db2.gz LQEVTZYFLINWQP-UHFFFAOYSA-N -1 3 309.369 4.205 20 30 DIEDHM CCCOc1ccc(Nc2cc(C#N)ccc2[O-])cc1Cl ZINC001176307658 1048644613 /nfs/dbraw/zinc/64/46/13/1048644613.db2.gz WWFNLOXTPAXSHQ-UHFFFAOYSA-N -1 3 302.761 4.450 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCCOc2ccccc21 ZINC000749748600 1048673127 /nfs/dbraw/zinc/67/31/27/1048673127.db2.gz HXQRBPNFKZGWRU-MXDDHBLUSA-N -1 3 301.773 4.378 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCCOc2ccccc21 ZINC000749748604 1048674110 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N#Cc1c(F)cc(Nc2cccc(C(F)(F)F)c2[O-])cc1F ZINC001203681828 1048961079 /nfs/dbraw/zinc/96/10/79/1048961079.db2.gz REBZKWMUQMGFGZ-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM CC(F)(F)CCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904182677 1048995508 /nfs/dbraw/zinc/99/55/08/1048995508.db2.gz LSPMVSQPBOEWIX-UHFFFAOYSA-N -1 3 312.143 4.147 20 30 DIEDHM CSc1ccc(C(=O)[N-]c2c(C#N)oc3ccccc32)s1 ZINC001192635450 1049125107 /nfs/dbraw/zinc/12/51/07/1049125107.db2.gz JBNWMEODQCZCFQ-UHFFFAOYSA-N -1 3 314.391 4.340 20 30 DIEDHM CC(N=Nc1nc2ccccc2[n-]c1=S)C1CC(F)(F)C1 ZINC000863125101 1049534695 /nfs/dbraw/zinc/53/46/95/1049534695.db2.gz NDRGZHHWWVSIDH-UHFFFAOYSA-N -1 3 308.357 4.125 20 30 DIEDHM FC1(F)CCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863125569 1049535450 /nfs/dbraw/zinc/53/54/50/1049535450.db2.gz ZJIUGZWXKZTROG-UHFFFAOYSA-N -1 3 308.357 4.270 20 30 DIEDHM C[C@H](O[N-]C(=O)CCC1CCCCC1)c1cccc(C#N)c1 ZINC000794721664 1049685679 /nfs/dbraw/zinc/68/56/79/1049685679.db2.gz VFTURUHBUJLZAX-AWEZNQCLSA-N -1 3 300.402 4.028 20 30 DIEDHM COc1cc(/C=C/C(=O)c2ccc(F)cc2F)cc(Cl)c1[O-] ZINC000057435352 1050089747 /nfs/dbraw/zinc/08/97/47/1050089747.db2.gz AUTFDYROTDAXDT-GORDUTHDSA-N -1 3 324.710 4.229 20 30 DIEDHM COc1cc(C(F)(F)F)ccc1Nc1cc(C#N)ccc1[O-] ZINC001209884070 1050100526 /nfs/dbraw/zinc/10/05/26/1050100526.db2.gz MFIOENGGNSHTQX-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM COc1cccc(Nc2ccc([O-])c(C(F)(F)F)c2)c1C#N ZINC001209987253 1050117697 /nfs/dbraw/zinc/11/76/97/1050117697.db2.gz MMHNUMJWEOSNPF-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3nccs3)sc2[C@@H](C)C1 ZINC000590999635 1050118314 /nfs/dbraw/zinc/11/83/14/1050118314.db2.gz PAJOAYLZKMFZHR-IUCAKERBSA-N -1 3 317.439 4.014 20 30 DIEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3nccs3)sc21 ZINC000590999634 1050118324 /nfs/dbraw/zinc/11/83/24/1050118324.db2.gz PAJOAYLZKMFZHR-DTWKUNHWSA-N -1 3 317.439 4.014 20 30 DIEDHM Cc1cc(F)c(Nc2ccc([O-])c(C#N)c2)cc1Br ZINC001210532325 1050283697 /nfs/dbraw/zinc/28/36/97/1050283697.db2.gz GSFMQOITIBHLKP-UHFFFAOYSA-N -1 3 321.149 4.218 20 30 DIEDHM COc1cccc(C#N)c1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210827490 1050384229 /nfs/dbraw/zinc/38/42/29/1050384229.db2.gz BUHONUGMBOSXHW-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM N#C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C1CCCCC1 ZINC000786142157 1050455041 /nfs/dbraw/zinc/45/50/41/1050455041.db2.gz SIICPAQRDJQZMM-OAHLLOKOSA-N -1 3 315.394 4.236 20 30 DIEDHM CC(C)(C#N)CCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786138692 1050456153 /nfs/dbraw/zinc/45/61/53/1050456153.db2.gz XFEFTULYDYZYKV-UHFFFAOYSA-N -1 3 303.383 4.094 20 30 DIEDHM N#Cc1cc([N-]c2nc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1 ZINC001211327560 1050547361 /nfs/dbraw/zinc/54/73/61/1050547361.db2.gz UVDTXPNMILCHOP-UHFFFAOYSA-N -1 3 314.688 4.005 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2cccc3c2OC(C)(C)C3)ccc1[O-] ZINC000737442579 1050723894 /nfs/dbraw/zinc/72/38/94/1050723894.db2.gz CHJKPHZMVRQRSC-JXMROGBWSA-N -1 3 308.377 4.310 20 30 DIEDHM COCc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1 ZINC000741848446 1050754044 /nfs/dbraw/zinc/75/40/44/1050754044.db2.gz LWDQJIVICLQGJQ-HOXUKUGESA-N -1 3 312.340 4.061 20 30 DIEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001147171927 1050865415 /nfs/dbraw/zinc/86/54/15/1050865415.db2.gz AZLLXHQWZLFESV-KBXCAEBGSA-N -1 3 309.409 4.410 20 30 DIEDHM CCO[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])C12CCCC2 ZINC000743044014 1050979337 /nfs/dbraw/zinc/97/93/37/1050979337.db2.gz CMRPLMBQNHZMNN-ZYTDBRAZSA-N -1 3 307.821 4.202 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\CCSCc1ccccc1 ZINC000743340387 1051012998 /nfs/dbraw/zinc/01/29/98/1051012998.db2.gz DEOBBSJTRRCINZ-WQRHYEAKSA-N -1 3 305.830 4.398 20 30 DIEDHM CC(C)Oc1ccc(F)c(Nc2ccc([O-])c(C#N)c2)c1F ZINC001215176584 1051104833 /nfs/dbraw/zinc/10/48/33/1051104833.db2.gz QKSJHEKEQIACMO-UHFFFAOYSA-N -1 3 304.296 4.073 20 30 DIEDHM N#CC(=C([O-])C=Cc1cccs1)c1nccc2ccccc21 ZINC000792101732 1051115713 /nfs/dbraw/zinc/11/57/13/1051115713.db2.gz PDTZOACHFCDNPU-XITLMJRVSA-N -1 3 304.374 4.186 20 30 DIEDHM N#CC(=C([O-])C=Cc1cccs1)c1nccc2ccccc21 ZINC000792101727 1051116317 /nfs/dbraw/zinc/11/63/17/1051116317.db2.gz PDTZOACHFCDNPU-PTZVLDCSSA-N -1 3 304.374 4.186 20 30 DIEDHM N#CC(=C([O-])C=Cc1ccsc1)c1nccc2ccccc21 ZINC000792095169 1051120357 /nfs/dbraw/zinc/12/03/57/1051120357.db2.gz UJWUEQXYVFWKHU-SQRWCISFSA-N -1 3 304.374 4.186 20 30 DIEDHM CCCOc1ccc(F)c(Nc2cc(C#N)ccc2[O-])c1F ZINC001215568557 1051248707 /nfs/dbraw/zinc/24/87/07/1051248707.db2.gz RZXFENKFKYDCJW-UHFFFAOYSA-N -1 3 304.296 4.074 20 30 DIEDHM N#Cc1cccc([O-])c1Nc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001215582883 1051256489 /nfs/dbraw/zinc/25/64/89/1051256489.db2.gz NXZGSMJHCPRGRJ-UHFFFAOYSA-N -1 3 324.123 4.222 20 30 DIEDHM Cc1ccc(Nc2cccc([O-])c2Br)cc1C#N ZINC001216076830 1051566355 /nfs/dbraw/zinc/56/63/55/1051566355.db2.gz JJFLKCDWBAXHTF-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM CCCCCCCC[C@@H](CCC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001173309753 1051682245 /nfs/dbraw/zinc/68/22/45/1051682245.db2.gz KTKZBKAGEDILOM-MRXNPFEDSA-N -1 3 321.442 4.453 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2cccc(OC(F)(F)F)c2F)c1 ZINC001216523515 1051803861 /nfs/dbraw/zinc/80/38/61/1051803861.db2.gz ZFHXWDNEICZCBO-UHFFFAOYSA-N -1 3 312.222 4.045 20 30 DIEDHM Cc1ccc(C(C)C)c(-c2nc(-c3cccc(C#N)c3)no2)c1[O-] ZINC001216878673 1051898702 /nfs/dbraw/zinc/89/87/02/1051898702.db2.gz PDMURHIFNHPFKY-UHFFFAOYSA-N -1 3 319.364 4.413 20 30 DIEDHM Cc1cc2ccccc2nc1NN=C1CCc2c1ccc([O-])c2F ZINC000807979585 1051958993 /nfs/dbraw/zinc/95/89/93/1051958993.db2.gz BCUMWFAXXQPVHC-UHFFFAOYSA-N -1 3 321.355 4.150 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cn(C)nc2-c2cccs2)ccc1[O-] ZINC000769609136 1052086847 /nfs/dbraw/zinc/08/68/47/1052086847.db2.gz GOYCPHBKMMLOJZ-VURMDHGXSA-N -1 3 324.405 4.059 20 30 DIEDHM O=C(c1sccc1F)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649025903 1052535668 /nfs/dbraw/zinc/53/56/68/1052535668.db2.gz GFVCRVQKVIMDJP-UHFFFAOYSA-N -1 3 320.172 4.226 20 30 DIEDHM O=C(CCCC1CC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649026194 1052538062 /nfs/dbraw/zinc/53/80/62/1052538062.db2.gz RVTLYAKWZZWZSS-UHFFFAOYSA-N -1 3 302.201 4.292 20 30 DIEDHM CCOc1cc(/C=C\C(=O)c2cccc(F)c2)cc(Cl)c1[O-] ZINC000916134566 1052591330 /nfs/dbraw/zinc/59/13/30/1052591330.db2.gz PLIPQHSZHDWFBZ-SREVYHEPSA-N -1 3 320.747 4.480 20 30 DIEDHM CC[C@@H](O/C(=N\[O-])c1ccccc1Br)C(C)(C)C ZINC001223884492 1052647030 /nfs/dbraw/zinc/64/70/30/1052647030.db2.gz LHNVEOSBCLKENE-CZWGUHTPSA-N -1 3 314.223 4.426 20 30 DIEDHM CCCOc1cccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000917142605 1052712144 /nfs/dbraw/zinc/71/21/44/1052712144.db2.gz JHMXTYHPQWLXOJ-VQHVLOKHSA-N -1 3 312.365 4.086 20 30 DIEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000917556433 1052738566 /nfs/dbraw/zinc/73/85/66/1052738566.db2.gz ADXAZXWFUAJMHP-VJCPFXPRSA-N -1 3 304.733 4.134 20 30 DIEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2ccc3ccccc3c2)[n-]1 ZINC001225466574 1052792405 /nfs/dbraw/zinc/79/24/05/1052792405.db2.gz FGPDSRFPXCCAMS-CYBMUJFWSA-N -1 3 304.349 4.261 20 30 DIEDHM CCCCCCCCCN(C)C(=O)c1ccc(OC)cc1[O-] ZINC000918396031 1052794148 /nfs/dbraw/zinc/79/41/48/1052794148.db2.gz AWGXNQQZBQVGMJ-UHFFFAOYSA-N -1 3 307.434 4.223 20 30 DIEDHM C=C[C@@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1ccccc1 ZINC001225851215 1052839202 /nfs/dbraw/zinc/83/92/02/1052839202.db2.gz STBKXEAFKVMHRB-SNVBAGLBSA-N -1 3 312.316 4.090 20 30 DIEDHM CCCCCCCCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000919710673 1052883416 /nfs/dbraw/zinc/88/34/16/1052883416.db2.gz IAENZIDLUBNLNW-UHFFFAOYSA-N -1 3 314.429 4.009 20 30 DIEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1c([O-])ccc(C(C)=O)c1O ZINC001226483333 1052901162 /nfs/dbraw/zinc/90/11/62/1052901162.db2.gz WCTPPUXDPFVJEI-FFSVYQOJSA-N -1 3 304.386 4.060 20 30 DIEDHM CCOc1cc(C=NN[C@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000920386418 1052936713 /nfs/dbraw/zinc/93/67/13/1052936713.db2.gz ZWEBBXIMHMVDSZ-GFCCVEGCSA-N -1 3 318.804 4.129 20 30 DIEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1ccc(Br)cc1 ZINC001227344631 1052983592 /nfs/dbraw/zinc/98/35/92/1052983592.db2.gz BDSSELVJDPJZFP-JTQLQIEISA-N -1 3 318.170 4.166 20 30 DIEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC001227347020 1052983633 /nfs/dbraw/zinc/98/36/33/1052983633.db2.gz ZCZBHLBPVFTBRB-SNVBAGLBSA-N -1 3 307.271 4.423 20 30 DIEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC001227347018 1052983667 /nfs/dbraw/zinc/98/36/67/1052983667.db2.gz ZCZBHLBPVFTBRB-JTQLQIEISA-N -1 3 307.271 4.423 20 30 DIEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC001227350713 1052984099 /nfs/dbraw/zinc/98/40/99/1052984099.db2.gz PHYCKFXWZMQLAJ-SNVBAGLBSA-N -1 3 323.270 4.302 20 30 DIEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1c(Cl)cncc1Cl ZINC001227351651 1052984179 /nfs/dbraw/zinc/98/41/79/1052984179.db2.gz WVAPPQXMLHCLMZ-QMMMGPOBSA-N -1 3 309.152 4.106 20 30 DIEDHM C#C[C@@H](Oc1c([O-])cc(Br)cc1F)c1ccccc1 ZINC001227588373 1053003128 /nfs/dbraw/zinc/00/31/28/1053003128.db2.gz RUROCRRHJYRLDH-CQSZACIVSA-N -1 3 321.145 4.047 20 30 DIEDHM C=CC[C@@H](Oc1c([O-])cc(Br)cc1F)C(C)C ZINC001227590050 1053003223 /nfs/dbraw/zinc/00/32/23/1053003223.db2.gz BQYNOHAVXQFZIR-GFCCVEGCSA-N -1 3 303.171 4.273 20 30 DIEDHM C=CCC[C@@H](CC)Oc1c([O-])cc(Br)cc1F ZINC001227590280 1053003317 /nfs/dbraw/zinc/00/33/17/1053003317.db2.gz FAKJHVZNXOBSDG-SNVBAGLBSA-N -1 3 303.171 4.417 20 30 DIEDHM C=CC[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccc1 ZINC001227744319 1053012626 /nfs/dbraw/zinc/01/26/26/1053012626.db2.gz GFIDJYIQSNFGFU-MRXNPFEDSA-N -1 3 309.325 4.167 20 30 DIEDHM C=CC[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccc1 ZINC001227744319 1053012627 /nfs/dbraw/zinc/01/26/27/1053012627.db2.gz GFIDJYIQSNFGFU-MRXNPFEDSA-N -1 3 309.325 4.167 20 30 DIEDHM [O-]c1ccccc1N=CC=Nc1ccccc1O[C@@H]1CCCOC1 ZINC001228126080 1053045660 /nfs/dbraw/zinc/04/56/60/1053045660.db2.gz ZFAZBPZYBKXXEG-OAHLLOKOSA-N -1 3 324.380 4.055 20 30 DIEDHM C=C[C@@H](Oc1c([O-])ccc2c(C)cc(=O)oc21)c1ccccc1 ZINC001228623016 1053148359 /nfs/dbraw/zinc/14/83/59/1053148359.db2.gz OKQOPAYCSONNHQ-MRXNPFEDSA-N -1 3 308.333 4.113 20 30 DIEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H](C)C#C[Si](C)(C)C ZINC001228958655 1053213832 /nfs/dbraw/zinc/21/38/32/1053213832.db2.gz NRTPVEFRDFLBOF-CYBMUJFWSA-N -1 3 318.489 4.366 20 30 DIEDHM N#C[C@@H]1CC[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229934399 1053434637 /nfs/dbraw/zinc/43/46/37/1053434637.db2.gz YROOWKCLGREDSP-DABZTRAVSA-N -1 3 306.365 4.214 20 30 DIEDHM C=CC(C=C)Oc1cc(C(=O)c2ccc(Cl)cc2)ccc1[O-] ZINC001230453213 1053542215 /nfs/dbraw/zinc/54/22/15/1053542215.db2.gz ORGNQAMCFUCJRV-UHFFFAOYSA-N -1 3 314.768 4.396 20 30 DIEDHM C=CCCN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1F ZINC001231457704 1053757464 /nfs/dbraw/zinc/75/74/64/1053757464.db2.gz NEXXUSZILLIKEF-UHFFFAOYSA-N -1 3 313.372 4.102 20 30 DIEDHM O=C([C@@H]1CCC[C@H](F)C1)N([O-])Cc1cccc2ccccc21 ZINC001332008054 1054106578 /nfs/dbraw/zinc/10/65/78/1054106578.db2.gz UMDWLEBJOVQPAP-ZBFHGGJFSA-N -1 3 301.361 4.086 20 30 DIEDHM CN(Cc1ccc(C#N)cc1[O-])Cc1ccc(Cl)cc1Cl ZINC001233383298 1054255130 /nfs/dbraw/zinc/25/51/30/1054255130.db2.gz CXGVLXKGKQUFGP-UHFFFAOYSA-N -1 3 321.207 4.203 20 30 DIEDHM N#CC=C([O-])c1ccccc1OC1CCC(C(F)(F)F)CC1 ZINC001233523090 1054288431 /nfs/dbraw/zinc/28/84/31/1054288431.db2.gz UAGGDCYRTIWEKW-UHFFFAOYSA-N -1 3 311.303 4.283 20 30 DIEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cc(Cl)c([O-])cc1C ZINC001233590941 1054303122 /nfs/dbraw/zinc/30/31/22/1054303122.db2.gz BQNBLKDVKQYBCC-NSHDSACASA-N -1 3 312.793 4.019 20 30 DIEDHM CCOc1ccc([C@H](C)Oc2ccc(/C=N/[O-])cc2OC)cc1 ZINC001233803879 1054363925 /nfs/dbraw/zinc/36/39/25/1054363925.db2.gz UHURJHUBRCTHLC-HCZVKUGISA-N -1 3 315.369 4.042 20 30 DIEDHM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C(F)=C1CCCC1 ZINC001341952369 1054414232 /nfs/dbraw/zinc/41/42/32/1054414232.db2.gz NGORMJHGLKFBPT-CQSZACIVSA-N -1 3 324.355 4.166 20 30 DIEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C(F)=C1CCCC1 ZINC001341952369 1054414242 /nfs/dbraw/zinc/41/42/42/1054414242.db2.gz NGORMJHGLKFBPT-CQSZACIVSA-N -1 3 324.355 4.166 20 30 DIEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1ccc(Br)cc1 ZINC001234139048 1054439398 /nfs/dbraw/zinc/43/93/98/1054439398.db2.gz FMDMNTIQLYUWTF-JTQLQIEISA-N -1 3 318.170 4.166 20 30 DIEDHM CCn1ccnc1C(C#N)=C([O-])c1coc2ccc(C(C)C)cc21 ZINC001344863730 1054482352 /nfs/dbraw/zinc/48/23/52/1054482352.db2.gz KBLYKPYENMZANV-OAHLLOKOSA-N -1 3 321.380 4.263 20 30 DIEDHM C=C[C@@]1(C)CC[C@@H](Oc2c([O-])cc(Cl)cc2F)C(C)(C)O1 ZINC001234444326 1054523565 /nfs/dbraw/zinc/52/35/65/1054523565.db2.gz OMPFENIUSIVNAA-CJNGLKHVSA-N -1 3 314.784 4.466 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2sccc2Br)ccc1[O-] ZINC000764917650 1055292083 /nfs/dbraw/zinc/29/20/83/1055292083.db2.gz YOBCILLSDHBQRP-SNAWJCMRSA-N -1 3 323.211 4.421 20 30 DIEDHM CCCCCCN([O-])C(=O)c1oc2ccc(OC)cc2c1C ZINC001649052510 1055769917 /nfs/dbraw/zinc/76/99/17/1055769917.db2.gz ZDTUWMGFCDAFKT-UHFFFAOYSA-N -1 3 305.374 4.162 20 30 DIEDHM CCCCSCC(=O)N([O-])Cc1cccc2ccccc21 ZINC001649070148 1055879688 /nfs/dbraw/zinc/87/96/88/1055879688.db2.gz SPBMCCJZZCLGOS-UHFFFAOYSA-N -1 3 303.427 4.091 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cc(-c2ccccc2)ns1 ZINC001611655611 1056177957 /nfs/dbraw/zinc/17/79/57/1056177957.db2.gz KQYKYHFKVKFXNA-UHFFFAOYSA-N -1 3 304.415 4.222 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cnc(Cc2ccccc2)s1 ZINC001611655460 1056178487 /nfs/dbraw/zinc/17/84/87/1056178487.db2.gz DRBGGFQKCOIGEE-UHFFFAOYSA-N -1 3 318.442 4.146 20 30 DIEDHM CCCCN([O-])C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001611658111 1056178627 /nfs/dbraw/zinc/17/86/27/1056178627.db2.gz VGZGOEKSSDLVOP-QGZVFWFLSA-N -1 3 317.816 4.490 20 30 DIEDHM CCCCCCN([O-])C(=O)c1ccc2ccc(Cl)cc2n1 ZINC001611655913 1056178670 /nfs/dbraw/zinc/17/86/70/1056178670.db2.gz XMFZJHGYINLVES-UHFFFAOYSA-N -1 3 306.793 4.300 20 30 DIEDHM CC1=CC[C@](C)(C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC001611653365 1056178768 /nfs/dbraw/zinc/17/87/68/1056178768.db2.gz OUMVCAYXUDBQJF-IBGZPJMESA-N -1 3 301.430 4.364 20 30 DIEDHM CC(=O)c1cccc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001611662361 1056180426 /nfs/dbraw/zinc/18/04/26/1056180426.db2.gz FAFZXWZQOSZILD-UHFFFAOYSA-N -1 3 319.360 4.074 20 30 DIEDHM N#Cc1ccc(Nc2cc(F)cc(F)c2[O-])c(C(F)(F)F)c1 ZINC001212486191 1056815923 /nfs/dbraw/zinc/81/59/23/1056815923.db2.gz PUQSAFTWFKLGPF-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM CCc1ccc([O-])c(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000094039134 1057043873 /nfs/dbraw/zinc/04/38/73/1057043873.db2.gz NMNIYFBGJILHTA-CQSZACIVSA-N -1 3 322.408 4.050 20 30 DIEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000676459175 1057474309 /nfs/dbraw/zinc/47/43/09/1057474309.db2.gz UKWUGAQZESJLNV-INIZCTEOSA-N -1 3 315.376 4.243 20 30 DIEDHM N#Cc1cc2[nH]ccc2c(-c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC001242783869 1057475048 /nfs/dbraw/zinc/47/50/48/1057475048.db2.gz MIVYYWWXUIEVRV-UHFFFAOYSA-N -1 3 302.255 4.431 20 30 DIEDHM COc1ccc(N=Cc2cc(Br)ccc2[O-])c(C)c1 ZINC000727062407 1057631749 /nfs/dbraw/zinc/63/17/49/1057631749.db2.gz YBRALWWVGVPUHH-UHFFFAOYSA-N -1 3 320.186 4.222 20 30 DIEDHM CC(=NNc1cccc(C(F)(F)F)c1)c1ccc([O-])cc1F ZINC000729931363 1057696242 /nfs/dbraw/zinc/69/62/42/1057696242.db2.gz BMJCNSXIYPPSMQ-UHFFFAOYSA-N -1 3 312.266 4.386 20 30 DIEDHM Cc1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc(C)c1O ZINC000730589275 1057718085 /nfs/dbraw/zinc/71/80/85/1057718085.db2.gz AJKLLIIKUPGZTI-JYVXZMADSA-N -1 3 312.340 4.237 20 30 DIEDHM N#Cc1cc2cc(-c3ccc(C(F)(F)F)cc3[O-])ccc2[nH]1 ZINC001243609631 1057732141 /nfs/dbraw/zinc/73/21/41/1057732141.db2.gz RPWLNZGNYUVMJG-UHFFFAOYSA-N -1 3 302.255 4.431 20 30 DIEDHM COc1c(C#N)c(F)ccc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243612748 1057733614 /nfs/dbraw/zinc/73/36/14/1057733614.db2.gz VGWYCKGVWNTLAC-UHFFFAOYSA-N -1 3 311.234 4.097 20 30 DIEDHM CC(N=Nc1ccc(F)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000731319477 1057740105 /nfs/dbraw/zinc/74/01/05/1057740105.db2.gz VKCCZQFLJFZIQJ-UHFFFAOYSA-N -1 3 314.147 4.069 20 30 DIEDHM Cc1ccc(NC(=S)Nc2ccc([O-])c(C#N)c2)cc1Cl ZINC001245844716 1058549981 /nfs/dbraw/zinc/54/99/81/1058549981.db2.gz IDNZGRLUFPGHNC-UHFFFAOYSA-N -1 3 317.801 4.035 20 30 DIEDHM CSc1ccccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001559033288 1058939877 /nfs/dbraw/zinc/93/98/77/1058939877.db2.gz DJLVIQTTWDNPJG-UHFFFAOYSA-N -1 3 307.802 4.094 20 30 DIEDHM CC(C)(C)c1nc(C(=O)N([O-])Cc2cccc3ccccc32)co1 ZINC001559036264 1058942288 /nfs/dbraw/zinc/94/22/88/1058942288.db2.gz ATPYUZVJCHJBGD-UHFFFAOYSA-N -1 3 324.380 4.157 20 30 DIEDHM O=C(c1cc2ccccc2o1)N([O-])Cc1ccccc1Cl ZINC001559033690 1058942535 /nfs/dbraw/zinc/94/25/35/1058942535.db2.gz SNVMHEXFSQCSBV-UHFFFAOYSA-N -1 3 301.729 4.118 20 30 DIEDHM O=C(c1coc2ccccc12)N([O-])Cc1ccccc1Cl ZINC001559033823 1058943444 /nfs/dbraw/zinc/94/34/44/1058943444.db2.gz ZWGZTSQJWNROBE-UHFFFAOYSA-N -1 3 301.729 4.118 20 30 DIEDHM Cc1sc([N-]C(=O)c2ocnc2-c2ccccc2)c(C#N)c1C ZINC001522969803 1059163460 /nfs/dbraw/zinc/16/34/60/1059163460.db2.gz VHVNHOHGZWZVOE-UHFFFAOYSA-N -1 3 323.377 4.144 20 30 DIEDHM CC(C)Oc1cc(F)c(Nc2cc(C#N)ccc2[O-])c(F)c1 ZINC001249779229 1060398247 /nfs/dbraw/zinc/39/82/47/1060398247.db2.gz VBYXIBZEDWWYCY-UHFFFAOYSA-N -1 3 304.296 4.073 20 30 DIEDHM N#Cc1cc(CC(=O)c2ccc(-c3ccccc3)cc2)ccc1[O-] ZINC001249906803 1060470470 /nfs/dbraw/zinc/47/04/70/1060470470.db2.gz CGPRZDWEIHJJKC-UHFFFAOYSA-N -1 3 313.356 4.356 20 30 DIEDHM C[C@@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C=CCC1 ZINC001457999457 1061534231 /nfs/dbraw/zinc/53/42/31/1061534231.db2.gz XNBLBWOCOAFEKN-CQSZACIVSA-N -1 3 300.185 4.068 20 30 DIEDHM CCCCCCN([O-])C(=O)c1nc(-c2ccco2)sc1C ZINC001458012231 1061535921 /nfs/dbraw/zinc/53/59/21/1061535921.db2.gz SYHVGCGALTZCHL-UHFFFAOYSA-N -1 3 308.403 4.123 20 30 DIEDHM O=C([C@H]1CCCC[C@@H]1C1CC1)N([O-])Cc1ccccc1Cl ZINC001457995661 1061535965 /nfs/dbraw/zinc/53/59/65/1061535965.db2.gz VOOWPTKGQRCPHV-CABCVRRESA-N -1 3 307.821 4.274 20 30 DIEDHM N#C[C@]1(C(=O)N([O-])Cc2cccc3ccccc32)CC12CCCC2 ZINC001458015200 1061539889 /nfs/dbraw/zinc/53/98/89/1061539889.db2.gz CSOIIUZRTYZEJG-FQEVSTJZSA-N -1 3 320.392 4.032 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001458011065 1061541124 /nfs/dbraw/zinc/54/11/24/1061541124.db2.gz LGPPAHHZSRTEOZ-VXGBXAGGSA-N -1 3 315.335 4.006 20 30 DIEDHM CCCCN([O-])C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001458023944 1061541968 /nfs/dbraw/zinc/54/19/68/1061541968.db2.gz ONXXECPZPSSGJT-LJQANCHMSA-N -1 3 311.425 4.421 20 30 DIEDHM O=C(c1cc2sccc2s1)N([O-])Cc1ccc(F)cc1 ZINC001458019635 1061543028 /nfs/dbraw/zinc/54/30/28/1061543028.db2.gz XAQUSKWJCILFTG-UHFFFAOYSA-N -1 3 307.371 4.134 20 30 DIEDHM C[C@H]1C[C@@H]1c1nnc(-c2cc([O-])cc(-c3cccc(C#N)c3)c2)o1 ZINC001256771315 1062970961 /nfs/dbraw/zinc/97/09/61/1062970961.db2.gz FCBMCQJJWUIVQL-GTNSWQLSSA-N -1 3 317.348 4.104 20 30 DIEDHM CSc1ccsc1C(=O)N([O-])Cc1ccccc1Cl ZINC001472619715 1063108528 /nfs/dbraw/zinc/10/85/28/1063108528.db2.gz DGOZOEAEHINWRG-UHFFFAOYSA-N -1 3 313.831 4.155 20 30 DIEDHM Cc1cc(C(F)F)oc1C(=O)N([O-])Cc1ccccc1Cl ZINC001472620124 1063109489 /nfs/dbraw/zinc/10/94/89/1063109489.db2.gz PUUKNVOFCUJEPV-UHFFFAOYSA-N -1 3 315.703 4.211 20 30 DIEDHM CC1(C)CC(C(=O)N([O-])Cc2ccc(F)cc2)CC(C)(C)C1 ZINC001472622982 1063112898 /nfs/dbraw/zinc/11/28/98/1063112898.db2.gz QWOKVBOHQUVUCV-UHFFFAOYSA-N -1 3 307.409 4.396 20 30 DIEDHM CCc1cc(C(=O)[N-]c2sc(-c3ccccc3)cc2C#N)no1 ZINC001264674601 1064120405 /nfs/dbraw/zinc/12/04/05/1064120405.db2.gz AUAXRXFZPJUHEM-UHFFFAOYSA-N -1 3 323.377 4.089 20 30 DIEDHM C=CCCO[N-]C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001301632916 1065069806 /nfs/dbraw/zinc/06/98/06/1065069806.db2.gz HMQJDIBAYUHARV-UHFFFAOYSA-N -1 3 307.821 4.067 20 30 DIEDHM O=C(c1ccc(C(F)F)o1)N([O-])CCCCc1ccccc1 ZINC001306896304 1065198760 /nfs/dbraw/zinc/19/87/60/1065198760.db2.gz RIJMMGVMSZCGCW-UHFFFAOYSA-N -1 3 309.312 4.072 20 30 DIEDHM CCCCCCN([O-])C(=O)CCc1nc2ccccc2s1 ZINC001306896896 1065198779 /nfs/dbraw/zinc/19/87/79/1065198779.db2.gz QJBVIMSZWYGIEB-UHFFFAOYSA-N -1 3 306.431 4.027 20 30 DIEDHM C[C@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC=CCC1 ZINC001306892516 1065198855 /nfs/dbraw/zinc/19/88/55/1065198855.db2.gz FAYWRACMUAAFDN-HNNXBMFYSA-N -1 3 314.212 4.458 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cc2ccnc(Cl)c2s1 ZINC001306896805 1065199248 /nfs/dbraw/zinc/19/92/48/1065199248.db2.gz MMHWXZUFBVRAQQ-UHFFFAOYSA-N -1 3 312.822 4.361 20 30 DIEDHM CCCCN([O-])C(=O)CCCCc1nc2ccccc2s1 ZINC001306897542 1065199311 /nfs/dbraw/zinc/19/93/11/1065199311.db2.gz RAPCWKHVVOJEQZ-UHFFFAOYSA-N -1 3 306.431 4.027 20 30 DIEDHM C=C(C)C(C)(C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306893580 1065199394 /nfs/dbraw/zinc/19/93/94/1065199394.db2.gz MIXXQSCGVZRQMV-UHFFFAOYSA-N -1 3 302.201 4.314 20 30 DIEDHM O=C(Nc1ccccc1[O-])c1ccc(C#Cc2ccccc2)cc1 ZINC000011679566 181698549 /nfs/dbraw/zinc/69/85/49/181698549.db2.gz ZGGDKPYJGYMTQC-UHFFFAOYSA-N -1 3 313.356 4.044 20 30 DIEDHM C=C[C@@H](CCC(=O)[O-])NCc1c(CCCC)oc2ccccc21 ZINC000417625450 335015822 /nfs/dbraw/zinc/01/58/22/335015822.db2.gz MFOSXDPUSCNWHG-AWEZNQCLSA-N -1 3 315.413 4.284 20 30 DIEDHM Cc1csc([N-]C(=O)c2ccc(F)c(Cl)c2F)c1C#N ZINC000569466893 332096352 /nfs/dbraw/zinc/09/63/52/332096352.db2.gz NDFSXARVFQLBTA-UHFFFAOYSA-N -1 3 312.728 4.112 20 30 DIEDHM CC(C)(C)c1csc([N-]C(=O)c2ccc(C#N)s2)c1C#N ZINC000410926936 333609108 /nfs/dbraw/zinc/60/91/08/333609108.db2.gz JHDQVVLHOGTYNY-UHFFFAOYSA-N -1 3 315.423 4.103 20 30 DIEDHM CCCCCCC[C@H](CC(=O)[O-])NCc1cc(F)ccc1F ZINC000277184178 334086849 /nfs/dbraw/zinc/08/68/49/334086849.db2.gz FLZMGEMFPPGEPV-OAHLLOKOSA-N -1 3 313.388 4.258 20 30 DIEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000293396840 334197913 /nfs/dbraw/zinc/19/79/13/334197913.db2.gz QXRGNUFTSRYYJU-OLZOCXBDSA-N -1 3 321.446 4.180 20 30 DIEDHM CC(C)n1cccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000343913860 335201930 /nfs/dbraw/zinc/20/19/30/335201930.db2.gz GRHJGIUGWNNIJK-GFCCVEGCSA-N -1 3 309.394 4.169 20 30 DIEDHM N#CC(=C([O-])c1cccc2ccsc21)c1nc2ccccc2[nH]1 ZINC000343943753 335203583 /nfs/dbraw/zinc/20/35/83/335203583.db2.gz IZYYWJMQYYVQPJ-CYBMUJFWSA-N -1 3 317.373 4.268 20 30 DIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3coc4ccccc43)nc21 ZINC000345385441 335322243 /nfs/dbraw/zinc/32/22/43/335322243.db2.gz WFORYVZKCHUTMY-ZDUSSCGKSA-N -1 3 315.332 4.108 20 30 DIEDHM CSc1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cc1 ZINC000345387319 335322482 /nfs/dbraw/zinc/32/24/82/335322482.db2.gz XUYYFMMNOJLISG-CQSZACIVSA-N -1 3 321.405 4.083 20 30 DIEDHM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)ccn1C(C)C ZINC000346236158 335387072 /nfs/dbraw/zinc/38/70/72/335387072.db2.gz GHPZNKAWTBFMJL-GOSISDBHSA-N -1 3 317.392 4.416 20 30 DIEDHM Cc1nc(C2CC2)oc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000329786574 336081536 /nfs/dbraw/zinc/08/15/36/336081536.db2.gz QQRQPYCPXWGVMS-UHFFFAOYSA-N -1 3 301.371 4.047 20 30 DIEDHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1csc(=O)[n-]1)CCC2 ZINC000329917021 336094990 /nfs/dbraw/zinc/09/49/90/336094990.db2.gz QPUPFWRGSMGFHA-CQSZACIVSA-N -1 3 316.426 4.354 20 30 DIEDHM O=C(Nc1cccc(Cl)c1[O-])[C@H]1CCCCN1C1CCCC1 ZINC000330358282 336177193 /nfs/dbraw/zinc/17/71/93/336177193.db2.gz UQGMGGOXEZNDAS-OAHLLOKOSA-N -1 3 322.836 4.431 20 30 DIEDHM CSc1ccc(Cl)cc1[N-]C(=O)c1cc(C#N)oc1C ZINC000436135879 338259269 /nfs/dbraw/zinc/25/92/69/338259269.db2.gz QDGJERBMMLTWIT-UHFFFAOYSA-N -1 3 306.774 4.087 20 30 DIEDHM N#Cc1csc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436606079 338279665 /nfs/dbraw/zinc/27/96/65/338279665.db2.gz DFYAZJWDSXYWJN-UHFFFAOYSA-N -1 3 319.345 4.196 20 30 DIEDHM N#Cc1cccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436618303 338280310 /nfs/dbraw/zinc/28/03/10/338280310.db2.gz NEAHSGUXOHDUPD-UHFFFAOYSA-N -1 3 313.316 4.134 20 30 DIEDHM C=CCCCCCN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436909214 338293161 /nfs/dbraw/zinc/29/31/61/338293161.db2.gz LRARJSAKAJYYLQ-UHFFFAOYSA-N -1 3 301.430 4.089 20 30 DIEDHM C=C(C)C[C@H](C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000452763322 338778283 /nfs/dbraw/zinc/77/82/83/338778283.db2.gz ZEXKYQRRHXDYEE-VIFPVBQESA-N -1 3 312.207 4.004 20 30 DIEDHM CCc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464403430 339141491 /nfs/dbraw/zinc/14/14/91/339141491.db2.gz UOAHGMCWITZDMM-CQSZACIVSA-N -1 3 318.298 4.153 20 30 DIEDHM CC#CCCCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000468005551 339250977 /nfs/dbraw/zinc/25/09/77/339250977.db2.gz OUJQPPVEFIYEAJ-UHFFFAOYSA-N -1 3 307.393 4.115 20 30 DIEDHM C=CCCc1ccccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000504266314 340144073 /nfs/dbraw/zinc/14/40/73/340144073.db2.gz SNGOSZPNMFUQID-UHFFFAOYSA-N -1 3 315.800 4.345 20 30 DIEDHM O=C(Cc1cccc2ccccc21)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973329 341124257 /nfs/dbraw/zinc/12/42/57/341124257.db2.gz VOPUBMFYNNIWAG-UHFFFAOYSA-N -1 3 318.336 4.049 20 30 DIEDHM O=C(Cc1cccc2ccccc21)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973329 341124258 /nfs/dbraw/zinc/12/42/58/341124258.db2.gz VOPUBMFYNNIWAG-UHFFFAOYSA-N -1 3 318.336 4.049 20 30 DIEDHM O=C(Cc1cccc2ccccc21)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973329 341124259 /nfs/dbraw/zinc/12/42/59/341124259.db2.gz VOPUBMFYNNIWAG-UHFFFAOYSA-N -1 3 318.336 4.049 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2cc(F)c(F)cc2F)c1C#N ZINC000133124926 341156346 /nfs/dbraw/zinc/15/63/46/341156346.db2.gz KJSWBNCOUMYIQY-UHFFFAOYSA-N -1 3 324.327 4.160 20 30 DIEDHM C=CCCO[N-]C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001454239610 1054758805 /nfs/dbraw/zinc/75/88/05/1054758805.db2.gz KDJSMUWRXGGULQ-UHFFFAOYSA-N -1 3 316.228 4.330 20 30 DIEDHM Cc1cc(C(=O)/C=C/C=C\c2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000728232486 1036204832 /nfs/dbraw/zinc/20/48/32/1036204832.db2.gz ULMVIOYWSJCLKL-NINQLNBYSA-N -1 3 309.321 4.061 20 30 DIEDHM CCOc1cc(/C=C\C(=O)c2occc2C)cc(Cl)c1[O-] ZINC000255086447 1036500010 /nfs/dbraw/zinc/50/00/10/1036500010.db2.gz IMQJQYYYCSEQGX-PLNGDYQASA-N -1 3 306.745 4.242 20 30 DIEDHM CC(=O)c1ccc(Nc2cc([O-])cc(C(F)(F)F)c2)c(C#N)c1 ZINC001210828786 1037005396 /nfs/dbraw/zinc/00/53/96/1037005396.db2.gz WEDSDAOHQBOHSU-UHFFFAOYSA-N -1 3 320.270 4.229 20 30 DIEDHM COc1cc(C(=O)/C=C\c2coc3ccccc23)c(OC)cc1[O-] ZINC000255412711 1038297193 /nfs/dbraw/zinc/29/71/93/1038297193.db2.gz PBZOLGRAVOMLRC-FPLPWBNLSA-N -1 3 324.332 4.052 20 30 DIEDHM N#CC(=C([O-])c1cc2ccsc2[nH]1)c1nc2ccccc2s1 ZINC000613289571 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COc1cc(C(=O)/C=C/c2sccc2Cl)c(OC)cc1[O-] ZINC000195339229 1041806406 /nfs/dbraw/zinc/80/64/06/1041806406.db2.gz GMKZCKSQGNHZNV-ONEGZZNKSA-N -1 3 324.785 4.020 20 30 DIEDHM COc1cc(C(=O)/C=C/c2cc(Cl)cs2)c(OC)cc1[O-] ZINC000195339252 1041806868 /nfs/dbraw/zinc/80/68/68/1041806868.db2.gz OGHZYKNSZISLDI-ONEGZZNKSA-N -1 3 324.785 4.020 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(Cl)cc1Cl ZINC000814760132 1041862359 /nfs/dbraw/zinc/86/23/59/1041862359.db2.gz AXDJAMQOCVHGNA-QMMMGPOBSA-N -1 3 308.155 4.382 20 30 DIEDHM CC[C@H](/N=C/c1cc(Br)ccc1[O-])c1ccncc1 ZINC000125130924 1041879156 /nfs/dbraw/zinc/87/91/56/1041879156.db2.gz BEBKXZHBMXQWFR-XKYMITNMSA-N -1 3 319.202 4.120 20 30 DIEDHM C=CCC[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000815859540 1041998624 /nfs/dbraw/zinc/99/86/24/1041998624.db2.gz DYHMPJFDMOFULR-GFCCVEGCSA-N -1 3 321.289 4.484 20 30 DIEDHM O=C1c2cc(F)ccc2SC/C1=C/c1c(F)ccc([O-])c1F ZINC000794933078 1043226735 /nfs/dbraw/zinc/22/67/35/1043226735.db2.gz 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CO[C@H](c1ccc(F)cc1)[C@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000770568317 1050168926 /nfs/dbraw/zinc/16/89/26/1050168926.db2.gz JTYLVFYXAGHYMG-BHSFVVSZSA-N -1 3 321.779 4.380 20 30 DIEDHM Cc1cc(C#N)cc(Nc2ccc([O-])c(Br)c2)c1 ZINC001210389463 1050228855 /nfs/dbraw/zinc/22/88/55/1050228855.db2.gz FQKGFODZSHGKBN-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000734752608 1050308139 /nfs/dbraw/zinc/30/81/39/1050308139.db2.gz HRVKSGAHTSZXSY-YDJQYQNWSA-N -1 3 307.727 4.299 20 30 DIEDHM N#Cc1cc(F)cc(F)c1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210827005 1050384115 /nfs/dbraw/zinc/38/41/15/1050384115.db2.gz RTGFDICWWZXFGF-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM N#CCc1ccc(COC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000786137897 1050456974 /nfs/dbraw/zinc/45/69/74/1050456974.db2.gz PHMWMAKXRANPKH-UHFFFAOYSA-N -1 3 323.373 4.030 20 30 DIEDHM N#CC1(c2cccc(Nc3nc4c(cccc4[O-])s3)c2)CC1 ZINC001213311881 1050627118 /nfs/dbraw/zinc/62/71/18/1050627118.db2.gz IFOAZLURMMNHBM-UHFFFAOYSA-N -1 3 307.378 4.301 20 30 DIEDHM COc1cccc(C(F)(F)F)c1Nc1ccc([O-])c(C#N)c1 ZINC001213344799 1050635828 /nfs/dbraw/zinc/63/58/28/1050635828.db2.gz HCEDCRYVBAZCOX-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM N#Cc1ccc(-c2ccccc2Nc2cc(F)c([O-])c(F)c2)nc1 ZINC001213388790 1050647345 /nfs/dbraw/zinc/64/73/45/1050647345.db2.gz MKESLUWIAIBKFS-UHFFFAOYSA-N -1 3 323.302 4.348 20 30 DIEDHM CC(C)Oc1c(F)cc(Nc2cc(C#N)ccc2[O-])cc1F ZINC001213423549 1050653955 /nfs/dbraw/zinc/65/39/55/1050653955.db2.gz CVWIZTBFAHHBIN-UHFFFAOYSA-N -1 3 304.296 4.073 20 30 DIEDHM Cc1cccc(O[C@H](C)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000741843194 1050750469 /nfs/dbraw/zinc/75/04/69/1050750469.db2.gz JVPXBWJCEHOMHP-OTGIAGGSSA-N -1 3 303.789 4.240 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)ccc1[O-] ZINC000741841122 1050752226 /nfs/dbraw/zinc/75/22/26/1050752226.db2.gz KJUMUSWCNIMMMK-YWEYNIOJSA-N -1 3 318.319 4.241 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2ccc(N3CCCCC3)cc2F)c1 ZINC001213841393 1050760047 /nfs/dbraw/zinc/76/00/47/1050760047.db2.gz IZYQBZQEQZVPBF-UHFFFAOYSA-N -1 3 311.360 4.137 20 30 DIEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001147171929 1050864021 /nfs/dbraw/zinc/86/40/21/1050864021.db2.gz AZLLXHQWZLFESV-KSSFIOAISA-N -1 3 309.409 4.410 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/CCc1ccc2ccccc2n1 ZINC000743538829 1051042179 /nfs/dbraw/zinc/04/21/79/1051042179.db2.gz OLOXPIXFTPXQOK-UDWIEESQSA-N -1 3 310.784 4.255 20 30 DIEDHM CC(C)Oc1c(F)cc(F)c(Nc2ccc([O-])c(C#N)c2)c1F ZINC001212646230 1051320476 /nfs/dbraw/zinc/32/04/76/1051320476.db2.gz MEMLXTDXKGIMBW-UHFFFAOYSA-N -1 3 322.286 4.212 20 30 DIEDHM Cc1ccc(C#N)cc1N=Cc1cc(Br)ccc1[O-] ZINC000746340200 1051368604 /nfs/dbraw/zinc/36/86/04/1051368604.db2.gz BDUYDGCYWVTBIK-UHFFFAOYSA-N -1 3 315.170 4.085 20 30 DIEDHM Cc1cc(Nc2cc(C#N)cc(C(F)(F)F)c2)cc([O-])c1F ZINC001216081831 1051569783 /nfs/dbraw/zinc/56/97/83/1051569783.db2.gz DMCPXWAVIUSESX-UHFFFAOYSA-N -1 3 310.250 4.474 20 30 DIEDHM Cc1cc(Nc2cc(F)c(F)c(C#N)c2F)cc(Cl)c1[O-] ZINC001216089076 1051575012 /nfs/dbraw/zinc/57/50/12/1051575012.db2.gz LXNFXZZDKNMOGK-UHFFFAOYSA-N -1 3 312.678 4.387 20 30 DIEDHM N#Cc1c(Cl)cccc1Nc1cc(-c2ccccc2[O-])no1 ZINC001216126678 1051589368 /nfs/dbraw/zinc/58/93/68/1051589368.db2.gz DNARKJASANCQIB-UHFFFAOYSA-N -1 3 311.728 4.316 20 30 DIEDHM [O-]c1ccc(Br)cc1/C=N/C1CCC(F)(F)CC1 ZINC000761179117 1051598169 /nfs/dbraw/zinc/59/81/69/1051598169.db2.gz AAQGTBPKMAWMNV-CAOOACKPSA-N -1 3 318.161 4.152 20 30 DIEDHM CC(=O)Nc1cccc([C@H](C)/N=C\c2cc(Cl)ccc2[O-])c1 ZINC000914556985 1052160776 /nfs/dbraw/zinc/16/07/76/1052160776.db2.gz KLBRHRNYFBKIIV-ORPVNXHJSA-N -1 3 316.788 4.184 20 30 DIEDHM Nc1cccc(O[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)c1 ZINC001218223904 1052210759 /nfs/dbraw/zinc/21/07/59/1052210759.db2.gz XPPVGPIFZQMINY-VZFXBBDVSA-N -1 3 318.376 4.267 20 30 DIEDHM COc1cc(C(=O)/C=C/C(C)=C\c2ccccc2)c(OC)cc1[O-] ZINC000763105112 1052499770 /nfs/dbraw/zinc/49/97/70/1052499770.db2.gz JGKPQJSUSWYXGG-POLRJCGMSA-N -1 3 324.376 4.252 20 30 DIEDHM C=C[C@@](C)(CC)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649026133 1052535791 /nfs/dbraw/zinc/53/57/91/1052535791.db2.gz PEFJGOSJQFDHGZ-AWEZNQCLSA-N -1 3 302.201 4.314 20 30 DIEDHM CCC(=O)Nc1ccc(C)c(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000915979938 1052573036 /nfs/dbraw/zinc/57/30/36/1052573036.db2.gz UJGFEFYKLQGUMK-UHFFFAOYSA-N -1 3 316.788 4.453 20 30 DIEDHM CCOc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1OC ZINC000915980944 1052573489 /nfs/dbraw/zinc/57/34/89/1052573489.db2.gz HZYFUZNMKLPWAE-UHFFFAOYSA-N -1 3 305.761 4.204 20 30 DIEDHM COc1ccc(F)cc1[C@@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000915981401 1052573993 /nfs/dbraw/zinc/57/39/93/1052573993.db2.gz RSOQZGXFCYUEFJ-DWOMLUCJSA-N -1 3 307.752 4.373 20 30 DIEDHM CC(=NNc1cccc(C)c1)c1cc(Br)ccc1[O-] ZINC000916255149 1052596307 /nfs/dbraw/zinc/59/63/07/1052596307.db2.gz FIPHHGNUDOBBHR-UHFFFAOYSA-N -1 3 319.202 4.299 20 30 DIEDHM CCC(C=Nn1c(=S)[n-]nc1SCc1ccccc1)CC ZINC000916368934 1052606149 /nfs/dbraw/zinc/60/61/49/1052606149.db2.gz WIMZVEVYXDBDFV-UHFFFAOYSA-N -1 3 320.487 4.129 20 30 DIEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1O/C(=N\[O-])c1cc(F)ccc1F ZINC001223890472 1052647923 /nfs/dbraw/zinc/64/79/23/1052647923.db2.gz VCLZVGJLQYUAHX-RVTYPFDBSA-N -1 3 309.356 4.498 20 30 DIEDHM CC(C)Oc1cc(F)c(F)cc1Nc1cc(C#N)ccc1[O-] ZINC001212227404 1052726720 /nfs/dbraw/zinc/72/67/20/1052726720.db2.gz IQUVPUAQXULVGK-UHFFFAOYSA-N -1 3 304.296 4.073 20 30 DIEDHM [O-]/N=C(/c1ccccc1)[C@H](OCC#CC1CC1)c1ccccc1 ZINC001224844694 1052730412 /nfs/dbraw/zinc/73/04/12/1052730412.db2.gz PFFSVIPDYPRNGO-GOBJLOIFSA-N -1 3 305.377 4.036 20 30 DIEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000917556431 1052738937 /nfs/dbraw/zinc/73/89/37/1052738937.db2.gz ADXAZXWFUAJMHP-LGQZLYSRSA-N -1 3 304.733 4.134 20 30 DIEDHM COc1cc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)ccc1[O-] ZINC000033474374 1052781064 /nfs/dbraw/zinc/78/10/64/1052781064.db2.gz VVXXPODCRXVROE-ALCCZGGFSA-N -1 3 322.282 4.316 20 30 DIEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2cccc(C(F)(F)F)c2)[n-]1 ZINC001225467304 1052792650 /nfs/dbraw/zinc/79/26/50/1052792650.db2.gz PZGLOCJNRYMMOS-JTQLQIEISA-N -1 3 322.286 4.126 20 30 DIEDHM C[C@H](Oc1cccc(/C=N/[O-])c1)c1cccc(Br)c1 ZINC001226113908 1052869522 /nfs/dbraw/zinc/86/95/22/1052869522.db2.gz BJIJETAXKWTUDM-MUOOZZNISA-N -1 3 320.186 4.397 20 30 DIEDHM [O-]/N=C/c1cccc(O[C@H]2CC[C@H](OCc3ccccc3)C2)c1 ZINC001226115950 1052869964 /nfs/dbraw/zinc/86/99/64/1052869964.db2.gz LDHGBURSALPYAS-AVDJQCOYSA-N -1 3 311.381 4.011 20 30 DIEDHM [O-]/N=C/c1cccc(OC2CC(c3ccccc3Cl)C2)c1 ZINC001226114706 1052870114 /nfs/dbraw/zinc/87/01/14/1052870114.db2.gz PKZXGNNPSHGQFM-YBFXNURJSA-N -1 3 301.773 4.473 20 30 DIEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1c([O-])ccc(C(C)=O)c1O ZINC001226483332 1052901406 /nfs/dbraw/zinc/90/14/06/1052901406.db2.gz WCTPPUXDPFVJEI-DETPVDSQSA-N -1 3 304.386 4.060 20 30 DIEDHM C=C[C@H](Oc1cc2c(C)cc(=O)oc2cc1[O-])c1ccccc1 ZINC001226538903 1052909038 /nfs/dbraw/zinc/90/90/38/1052909038.db2.gz WKURGCBOQWYCKK-INIZCTEOSA-N -1 3 308.333 4.113 20 30 DIEDHM Cc1cc(C)c([N+](=O)[O-])cc1N=Cc1cc(Cl)ccc1[O-] ZINC000920943486 1052955895 /nfs/dbraw/zinc/95/58/95/1052955895.db2.gz YLTIBNFFMRMTCR-UHFFFAOYSA-N -1 3 304.733 4.321 20 30 DIEDHM COc1cc(C(=O)/C=C\c2cccc(OC(C)C)c2)ccc1[O-] ZINC000921260470 1052966736 /nfs/dbraw/zinc/96/67/36/1052966736.db2.gz ADRMFGBONVUYPB-CLFYSBASSA-N -1 3 312.365 4.084 20 30 DIEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1ccccc1OC(F)(F)F ZINC001227350627 1052983277 /nfs/dbraw/zinc/98/32/77/1052983277.db2.gz OPKNMSDSNPLULC-JTQLQIEISA-N -1 3 323.270 4.302 20 30 DIEDHM C=CCC(CC=C)Oc1c([O-])cc(Br)cc1F ZINC001227586472 1053002708 /nfs/dbraw/zinc/00/27/08/1053002708.db2.gz ACNWCJAFRQBHOW-UHFFFAOYSA-N -1 3 301.155 4.193 20 30 DIEDHM [O-]c1ccccc1N=CC=Nc1ccccc1OC[C@@H]1CCCO1 ZINC001228125977 1053045692 /nfs/dbraw/zinc/04/56/92/1053045692.db2.gz WGKWOFSFLYHNOA-HNNXBMFYSA-N -1 3 324.380 4.055 20 30 DIEDHM C=C(C)C[C@@H](Oc1c([O-])ccc2c(C)cc(=O)oc21)C(=C)C ZINC001228624330 1053150153 /nfs/dbraw/zinc/15/01/53/1053150153.db2.gz ZWTQEKISWDMABY-OAHLLOKOSA-N -1 3 300.354 4.097 20 30 DIEDHM C[C@@H](Oc1cccc([O-])c1Br)c1ccccc1C#N ZINC001229142545 1053256933 /nfs/dbraw/zinc/25/69/33/1053256933.db2.gz PRENWLPTNNQKSE-SNVBAGLBSA-N -1 3 318.170 4.166 20 30 DIEDHM N#Cc1cc(NC(=S)Nc2cccc3ccccc32)ccc1[O-] ZINC001200103218 1053382650 /nfs/dbraw/zinc/38/26/50/1053382650.db2.gz DILCGFHGLRKCRN-UHFFFAOYSA-N -1 3 319.389 4.226 20 30 DIEDHM C#CC[C@@H](C)Oc1cc(C(=O)c2ccc(Cl)cc2)ccc1[O-] ZINC001230453178 1053541017 /nfs/dbraw/zinc/54/10/17/1053541017.db2.gz NYTJLKOACBZELB-GFCCVEGCSA-N -1 3 314.768 4.067 20 30 DIEDHM C[C@@H]1CC[C@@H](C(=O)N([O-])CCCCc2ccccc2)C[C@@H]1C ZINC001472619302 1053840104 /nfs/dbraw/zinc/84/01/04/1053840104.db2.gz GQMGCJSHRUQNBK-SOLBZPMBSA-N -1 3 303.446 4.299 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001436295753 1053841470 /nfs/dbraw/zinc/84/14/70/1053841470.db2.gz JAHGQCKXSAWYAS-ZDUSSCGKSA-N -1 3 317.738 4.258 20 30 DIEDHM N#CCCN(Cc1cc(Cl)ncc1[O-])C1CCCCCCC1 ZINC001233036397 1054173869 /nfs/dbraw/zinc/17/38/69/1054173869.db2.gz PLNVFZJKYBGMEX-UHFFFAOYSA-N -1 3 321.852 4.269 20 30 DIEDHM N#Cc1ccc(CN2CCC[C@@H]2c2ccc(Cl)s2)c([O-])c1 ZINC001233386063 1054255252 /nfs/dbraw/zinc/25/52/52/1054255252.db2.gz DVWJLIKVPQPVIV-CYBMUJFWSA-N -1 3 318.829 4.316 20 30 DIEDHM C[C@H](c1ccccc1Cl)N(C)Cc1ccc(C#N)cc1[O-] ZINC001233387658 1054256658 /nfs/dbraw/zinc/25/66/58/1054256658.db2.gz RYQQQIINTWSAIN-GFCCVEGCSA-N -1 3 300.789 4.110 20 30 DIEDHM N#CCCN(Cc1ccc(C#N)cc1[O-])C1CCCCCCC1 ZINC001233385566 1054257499 /nfs/dbraw/zinc/25/74/99/1054257499.db2.gz MMHRYMCOVLQVEH-UHFFFAOYSA-N -1 3 311.429 4.092 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCc2ccc(Cl)cc21 ZINC001233801929 1054361585 /nfs/dbraw/zinc/36/15/85/1054361585.db2.gz DSSWATNRUHOKCV-RPJLVFAOSA-N -1 3 317.772 4.223 20 30 DIEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2ccc(/C=N/[O-])cc2OC)C1 ZINC001233800454 1054361820 /nfs/dbraw/zinc/36/18/20/1054361820.db2.gz QPXOGSHESIMWBQ-SZCPIXPSSA-N -1 3 301.386 4.183 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001233802585 1054362761 /nfs/dbraw/zinc/36/27/61/1054362761.db2.gz HVQLKSBVVHDCSR-GHJCGQRCSA-N -1 3 303.402 4.241 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001233802714 1054364032 /nfs/dbraw/zinc/36/40/32/1054364032.db2.gz IGEMSSHORSBQLL-YIUHOJDASA-N -1 3 317.307 4.003 20 30 DIEDHM N#Cc1cc([O-])cc(O[C@@H]2CCc3cc(C(F)(F)F)ccc32)c1 ZINC001234144420 1054439583 /nfs/dbraw/zinc/43/95/83/1054439583.db2.gz NUXLFRYDJLJAJO-MRXNPFEDSA-N -1 3 319.282 4.349 20 30 DIEDHM C=C[C@@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)c1ccccc1 ZINC001234792804 1054592656 /nfs/dbraw/zinc/59/26/56/1054592656.db2.gz ITEQFSQRTZBBOA-MRXNPFEDSA-N -1 3 312.365 4.218 20 30 DIEDHM C=C[C@@H](C)O[N-]C(=O)/C(C)=C\c1c(Cl)cccc1Cl ZINC001452731668 1054712907 /nfs/dbraw/zinc/71/29/07/1054712907.db2.gz ALVPBVHPFQRVAC-HSTULFTRSA-N -1 3 300.185 4.019 20 30 DIEDHM CCCCCCCCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001538229818 1055570907 /nfs/dbraw/zinc/57/09/07/1055570907.db2.gz JVLMNUFQZQEMOE-UHFFFAOYSA-N -1 3 320.359 4.293 20 30 DIEDHM CCCCCCCCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001538229818 1055570918 /nfs/dbraw/zinc/57/09/18/1055570918.db2.gz JVLMNUFQZQEMOE-UHFFFAOYSA-N -1 3 320.359 4.293 20 30 DIEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(SC)ccc1[O-] ZINC001565727898 1055722965 /nfs/dbraw/zinc/72/29/65/1055722965.db2.gz SDIRBJQPCIRFJJ-UHFFFAOYSA-N -1 3 319.470 4.323 20 30 DIEDHM Cc1ccccc1[C@@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001649051617 1055768406 /nfs/dbraw/zinc/76/84/06/1055768406.db2.gz DHGOYLIITWQMEI-QGZVFWFLSA-N -1 3 311.425 4.339 20 30 DIEDHM CCCCCCN([O-])C(=O)c1c(C)onc1-c1ccccc1 ZINC001649052029 1055768757 /nfs/dbraw/zinc/76/87/57/1055768757.db2.gz QAFKNASKFCCGSF-UHFFFAOYSA-N -1 3 302.374 4.062 20 30 DIEDHM CCCCCCC[C@@H](C)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001597030464 1055777575 /nfs/dbraw/zinc/77/75/75/1055777575.db2.gz DIVZMKOWLCJYBS-CQSZACIVSA-N -1 3 309.425 4.187 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cc(Oc2ccccc2)ccn1 ZINC001649056998 1055788780 /nfs/dbraw/zinc/78/87/80/1055788780.db2.gz NVCYAILBCZRHAD-UHFFFAOYSA-N -1 3 314.385 4.286 20 30 DIEDHM CCCCN([O-])C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC001649061516 1055827687 /nfs/dbraw/zinc/82/76/87/1055827687.db2.gz PGDKCLGOIWDANJ-ZDUSSCGKSA-N -1 3 303.324 4.217 20 30 DIEDHM C=CCC(C)(C)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001569591927 1055866707 /nfs/dbraw/zinc/86/67/07/1055866707.db2.gz BWLZIQYBBMJPQO-UHFFFAOYSA-N -1 3 323.436 4.315 20 30 DIEDHM C=C(C)CO[N-]C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC001583434604 1056081183 /nfs/dbraw/zinc/08/11/83/1056081183.db2.gz ARZGRWHVJWWIMJ-UHFFFAOYSA-N -1 3 321.420 4.204 20 30 DIEDHM O=C(NC1CCCCC1)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001239919795 1056159469 /nfs/dbraw/zinc/15/94/69/1056159469.db2.gz HLOLHRSOCQLDQS-UHFFFAOYSA-N -1 3 322.408 4.224 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1ccc(Cl)cc1Cl ZINC001611655479 1056178522 /nfs/dbraw/zinc/17/85/22/1056178522.db2.gz FHPAANKSWHTYQY-UHFFFAOYSA-N -1 3 304.217 4.334 20 30 DIEDHM O=C(N([O-])Cc1ccccc1Cl)C1(C2CCCCC2)CC1 ZINC001611650911 1056178566 /nfs/dbraw/zinc/17/85/66/1056178566.db2.gz PVTGLBQABRTOJX-UHFFFAOYSA-N -1 3 307.821 4.418 20 30 DIEDHM CC1(C(=O)N([O-])Cc2ccccc2Cl)CCC(F)(F)CC1 ZINC001611650843 1056178733 /nfs/dbraw/zinc/17/87/33/1056178733.db2.gz MOZYBTYTXJGBCL-UHFFFAOYSA-N -1 3 317.763 4.273 20 30 DIEDHM O=C(N([O-])Cc1ccccc1Cl)C1(Cc2ccccc2)CC1 ZINC001611650957 1056179018 /nfs/dbraw/zinc/17/90/18/1056179018.db2.gz RXGQPUSNVKTJFG-UHFFFAOYSA-N -1 3 315.800 4.081 20 30 DIEDHM O=C(CCCc1cccs1)N([O-])CCCCc1ccccc1 ZINC001611653075 1056179035 /nfs/dbraw/zinc/17/90/35/1056179035.db2.gz BTIPXHLWEXWNOF-UHFFFAOYSA-N -1 3 317.454 4.312 20 30 DIEDHM O=C(Nc1ccccc1)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001240049262 1056283648 /nfs/dbraw/zinc/28/36/48/1056283648.db2.gz ZBUGBAVAAZTHID-UHFFFAOYSA-N -1 3 316.360 4.414 20 30 DIEDHM C=CCN(CCC1(C(=O)[O-])CCC1)Cc1ccc(Cl)s1 ZINC000903693777 1056322269 /nfs/dbraw/zinc/32/22/69/1056322269.db2.gz PKBCEALRDKCBSG-UHFFFAOYSA-N -1 3 313.850 4.035 20 30 DIEDHM CCCCCCCC[C@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001584912075 1056442015 /nfs/dbraw/zinc/44/20/15/1056442015.db2.gz XIHSQTRIHUNEMD-JTQLQIEISA-N -1 3 320.359 4.149 20 30 DIEDHM CCCCCCCC[C@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001584912075 1056442024 /nfs/dbraw/zinc/44/20/24/1056442024.db2.gz XIHSQTRIHUNEMD-JTQLQIEISA-N -1 3 320.359 4.149 20 30 DIEDHM COc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1CC#N ZINC001242157721 1057283853 /nfs/dbraw/zinc/28/38/53/1057283853.db2.gz LNEQHFKLJQTUSJ-UHFFFAOYSA-N -1 3 307.271 4.153 20 30 DIEDHM COc1ccc2ccc([O-])c(CN3CCCC(C)(C)[C@H]3C#N)c2c1 ZINC000766111794 1057346493 /nfs/dbraw/zinc/34/64/93/1057346493.db2.gz NJPOFIRLMWKCHX-LJQANCHMSA-N -1 3 324.424 4.068 20 30 DIEDHM N#CCCN(Cc1c([O-])cccc1F)C1CCCCCCC1 ZINC001137837313 1057443760 /nfs/dbraw/zinc/44/37/60/1057443760.db2.gz AVIUWNCZPWMCHL-UHFFFAOYSA-N -1 3 304.409 4.360 20 30 DIEDHM N#Cc1cnc(-c2cc([O-])cc(C(F)(F)F)c2)c2ccccc12 ZINC001242779809 1057472505 /nfs/dbraw/zinc/47/25/05/1057472505.db2.gz CCSUPIOJXNJWFV-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM CC(C)(C)C(=O)Nc1ccccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001243189228 1057597978 /nfs/dbraw/zinc/59/79/78/1057597978.db2.gz YDUAAVABOOARAW-RGVLZGJSSA-N -1 3 314.360 4.285 20 30 DIEDHM [O-]/N=C/c1ccc(-c2cccc(OCC(F)(F)F)c2)cc1F ZINC001243392250 1057668799 /nfs/dbraw/zinc/66/87/99/1057668799.db2.gz PBIPBYYIZIAZHU-DNTJNYDQSA-N -1 3 313.250 4.242 20 30 DIEDHM COc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1F ZINC000730590323 1057718273 /nfs/dbraw/zinc/71/82/73/1057718273.db2.gz MULLAQDGLCTNQI-FKVCUQLRSA-N -1 3 316.303 4.062 20 30 DIEDHM CC(=O)OCc1cccc(Cl)c1-c1ccc(/C(C)=N/[O-])cc1 ZINC001243722760 1057762199 /nfs/dbraw/zinc/76/21/99/1057762199.db2.gz BFQSYSJDZCPUOG-YBFXNURJSA-N -1 3 317.772 4.268 20 30 DIEDHM Cc1cc(-c2ccc(OC(F)(F)F)cc2[O-])cc(C)c1C#N ZINC001244466238 1057966671 /nfs/dbraw/zinc/96/66/71/1057966671.db2.gz UGVNJLJKKFWHHU-UHFFFAOYSA-N -1 3 307.271 4.446 20 30 DIEDHM C[C@H]1CC[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001559031110 1058938229 /nfs/dbraw/zinc/93/82/29/1058938229.db2.gz SELAUJURGXPATB-GXSJLCMTSA-N -1 3 302.201 4.147 20 30 DIEDHM C[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccccc1F ZINC001559033369 1058938794 /nfs/dbraw/zinc/93/87/94/1058938794.db2.gz GLECKRNHXRYXGN-LBPRGKRZSA-N -1 3 321.779 4.391 20 30 DIEDHM O=C(c1cc(Cl)c[nH]1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001559031228 1058939423 /nfs/dbraw/zinc/93/94/23/1058939423.db2.gz XKONJECQICVNSU-UHFFFAOYSA-N -1 3 319.575 4.007 20 30 DIEDHM O=C(CCCc1cccs1)N([O-])Cc1ccccc1Cl ZINC001559033582 1058940306 /nfs/dbraw/zinc/94/03/06/1058940306.db2.gz NWULDBCDZKIYNJ-UHFFFAOYSA-N -1 3 309.818 4.142 20 30 DIEDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001559036875 1058941155 /nfs/dbraw/zinc/94/11/55/1058941155.db2.gz ZWFIFDJXBHJDAF-VVHMCBODSA-N -1 3 309.409 4.240 20 30 DIEDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001559036873 1058941936 /nfs/dbraw/zinc/94/19/36/1058941936.db2.gz ZWFIFDJXBHJDAF-QUIPCFFLSA-N -1 3 309.409 4.240 20 30 DIEDHM CCCc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccc1Cl ZINC001559037260 1058942404 /nfs/dbraw/zinc/94/24/04/1058942404.db2.gz PQKXTERLENPZRS-UHFFFAOYSA-N -1 3 321.779 4.463 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](Cc1cccnc1)C1CCCC1 ZINC001559035229 1058943541 /nfs/dbraw/zinc/94/35/41/1058943541.db2.gz IHSCZVCKRDMXMS-GOSISDBHSA-N -1 3 318.461 4.229 20 30 DIEDHM N#Cc1cnoc1[N-]c1cc(F)cc(C(F)(F)F)c1Cl ZINC001250243361 1060725995 /nfs/dbraw/zinc/72/59/95/1060725995.db2.gz MZVVXCLBMOICCD-UHFFFAOYSA-N -1 3 305.618 4.101 20 30 DIEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001561412980 1060931465 /nfs/dbraw/zinc/93/14/65/1060931465.db2.gz ZTUNCTXKTRVAQW-JTQLQIEISA-N -1 3 322.257 4.017 20 30 DIEDHM C=CCc1cccc(-c2nc3ccc(OCC)cc3n2C)c1[O-] ZINC001250713160 1061036847 /nfs/dbraw/zinc/03/68/47/1061036847.db2.gz XPOLLFRXQYCFSB-UHFFFAOYSA-N -1 3 308.381 4.073 20 30 DIEDHM N#Cc1ccc(-c2nc3ccc(-c4ccccc4)cc3[nH]2)c([O-])c1 ZINC001251331980 1061318535 /nfs/dbraw/zinc/31/85/35/1061318535.db2.gz DPYZFISGCDTLBL-UHFFFAOYSA-N -1 3 311.344 4.474 20 30 DIEDHM C[C@H](C(=O)N([O-])CCCCc1ccccc1)c1cccs1 ZINC001457991361 1061536206 /nfs/dbraw/zinc/53/62/06/1061536206.db2.gz DXYBMNLJOYRQOQ-AWEZNQCLSA-N -1 3 303.427 4.092 20 30 DIEDHM CCCCCCN([O-])C(=O)CCCOc1ccc(C)cc1C ZINC001458009982 1061537159 /nfs/dbraw/zinc/53/71/59/1061537159.db2.gz IFEXEYUKTLFCTJ-UHFFFAOYSA-N -1 3 307.434 4.261 20 30 DIEDHM CC[C@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001458003565 1061537840 /nfs/dbraw/zinc/53/78/40/1061537840.db2.gz QHOSNTRNVZJTMG-HNNXBMFYSA-N -1 3 303.789 4.252 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC001458011785 1061539823 /nfs/dbraw/zinc/53/98/23/1061539823.db2.gz QBEXMBUZTRJODT-QGZVFWFLSA-N -1 3 304.434 4.154 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1nc(-c2ccsc2)oc1C ZINC001458012388 1061540842 /nfs/dbraw/zinc/54/08/42/1061540842.db2.gz UVRFLTHVULQHNZ-UHFFFAOYSA-N -1 3 322.430 4.052 20 30 DIEDHM O=C([C@@H]1CCCCC1(F)F)N([O-])CCCCc1ccccc1 ZINC001458011255 1061541378 /nfs/dbraw/zinc/54/13/78/1061541378.db2.gz YDTPOLYPCRAYQA-HNNXBMFYSA-N -1 3 311.372 4.053 20 30 DIEDHM CCCCCCCC[C@@H](O)CNc1ccc([O-])c(F)c1F ZINC001252132198 1061592902 /nfs/dbraw/zinc/59/29/02/1061592902.db2.gz BXARSQWMAQBYCG-GFCCVEGCSA-N -1 3 301.377 4.194 20 30 DIEDHM C=CCN(CC1CCCCC1)C(=O)c1cccc(CC)c1[O-] ZINC001465093475 1061678225 /nfs/dbraw/zinc/67/82/25/1061678225.db2.gz UUJYRQNRNRVHGD-UHFFFAOYSA-N -1 3 301.430 4.163 20 30 DIEDHM C[C@@H]1C[C@H]1c1nnc(-c2cc([O-])cc(-c3cccc(C#N)c3)c2)o1 ZINC001256771318 1062971609 /nfs/dbraw/zinc/97/16/09/1062971609.db2.gz FCBMCQJJWUIVQL-PIGZYNQJSA-N -1 3 317.348 4.104 20 30 DIEDHM Cc1cc(C#N)cc(C)c1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC001472477217 1063087597 /nfs/dbraw/zinc/08/75/97/1063087597.db2.gz GLPAOKYVLPYAPG-UHFFFAOYSA-N -1 3 322.408 4.431 20 30 DIEDHM C=CCCC(C)(C)CNC(=O)c1ccc(OCCCC)cc1[O-] ZINC001472608826 1063105079 /nfs/dbraw/zinc/10/50/79/1063105079.db2.gz KMJYCCFSFYYOFS-UHFFFAOYSA-N -1 3 319.445 4.293 20 30 DIEDHM C[C@H](CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001472615842 1063108014 /nfs/dbraw/zinc/10/80/14/1063108014.db2.gz HDICLXGJJLHNET-SECBINFHSA-N -1 3 302.201 4.147 20 30 DIEDHM CCCCCCN([O-])C(=O)c1coc(-c2ccccc2Cl)n1 ZINC001472620995 1063110457 /nfs/dbraw/zinc/11/04/57/1063110457.db2.gz BNBFBOGLDIZLRB-UHFFFAOYSA-N -1 3 322.792 4.407 20 30 DIEDHM CCCCCCN([O-])C(=O)CCc1ncc(-c2ccccc2)o1 ZINC001472621175 1063110539 /nfs/dbraw/zinc/11/05/39/1063110539.db2.gz JRSGGUJVUOFFMI-UHFFFAOYSA-N -1 3 316.401 4.072 20 30 DIEDHM CC(C)Cc1ccccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001472622555 1063111632 /nfs/dbraw/zinc/11/16/32/1063111632.db2.gz LNAOTKHVJZHISX-UHFFFAOYSA-N -1 3 301.361 4.056 20 30 DIEDHM CCCCCCC[C@@H](CC(C)C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001258713536 1063771360 /nfs/dbraw/zinc/77/13/60/1063771360.db2.gz ALMYPYFRPFMCNY-INIZCTEOSA-N -1 3 321.442 4.309 20 30 DIEDHM CCCCCCC[C@H](C)CNC(=O)c1c([O-])cccc1OC ZINC001291885296 1064748657 /nfs/dbraw/zinc/74/86/57/1064748657.db2.gz WJWCLUJSDDYNMV-AWEZNQCLSA-N -1 3 307.434 4.127 20 30 DIEDHM O=C(Cc1ccccc1Cl)N([O-])CCCCc1ccccc1 ZINC001306896478 1065198798 /nfs/dbraw/zinc/19/87/98/1065198798.db2.gz YSRPUBMZBNMTKB-UHFFFAOYSA-N -1 3 317.816 4.123 20 30 DIEDHM O=C(C[C@H]1CCCC1(F)F)N([O-])CCCCc1ccccc1 ZINC001306896134 1065198864 /nfs/dbraw/zinc/19/88/64/1065198864.db2.gz LCCIPENCKILMHB-OAHLLOKOSA-N -1 3 311.372 4.053 20 30 DIEDHM O=C(C1CCC(C2CC2)CC1)N([O-])Cc1ccccc1Cl ZINC001306895249 1065199088 /nfs/dbraw/zinc/19/90/88/1065199088.db2.gz WWGWWMBQOAGBDO-UHFFFAOYSA-N -1 3 307.821 4.274 20 30 DIEDHM CC[C@H]1CC[C@H](C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC001306896216 1065199282 /nfs/dbraw/zinc/19/92/82/1065199282.db2.gz NZWQODSXULIPJA-SAABIXHNSA-N -1 3 303.446 4.444 20 30 DIEDHM O=C(/C=C\C=C(Cl)Cl)N([O-])Cc1cccc2ccccc21 ZINC001306901260 1065200217 /nfs/dbraw/zinc/20/02/17/1065200217.db2.gz YQZBZWLKBDJXRG-WMZJFQQLSA-N -1 3 322.191 4.433 20 30 DIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3ccsn3)c(C#N)c2[C@@H]1C ZINC000297711431 132030038 /nfs/dbraw/zinc/03/00/38/132030038.db2.gz GJNUVXYYVLEOLD-RKDXNWHRSA-N -1 3 317.439 4.014 20 30 DIEDHM Cc1noc(C)c1C[C@H](C)/N=C/c1c([O-])ccc2ccccc21 ZINC000150937825 332675703 /nfs/dbraw/zinc/67/57/03/332675703.db2.gz VAIKIRQPBZAPNJ-DQAKUKQTSA-N -1 3 308.381 4.200 20 30 DIEDHM C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187801953 333238192 /nfs/dbraw/zinc/23/81/92/333238192.db2.gz VHIMIOARNZTQFY-WBMJQRKESA-N -1 3 316.351 4.366 20 30 DIEDHM C=CCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000339090664 333508351 /nfs/dbraw/zinc/50/83/51/333508351.db2.gz FXOKFFATAIEOSE-UHFFFAOYSA-N -1 3 318.423 4.466 20 30 DIEDHM C[C@H]1Cc2sc([N-]C(=O)c3cncs3)c(C#N)c2[C@H](C)C1 ZINC000411007300 333620027 /nfs/dbraw/zinc/62/00/27/333620027.db2.gz GCFNVOREEZBUOL-RKDXNWHRSA-N -1 3 317.439 4.014 20 30 DIEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2sccc2F)s1 ZINC000411007950 333620247 /nfs/dbraw/zinc/62/02/47/333620247.db2.gz QNZDKEMYNUTLMT-UHFFFAOYSA-N -1 3 308.403 4.370 20 30 DIEDHM CCCCCCC[C@@H](CC(=O)[O-])NCc1cccnc1Cl ZINC000277214867 334087154 /nfs/dbraw/zinc/08/71/54/334087154.db2.gz HKHUYIVRYGDZSZ-AWEZNQCLSA-N -1 3 312.841 4.028 20 30 DIEDHM Cc1c(Cl)cc(F)c([N-]C(=O)c2ccc(C#N)s2)c1F ZINC000534926426 334349102 /nfs/dbraw/zinc/34/91/02/334349102.db2.gz QNTQZTINULQTTQ-UHFFFAOYSA-N -1 3 312.728 4.112 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2nc(C(C)C)oc2C)c1C#N ZINC000341930678 334495901 /nfs/dbraw/zinc/49/59/01/334495901.db2.gz QNWOZOAUADCDRU-UHFFFAOYSA-N -1 3 317.414 4.163 20 30 DIEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000328831095 334758523 /nfs/dbraw/zinc/75/85/23/334758523.db2.gz KWACXZLYPANRLC-MELADBBJSA-N -1 3 316.401 4.274 20 30 DIEDHM Cc1c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cnn1C(C)C ZINC000330408619 334779225 /nfs/dbraw/zinc/77/92/25/334779225.db2.gz SCKFTZOCXVNCLR-UHFFFAOYSA-N -1 3 315.417 4.412 20 30 DIEDHM CCc1noc(C)c1[N-]C(=O)c1sc(C(C)(C)C)nc1C ZINC000330444416 334785273 /nfs/dbraw/zinc/78/52/73/334785273.db2.gz CEZTUWZFUFUCJE-UHFFFAOYSA-N -1 3 307.419 4.244 20 30 DIEDHM Cc1cc([O-])ccc1[NH+]=C([O-])Nc1ncc(C(C)(C)C)s1 ZINC000331302627 334855926 /nfs/dbraw/zinc/85/59/26/334855926.db2.gz XIZVLLFJGAEHCG-UHFFFAOYSA-N -1 3 305.403 4.112 20 30 DIEDHM C=CCN(CCC#N)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000572503982 338495359 /nfs/dbraw/zinc/49/53/59/338495359.db2.gz UOVZMXTZIPCCET-UHFFFAOYSA-N -1 3 314.429 4.181 20 30 DIEDHM N#CC(=C([O-])c1cc[nH]c1C1CCC1)c1nccc2ccccc21 ZINC000584355151 336077330 /nfs/dbraw/zinc/07/73/30/336077330.db2.gz MGGZHECIQRJUTA-QGZVFWFLSA-N -1 3 315.376 4.320 20 30 DIEDHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329951659 336099275 /nfs/dbraw/zinc/09/92/75/336099275.db2.gz MYBFUDXZYMEVKU-SWLSCSKDSA-N -1 3 316.426 4.113 20 30 DIEDHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329951660 336099294 /nfs/dbraw/zinc/09/92/94/336099294.db2.gz 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/nfs/dbraw/zinc/28/62/82/338286282.db2.gz MPNIQCDZPQJGAP-UHFFFAOYSA-N -1 3 308.381 4.063 20 30 DIEDHM CCc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464403429 339141504 /nfs/dbraw/zinc/14/15/04/339141504.db2.gz UOAHGMCWITZDMM-AWEZNQCLSA-N -1 3 318.298 4.153 20 30 DIEDHM Cc1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000464463335 339142741 /nfs/dbraw/zinc/14/27/41/339142741.db2.gz FNBCGSGIFLXHRO-AWEZNQCLSA-N -1 3 318.298 4.207 20 30 DIEDHM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)cc(C)c1F ZINC000483214925 339656618 /nfs/dbraw/zinc/65/66/18/339656618.db2.gz YYGMUNXKLWGLAZ-KRWDZBQOSA-N -1 3 318.351 4.481 20 30 DIEDHM CC(C)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000483244358 339657717 /nfs/dbraw/zinc/65/77/17/339657717.db2.gz NCLGQCLYMVJMBN-MRXNPFEDSA-N -1 3 315.376 4.243 20 30 DIEDHM Cc1csc(C(=O)[N-]c2sc3c(c2C#N)CCC3)c1Cl ZINC000485609796 339707275 /nfs/dbraw/zinc/70/72/75/339707275.db2.gz BAWGDYZLUAMPPB-UHFFFAOYSA-N -1 3 322.842 4.384 20 30 DIEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc([O-])c(C)c1 ZINC000499766210 340044360 /nfs/dbraw/zinc/04/43/60/340044360.db2.gz JGQAHQSNPYZHIT-UHFFFAOYSA-N -1 3 321.829 4.244 20 30 DIEDHM C=CCCOCCCCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000501943434 340091166 /nfs/dbraw/zinc/09/11/66/340091166.db2.gz CHUTWFRTURBCRG-UHFFFAOYSA-N -1 3 319.445 4.391 20 30 DIEDHM CC(C)(C)c1ccc(NC(=O)CCc2ccc(C#N)cc2)c([O-])c1 ZINC000501946485 340091195 /nfs/dbraw/zinc/09/11/95/340091195.db2.gz LZEMVFFDRSUKPY-UHFFFAOYSA-N -1 3 322.408 4.133 20 30 DIEDHM C=CCCc1ccccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000504289229 340144493 /nfs/dbraw/zinc/14/44/93/340144493.db2.gz KYBZJTQNOZNLPR-UHFFFAOYSA-N -1 3 307.353 4.041 20 30 DIEDHM C=CCCc1ccccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000504289229 340144494 /nfs/dbraw/zinc/14/44/94/340144494.db2.gz KYBZJTQNOZNLPR-UHFFFAOYSA-N -1 3 307.353 4.041 20 30 DIEDHM CC(C)c1cc(C(=O)NCCCCC#N)c([O-])c(C(C)C)c1 ZINC000505047831 340160035 /nfs/dbraw/zinc/16/00/35/340160035.db2.gz JDNYDEGKPKYXLA-UHFFFAOYSA-N -1 3 302.418 4.063 20 30 DIEDHM CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc([O-])c1Cl ZINC000507242080 340215355 /nfs/dbraw/zinc/21/53/55/340215355.db2.gz CMLVYOHUDIXKCH-UHFFFAOYSA-N -1 3 314.816 4.328 20 30 DIEDHM Cc1ccc2c(CSc3ccccc3C#N)ccc([O-])c2n1 ZINC000509060178 340259958 /nfs/dbraw/zinc/25/99/58/340259958.db2.gz IUHTXZOHYWDXAB-UHFFFAOYSA-N -1 3 306.390 4.413 20 30 DIEDHM Cc1ccc2c(c1C)OC[C@H]2/N=C/c1cc(Cl)ccc1[O-] ZINC000728226211 1036117270 /nfs/dbraw/zinc/11/72/70/1036117270.db2.gz KQHJSZORACTFBQ-ODGHKMFZSA-N -1 3 301.773 4.215 20 30 DIEDHM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000728230664 1036160559 /nfs/dbraw/zinc/16/05/59/1036160559.db2.gz DKIKKZUIBRLQTF-NTMALXAHSA-N -1 3 318.376 4.295 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cccc(Br)c2)ccc1[O-] ZINC000728231123 1036171025 /nfs/dbraw/zinc/17/10/25/1036171025.db2.gz IEJOWPPHTHGRRM-ALCCZGGFSA-N -1 3 317.182 4.359 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2ccc(OC(F)F)cc2)ccc1[O-] ZINC000728231264 1036185788 /nfs/dbraw/zinc/18/57/88/1036185788.db2.gz KZNNEJGQAQKIFO-XBXARRHUSA-N -1 3 304.292 4.198 20 30 DIEDHM Cc1cc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000728232485 1036204537 /nfs/dbraw/zinc/20/45/37/1036204537.db2.gz ULMVIOYWSJCLKL-DLYLGUBQSA-N -1 3 309.321 4.061 20 30 DIEDHM N#Cc1cc(Nc2cccc(F)c2[O-])ccc1N1CCCCC1 ZINC001210200076 1036499248 /nfs/dbraw/zinc/49/92/48/1036499248.db2.gz VMXGXFSTEMZHHC-UHFFFAOYSA-N -1 3 311.360 4.137 20 30 DIEDHM N#Cc1ncc(Nc2cccc(Cl)c2[O-])cc1C(F)(F)F ZINC001210219166 1036536242 /nfs/dbraw/zinc/53/62/42/1036536242.db2.gz PKIKODVCJDTWCW-UHFFFAOYSA-N -1 3 313.666 4.075 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ncc(-c2ccccc2)cn1 ZINC000588460226 1038257484 /nfs/dbraw/zinc/25/74/84/1038257484.db2.gz WMZJTBWHZWNJQG-UKWGHVSLSA-N -1 3 323.783 4.122 20 30 DIEDHM CCCCCCCCc1nnc([N-]C(=O)c2cscn2)s1 ZINC000728463757 1038555509 /nfs/dbraw/zinc/55/55/09/1038555509.db2.gz YQMAWRZWOQPFNH-UHFFFAOYSA-N -1 3 324.475 4.150 20 30 DIEDHM CCc1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)o1 ZINC000176680830 1038693304 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CC(C)c1ccc(C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000331235498 1041754634 /nfs/dbraw/zinc/75/46/34/1041754634.db2.gz LSIUAIVOTXAOBH-RHSMWYFYSA-N -1 3 305.418 4.024 20 30 DIEDHM CCC(N=Nc1ccc(F)c(F)c1F)c1ccc([O-])c(F)c1 ZINC000814945727 1041894663 /nfs/dbraw/zinc/89/46/63/1041894663.db2.gz NDLOKIKZWKFKKI-UHFFFAOYSA-N -1 3 312.266 4.175 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-]C(C)(C)c1cccc(Cl)c1F ZINC000816161673 1042027125 /nfs/dbraw/zinc/02/71/25/1042027125.db2.gz ATEUKMTZMIOGFH-UHFFFAOYSA-N -1 3 305.727 4.042 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1C ZINC000816500822 1042059834 /nfs/dbraw/zinc/05/98/34/1042059834.db2.gz JPDMRLQYCJCAIH-LBPRGKRZSA-N -1 3 321.289 4.316 20 30 DIEDHM N#CCCN(Cc1cc2oc3ccccc3c2cc1[O-])CC1CC1 ZINC000728904718 1042308220 /nfs/dbraw/zinc/30/82/20/1042308220.db2.gz VMPZTNCAIYBQSJ-UHFFFAOYSA-N -1 3 320.392 4.417 20 30 DIEDHM Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(C)s1 ZINC000047375968 1042477854 /nfs/dbraw/zinc/47/78/54/1042477854.db2.gz XPZBQRNJPJIWQI-OAHLLOKOSA-N -1 3 306.390 4.403 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccc3c(c2)CC(C)(C)O3)ccc1[O-] ZINC000729151002 1042509861 /nfs/dbraw/zinc/50/98/61/1042509861.db2.gz NRHVIYUJQYBYTJ-DAXSKMNVSA-N -1 3 308.377 4.310 20 30 DIEDHM CC(C)c1ccc(C(=O)NC2(C(N)=O)CCCCC2)c([O-])c1 ZINC000331224231 1043112386 /nfs/dbraw/zinc/11/23/86/1043112386.db2.gz BCNXRJVYILMFST-UHFFFAOYSA-N -1 3 304.390 4.058 20 30 DIEDHM Cc1[nH]c2ccccc2c1C(=O)/C=C\c1c(F)ccc([O-])c1F ZINC000794936203 1043240247 /nfs/dbraw/zinc/24/02/47/1043240247.db2.gz CVQPSIHLQBTBHS-VURMDHGXSA-N -1 3 313.303 4.356 20 30 DIEDHM Cc1cccc2c1[C@@H](C)/C(=C/c1c(F)ccc([O-])c1F)C2=O ZINC000794944457 1043242494 /nfs/dbraw/zinc/24/24/94/1043242494.db2.gz BSDYSXZZRONGSQ-UVIKPUKZSA-N -1 3 300.304 4.362 20 30 DIEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1coc2ccccc12 ZINC000794944780 1043246820 /nfs/dbraw/zinc/24/68/20/1043246820.db2.gz DJJYQPRKXQBQRS-ALCCZGGFSA-N -1 3 300.260 4.313 20 30 DIEDHM O=C1c2cccc3c2[C@@H](CCC3)/C1=C/c1c(F)ccc([O-])c1F 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DIEDHM C[C@H](Nc1cccc(OCCCC#N)c1)c1c([O-])cccc1F ZINC000886566619 1044663232 /nfs/dbraw/zinc/66/32/32/1044663232.db2.gz VBKIGDDRRLPTLD-ZDUSSCGKSA-N -1 3 314.360 4.387 20 30 DIEDHM C=CCS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000114756484 1045012100 /nfs/dbraw/zinc/01/21/00/1045012100.db2.gz BWEXIQMIDRRZEJ-SECBINFHSA-N -1 3 318.423 4.225 20 30 DIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C)c(C(F)(F)F)c2)n1 ZINC000528910381 1045426960 /nfs/dbraw/zinc/42/69/60/1045426960.db2.gz REJRZCTZZONWDT-NSHDSACASA-N -1 3 324.327 4.269 20 30 DIEDHM Cc1ccc(F)cc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091638 1045603062 /nfs/dbraw/zinc/60/30/62/1045603062.db2.gz FNGOEJWLGMAQQJ-UHFFFAOYSA-N -1 3 309.340 4.319 20 30 DIEDHM O=C([C@H]1CCC(F)(F)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900095799 1045604105 /nfs/dbraw/zinc/60/41/05/1045604105.db2.gz JZGRXJBFQFPJPJ-VIFPVBQESA-N -1 3 324.154 4.147 20 30 DIEDHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096146 1045604155 /nfs/dbraw/zinc/60/41/55/1045604155.db2.gz TXGIPPWOGFRTEE-WDNDVIMCSA-N -1 3 314.212 4.147 20 30 DIEDHM N#CC(=C([O-])c1cccc2ccccc21)c1cnc2ccccc2n1 ZINC000190909976 1045630351 /nfs/dbraw/zinc/63/03/51/1045630351.db2.gz LKRKLUPXGKRMGA-QGZVFWFLSA-N -1 3 323.355 4.273 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2ccc(-c3cnn(C)c3)s2)ccc1[O-] ZINC000800793640 1045649370 /nfs/dbraw/zinc/64/93/70/1045649370.db2.gz NLVBBHCYNKONGC-QPJJXVBHSA-N -1 3 324.405 4.059 20 30 DIEDHM C[C@@H](CC(=O)N([O-])Cc1cccc2ccccc21)n1cccc1 ZINC000901369687 1045709317 /nfs/dbraw/zinc/70/93/17/1045709317.db2.gz FLWOUKCIEOMAJN-HNNXBMFYSA-N -1 3 308.381 4.010 20 30 DIEDHM CCc1ccc([C@@H](C)CC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901372437 1045711597 /nfs/dbraw/zinc/71/15/97/1045711597.db2.gz ZCWKEWJIXSAWHO-AWEZNQCLSA-N -1 3 315.388 4.300 20 30 DIEDHM CC[C@H](Cc1ccccc1C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372037 1045711818 /nfs/dbraw/zinc/71/18/18/1045711818.db2.gz OAGDYVPIVWPXKE-MRXNPFEDSA-N -1 3 315.388 4.121 20 30 DIEDHM O=C(CCc1ccccc1F)N([O-])Cc1cccc2ccccc21 ZINC000901370904 1045712000 /nfs/dbraw/zinc/71/20/00/1045712000.db2.gz NTXYLAWUYVOFJX-UHFFFAOYSA-N -1 3 323.367 4.330 20 30 DIEDHM O=C([C@@H]1CC[C@@H](c2ccccc2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901372633 1045712560 /nfs/dbraw/zinc/71/25/60/1045712560.db2.gz JPPBITKQWJQMRM-IAGOWNOFSA-N -1 3 313.372 4.127 20 30 DIEDHM O=C(c1ccoc1C1CC1)N([O-])Cc1cccc2ccccc21 ZINC000901371150 1045712887 /nfs/dbraw/zinc/71/28/87/1045712887.db2.gz NQTMORMXIHLMKO-UHFFFAOYSA-N -1 3 307.349 4.342 20 30 DIEDHM CC(C)[C@H](Cc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372394 1045712906 /nfs/dbraw/zinc/71/29/06/1045712906.db2.gz YAPXXJIEYUIGDE-SFHVURJKSA-N -1 3 315.388 4.058 20 30 DIEDHM CC(C)(CC(=O)N([O-])Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000901372207 1045713191 /nfs/dbraw/zinc/71/31/91/1045713191.db2.gz URDZLNVNDDJKKP-UHFFFAOYSA-N -1 3 319.351 4.051 20 30 DIEDHM C[C@@H](CCCc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372077 1045713672 /nfs/dbraw/zinc/71/36/72/1045713672.db2.gz PIKBQNUUKDAWSP-HNNXBMFYSA-N -1 3 315.388 4.203 20 30 DIEDHM O=C(CCc1ccc2ccccc2c1)N([O-])Cc1ccc(F)cc1 ZINC000901374815 1045714048 /nfs/dbraw/zinc/71/40/48/1045714048.db2.gz SMJNTGZEDLZSHC-UHFFFAOYSA-N -1 3 323.367 4.330 20 30 DIEDHM Cc1c2cc(F)ccc2oc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376901 1045714643 /nfs/dbraw/zinc/71/46/43/1045714643.db2.gz ZPVNHDJIEBTGKE-UHFFFAOYSA-N -1 3 317.291 4.051 20 30 DIEDHM CC(C)[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901374274 1045715191 /nfs/dbraw/zinc/71/51/91/1045715191.db2.gz HVTFHKLCUAFCMU-SFHVURJKSA-N -1 3 315.388 4.373 20 30 DIEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1Cl ZINC000901374178 1045715407 /nfs/dbraw/zinc/71/54/07/1045715407.db2.gz GEEZAVGPGZMOGN-UHFFFAOYSA-N -1 3 321.779 4.175 20 30 DIEDHM Cc1cscc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378012 1045715436 /nfs/dbraw/zinc/71/54/36/1045715436.db2.gz GPDBEEBQFVEBBD-UHFFFAOYSA-N -1 3 316.209 4.395 20 30 DIEDHM CCC1(C(=O)N([O-])Cc2ccc(F)cc2)CCC(F)(F)CC1 ZINC000901372937 1045715855 /nfs/dbraw/zinc/71/58/55/1045715855.db2.gz PSOISAWYGPCXND-UHFFFAOYSA-N -1 3 315.335 4.149 20 30 DIEDHM CCC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCC1 ZINC000901378254 1045716026 /nfs/dbraw/zinc/71/60/26/1045716026.db2.gz JPLMRCWZFWJRTB-UHFFFAOYSA-N -1 3 302.201 4.292 20 30 DIEDHM O=C([C@@H]1C[C@H]1C1CCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379422 1045716914 /nfs/dbraw/zinc/71/69/14/1045716914.db2.gz XZKSPGBLNJTKSY-UONOGXRCSA-N -1 3 314.212 4.147 20 30 DIEDHM Cc1nc(Cl)ccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000802034395 1045879493 /nfs/dbraw/zinc/87/94/93/1045879493.db2.gz LXUXQVPCLUJKCE-CQSZACIVSA-N -1 3 321.767 4.082 20 30 DIEDHM Cc1cc(C(=O)C=Cc2c[nH]nc2-c2ccccc2F)ccc1[O-] ZINC000755701847 1046008396 /nfs/dbraw/zinc/00/83/96/1046008396.db2.gz XTDVPGBNYMLYJV-CLFYSBASSA-N -1 3 322.339 4.126 20 30 DIEDHM CCCCC(N=Nc1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000757583966 1046188925 /nfs/dbraw/zinc/18/89/25/1046188925.db2.gz OMEHQTGNIFOPQW-UHFFFAOYSA-N -1 3 320.396 4.342 20 30 DIEDHM CC(C)c1ncc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)s1 ZINC000758431365 1046268377 /nfs/dbraw/zinc/26/83/77/1046268377.db2.gz XIGJWWSVRMLOFH-ISAHRAOESA-N -1 3 317.385 4.495 20 30 DIEDHM CC(=[NH+][N-]c1cccc(C)c1)c1ccc(N2CCCC2)cc1[O-] ZINC000748246339 1046358808 /nfs/dbraw/zinc/35/88/08/1046358808.db2.gz MRPANXBWPHNLRR-UHFFFAOYSA-N -1 3 309.413 4.137 20 30 DIEDHM COc1cc(C(=O)/C=C\c2cccc(Cl)c2F)ccc1[O-] ZINC000759667277 1046369657 /nfs/dbraw/zinc/36/96/57/1046369657.db2.gz RKZIAYKYNTUZGH-ALCCZGGFSA-N -1 3 306.720 4.089 20 30 DIEDHM C#CCN(Cc1c([O-])cccc1Cl)[C@@H]1CCc2ccccc21 ZINC001140341359 1046666220 /nfs/dbraw/zinc/66/62/20/1046666220.db2.gz JWFKYAJJYXIQJM-GOSISDBHSA-N -1 3 311.812 4.168 20 30 DIEDHM Cc1scc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1C ZINC000678640663 1046683299 /nfs/dbraw/zinc/68/32/99/1046683299.db2.gz OEAYDZZNKCLHRK-CQSZACIVSA-N -1 3 306.390 4.403 20 30 DIEDHM C=CCN(Cc1cccc([O-])c1Br)C1CCCCC1 ZINC001140555773 1046779831 /nfs/dbraw/zinc/77/98/31/1046779831.db2.gz VZVADMDAAPEDAP-UHFFFAOYSA-N -1 3 324.262 4.475 20 30 DIEDHM CC[C@H](CC1CCCC1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000072567643 1046797620 /nfs/dbraw/zinc/79/76/20/1046797620.db2.gz OGYUCLVVCZOPIP-SECBINFHSA-N -1 3 304.316 4.018 20 30 DIEDHM CC[C@H](CC1CCCC1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000072567643 1046797634 /nfs/dbraw/zinc/79/76/34/1046797634.db2.gz OGYUCLVVCZOPIP-SECBINFHSA-N -1 3 304.316 4.018 20 30 DIEDHM CC(=NNc1cccc([N+](=O)[O-])c1C)c1c(C)cc(C)cc1[O-] ZINC000799879348 1047066304 /nfs/dbraw/zinc/06/63/04/1047066304.db2.gz ZDCDQGQBZLFKRI-UHFFFAOYSA-N -1 3 313.357 4.062 20 30 DIEDHM C=CCN(Cc1ccccc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC001141268889 1047069094 /nfs/dbraw/zinc/06/90/94/1047069094.db2.gz JIURMZLFZCKQJK-UHFFFAOYSA-N -1 3 317.388 4.374 20 30 DIEDHM COc1cccc(NN=C(C)c2ccc3ccccc3c2[O-])c1 ZINC000725853903 1047322165 /nfs/dbraw/zinc/32/21/65/1047322165.db2.gz WRQPAYBTTYKSCX-UHFFFAOYSA-N -1 3 306.365 4.390 20 30 DIEDHM N#CC(=C([O-])C=CC1CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000842802981 1047505308 /nfs/dbraw/zinc/50/53/08/1047505308.db2.gz KTPBXTYIHNUOCG-SZZPACECSA-N -1 3 308.303 4.023 20 30 DIEDHM C=CCC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC001151695697 1047599925 /nfs/dbraw/zinc/59/99/25/1047599925.db2.gz YHFDEZVUGYYSSD-SFHVURJKSA-N -1 3 323.392 4.032 20 30 DIEDHM C=CCC1(CNC(=O)c2ccc(C(C)C)cc2[O-])CCCC1 ZINC001157766164 1047753204 /nfs/dbraw/zinc/75/32/04/1047753204.db2.gz DAKZNFJBGLUSOU-UHFFFAOYSA-N -1 3 301.430 4.382 20 30 DIEDHM CCCCCCN([O-])C(=O)CSCc1ccc(Cl)cc1 ZINC001184305548 1048022317 /nfs/dbraw/zinc/02/23/17/1048022317.db2.gz LLOAHFGDTSXFGO-UHFFFAOYSA-N -1 3 315.866 4.371 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1ccc(OCC(C)C)cc1 ZINC001184305531 1048022802 /nfs/dbraw/zinc/02/28/02/1048022802.db2.gz KYRFVTIDGUPBEY-UHFFFAOYSA-N -1 3 307.434 4.062 20 30 DIEDHM O=C(C[C@@H]1CCCC1(F)F)N([O-])Cc1cccc2ccccc21 ZINC001184340522 1048032472 /nfs/dbraw/zinc/03/24/72/1048032472.db2.gz PKSSMPJWJWLTPP-HNNXBMFYSA-N -1 3 319.351 4.383 20 30 DIEDHM O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N([O-])Cc1ccc(F)cc1 ZINC001184349142 1048033463 /nfs/dbraw/zinc/03/34/63/1048033463.db2.gz WUEAOQVYJGTSOQ-JKSUJKDBSA-N -1 3 319.763 4.001 20 30 DIEDHM CC(C)COc1cc(F)cc(Nc2cc(C#N)ccc2[O-])c1 ZINC001175061092 1048088748 /nfs/dbraw/zinc/08/87/48/1048088748.db2.gz UMFVQMGMJSJYAP-UHFFFAOYSA-N -1 3 300.333 4.181 20 30 DIEDHM CCCCN([O-])C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001161832975 1048180919 /nfs/dbraw/zinc/18/09/19/1048180919.db2.gz VLTYABCCMSQPGW-UHFFFAOYSA-N -1 3 304.217 4.289 20 30 DIEDHM O=C(c1csc2c1CCCC2)N([O-])Cc1ccccc1Cl ZINC001161801712 1048172943 /nfs/dbraw/zinc/17/29/43/1048172943.db2.gz BCVOKMHTNJUDCA-UHFFFAOYSA-N -1 3 321.829 4.312 20 30 DIEDHM CS[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001161807824 1048175811 /nfs/dbraw/zinc/17/58/11/1048175811.db2.gz OXVUIFPBQXAHMR-OAHLLOKOSA-N -1 3 321.829 4.162 20 30 DIEDHM N#Cc1ccc(C(F)(F)F)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268539 1048246912 /nfs/dbraw/zinc/24/69/12/1048246912.db2.gz SOZBLPVMIGFSGZ-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001187153721 1048380150 /nfs/dbraw/zinc/38/01/50/1048380150.db2.gz XNVRCXJUXILNTM-UHFFFAOYSA-N -1 3 322.151 4.215 20 30 DIEDHM CC(C)(C)c1noc([N-]C(=O)Nc2cccc(Cl)c2)c1C#N ZINC001202239843 1048501317 /nfs/dbraw/zinc/50/13/17/1048501317.db2.gz XJDMTYWMEQIHES-UHFFFAOYSA-N -1 3 318.764 4.141 20 30 DIEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccc2ccccc2c1 ZINC001188608552 1048526862 /nfs/dbraw/zinc/52/68/62/1048526862.db2.gz DQVXIYLDESOFQY-UHFFFAOYSA-N -1 3 303.321 4.061 20 30 DIEDHM CC(C)c1cccc(C(C)C)c1NC(=O)[N-]c1oncc1C#N ZINC001191615443 1048968178 /nfs/dbraw/zinc/96/81/78/1048968178.db2.gz GCIRWTJBAHODMI-UHFFFAOYSA-N -1 3 312.373 4.437 20 30 DIEDHM O=C([C@@H]1CC[C@@H](C(F)(F)F)C1)N([O-])Cc1ccccc1Cl ZINC000904193040 1048999191 /nfs/dbraw/zinc/99/91/91/1048999191.db2.gz JQBBUGCLYLNIKA-MWLCHTKSSA-N -1 3 321.726 4.036 20 30 DIEDHM CC(=NNc1nc2ccccc2cc1C)c1cc(F)ccc1[O-] ZINC000776785587 1049007196 /nfs/dbraw/zinc/00/71/96/1049007196.db2.gz JUAMYQXGIQMQOU-UHFFFAOYSA-N -1 3 309.344 4.224 20 30 DIEDHM CCCCCCC[C@H](C)NC(=O)Nc1ccc([O-])cc1C#N ZINC001192939205 1049157634 /nfs/dbraw/zinc/15/76/34/1049157634.db2.gz YAPQDTNAUIPVKQ-ZDUSSCGKSA-N -1 3 303.406 4.134 20 30 DIEDHM N#C[C@@H]1CCCN(Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000905721531 1049243521 /nfs/dbraw/zinc/24/35/21/1049243521.db2.gz DQMCWUDBUVKITP-ZDUSSCGKSA-N -1 3 306.365 4.027 20 30 DIEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(C2CCCCC2)c(C)s1 ZINC001205424734 1049467109 /nfs/dbraw/zinc/46/71/09/1049467109.db2.gz SGNRGLUACYVIFG-JTQLQIEISA-N -1 3 309.435 4.127 20 30 DIEDHM CO[C@H](c1ccccc1F)[C@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000775631597 1049470648 /nfs/dbraw/zinc/47/06/48/1049470648.db2.gz SSLHVZFGLXJCFB-BHSFVVSZSA-N -1 3 321.779 4.380 20 30 DIEDHM CC1(C#N)CCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863125153 1049534666 /nfs/dbraw/zinc/53/46/66/1049534666.db2.gz OCOUDKFREKBMQJ-UHFFFAOYSA-N -1 3 311.414 4.164 20 30 DIEDHM CC(CCC(F)(F)F)N=Nc1nc2ccccc2[n-]c1=S ZINC000863128396 1049535338 /nfs/dbraw/zinc/53/53/38/1049535338.db2.gz MTMNTZXIHWWDJU-UHFFFAOYSA-N -1 3 314.336 4.423 20 30 DIEDHM CCc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)oc1CC ZINC000487912698 1049583484 /nfs/dbraw/zinc/58/34/84/1049583484.db2.gz NASPHURCFSITKF-CYBMUJFWSA-N -1 3 321.380 4.079 20 30 DIEDHM [O-]N=Cc1ccccc1-c1ccc2cnn([C@H]3CCCCO3)c2c1 ZINC001206703159 1049781792 /nfs/dbraw/zinc/78/17/92/1049781792.db2.gz CLLCIMOWSUFESR-LJQANCHMSA-N -1 3 321.380 4.211 20 30 DIEDHM CC(C)c1csc(C(C#N)=C([O-])c2cc3ccccc3n2C)n1 ZINC000080456846 1049994016 /nfs/dbraw/zinc/99/40/16/1049994016.db2.gz FTEKQDCNPGOQJY-ZDUSSCGKSA-N -1 3 323.421 4.248 20 30 DIEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1sccc1F ZINC000590231971 1050081967 /nfs/dbraw/zinc/08/19/67/1050081967.db2.gz DQKDWPWRVKHLHC-SNVBAGLBSA-N -1 3 320.414 4.391 20 30 DIEDHM N#Cc1cc(Nc2ccc([O-])c(C(F)(F)F)c2)cc(F)c1F ZINC001209987208 1050117533 /nfs/dbraw/zinc/11/75/33/1050117533.db2.gz KYIRDBLHMJDQTO-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3nccs3)sc2CC[C@@H]1C ZINC000591004354 1050117988 /nfs/dbraw/zinc/11/79/88/1050117988.db2.gz BVNOMSIVZYRXTJ-DTWKUNHWSA-N -1 3 317.439 4.014 20 30 DIEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000770568321 1050169198 /nfs/dbraw/zinc/16/91/98/1050169198.db2.gz JTYLVFYXAGHYMG-PVXMUIKYSA-N -1 3 321.779 4.380 20 30 DIEDHM CCOc1cc(C/N=C/c2cc(Cl)ccc2[O-])ccc1OC ZINC000733902850 1050187781 /nfs/dbraw/zinc/18/77/81/1050187781.db2.gz BPPCDGLIMRNYLO-YBFXNURJSA-N -1 3 319.788 4.072 20 30 DIEDHM Cc1cc(C#N)cc(Nc2ccc(Br)cc2[O-])c1 ZINC001210389808 1050229470 /nfs/dbraw/zinc/22/94/70/1050229470.db2.gz YZHRQYCQQJLGNC-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM N#Cc1cc(Cl)cc(Nc2c([O-])cccc2Br)c1 ZINC001210538723 1050287136 /nfs/dbraw/zinc/28/71/36/1050287136.db2.gz DBWYCAWUXHITAZ-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000734752607 1050307174 /nfs/dbraw/zinc/30/71/74/1050307174.db2.gz HRVKSGAHTSZXSY-UZKPIWGJSA-N -1 3 307.727 4.299 20 30 DIEDHM CCO[C@@H](C/N=C/c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000772155211 1050332586 /nfs/dbraw/zinc/33/25/86/1050332586.db2.gz OSNVPSGOSQKJCU-WAKXPGHKSA-N -1 3 303.789 4.242 20 30 DIEDHM N#Cc1nc(Cl)ccc1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210822632 1050380704 /nfs/dbraw/zinc/38/07/04/1050380704.db2.gz GSMDXONWNXLEFR-UHFFFAOYSA-N -1 3 313.666 4.075 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cnc(C(C)(C)C)s2)ccc1[O-] ZINC000736434226 1050473573 /nfs/dbraw/zinc/47/35/73/1050473573.db2.gz QTCCQWACFPLMMT-VURMDHGXSA-N -1 3 301.411 4.351 20 30 DIEDHM CCCCCCCCCN(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000739060051 1050558463 /nfs/dbraw/zinc/55/84/63/1050558463.db2.gz WVHNLQQIMJDURW-UHFFFAOYSA-N -1 3 324.440 4.423 20 30 DIEDHM N#CC1(CCSCc2cc(=O)[n-]c(C3CC3)n2)CCCCC1 ZINC000574787764 1050568974 /nfs/dbraw/zinc/56/89/74/1050568974.db2.gz IHNUHJFPPHHVIE-UHFFFAOYSA-N -1 3 317.458 4.157 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2ncc(C(F)(F)F)s2)ccc1[O-] ZINC000788353972 1050671407 /nfs/dbraw/zinc/67/14/07/1050671407.db2.gz CSHCPKHPEVHYII-SNAWJCMRSA-N -1 3 313.300 4.072 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2cnc(-c3ccco3)s2)ccc1[O-] ZINC000789144242 1050796865 /nfs/dbraw/zinc/79/68/65/1050796865.db2.gz UKELHAOTQIBYJQ-FNORWQNLSA-N -1 3 311.362 4.313 20 30 DIEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(Cl)o3)sc2C1 ZINC000060526404 1050845195 /nfs/dbraw/zinc/84/51/95/1050845195.db2.gz GLSCIRCZRVPCLC-QMMMGPOBSA-N -1 3 320.801 4.243 20 30 DIEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc(Nc2ncccn2)cc1 ZINC000766283331 1050895464 /nfs/dbraw/zinc/89/54/64/1050895464.db2.gz JLEYCBBNYVHBLF-UHFFFAOYSA-N -1 3 324.771 4.330 20 30 DIEDHM CCC(C)(C)c1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000790599085 1050977220 /nfs/dbraw/zinc/97/72/20/1050977220.db2.gz RZTBXCPUXVHTKQ-UHFFFAOYSA-N -1 3 312.413 4.026 20 30 DIEDHM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)cc(Cl)n1 ZINC000792092366 1051118221 /nfs/dbraw/zinc/11/82/21/1051118221.db2.gz AZJIQPMNJSFBFN-HNNXBMFYSA-N -1 3 321.767 4.082 20 30 DIEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])[C@@H]1OCCc2sccc21 ZINC000793668438 1051331589 /nfs/dbraw/zinc/33/15/89/1051331589.db2.gz NMBLANYYUNMVLJ-OGNRDBJUSA-N -1 3 321.829 4.229 20 30 DIEDHM CCCCCCC[C@@H](CCC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001172508382 1051425291 /nfs/dbraw/zinc/42/52/91/1051425291.db2.gz JROURTYZCZEYTP-OAHLLOKOSA-N -1 3 307.415 4.063 20 30 DIEDHM Cc1ccc(Nc2ccc(Br)cc2[O-])cc1C#N ZINC001216075959 1051565323 /nfs/dbraw/zinc/56/53/23/1051565323.db2.gz KQTRCIHZTWIXNM-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM N#CC12CCC(Nc3[n-]c(=O)c(Cl)cc3Cl)(CC1)CC2 ZINC001169743695 1051683735 /nfs/dbraw/zinc/68/37/35/1051683735.db2.gz LILQAMXVEDAUIC-UHFFFAOYSA-N -1 3 312.200 4.122 20 30 DIEDHM N#Cc1cc(Nc2cc(Cl)ccc2[O-])ccc1Br ZINC001216401002 1051747776 /nfs/dbraw/zinc/74/77/76/1051747776.db2.gz JKOREWXUCWFAIK-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM Cc1nn(C(C)(C)C)cc1[C@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000767339149 1051787349 /nfs/dbraw/zinc/78/73/49/1051787349.db2.gz UPNGNVAFFOFRAS-LOMXTUQMSA-N -1 3 319.836 4.486 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCOC2(CCCCC2)C1 ZINC000767691198 1051838704 /nfs/dbraw/zinc/83/87/04/1051838704.db2.gz SKPSEMCREQJSMB-VUFYJBQKSA-N -1 3 307.821 4.346 20 30 DIEDHM CC(N=Nc1nc(-c2ccccc2)cs1)c1sccc1[O-] ZINC000769779110 1052108907 /nfs/dbraw/zinc/10/89/07/1052108907.db2.gz ZTUKPYUGZYMJTC-UHFFFAOYSA-N -1 3 315.423 4.413 20 30 DIEDHM CC(=NNc1cccc2ncccc21)c1cc(Cl)ccc1[O-] ZINC000915964571 1052576186 /nfs/dbraw/zinc/57/61/86/1052576186.db2.gz DIODRCKZRRPFLN-UHFFFAOYSA-N -1 3 311.772 4.430 20 30 DIEDHM CC(=NNc1cccc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000916581152 1052617811 /nfs/dbraw/zinc/61/78/11/1052617811.db2.gz NIGIIAGQASYGNV-UHFFFAOYSA-N -1 3 312.266 4.386 20 30 DIEDHM C=CCC[C@@H](CC)O/C(=N\[O-])c1ccccc1Br ZINC001223886045 1052648025 /nfs/dbraw/zinc/64/80/25/1052648025.db2.gz XBQVCYQBUDKEGR-QSJBWMMGSA-N -1 3 312.207 4.346 20 30 DIEDHM CC[C@H](O/C(=N\[O-])c1ccccc1Br)C(C)C ZINC001223885950 1052648321 /nfs/dbraw/zinc/64/83/21/1052648321.db2.gz TTZXCWGMZSALTF-AHAXBBEGSA-N -1 3 300.196 4.036 20 30 DIEDHM C=CC[C@H](O/C(=N\[O-])c1ccccn1)c1ccc(Cl)cc1 ZINC001223975755 1052656920 /nfs/dbraw/zinc/65/69/20/1052656920.db2.gz FJKYIYPBAFSEEP-ZMEGLIOTSA-N -1 3 302.761 4.205 20 30 DIEDHM CCOc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000917557415 1052738258 /nfs/dbraw/zinc/73/82/58/1052738258.db2.gz LDHVVYZYFLEXJT-UHFFFAOYSA-N -1 3 320.186 4.304 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/CCCOCCc1ccccc1 ZINC000917557281 1052738727 /nfs/dbraw/zinc/73/87/27/1052738727.db2.gz DITCIMSQBTYVGM-XSFVSMFZSA-N -1 3 317.816 4.114 20 30 DIEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2cc3ccccc3s2)[n-]1 ZINC001225467098 1052792102 /nfs/dbraw/zinc/79/21/02/1052792102.db2.gz KNDWJPGPAFKFSM-NSHDSACASA-N -1 3 310.378 4.322 20 30 DIEDHM [O-]/N=C/c1cccc(O[C@H]2CC=C[C@@H]2COCc2ccccc2)c1 ZINC001226115238 1052869752 /nfs/dbraw/zinc/86/97/52/1052869752.db2.gz ZFQCRMVGYZZOHY-MJWAHQGTSA-N -1 3 323.392 4.035 20 30 DIEDHM C=C(C)C[C@@H](Oc1cc2c(C)cc(=O)oc2cc1[O-])C(=C)C ZINC001226532556 1052907352 /nfs/dbraw/zinc/90/73/52/1052907352.db2.gz SUBUNBFFVDEXFA-OAHLLOKOSA-N -1 3 300.354 4.097 20 30 DIEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226597940 1052913886 /nfs/dbraw/zinc/91/38/86/1052913886.db2.gz YQUFHCHCMXFMRP-GDBMZVCRSA-N -1 3 312.365 4.178 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\C1CCN(c2ccccc2)CC1 ZINC000920172828 1052926367 /nfs/dbraw/zinc/92/63/67/1052926367.db2.gz KXUXEPPUWROGQX-MOSHPQCFSA-N -1 3 314.816 4.134 20 30 DIEDHM CC(=O)Nc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1Cl ZINC000920387367 1052936789 /nfs/dbraw/zinc/93/67/89/1052936789.db2.gz MLQOHFQHXBCDCL-UHFFFAOYSA-N -1 3 323.179 4.408 20 30 DIEDHM O=C(N([O-])Cc1cc(Cl)cc(Cl)c1)[C@]12C[C@H]1CCCC2 ZINC000901378596 1052938783 /nfs/dbraw/zinc/93/87/83/1052938783.db2.gz NMZSLDFNJOSPKO-IAQYHMDHSA-N -1 3 314.212 4.292 20 30 DIEDHM O=[N+]([O-])c1cc(N=Cc2cc(Cl)ccc2[O-])ccc1Cl ZINC000920943097 1052955790 /nfs/dbraw/zinc/95/57/90/1052955790.db2.gz NGYUBXAPSACBPJ-UHFFFAOYSA-N -1 3 311.124 4.358 20 30 DIEDHM COc1ccc(C)cc1N=Cc1cc(Br)ccc1[O-] ZINC000920942861 1052955952 /nfs/dbraw/zinc/95/59/52/1052955952.db2.gz RRJQVQUYVORURU-UHFFFAOYSA-N -1 3 320.186 4.222 20 30 DIEDHM [O-]c1ccc(C=NN=c2[nH]c3ccccc3s2)cc1Cl ZINC000921253114 1052966219 /nfs/dbraw/zinc/96/62/19/1052966219.db2.gz JACOVFJVAOIOEA-UHFFFAOYSA-N -1 3 303.774 4.101 20 30 DIEDHM C=CC[C@@H](CCC)Oc1c([O-])cc(Br)cc1F ZINC001227589032 1053003028 /nfs/dbraw/zinc/00/30/28/1053003028.db2.gz XPSIZCXYSHNFQX-JTQLQIEISA-N -1 3 303.171 4.417 20 30 DIEDHM C=CC[C@H](CCC)Oc1c([O-])cc(Br)cc1F ZINC001227589033 1053003191 /nfs/dbraw/zinc/00/31/91/1053003191.db2.gz XPSIZCXYSHNFQX-SNVBAGLBSA-N -1 3 303.171 4.417 20 30 DIEDHM C[C@@H](CC(C)(C)S)Oc1c([O-])cc(Br)cc1F ZINC001227591042 1053003339 /nfs/dbraw/zinc/00/33/39/1053003339.db2.gz OKAIJKFRQOKXDZ-ZETCQYMHSA-N -1 3 323.227 4.160 20 30 DIEDHM Cc1c(C#N)cccc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001228027170 1053037527 /nfs/dbraw/zinc/03/75/27/1053037527.db2.gz CTOUYIAPLANGST-SFHVURJKSA-N -1 3 307.305 4.056 20 30 DIEDHM N#CC1(C/N=C/c2cc(Br)ccc2[O-])CCCCC1 ZINC000849172036 1053060570 /nfs/dbraw/zinc/06/05/70/1053060570.db2.gz KZRIIXXQQDKJAX-GIJQJNRQSA-N -1 3 321.218 4.048 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2cc(C(C)(C)C)on2)c1C#N ZINC001318749957 1053188448 /nfs/dbraw/zinc/18/84/48/1053188448.db2.gz VFFZTJOHVOQQPI-UHFFFAOYSA-N -1 3 317.414 4.028 20 30 DIEDHM C=CC[C@@H](Oc1ncc(Br)cc1[O-])c1ccccc1 ZINC001228956678 1053213158 /nfs/dbraw/zinc/21/31/58/1053213158.db2.gz PYNRXUANMYUIGP-CQSZACIVSA-N -1 3 320.186 4.246 20 30 DIEDHM C=C(C)C[C@@H](Oc1cc(O)cc([O-])c1Br)C(=C)C ZINC001229097317 1053247004 /nfs/dbraw/zinc/24/70/04/1053247004.db2.gz SGMDVXCYKPXWDS-GFCCVEGCSA-N -1 3 313.191 4.150 20 30 DIEDHM C=C[C@@H](CCCCC)Oc1cc(O)cc([O-])c1Br ZINC001229100731 1053245695 /nfs/dbraw/zinc/24/56/95/1053245695.db2.gz VVTMQHIWVRCTBF-NSHDSACASA-N -1 3 315.207 4.374 20 30 DIEDHM C=C[C@H](C)Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229268799 1053286863 /nfs/dbraw/zinc/28/68/63/1053286863.db2.gz UQNGWSAPNKEENU-LBPRGKRZSA-N -1 3 308.333 4.119 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2nc3c(s2)C[C@@H](C)CC3)ccc1[O-] ZINC001320397756 1053330194 /nfs/dbraw/zinc/33/01/94/1053330194.db2.gz FGPJJJHUJSIGKQ-AEZGRPFRSA-N -1 3 313.422 4.178 20 30 DIEDHM C/C(=N\[O-])c1ccccc1OC1CCC(C(F)(F)F)CC1 ZINC001229737127 1053395145 /nfs/dbraw/zinc/39/51/45/1053395145.db2.gz QFILIANRPWLYGL-VXLYETTFSA-N -1 3 301.308 4.385 20 30 DIEDHM CCC(=O)[C@@H](CC)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934829 1053433902 /nfs/dbraw/zinc/43/39/02/1053433902.db2.gz FPQGMTWZPCGDBL-JZQBQCRLSA-N -1 3 311.381 4.279 20 30 DIEDHM C=CCc1cc(OC)ccc1OC(=O)c1cccc(Cl)c1[O-] ZINC001353007564 1053455346 /nfs/dbraw/zinc/45/53/46/1053455346.db2.gz JHVQFRIWBQSXFP-UHFFFAOYSA-N -1 3 318.756 4.002 20 30 DIEDHM C=C[C@@H](C)Oc1cc(C(=O)c2ccc(Cl)cc2)ccc1[O-] ZINC001230454230 1053542172 /nfs/dbraw/zinc/54/21/72/1053542172.db2.gz TVOASJITYPETED-LLVKDONJSA-N -1 3 302.757 4.230 20 30 DIEDHM C[C@@H]1CC[C@@H](C(=O)N([O-])CCCCc2ccccc2)C[C@H]1C ZINC001472619299 1053839012 /nfs/dbraw/zinc/83/90/12/1053839012.db2.gz GQMGCJSHRUQNBK-JFIYKMOQSA-N -1 3 303.446 4.299 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001436295750 1053840963 /nfs/dbraw/zinc/84/09/63/1053840963.db2.gz JAHGQCKXSAWYAS-CYBMUJFWSA-N -1 3 317.738 4.258 20 30 DIEDHM C#CCN(Cc1ccc(Cl)c([O-])c1)[C@@H]1CCc2ccccc21 ZINC001231734046 1053844410 /nfs/dbraw/zinc/84/44/10/1053844410.db2.gz OVJRSQBUFHVMGH-GOSISDBHSA-N -1 3 311.812 4.168 20 30 DIEDHM O=C([C@@H]1CCC[C@@H](F)C1)N([O-])Cc1cccc2ccccc21 ZINC001332008051 1054105866 /nfs/dbraw/zinc/10/58/66/1054105866.db2.gz UMDWLEBJOVQPAP-GDBMZVCRSA-N -1 3 301.361 4.086 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1OC1CCC(C(F)(F)F)CC1 ZINC001233799331 1054360702 /nfs/dbraw/zinc/36/07/02/1054360702.db2.gz IGEMSSHORSBQLL-DJKKODMXSA-N -1 3 317.307 4.003 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001233802603 1054363761 /nfs/dbraw/zinc/36/37/61/1054363761.db2.gz HVQLKSBVVHDCSR-SDCSMWIJSA-N -1 3 303.402 4.241 20 30 DIEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1Br ZINC001234145006 1054438824 /nfs/dbraw/zinc/43/88/24/1054438824.db2.gz ZKEXUMFWDYYTNP-JTQLQIEISA-N -1 3 318.170 4.166 20 30 DIEDHM CCn1ccnc1C(C#N)=C([O-])C1=C(c2ccccc2)CCCC1 ZINC001344874716 1054482055 /nfs/dbraw/zinc/48/20/55/1054482055.db2.gz FWTFBKMFIIDTEC-GOSISDBHSA-N -1 3 319.408 4.107 20 30 DIEDHM C=C[C@@]1(C)CC[C@H](Oc2c([O-])cc(Cl)cc2F)C(C)(C)O1 ZINC001234444324 1054524914 /nfs/dbraw/zinc/52/49/14/1054524914.db2.gz OMPFENIUSIVNAA-BBRMVZONSA-N -1 3 314.784 4.466 20 30 DIEDHM CCc1ccc(-c2cc(C(=O)[N-]c3sccc3C#N)no2)cc1 ZINC001349632514 1054776485 /nfs/dbraw/zinc/77/64/85/1054776485.db2.gz UTKAMSLCQFZGRE-UHFFFAOYSA-N -1 3 323.377 4.089 20 30 DIEDHM CCC(N=Nc1cc(F)c(F)cc1F)c1ccc([O-])c(F)c1 ZINC000764693254 1055238055 /nfs/dbraw/zinc/23/80/55/1055238055.db2.gz UZFIJYQEMGSEAS-UHFFFAOYSA-N -1 3 312.266 4.175 20 30 DIEDHM CC(C)n1cc2c(n1)[C@H](/N=C/c1cc(Cl)ccc1[O-])CCC2 ZINC000764888189 1055282781 /nfs/dbraw/zinc/28/27/81/1055282781.db2.gz QPMABDHTMOLWHH-VTNJTDAWSA-N -1 3 317.820 4.320 20 30 DIEDHM N#CCN(Cc1ccccc1)Cc1cc2ccccc2cc1[O-] ZINC001236834416 1055284286 /nfs/dbraw/zinc/28/42/86/1055284286.db2.gz YPEZDPPHHXKMQS-UHFFFAOYSA-N -1 3 302.377 4.071 20 30 DIEDHM C=CCN(Cc1ccccc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237997592 1055575621 /nfs/dbraw/zinc/57/56/21/1055575621.db2.gz MMWHKTISFMUKEQ-UHFFFAOYSA-N -1 3 305.780 4.373 20 30 DIEDHM CC(C)c1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)c([O-])c1 ZINC001565786444 1055728376 /nfs/dbraw/zinc/72/83/76/1055728376.db2.gz FRDKOJFRCFJNJJ-LJQANCHMSA-N -1 3 314.429 4.108 20 30 DIEDHM C[C@@H]1[C@H](C(=O)N([O-])Cc2ccccc2Cl)[C@H]1c1ccccc1 ZINC001649045921 1055746880 /nfs/dbraw/zinc/74/68/80/1055746880.db2.gz FSSUICKULKFUFH-VUCTXSBTSA-N -1 3 315.800 4.108 20 30 DIEDHM O=C(C[C@@H]1CCc2ccccc21)N([O-])CCCCc1ccccc1 ZINC001649051925 1055768343 /nfs/dbraw/zinc/76/83/43/1055768343.db2.gz LIGWLGVQOKBKHN-IBGZPJMESA-N -1 3 323.436 4.347 20 30 DIEDHM C=CCC[C@H](NC(=O)c1ccc(CC)cc1[O-])c1ccccc1 ZINC001566620629 1055776519 /nfs/dbraw/zinc/77/65/19/1055776519.db2.gz CPJBJBRGGMFNQV-SFHVURJKSA-N -1 3 309.409 4.392 20 30 DIEDHM CCCCCCC[C@H](C)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001597030461 1055777303 /nfs/dbraw/zinc/77/73/03/1055777303.db2.gz DIVZMKOWLCJYBS-AWEZNQCLSA-N -1 3 309.425 4.187 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC001649057331 1055789025 /nfs/dbraw/zinc/78/90/25/1055789025.db2.gz WJJNYDKQMWCLCX-UHFFFAOYSA-N -1 3 322.792 4.407 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1c[nH]c2c1cccc2CC ZINC001649056905 1055789229 /nfs/dbraw/zinc/78/92/29/1055789229.db2.gz KQXYTVRVASSEOD-UHFFFAOYSA-N -1 3 302.418 4.071 20 30 DIEDHM CCCCN([O-])C(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC001649061623 1055826187 /nfs/dbraw/zinc/82/61/87/1055826187.db2.gz STYVPNPZGKGJJB-UHFFFAOYSA-N -1 3 311.425 4.106 20 30 DIEDHM N#Cc1cc(Br)cc(Nc2ccc(Cl)cc2[O-])c1 ZINC001214409737 1056084401 /nfs/dbraw/zinc/08/44/01/1056084401.db2.gz PWODPJYQTFPHDP-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM C#Cc1cccc(N(CC)C(=O)c2cc3sccc3c([O-])c2)c1 ZINC001542919167 1056162250 /nfs/dbraw/zinc/16/22/50/1056162250.db2.gz AXIHSGDLWZRGPJ-UHFFFAOYSA-N -1 3 321.401 4.255 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cc2c(cncc2Cl)s1 ZINC001611657644 1056178539 /nfs/dbraw/zinc/17/85/39/1056178539.db2.gz BCXXDAXETKEMSH-UHFFFAOYSA-N -1 3 312.822 4.361 20 30 DIEDHM CCCCCCN([O-])C(=O)CCn1ccc2cc(Cl)ccc21 ZINC001611655450 1056178717 /nfs/dbraw/zinc/17/87/17/1056178717.db2.gz DIWOLUHVONEFPT-UHFFFAOYSA-N -1 3 322.836 4.483 20 30 DIEDHM C=CC[C@H](CC)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001618143849 1056927178 /nfs/dbraw/zinc/92/71/78/1056927178.db2.gz FQMMDLIESPGAIS-AWEZNQCLSA-N -1 3 311.381 4.269 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/C1CC(OCc2ccccc2)C1 ZINC000766011068 1057092533 /nfs/dbraw/zinc/09/25/33/1057092533.db2.gz VWLUXVASMAERDJ-RGVLZGJSSA-N -1 3 315.800 4.212 20 30 DIEDHM N#Cc1ccc2nccc(-c3cc(C(F)(F)F)ccc3[O-])c2c1 ZINC001242137298 1057275339 /nfs/dbraw/zinc/27/53/39/1057275339.db2.gz BPGSPJSUXGJESE-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM N#Cc1cc2cc(-c3ccc([O-])c(C(F)(F)F)c3)ccc2[nH]1 ZINC001242162353 1057284485 /nfs/dbraw/zinc/28/44/85/1057284485.db2.gz LZUXHAWPEVDUGP-UHFFFAOYSA-N -1 3 302.255 4.431 20 30 DIEDHM N#Cc1ccc(-c2csc(Nc3cccc([O-])c3F)n2)s1 ZINC001212549227 1057360841 /nfs/dbraw/zinc/36/08/41/1057360841.db2.gz BXCDBRLVMRLYSF-UHFFFAOYSA-N -1 3 317.370 4.332 20 30 DIEDHM [O-]N=Cc1ccccc1-c1ccc2c(cnn2[C@@H]2CCCCO2)c1 ZINC001242451974 1057372449 /nfs/dbraw/zinc/37/24/49/1057372449.db2.gz OTODOSYZMJSAPW-IBGZPJMESA-N -1 3 321.380 4.211 20 30 DIEDHM N#Cc1c2c(cnc1-c1cc([O-])cc(C(F)(F)F)c1)CCCC2 ZINC001242782211 1057473760 /nfs/dbraw/zinc/47/37/60/1057473760.db2.gz KHHDFZVEKWQHQU-UHFFFAOYSA-N -1 3 318.298 4.223 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc2ncccc2c1 ZINC000730589779 1057717994 /nfs/dbraw/zinc/71/79/94/1057717994.db2.gz FAAZQBBLAMLWSK-UXEDPAHQSA-N -1 3 319.335 4.463 20 30 DIEDHM N#Cc1ccc2cc(-c3ccc(C(F)(F)F)cc3[O-])ccc2n1 ZINC001243611228 1057733070 /nfs/dbraw/zinc/73/30/70/1057733070.db2.gz FQZBBMHWRYNZOZ-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM COc1cccc(C[C@H](C)/N=C\c2cc(Cl)ccc2[O-])c1 ZINC000732926287 1057791390 /nfs/dbraw/zinc/79/13/90/1057791390.db2.gz KUUWNCIADFTKTD-XHEYCZLTSA-N -1 3 303.789 4.104 20 30 DIEDHM COc1cccc(C[C@H](C)/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000732926286 1057791474 /nfs/dbraw/zinc/79/14/74/1057791474.db2.gz KUUWNCIADFTKTD-MKFNJMOCSA-N -1 3 303.789 4.104 20 30 DIEDHM COc1cc([O-])ccc1-c1nc(-c2cccs2)ccc1C#N ZINC001243978421 1057827315 /nfs/dbraw/zinc/82/73/15/1057827315.db2.gz DQLNIIBPMIQCKC-UHFFFAOYSA-N -1 3 308.362 4.063 20 30 DIEDHM COCOc1cccc(Cl)c1-c1ccc(/C(C)=N/[O-])cc1 ZINC001244436371 1057957497 /nfs/dbraw/zinc/95/74/97/1057957497.db2.gz NRLCLTDFKGNCAU-WOJGMQOQSA-N -1 3 305.761 4.188 20 30 DIEDHM COCOc1ccc(Cl)cc1-c1ccc(/C(C)=N/[O-])cc1 ZINC001244478799 1057971336 /nfs/dbraw/zinc/97/13/36/1057971336.db2.gz PKOLNCXJOBODCX-WOJGMQOQSA-N -1 3 305.761 4.188 20 30 DIEDHM Cc1cc(-c2cccc(C3(C#N)CCOCC3)c2)cc([O-])c1F ZINC001244525961 1057985556 /nfs/dbraw/zinc/98/55/56/1057985556.db2.gz VCIXPKBZKAITCP-UHFFFAOYSA-N -1 3 311.356 4.079 20 30 DIEDHM C=CCc1ccnc(-c2ccc([O-])cc2Cl)c1C(OC)OC ZINC001245077867 1058107831 /nfs/dbraw/zinc/10/78/31/1058107831.db2.gz HZGQHKKNRPGEJX-UHFFFAOYSA-N -1 3 319.788 4.128 20 30 DIEDHM CSc1ccc(Cl)cc1[N-]C(=O)c1ccc(C#N)s1 ZINC001528353981 1058401012 /nfs/dbraw/zinc/40/10/12/1058401012.db2.gz RSKGVRZBPXAQEG-UHFFFAOYSA-N -1 3 308.815 4.247 20 30 DIEDHM Cc1ccc2[nH]c(C(=O)N([O-])Cc3ccccc3Cl)cc2c1 ZINC001559033686 1058939465 /nfs/dbraw/zinc/93/94/65/1058939465.db2.gz SJTTYFXOHYSOBM-UHFFFAOYSA-N -1 3 314.772 4.161 20 30 DIEDHM C[C@@H]1CC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001559031111 1058939734 /nfs/dbraw/zinc/93/97/34/1058939734.db2.gz SELAUJURGXPATB-KOLCDFICSA-N -1 3 302.201 4.147 20 30 DIEDHM CCCCCCN([O-])C(=O)COc1ccc(Cl)c(CC)c1 ZINC001559034682 1058940973 /nfs/dbraw/zinc/94/09/73/1058940973.db2.gz LHHQZQZNBRFMIR-UHFFFAOYSA-N -1 3 313.825 4.079 20 30 DIEDHM CCCCN([O-])C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC001559035499 1058941828 /nfs/dbraw/zinc/94/18/28/1058941828.db2.gz SVHCCESTQJANBT-UHFFFAOYSA-N -1 3 316.228 4.433 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC001559034749 1058942317 /nfs/dbraw/zinc/94/23/17/1058942317.db2.gz NWCKGNPTUJGJTH-UHFFFAOYSA-N -1 3 322.792 4.407 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](Cc1cccnc1)C1CCCC1 ZINC001559035230 1058943968 /nfs/dbraw/zinc/94/39/68/1058943968.db2.gz IHSCZVCKRDMXMS-SFHVURJKSA-N -1 3 318.461 4.229 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC001559034590 1058944213 /nfs/dbraw/zinc/94/42/13/1058944213.db2.gz HLWLMONQMWUODC-HNNXBMFYSA-N -1 3 307.434 4.375 20 30 DIEDHM CC(C)(C)c1cc([O-])c(CN2CC[C@](C)(C#N)C2)cc1Cl ZINC001248885352 1060040522 /nfs/dbraw/zinc/04/05/22/1060040522.db2.gz UAEVNOZGONIRLI-QGZVFWFLSA-N -1 3 306.837 4.079 20 30 DIEDHM CCCCN([O-])C(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001458025486 1061543518 /nfs/dbraw/zinc/54/35/18/1061543518.db2.gz VWPVAZWEXNJDRU-UHFFFAOYSA-N -1 3 316.228 4.433 20 30 DIEDHM C[C@@H](C(=O)N([O-])CCCCc1ccccc1)c1cccc(F)c1 ZINC001457995860 1061534068 /nfs/dbraw/zinc/53/40/68/1061534068.db2.gz WYXVJOVTPALEFE-OAHLLOKOSA-N -1 3 315.388 4.170 20 30 DIEDHM C[C@H]1CCCC[C@@H]1CC(=O)N([O-])CCCCc1ccccc1 ZINC001457995817 1061534383 /nfs/dbraw/zinc/53/43/83/1061534383.db2.gz WLFWJQYZAGNDEU-FUHWJXTLSA-N -1 3 303.446 4.444 20 30 DIEDHM CC(C)[C@@H]1C[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457998544 1061535124 /nfs/dbraw/zinc/53/51/24/1061535124.db2.gz WDTWHXYFSGKNOU-STQMWFEESA-N -1 3 302.201 4.003 20 30 DIEDHM CC(C)[C@H]1C[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457998531 1061535169 /nfs/dbraw/zinc/53/51/69/1061535169.db2.gz WDTWHXYFSGKNOU-OLZOCXBDSA-N -1 3 302.201 4.003 20 30 DIEDHM C[C@@H]1CCCC[C@@H]1CC(=O)N([O-])CCCCc1ccccc1 ZINC001457995821 1061536425 /nfs/dbraw/zinc/53/64/25/1061536425.db2.gz WLFWJQYZAGNDEU-SJLPKXTDSA-N -1 3 303.446 4.444 20 30 DIEDHM Cc1ccccc1[C@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC001457993892 1061536509 /nfs/dbraw/zinc/53/65/09/1061536509.db2.gz NPYUBJOJJPQYSD-ZDUSSCGKSA-N -1 3 303.789 4.170 20 30 DIEDHM CCCOc1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001458002015 1061537367 /nfs/dbraw/zinc/53/73/67/1061537367.db2.gz JWYNKULFQXZQNF-UHFFFAOYSA-N -1 3 319.788 4.160 20 30 DIEDHM CCCCCCN([O-])C(=O)CCC(=O)c1cc(C)sc1C ZINC001458007956 1061537511 /nfs/dbraw/zinc/53/75/11/1061537511.db2.gz LXABKCVVZBGITQ-UHFFFAOYSA-N -1 3 311.447 4.126 20 30 DIEDHM CCCCN([O-])C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC001458011457 1061540554 /nfs/dbraw/zinc/54/05/54/1061540554.db2.gz NFQJUBUWCUFZEX-UHFFFAOYSA-N -1 3 303.402 4.425 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001458011058 1061540572 /nfs/dbraw/zinc/54/05/72/1061540572.db2.gz LGPPAHHZSRTEOZ-RYUDHWBXSA-N -1 3 315.335 4.006 20 30 DIEDHM O=C(c1ccc(Cl)c2occc21)N([O-])Cc1ccc(F)cc1 ZINC001458029805 1061543393 /nfs/dbraw/zinc/54/33/93/1061543393.db2.gz WBBCZXVHLJLXLZ-UHFFFAOYSA-N -1 3 319.719 4.257 20 30 DIEDHM CCCCN([O-])C(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC001458023113 1061543460 /nfs/dbraw/zinc/54/34/60/1061543460.db2.gz LTGWEXGFYAFSOS-UHFFFAOYSA-N -1 3 324.471 4.167 20 30 DIEDHM CCCCCCCC[C@H](O)CNc1ccc(F)c(F)c1[O-] ZINC001252130906 1061588089 /nfs/dbraw/zinc/58/80/89/1061588089.db2.gz AWWHAYRHNCDJFM-LBPRGKRZSA-N -1 3 301.377 4.194 20 30 DIEDHM Cc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])cc(C)c1C#N ZINC001466220654 1061898991 /nfs/dbraw/zinc/89/89/91/1061898991.db2.gz COJQOXLPYKAQDF-UHFFFAOYSA-N -1 3 322.408 4.431 20 30 DIEDHM CCCCCCC[C@@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC001468156716 1062271414 /nfs/dbraw/zinc/27/14/14/1062271414.db2.gz NHSZYRYJALQWSV-CQSZACIVSA-N -1 3 324.440 4.327 20 30 DIEDHM C=CCCC1(CNC(=O)c2cc([O-])ccc2Cl)CCCC1 ZINC001470074697 1062697939 /nfs/dbraw/zinc/69/79/39/1062697939.db2.gz KBJVCLSJWQRCLR-UHFFFAOYSA-N -1 3 307.821 4.302 20 30 DIEDHM CC(C)Cc1nnc(-c2cc([O-])cc(-c3cccc(C#N)c3)c2)o1 ZINC001256518220 1062840898 /nfs/dbraw/zinc/84/08/98/1062840898.db2.gz KHJLSTBWHZAHFL-UHFFFAOYSA-N -1 3 319.364 4.179 20 30 DIEDHM C[C@H]1C[C@H]1c1nnc(-c2cc([O-])cc(-c3cccc(C#N)c3)c2)o1 ZINC001256771298 1062970646 /nfs/dbraw/zinc/97/06/46/1062970646.db2.gz FCBMCQJJWUIVQL-APPDUMDISA-N -1 3 317.348 4.104 20 30 DIEDHM Cc1cccc(Cl)c1CC(=O)N([O-])Cc1ccccc1Cl ZINC001472619600 1063108257 /nfs/dbraw/zinc/10/82/57/1063108257.db2.gz ANACLUGOAXCXRS-UHFFFAOYSA-N -1 3 324.207 4.262 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001472621242 1063108357 /nfs/dbraw/zinc/10/83/57/1063108357.db2.gz MKDIBEJVXVPRGT-ROUUACIJSA-N -1 3 303.446 4.444 20 30 DIEDHM CCCCN([O-])C(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC001472620420 1063109692 /nfs/dbraw/zinc/10/96/92/1063109692.db2.gz BACRBPYWBXWYAR-CYBMUJFWSA-N -1 3 317.351 4.292 20 30 DIEDHM C[C@]1(C(=O)N([O-])Cc2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC001472620104 1063109896 /nfs/dbraw/zinc/10/98/96/1063109896.db2.gz OPGMQBBBPDBLSK-QAPCUYQASA-N -1 3 315.800 4.252 20 30 DIEDHM CCCCN([O-])C(=O)C(CC)(CC)COCc1ccccc1 ZINC001472620700 1063110485 /nfs/dbraw/zinc/11/04/85/1063110485.db2.gz MYKXXYPPPLLXOF-UHFFFAOYSA-N -1 3 307.434 4.028 20 30 DIEDHM C[C@@H](C(=O)N([O-])CCCCc1ccccc1)c1ccccc1F ZINC001472620088 1063110513 /nfs/dbraw/zinc/11/05/13/1063110513.db2.gz OAUUYPCHCUVLQR-OAHLLOKOSA-N -1 3 315.388 4.170 20 30 DIEDHM CC(C)[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC001472623371 1063112009 /nfs/dbraw/zinc/11/20/09/1063112009.db2.gz ZSLCACPEVRDSCW-QGZVFWFLSA-N -1 3 319.351 4.122 20 30 DIEDHM Cc1ccc2sc(C(=O)N([O-])Cc3ccc(F)cc3)cc2c1 ZINC001472623003 1063112306 /nfs/dbraw/zinc/11/23/06/1063112306.db2.gz SACUJPHANJJMBS-UHFFFAOYSA-N -1 3 315.369 4.380 20 30 DIEDHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306893808 1064704232 /nfs/dbraw/zinc/70/42/32/1064704232.db2.gz PLMONEHHNPXGCD-SUNKGSAMSA-N -1 3 314.212 4.147 20 30 DIEDHM Cc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)c(F)c1 ZINC001306899796 1065200659 /nfs/dbraw/zinc/20/06/59/1065200659.db2.gz BVPKLIAJLMXOGE-UHFFFAOYSA-N -1 3 309.340 4.319 20 30 DIEDHM O=C(c1cccc(F)c1F)N([O-])Cc1cccc2ccccc21 ZINC001306900370 1065201506 /nfs/dbraw/zinc/20/15/06/1065201506.db2.gz MRMJBAQZOBMHOU-UHFFFAOYSA-N -1 3 313.303 4.150 20 30 DIEDHM C#Cc1ccc(NCc2cc(C)cc(Br)c2[O-])cc1 ZINC001308544935 1066059190 /nfs/dbraw/zinc/05/91/90/1066059190.db2.gz WJMWXVOBAUURJU-UHFFFAOYSA-N -1 3 316.198 4.057 20 30 DIEDHM C=C[C@@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001308726871 1066202249 /nfs/dbraw/zinc/20/22/49/1066202249.db2.gz NGVILULHKDVWKQ-CYBMUJFWSA-N -1 3 310.235 4.004 20 30 DIEDHM C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc(Cl)ccc1[O-] ZINC000273344735 130109945 /nfs/dbraw/zinc/10/99/45/130109945.db2.gz AJXRDGNILJPXSZ-GFCCVEGCSA-N -1 3 312.800 4.257 20 30 DIEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ccsn3)sc2[C@@H](C)C1 ZINC000297621835 132025610 /nfs/dbraw/zinc/02/56/10/132025610.db2.gz ADPZMBVAJHZCJL-BDAKNGLRSA-N 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/nfs/dbraw/zinc/42/09/98/332420998.db2.gz CCPXNIRQQRHVPM-CYBMUJFWSA-N -1 3 316.813 4.337 20 30 DIEDHM N#CCCSc1ccccc1[N-]C(=O)c1c(F)cccc1F ZINC000154983376 332441749 /nfs/dbraw/zinc/44/17/49/332441749.db2.gz IYTCKYFJSSAMBR-UHFFFAOYSA-N -1 3 318.348 4.223 20 30 DIEDHM C=CC1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000563279431 333519362 /nfs/dbraw/zinc/51/93/62/333519362.db2.gz UUEXNDIYQRCXSA-AWEZNQCLSA-N -1 3 314.212 4.017 20 30 DIEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000292821494 334193105 /nfs/dbraw/zinc/19/31/05/334193105.db2.gz DBFQSYKUIKAMLH-OLZOCXBDSA-N -1 3 321.446 4.038 20 30 DIEDHM CSc1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cc1 ZINC000345387318 335322318 /nfs/dbraw/zinc/32/23/18/335322318.db2.gz XUYYFMMNOJLISG-AWEZNQCLSA-N -1 3 321.405 4.083 20 30 DIEDHM COc1csc(C(=O)[N-]c2ccccc2SCCC#N)c1 ZINC000176792261 337153164 /nfs/dbraw/zinc/15/31/64/337153164.db2.gz AHTNLVKLSBNSHV-UHFFFAOYSA-N -1 3 318.423 4.015 20 30 DIEDHM C=C(C)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 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C[C@@H](CCC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901371426 1045711767 /nfs/dbraw/zinc/71/17/67/1045711767.db2.gz BSFRFJBCCSORHX-AWEZNQCLSA-N -1 3 301.361 4.127 20 30 DIEDHM C/C(=C\c1ccc(Cl)cc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371405 1045711789 /nfs/dbraw/zinc/71/17/89/1045711789.db2.gz BAKCKQLIHRLQKD-ZRDIBKRKSA-N -1 3 319.763 4.300 20 30 DIEDHM C[C@@H](CC(=O)N([O-])Cc1cccc2ccccc21)C(F)(F)F ZINC000901371955 1045712067 /nfs/dbraw/zinc/71/20/67/1045712067.db2.gz YRUMAMTURPSXGA-NSHDSACASA-N -1 3 311.303 4.146 20 30 DIEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000901372619 1045712729 /nfs/dbraw/zinc/71/27/29/1045712729.db2.gz JEYLJIWGKHQMAV-SECBINFHSA-N -1 3 313.781 4.062 20 30 DIEDHM Cc1cc(Cl)c(C(=O)N([O-])Cc2ccc(F)cc2)cc1C ZINC000901372024 1045713386 /nfs/dbraw/zinc/71/33/86/1045713386.db2.gz NFGDAUQSRWBABH-UHFFFAOYSA-N -1 3 307.752 4.128 20 30 DIEDHM O=C(c1cc2c(s1)CCCCC2)N([O-])Cc1ccc(F)cc1 ZINC000901378090 1045714234 /nfs/dbraw/zinc/71/42/34/1045714234.db2.gz 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/nfs/dbraw/zinc/71/55/64/1045715564.db2.gz AWJNFFDZFWHTSY-GFCCVEGCSA-N -1 3 302.201 4.147 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cnc(-c3ccncc3)s2)ccc1[O-] ZINC000753144162 1045729905 /nfs/dbraw/zinc/72/99/05/1045729905.db2.gz KHLXPMYKHDAJJH-HYXAFXHYSA-N -1 3 322.389 4.115 20 30 DIEDHM CCc1nocc1C(=O)[N-]c1sc(-c2ccccc2)cc1C#N ZINC001125245050 1045882282 /nfs/dbraw/zinc/88/22/82/1045882282.db2.gz ITWTXIOBAOSOAF-UHFFFAOYSA-N -1 3 323.377 4.089 20 30 DIEDHM [O-]c1ccc(Cl)cc1C=NOc1ccccc1C(F)(F)F ZINC000754712359 1045915912 /nfs/dbraw/zinc/91/59/12/1045915912.db2.gz NNNCBHPQRNBEAR-UHFFFAOYSA-N -1 3 315.678 4.477 20 30 DIEDHM Cc1[nH]c(-c2ccccc2)nc1C(=O)C=Cc1ccc([O-])c(F)c1 ZINC000755587616 1045999113 /nfs/dbraw/zinc/99/91/13/1045999113.db2.gz VLKKYWGIHQWCIT-NTMALXAHSA-N -1 3 322.339 4.126 20 30 DIEDHM Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1ccc([O-])c(F)c1 ZINC000755587616 1045999116 /nfs/dbraw/zinc/99/91/16/1045999116.db2.gz VLKKYWGIHQWCIT-NTMALXAHSA-N -1 3 322.339 4.126 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1scnc1C1CC1 ZINC000782322739 1046518063 /nfs/dbraw/zinc/51/80/63/1046518063.db2.gz IRVXYSCODCMOQH-NDVARNPJSA-N -1 3 315.369 4.249 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1scnc1C1CC1 ZINC000782322738 1046518113 /nfs/dbraw/zinc/51/81/13/1046518113.db2.gz IRVXYSCODCMOQH-KZSPTFSBSA-N -1 3 315.369 4.249 20 30 DIEDHM N#CC(=C([O-])C1=C(c2ccccc2)CCCC1)c1ccccn1 ZINC000835059521 1046751236 /nfs/dbraw/zinc/75/12/36/1046751236.db2.gz BKYMFBKLWVRZMV-GOSISDBHSA-N -1 3 302.377 4.286 20 30 DIEDHM COc1cc(C(=O)/C=C\c2ccc(SC)s2)ccc1[O-] ZINC000798232397 1046940405 /nfs/dbraw/zinc/94/04/05/1046940405.db2.gz UBOXKKYPCRYEQI-DAXSKMNVSA-N -1 3 306.408 4.080 20 30 DIEDHM CC(C)n1ncc2c1[C@@H](/N=C\c1cc(Cl)ccc1[O-])CCC2 ZINC001116600280 1047160528 /nfs/dbraw/zinc/16/05/28/1047160528.db2.gz CAHFPAZIVHAEAX-VRKJEAOJSA-N -1 3 317.820 4.320 20 30 DIEDHM CC(=O)Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1Cl ZINC000839387750 1047222129 /nfs/dbraw/zinc/22/21/29/1047222129.db2.gz SBWPQIAVIFEDGT-UHFFFAOYSA-N -1 3 323.179 4.408 20 30 DIEDHM CC(=NNc1ccccc1Br)c1cc(F)ccc1[O-] ZINC000839411443 1047226004 /nfs/dbraw/zinc/22/60/04/1047226004.db2.gz MPBQPKQECCUJOO-UHFFFAOYSA-N -1 3 323.165 4.130 20 30 DIEDHM C=C1CC(C)(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001184235345 1048016128 /nfs/dbraw/zinc/01/61/28/1048016128.db2.gz JIPNZVZOVDSARD-UHFFFAOYSA-N -1 3 300.185 4.068 20 30 DIEDHM CCCCN([O-])C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC001184315233 1048021324 /nfs/dbraw/zinc/02/13/24/1048021324.db2.gz VPJFRRBZIIATTC-UHFFFAOYSA-N -1 3 324.833 4.024 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](C)CSCc1ccccc1 ZINC001184305536 1048021550 /nfs/dbraw/zinc/02/15/50/1048021550.db2.gz LBZCWOOHAFAXQF-OAHLLOKOSA-N -1 3 309.475 4.354 20 30 DIEDHM CCCCCCN([O-])C(=O)c1scc(C)c1Br ZINC001184305416 1048022829 /nfs/dbraw/zinc/02/28/29/1048022829.db2.gz ISJSEBBXGZLHMX-UHFFFAOYSA-N -1 3 320.252 4.231 20 30 DIEDHM C[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)c1cccc(F)c1 ZINC001184283374 1048025472 /nfs/dbraw/zinc/02/54/72/1048025472.db2.gz HNIXJFHQGDRZOT-LBPRGKRZSA-N -1 3 321.779 4.391 20 30 DIEDHM CC(C)c1cccc(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001184293158 1048026183 /nfs/dbraw/zinc/02/61/83/1048026183.db2.gz HHKMZWGRYLVAFH-UHFFFAOYSA-N -1 3 312.413 4.059 20 30 DIEDHM O=C([C@@H]1CCCC[C@@H]1C1CC1)N([O-])CCCCc1ccccc1 ZINC001184293282 1048027449 /nfs/dbraw/zinc/02/74/49/1048027449.db2.gz MQGPMOAYIGABRJ-RTBURBONSA-N -1 3 315.457 4.444 20 30 DIEDHM O=C(Cc1cccc(Cl)c1)N([O-])CCCCc1ccccc1 ZINC001184293559 1048028520 /nfs/dbraw/zinc/02/85/20/1048028520.db2.gz YHROCJSLJARQDX-UHFFFAOYSA-N -1 3 317.816 4.123 20 30 DIEDHM O=C(C[C@H]1CCCC1(F)F)N([O-])Cc1cccc2ccccc21 ZINC001184340523 1048031702 /nfs/dbraw/zinc/03/17/02/1048031702.db2.gz PKSSMPJWJWLTPP-OAHLLOKOSA-N -1 3 319.351 4.383 20 30 DIEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1c(Cl)cccc1Cl ZINC001202104287 1048452214 /nfs/dbraw/zinc/45/22/14/1048452214.db2.gz LPECVJGNAYMACZ-UHFFFAOYSA-N -1 3 322.151 4.215 20 30 DIEDHM O=C(c1cc2ccccc2[nH]1)N([O-])Cc1cccc2ccccc21 ZINC000899895432 1048469988 /nfs/dbraw/zinc/46/99/88/1048469988.db2.gz UJGKGALXRSQGJN-UHFFFAOYSA-N -1 3 316.360 4.353 20 30 DIEDHM C#C[C@H]([N-]c1nc2c(cccc2F)o1)c1ccc(Cl)cc1 ZINC001163445493 1048472932 /nfs/dbraw/zinc/47/29/32/1048472932.db2.gz QASAXMJKTYSQTH-ZDUSSCGKSA-N -1 3 300.720 4.407 20 30 DIEDHM C=C(C)Cc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001190231341 1048706935 /nfs/dbraw/zinc/70/69/35/1048706935.db2.gz GCBJGTJIYKZFOG-UHFFFAOYSA-N -1 3 301.773 4.417 20 30 DIEDHM CCCCOc1ccc(Nc2cc(C#N)ccc2[O-])c(F)c1F ZINC001176522053 1048707695 /nfs/dbraw/zinc/70/76/95/1048707695.db2.gz IAUQYOGEMZYFRB-UHFFFAOYSA-N -1 3 318.323 4.465 20 30 DIEDHM CC(C)(Nc1[n-]c(=O)c(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC001165734870 1048711332 /nfs/dbraw/zinc/71/13/32/1048711332.db2.gz PXMVSIHXXAPXMD-UHFFFAOYSA-N -1 3 322.195 4.313 20 30 DIEDHM N#Cc1sccc1[N-]C(=O)c1csc(-c2cccs2)n1 ZINC001190565191 1048756783 /nfs/dbraw/zinc/75/67/83/1048756783.db2.gz ATXULYSAFBNQBU-UHFFFAOYSA-N 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/nfs/dbraw/zinc/77/79/58/1049777958.db2.gz YWDSPTRRPJIWQA-MRUVXERFSA-N -1 3 321.380 4.211 20 30 DIEDHM N#Cc1ccc(-c2csc(Nc3cc([O-])cc(F)c3)n2)s1 ZINC001206798775 1049802410 /nfs/dbraw/zinc/80/24/10/1049802410.db2.gz GGEYJSQWRHPCCL-UHFFFAOYSA-N -1 3 317.370 4.332 20 30 DIEDHM [O-]/N=C(/c1ccccc1)[C@H](OCCCCF)c1ccccc1 ZINC001209969514 1050113673 /nfs/dbraw/zinc/11/36/73/1050113673.db2.gz RSVAUFVWIBTWMJ-FBKQIBBUSA-N -1 3 301.361 4.373 20 30 DIEDHM COc1ccc(Nc2ccc([O-])c(C(F)(F)F)c2)cc1C#N ZINC001209986296 1050117504 /nfs/dbraw/zinc/11/75/04/1050117504.db2.gz XLHXAZOYPLIYCR-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM N#Cc1c(F)ccc(F)c1Nc1ccc([O-])c(C(F)(F)F)c1 ZINC001209987534 1050117731 /nfs/dbraw/zinc/11/77/31/1050117731.db2.gz RMUSDUNLPVPXAS-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM CC(C)(C)c1csc([N-]C(=O)c2coc(C3CC3)n2)c1C#N ZINC000590996734 1050118146 /nfs/dbraw/zinc/11/81/46/1050118146.db2.gz KWAQFBIFVWSKMI-UHFFFAOYSA-N -1 3 315.398 4.035 20 30 DIEDHM N#Cc1cc(OC(F)(F)F)ccc1Nc1ccc(F)cc1[O-] ZINC001210020570 1050123346 /nfs/dbraw/zinc/12/33/46/1050123346.db2.gz REHVORYUEOTXII-UHFFFAOYSA-N -1 3 312.222 4.045 20 30 DIEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000770568323 1050169621 /nfs/dbraw/zinc/16/96/21/1050169621.db2.gz JTYLVFYXAGHYMG-XQKIYHOTSA-N -1 3 321.779 4.380 20 30 DIEDHM CCOc1ccc(C=Nc2ccc(OC(C)C)c(C#N)c2)c([O-])c1 ZINC000771836854 1050284472 /nfs/dbraw/zinc/28/44/72/1050284472.db2.gz QHJVBHPQCBSDLJ-UHFFFAOYSA-N -1 3 324.380 4.200 20 30 DIEDHM N#Cc1cc(Nc2c(Cl)cccc2Br)ccc1[O-] ZINC001210529330 1050284788 /nfs/dbraw/zinc/28/47/88/1050284788.db2.gz GCQAZVKRSIDZTJ-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM COc1cc(C(=O)/C=C\c2cscc2Cl)c(OC)cc1[O-] ZINC000771862064 1050286475 /nfs/dbraw/zinc/28/64/75/1050286475.db2.gz YDCIDIZIUVICJJ-ARJAWSKDSA-N -1 3 324.785 4.020 20 30 DIEDHM N#Cc1ccc(F)c(F)c1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210827310 1050384413 /nfs/dbraw/zinc/38/44/13/1050384413.db2.gz ZRTHRERJBJIQET-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM CCCCCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001211011322 1050444843 /nfs/dbraw/zinc/44/48/43/1050444843.db2.gz SBMNBWRNIDXPBD-UHFFFAOYSA-N -1 3 321.845 4.118 20 30 DIEDHM CC(C)(C#N)CCCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786136476 1050457838 /nfs/dbraw/zinc/45/78/38/1050457838.db2.gz HNEQXCJVJRXVOB-UHFFFAOYSA-N -1 3 317.410 4.484 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])ccc1[O-] ZINC000739425249 1050574266 /nfs/dbraw/zinc/57/42/66/1050574266.db2.gz NOSKUQFMOUYBOR-FARCUNLSSA-N -1 3 317.728 4.158 20 30 DIEDHM CCOc1ccc(Nc2cc(C#N)ccc2[O-])c(C(F)(F)F)c1 ZINC001213236505 1050614563 /nfs/dbraw/zinc/61/45/63/1050614563.db2.gz PORBPVBJPLIQQR-UHFFFAOYSA-N -1 3 322.286 4.425 20 30 DIEDHM N#Cc1c2c(sc1Nc1cc(F)c([O-])c(F)c1)CCCC2 ZINC001213370794 1050640011 /nfs/dbraw/zinc/64/00/11/1050640011.db2.gz NIWMDWCIOKFTPC-UHFFFAOYSA-N -1 3 306.337 4.226 20 30 DIEDHM COc1cc(C(=O)/C=C/c2cccc3c2OC(C)(C)C3)ccc1[O-] ZINC000737442724 1050725052 /nfs/dbraw/zinc/72/50/52/1050725052.db2.gz DSICATZYUGYJTN-VQHVLOKHSA-N -1 3 324.376 4.010 20 30 DIEDHM COc1cccc(F)c1[C@@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000741844823 1050752980 /nfs/dbraw/zinc/75/29/80/1050752980.db2.gz QHSFTZWROMTFTH-XTTRTJGBSA-N -1 3 307.752 4.373 20 30 DIEDHM CCO[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])C12CCCC2 ZINC000743044012 1050978118 /nfs/dbraw/zinc/97/81/18/1050978118.db2.gz CMRPLMBQNHZMNN-PZRWJEIXSA-N -1 3 307.821 4.202 20 30 DIEDHM Cc1cccc2oc(CC/N=C/c3cc(Cl)ccc3[O-])nc21 ZINC000743045348 1050979308 /nfs/dbraw/zinc/97/93/08/1050979308.db2.gz GPDDIHIAJXZPGN-VXLYETTFSA-N -1 3 314.772 4.157 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1ccc2ccccc2n1 ZINC000743538828 1051042510 /nfs/dbraw/zinc/04/25/10/1051042510.db2.gz OLOXPIXFTPXQOK-NDENLUEZSA-N -1 3 310.784 4.255 20 30 DIEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nccc2ccccc21 ZINC000792105971 1051115960 /nfs/dbraw/zinc/11/59/60/1051115960.db2.gz OPFQADNTHPXDGY-GIFJBRJJSA-N -1 3 316.335 4.264 20 30 DIEDHM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)cc(Cl)n1 ZINC000792092368 1051117911 /nfs/dbraw/zinc/11/79/11/1051117911.db2.gz AZJIQPMNJSFBFN-OAHLLOKOSA-N -1 3 321.767 4.082 20 30 DIEDHM C#CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000792274663 1051131873 /nfs/dbraw/zinc/13/18/73/1051131873.db2.gz HFNOIBTZMWIYCQ-LJQANCHMSA-N -1 3 315.372 4.040 20 30 DIEDHM CCCOc1c(F)cc(F)c(Nc2cc(C#N)ccc2[O-])c1F ZINC001212649294 1051329605 /nfs/dbraw/zinc/32/96/05/1051329605.db2.gz YEABBMHEQHHJBE-UHFFFAOYSA-N -1 3 322.286 4.214 20 30 DIEDHM Cc1ccc(F)c(Nc2ccc(N3CCCC3)c(C#N)c2)c1[O-] ZINC001215741328 1051335195 /nfs/dbraw/zinc/33/51/95/1051335195.db2.gz JRXBQAWHFHLXKM-UHFFFAOYSA-N -1 3 311.360 4.055 20 30 DIEDHM CCCCCCCC[C@H](CCC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001173309752 1051681470 /nfs/dbraw/zinc/68/14/70/1051681470.db2.gz KTKZBKAGEDILOM-INIZCTEOSA-N -1 3 321.442 4.453 20 30 DIEDHM COc1ccc(C#N)cc1N=Cc1c([O-])ccc2ccccc21 ZINC000747362216 1051863284 /nfs/dbraw/zinc/86/32/84/1051863284.db2.gz SDXIKBGATWDDQY-UHFFFAOYSA-N -1 3 302.333 4.176 20 30 DIEDHM CC(C)c1cccc(-c2nc(-c3cc(F)cc(C#N)c3)no2)c1[O-] ZINC001217014397 1051929788 /nfs/dbraw/zinc/92/97/88/1051929788.db2.gz LFCRCGDNNZCJIP-UHFFFAOYSA-N -1 3 323.327 4.243 20 30 DIEDHM COc1cc(/C=C\C(=O)c2cccc(C)c2)cc(Cl)c1[O-] ZINC000916153600 1052593099 /nfs/dbraw/zinc/59/30/99/1052593099.db2.gz WBYOZBBWSWWTTN-SREVYHEPSA-N -1 3 302.757 4.259 20 30 DIEDHM COc1cc(C=NNc2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000916246548 1052598080 /nfs/dbraw/zinc/59/80/80/1052598080.db2.gz CKKXCXYCEPCKEB-UHFFFAOYSA-N -1 3 311.168 4.154 20 30 DIEDHM CC(=NN=c1[nH]c2ccccc2s1)c1cc(Cl)ccc1[O-] ZINC000916249110 1052598280 /nfs/dbraw/zinc/59/82/80/1052598280.db2.gz YXVDPLZGJNBYJW-UHFFFAOYSA-N -1 3 317.801 4.491 20 30 DIEDHM COc1cc(C=NNc2ccccc2Cl)cc(Cl)c1[O-] ZINC000916262199 1052599738 /nfs/dbraw/zinc/59/97/38/1052599738.db2.gz BMFXOJOJGKVZHS-UHFFFAOYSA-N -1 3 311.168 4.154 20 30 DIEDHM CCOc1cc(C=NNc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000916268330 1052600461 /nfs/dbraw/zinc/60/04/61/1052600461.db2.gz ZAPCHQMCYPOLJM-UHFFFAOYSA-N -1 3 308.740 4.029 20 30 DIEDHM COc1cc(C=NNc2cccc(Cl)c2)cc(Cl)c1[O-] ZINC000916269270 1052600593 /nfs/dbraw/zinc/60/05/93/1052600593.db2.gz BWAGAOXMWVTKPR-UHFFFAOYSA-N -1 3 311.168 4.154 20 30 DIEDHM CCCC[C@H](C)O/C(=N\[O-])c1ccccc1Br ZINC001223884465 1052647183 /nfs/dbraw/zinc/64/71/83/1052647183.db2.gz KLDGJQIDBCVYGK-ZSNVJIKNSA-N -1 3 300.196 4.180 20 30 DIEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1O/C(=N\[O-])c1cc(F)ccc1F ZINC001223890469 1052648248 /nfs/dbraw/zinc/64/82/48/1052648248.db2.gz VCLZVGJLQYUAHX-GBYXNJIPSA-N -1 3 309.356 4.498 20 30 DIEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC001223975807 1052656908 /nfs/dbraw/zinc/65/69/08/1052656908.db2.gz FXSRTSZJGHLXEU-JEPWKTLESA-N -1 3 310.275 4.014 20 30 DIEDHM [O-]/N=C(\OC1c2ccccc2Oc2ccccc21)c1ccccn1 ZINC001223976240 1052657541 /nfs/dbraw/zinc/65/75/41/1052657541.db2.gz OZBUWDRRBFYQRK-VZCXRCSSSA-N -1 3 318.332 4.129 20 30 DIEDHM COc1cc(C)ccc1N=Cc1cc(Br)ccc1[O-] ZINC000917557709 1052738368 /nfs/dbraw/zinc/73/83/68/1052738368.db2.gz SMMJRKUGBFSGPW-UHFFFAOYSA-N -1 3 320.186 4.222 20 30 DIEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000917556427 1052738616 /nfs/dbraw/zinc/73/86/16/1052738616.db2.gz ADXAZXWFUAJMHP-HLGUWXJESA-N -1 3 304.733 4.134 20 30 DIEDHM Cc1cc(=O)c(C#N)c(OC2c3ccccc3-c3ccccc32)[n-]1 ZINC001225468936 1052792033 /nfs/dbraw/zinc/79/20/33/1052792033.db2.gz GAPWNEIAOOOENS-UHFFFAOYSA-N -1 3 314.344 4.116 20 30 DIEDHM C=C[C@H](C)Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226492121 1052902479 /nfs/dbraw/zinc/90/24/79/1052902479.db2.gz SKSWQZNPXXPHEZ-LBPRGKRZSA-N -1 3 308.333 4.119 20 30 DIEDHM CC(C)C(=O)Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000920941942 1052955148 /nfs/dbraw/zinc/95/51/48/1052955148.db2.gz AMOJUWQONFGWLQ-UHFFFAOYSA-N -1 3 316.788 4.391 20 30 DIEDHM CCOc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1OC ZINC000920947141 1052956740 /nfs/dbraw/zinc/95/67/40/1052956740.db2.gz CTODMDGNBOQPPA-UHFFFAOYSA-N -1 3 305.761 4.204 20 30 DIEDHM [O-]c1ccc(Br)cc1C=Nc1cccc(F)c1F ZINC000921261887 1052966615 /nfs/dbraw/zinc/96/66/15/1052966615.db2.gz WBPLTOGYPSUJJK-UHFFFAOYSA-N -1 3 312.113 4.184 20 30 DIEDHM COc1cc(/C=C2\Cc3c(cccc3F)C2=O)cc(Cl)c1[O-] ZINC000921266936 1052967831 /nfs/dbraw/zinc/96/78/31/1052967831.db2.gz SUVLHYAAEZVLFN-BJMVGYQFSA-N -1 3 318.731 4.016 20 30 DIEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1c(Cl)cncc1Cl ZINC001227351649 1052984029 /nfs/dbraw/zinc/98/40/29/1052984029.db2.gz WVAPPQXMLHCLMZ-MRVPVSSYSA-N -1 3 309.152 4.106 20 30 DIEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1cc(-c2ccccc2)no1 ZINC001227351009 1052984234 /nfs/dbraw/zinc/98/42/34/1052984234.db2.gz RQZCJAMEENEQMH-LBPRGKRZSA-N -1 3 306.321 4.059 20 30 DIEDHM C=CCC(CC=C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937198 1053030511 /nfs/dbraw/zinc/03/05/11/1053030511.db2.gz FFIKBZYUZUPSSH-UHFFFAOYSA-N -1 3 324.376 4.228 20 30 DIEDHM C[C@@H](CS)Oc1ccccc1N=CC=Nc1ccccc1[O-] ZINC001228126314 1053045952 /nfs/dbraw/zinc/04/59/52/1053045952.db2.gz DWJYINUWWHUHRS-ZDUSSCGKSA-N -1 3 314.410 4.194 20 30 DIEDHM Cc1cc(=O)oc2cc(N=Cc3cc(Cl)ccc3[O-])ccc12 ZINC001317711621 1053127613 /nfs/dbraw/zinc/12/76/13/1053127613.db2.gz FCFPJANNTQQQEB-UHFFFAOYSA-N -1 3 313.740 4.211 20 30 DIEDHM C=CCOc1ccccc1[C@H](C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228853788 1053192588 /nfs/dbraw/zinc/19/25/88/1053192588.db2.gz KTXVEMJTQIEKHI-ZDUSSCGKSA-N -1 3 324.376 4.226 20 30 DIEDHM C=CCOc1ccccc1[C@@H](C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228853787 1053193050 /nfs/dbraw/zinc/19/30/50/1053193050.db2.gz KTXVEMJTQIEKHI-CYBMUJFWSA-N -1 3 324.376 4.226 20 30 DIEDHM CSc1ccccc1C(=O)/C=C\c1c(F)ccc([O-])c1F ZINC001321668888 1053428559 /nfs/dbraw/zinc/42/85/59/1053428559.db2.gz XOAKRXHVTHJWME-VURMDHGXSA-N -1 3 306.333 4.288 20 30 DIEDHM Cc1ccc([O-])c2c1[C@H](C)/C(=C\c1csc([N+](=O)[O-])c1)C2=O ZINC001321764090 1053432322 /nfs/dbraw/zinc/43/23/22/1053432322.db2.gz DTFZGIOMKVYKRT-JTTRITNRSA-N -1 3 315.350 4.054 20 30 DIEDHM Cc1ccc([O-])c2c1[C@@H](C)/C(=C/c1csc([N+](=O)[O-])c1)C2=O ZINC001321764089 1053432465 /nfs/dbraw/zinc/43/24/65/1053432465.db2.gz DTFZGIOMKVYKRT-BVBCSLMJSA-N -1 3 315.350 4.054 20 30 DIEDHM C[C@H](Oc1ccccc1/C=N/c1ccccc1[O-])c1cncnc1 ZINC001229937398 1053434075 /nfs/dbraw/zinc/43/40/75/1053434075.db2.gz MAJLLARTBGDAMC-OFJBCHTGSA-N -1 3 319.364 4.073 20 30 DIEDHM CCCOC[C@H](C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934126 1053434285 /nfs/dbraw/zinc/43/42/85/1053434285.db2.gz UTYAPJFWOMNPIH-NPRIEWAGSA-N -1 3 313.397 4.337 20 30 DIEDHM C[C@H](Oc1ccccc1/C=N/c1ccccc1[O-])C(F)(F)F ZINC001229933002 1053434586 /nfs/dbraw/zinc/43/45/86/1053434586.db2.gz KLULIRHPULRBEZ-KKBVUKDESA-N -1 3 309.287 4.472 20 30 DIEDHM C#C[C@@H](CC)Oc1cc(C(=O)c2ccc(Cl)cc2)ccc1[O-] ZINC001230452980 1053541408 /nfs/dbraw/zinc/54/14/08/1053541408.db2.gz LGMQQCQWXZPKRL-HNNXBMFYSA-N -1 3 314.768 4.067 20 30 DIEDHM N#Cc1ccc([O-])c(CN2CCC[C@@H]2c2ccc(Cl)s2)c1 ZINC001232678467 1054097539 /nfs/dbraw/zinc/09/75/39/1054097539.db2.gz AJNZBIURLCMUJR-CYBMUJFWSA-N -1 3 318.829 4.316 20 30 DIEDHM N#CCCN(Cc1ccc(F)c(F)c1[O-])C1CCCCCCC1 ZINC001233077642 1054183342 /nfs/dbraw/zinc/18/33/42/1054183342.db2.gz RTQLVVWFQAJFKD-UHFFFAOYSA-N -1 3 322.399 4.499 20 30 DIEDHM C=CCN(Cc1ccccc1)Cc1ccc(OC)c([O-])c1Cl ZINC001233401411 1054262602 /nfs/dbraw/zinc/26/26/02/1054262602.db2.gz YJAQIRCWZSQDIC-UHFFFAOYSA-N -1 3 317.816 4.242 20 30 DIEDHM C=CCC(CC=C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233497879 1054282375 /nfs/dbraw/zinc/28/23/75/1054282375.db2.gz IYCJGYZNTRAPPX-UHFFFAOYSA-N -1 3 307.737 4.024 20 30 DIEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC001234142968 1054439641 /nfs/dbraw/zinc/43/96/41/1054439641.db2.gz YRKLZLHENYQZGJ-JTQLQIEISA-N -1 3 307.271 4.423 20 30 DIEDHM C=C[C@]1(C)CC[C@H](Oc2c([O-])cc(Cl)cc2F)C(C)(C)O1 ZINC001234444329 1054524658 /nfs/dbraw/zinc/52/46/58/1054524658.db2.gz OMPFENIUSIVNAA-XJKSGUPXSA-N -1 3 314.784 4.466 20 30 DIEDHM CCCCCCCCOCC(=O)Nc1cc(Cl)ccc1[O-] ZINC001546000080 1054575496 /nfs/dbraw/zinc/57/54/96/1054575496.db2.gz AAXPBVYGCYOOAI-UHFFFAOYSA-N -1 3 313.825 4.361 20 30 DIEDHM C=C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccccc1 ZINC001234693089 1054577750 /nfs/dbraw/zinc/57/77/50/1054577750.db2.gz TWGXWRAJPSVZNV-MRXNPFEDSA-N -1 3 304.349 4.155 20 30 DIEDHM C=C[C@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)c1ccccc1 ZINC001234792803 1054591837 /nfs/dbraw/zinc/59/18/37/1054591837.db2.gz ITEQFSQRTZBBOA-INIZCTEOSA-N -1 3 312.365 4.218 20 30 DIEDHM CCC(=NNc1ccc2ccccc2n1)c1ccc([O-])c(F)c1 ZINC000764657160 1055228307 /nfs/dbraw/zinc/22/83/07/1055228307.db2.gz FQEFVZIIIBKDLU-UHFFFAOYSA-N -1 3 309.344 4.306 20 30 DIEDHM CC(C)n1cc2c(n1)[C@H](/N=C\c1cc(Cl)ccc1[O-])CCC2 ZINC000764888186 1055280901 /nfs/dbraw/zinc/28/09/01/1055280901.db2.gz QPMABDHTMOLWHH-HBFFOVPNSA-N -1 3 317.820 4.320 20 30 DIEDHM N#Cc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001238844675 1055765448 /nfs/dbraw/zinc/76/54/48/1055765448.db2.gz PFNZPJXGGUVSQD-JWGURIENSA-N -1 3 316.282 4.369 20 30 DIEDHM CCS[C@@H](C(=O)N([O-])CCCCc1ccccc1)C(C)C ZINC001649051947 1055768101 /nfs/dbraw/zinc/76/81/01/1055768101.db2.gz MCZQLLIOQDNINI-MRXNPFEDSA-N -1 3 309.475 4.005 20 30 DIEDHM CCCCCCN([O-])C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC001649056572 1055784534 /nfs/dbraw/zinc/78/45/34/1055784534.db2.gz CZDNWRWOIYLGPO-HNNXBMFYSA-N -1 3 311.809 4.100 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](C)Cc1ccc(OCC)cc1 ZINC001649056670 1055786780 /nfs/dbraw/zinc/78/67/80/1055786780.db2.gz FVCAOVDGJZZSOE-HNNXBMFYSA-N -1 3 307.434 4.062 20 30 DIEDHM CC(C)(C(=O)N([O-])Cc1cccc2ccccc21)C(C)(F)F ZINC001649069664 1055879457 /nfs/dbraw/zinc/87/94/57/1055879457.db2.gz GTMMJPRBFXWPGM-UHFFFAOYSA-N -1 3 307.340 4.239 20 30 DIEDHM O=C(c1ccnc(C2CC2)c1)N([O-])Cc1cccc2ccccc21 ZINC001649069638 1055879793 /nfs/dbraw/zinc/87/97/93/1055879793.db2.gz FWNFLBYZVOKYGD-UHFFFAOYSA-N -1 3 318.376 4.144 20 30 DIEDHM O=C([C@@H]1C[C@H]1c1ccccc1)N([O-])Cc1cccc2ccccc21 ZINC001649070394 1055880530 /nfs/dbraw/zinc/88/05/30/1055880530.db2.gz ZGGUJIVFDVZFQT-VQTJNVASSA-N -1 3 317.388 4.361 20 30 DIEDHM CCCCN([O-])C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001611657722 1056178405 /nfs/dbraw/zinc/17/84/05/1056178405.db2.gz DXYVDIGJTXXECI-UHFFFAOYSA-N -1 3 320.776 4.159 20 30 DIEDHM O=C(C[C@@H]1CCC(F)(F)C1)N([O-])Cc1cccc2ccccc21 ZINC001611662402 1056181447 /nfs/dbraw/zinc/18/14/47/1056181447.db2.gz GKXFZOUPFSEHQW-ZDUSSCGKSA-N -1 3 319.351 4.383 20 30 DIEDHM C=CCCO[N-]C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001168627385 1056223330 /nfs/dbraw/zinc/22/33/30/1056223330.db2.gz PMPXHPZOTYUUDN-LJQANCHMSA-N -1 3 309.409 4.027 20 30 DIEDHM CC(C)(C)c1cc([N-]C(=O)c2sccc2C#N)c(C#N)s1 ZINC000091208370 1056272530 /nfs/dbraw/zinc/27/25/30/1056272530.db2.gz NNCDSZFGPSSXMK-UHFFFAOYSA-N -1 3 315.423 4.103 20 30 DIEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001584397892 1056334986 /nfs/dbraw/zinc/33/49/86/1056334986.db2.gz KKGOWIBVHTVSTN-YOEHRIQHSA-N -1 3 301.430 4.380 20 30 DIEDHM [O-]/N=C/c1ccc(-c2ccc(Oc3cccnc3)cc2)cc1F ZINC001240883886 1056740609 /nfs/dbraw/zinc/74/06/09/1056740609.db2.gz MTNMFGDAGNLPTE-SRZZPIQSSA-N -1 3 308.312 4.488 20 30 DIEDHM COc1ccc2ccc([O-])c(CN3CCCC(C)(C)[C@@H]3C#N)c2c1 ZINC000766111792 1057346702 /nfs/dbraw/zinc/34/67/02/1057346702.db2.gz NJPOFIRLMWKCHX-IBGZPJMESA-N -1 3 324.424 4.068 20 30 DIEDHM N#Cc1c2ccccc2cnc1-c1cc([O-])cc(C(F)(F)F)c1 ZINC001242781008 1057473357 /nfs/dbraw/zinc/47/33/57/1057473357.db2.gz WHWYZGOAULAGGD-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM N#CCc1ccc(-c2cc([O-])cc(C(F)(F)F)c2)cc1C#N ZINC001242782259 1057473672 /nfs/dbraw/zinc/47/36/72/1057473672.db2.gz LIBUQJOYGUZAGC-UHFFFAOYSA-N -1 3 302.255 4.016 20 30 DIEDHM N#Cc1c(F)ccc(-c2cc([O-])cc(OC(F)(F)F)c2)c1F ZINC001242988804 1057537762 /nfs/dbraw/zinc/53/77/62/1057537762.db2.gz FMLGWTMODASSLR-UHFFFAOYSA-N -1 3 315.197 4.108 20 30 DIEDHM CC[C@H](/N=C/c1cc(Cl)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000727265743 1057645376 /nfs/dbraw/zinc/64/53/76/1057645376.db2.gz WQWMWROUUNPZAG-UZPSYVQNSA-N -1 3 313.788 4.492 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCOc2ccccc21 ZINC000731155978 1057735921 /nfs/dbraw/zinc/73/59/21/1057735921.db2.gz XQMBHGFAUFLDBH-ZDFPAGSVSA-N -1 3 301.773 4.031 20 30 DIEDHM CCCN(CCC)C(=O)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001244217410 1057903060 /nfs/dbraw/zinc/90/30/60/1057903060.db2.gz NCJSCNZCNWWFMR-UHFFFAOYSA-N -1 3 324.424 4.424 20 30 DIEDHM Cc1cc(-c2ccc(C3(C#N)CCOCC3)cc2)cc([O-])c1F ZINC001244516700 1057983387 /nfs/dbraw/zinc/98/33/87/1057983387.db2.gz BYSAYMYXLJBYBL-UHFFFAOYSA-N -1 3 311.356 4.079 20 30 DIEDHM O=C(O[C@H]1CC=C(c2ccccc2C=N[O-])CC1)c1ccccc1 ZINC001244804797 1058050649 /nfs/dbraw/zinc/05/06/49/1058050649.db2.gz JGKVOSUPQLXMLS-SFHVURJKSA-N -1 3 321.376 4.288 20 30 DIEDHM COc1cc(-c2cccc(/C=N/[O-])c2)ccc1OC(F)(F)F ZINC001245715656 1058390893 /nfs/dbraw/zinc/39/08/93/1058390893.db2.gz ZKUZSLXTPLKTNZ-DJKKODMXSA-N -1 3 311.259 4.069 20 30 DIEDHM CSc1cc(C)ccc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC001529236338 1058648447 /nfs/dbraw/zinc/64/84/47/1058648447.db2.gz OHLGEFMJOUUKKW-UHFFFAOYSA-N -1 3 318.348 4.119 20 30 DIEDHM O=C(CCc1ccc(Cl)cc1)N([O-])Cc1ccccc1Cl ZINC001559032727 1058939663 /nfs/dbraw/zinc/93/96/63/1058939663.db2.gz GISINEYXADQGQQ-UHFFFAOYSA-N -1 3 324.207 4.344 20 30 DIEDHM C[C@@H]1[C@@H](C(=O)N([O-])CCCCc2ccccc2)[C@@H]1c1ccccc1 ZINC001559034206 1058942975 /nfs/dbraw/zinc/94/29/75/1058942975.db2.gz QMJUGWAZNCMVBC-FFZOFVMBSA-N -1 3 323.436 4.277 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2cnc(Cl)c(Cl)c2Cl)c1 ZINC001250200682 1060680227 /nfs/dbraw/zinc/68/02/27/1060680227.db2.gz MLQSVCNPYOOJRC-UHFFFAOYSA-N -1 3 314.559 4.363 20 30 DIEDHM Cc1noc([N-]c2cc(F)cc(C(F)(F)F)c2Cl)c1C#N ZINC001250243426 1060725832 /nfs/dbraw/zinc/72/58/32/1060725832.db2.gz OUZSAZIOZHEOFQ-UHFFFAOYSA-N -1 3 319.645 4.410 20 30 DIEDHM C#Cc1ccc(NCc2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC001561040884 1060894278 /nfs/dbraw/zinc/89/42/78/1060894278.db2.gz CKPMURYEPMYJCS-UHFFFAOYSA-N -1 3 301.773 4.038 20 30 DIEDHM C=CCc1cccc(-c2nc3c(ccc4ncccc34)n2C)c1[O-] ZINC001250712697 1061034848 /nfs/dbraw/zinc/03/48/48/1061034848.db2.gz KDIQVHBTUWDUFK-UHFFFAOYSA-N -1 3 315.376 4.223 20 30 DIEDHM Cc1ccccc1C[C@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC001457994104 1061535656 /nfs/dbraw/zinc/53/56/56/1061535656.db2.gz PJZSZFKMIXFKRZ-AWEZNQCLSA-N -1 3 317.816 4.245 20 30 DIEDHM CCc1ccc(F)cc1C(=O)N([O-])Cc1ccccc1Cl ZINC001457996037 1061536584 /nfs/dbraw/zinc/53/65/84/1061536584.db2.gz XOEXKQVLDSFHLN-UHFFFAOYSA-N -1 3 307.752 4.073 20 30 DIEDHM O=C([C@H]1CC2CCC1CC2)N([O-])CCCCc1ccccc1 ZINC001458007938 1061538995 /nfs/dbraw/zinc/53/89/95/1061538995.db2.gz LSBJPYJENOHDPD-ABHNRTSZSA-N -1 3 301.430 4.053 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001458011045 1061540215 /nfs/dbraw/zinc/54/02/15/1061540215.db2.gz LGPPAHHZSRTEOZ-NEPJUHHUSA-N -1 3 315.335 4.006 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cc(C)n(C2CCCCC2)n1 ZINC001458012127 1061540277 /nfs/dbraw/zinc/54/02/77/1061540277.db2.gz RMTSSIJUBIAKLJ-UHFFFAOYSA-N -1 3 307.438 4.108 20 30 DIEDHM CCCCCCN([O-])C(=O)c1ncoc1-c1ccccc1Cl ZINC001458012788 1061541459 /nfs/dbraw/zinc/54/14/59/1061541459.db2.gz XKJGDOFLBUFPRH-UHFFFAOYSA-N -1 3 322.792 4.407 20 30 DIEDHM CCCCCCCC[C@@H](O)CNc1ccc(F)c(F)c1[O-] ZINC001252130905 1061588389 /nfs/dbraw/zinc/58/83/89/1061588389.db2.gz AWWHAYRHNCDJFM-GFCCVEGCSA-N -1 3 301.377 4.194 20 30 DIEDHM CCCCCCCC[C@@H](O)CNc1cc(F)c([O-])cc1F ZINC001252131748 1061588466 /nfs/dbraw/zinc/58/84/66/1061588466.db2.gz UDLANQJTNXPZIW-GFCCVEGCSA-N -1 3 301.377 4.194 20 30 DIEDHM C=CCN(Cc1ccccc1)Cc1c([O-])ccc(Cl)c1F ZINC001474334311 1061928088 /nfs/dbraw/zinc/92/80/88/1061928088.db2.gz LFPKDHFTOWTGIN-UHFFFAOYSA-N -1 3 305.780 4.373 20 30 DIEDHM CCCCCCC[C@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC001468156714 1062270821 /nfs/dbraw/zinc/27/08/21/1062270821.db2.gz NHSZYRYJALQWSV-AWEZNQCLSA-N -1 3 324.440 4.327 20 30 DIEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001475526417 1062512935 /nfs/dbraw/zinc/51/29/35/1062512935.db2.gz BNJHSHLJMUQRBQ-UHFFFAOYSA-N -1 3 322.257 4.017 20 30 DIEDHM O=C(C1[C@@H]2CCCCCC[C@@H]12)N([O-])Cc1ccccc1Cl ZINC001472620326 1063109767 /nfs/dbraw/zinc/10/97/67/1063109767.db2.gz XWPLAKLAQKNAMM-ZIAGYGMSSA-N -1 3 307.821 4.274 20 30 DIEDHM C[C@H](C(=O)N([O-])CCCCc1ccccc1)c1ccccc1F ZINC001472620087 1063110300 /nfs/dbraw/zinc/11/03/00/1063110300.db2.gz OAUUYPCHCUVLQR-HNNXBMFYSA-N -1 3 315.388 4.170 20 30 DIEDHM CC(C)=C[C@@H]1[C@H](C(=O)N([O-])CCCCc2ccccc2)C1(C)C ZINC001306896258 1065198602 /nfs/dbraw/zinc/19/86/02/1065198602.db2.gz PKIYWUKMFDFIOA-QZTJIDSGSA-N -1 3 315.457 4.466 20 30 DIEDHM CC(C)=C[C@@H]1[C@@H](C(=O)N([O-])CCCCc2ccccc2)C1(C)C ZINC001306896257 1065198983 /nfs/dbraw/zinc/19/89/83/1065198983.db2.gz PKIYWUKMFDFIOA-MSOLQXFVSA-N -1 3 315.457 4.466 20 30 DIEDHM O=C(C[C@@H]1CCCC1(F)F)N([O-])CCCCc1ccccc1 ZINC001306896133 1065199338 /nfs/dbraw/zinc/19/93/38/1065199338.db2.gz LCCIPENCKILMHB-HNNXBMFYSA-N -1 3 311.372 4.053 20 30 DIEDHM Cc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cc1C#N ZINC001306900082 1065200754 /nfs/dbraw/zinc/20/07/54/1065200754.db2.gz IYOKWLQEZGVTDO-UHFFFAOYSA-N -1 3 316.360 4.052 20 30 DIEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3cncs3)sc21 ZINC000297835986 132036284 /nfs/dbraw/zinc/03/62/84/132036284.db2.gz MYBUSOWDRYNIEG-DTWKUNHWSA-N -1 3 317.439 4.014 20 30 DIEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2c(F)cccc2F)s1 ZINC000297935894 132041681 /nfs/dbraw/zinc/04/16/81/132041681.db2.gz ZJRXMEBTOJESQA-UHFFFAOYSA-N -1 3 320.364 4.448 20 30 DIEDHM CC(C)c1cc(C(=O)N(C)[C@H](C)CC#N)c([O-])c(C(C)C)c1 ZINC000094107652 332147523 /nfs/dbraw/zinc/14/75/23/332147523.db2.gz KKHLKJRVCLSHKY-CYBMUJFWSA-N -1 3 302.418 4.013 20 30 DIEDHM C[C@@](C#N)(NC(=O)c1cc([O-])c2ccccc2c1)C1CCCCC1 ZINC000584266403 332176429 /nfs/dbraw/zinc/17/64/29/332176429.db2.gz SZKQOIKODDBHBS-FQEVSTJZSA-N -1 3 322.408 4.138 20 30 DIEDHM C[C@](C#N)(NC(=O)c1cc([O-])c2ccccc2c1)C1CCCCC1 ZINC000584266404 332176625 /nfs/dbraw/zinc/17/66/25/332176625.db2.gz SZKQOIKODDBHBS-HXUWFJFHSA-N -1 3 322.408 4.138 20 30 DIEDHM C=CC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000580319605 333146551 /nfs/dbraw/zinc/14/65/51/333146551.db2.gz QUAAZYPIZYEDQH-CQSZACIVSA-N -1 3 314.212 4.017 20 30 DIEDHM CCCCCCCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000270044814 334006813 /nfs/dbraw/zinc/00/68/13/334006813.db2.gz LQIFDNCKXFHQJO-UHFFFAOYSA-N -1 3 300.402 4.031 20 30 DIEDHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])C1CCOCC1 ZINC000331230550 334843444 /nfs/dbraw/zinc/84/34/44/334843444.db2.gz HCCQBDXQBOGRLC-INIZCTEOSA-N -1 3 305.418 4.025 20 30 DIEDHM Cc1csc([N-]C(=O)c2oc(-c3ccccc3)nc2C)c1C#N ZINC000344932091 335286215 /nfs/dbraw/zinc/28/62/15/335286215.db2.gz VFCVCDBVJBQAMF-UHFFFAOYSA-N -1 3 323.377 4.144 20 30 DIEDHM CC(C)c1ccc2occ(C([O-])=C(C#N)c3ccccn3)c2c1 ZINC000347752878 335526988 /nfs/dbraw/zinc/52/69/88/335526988.db2.gz FVPAGSAIHBWASF-HNNXBMFYSA-N -1 3 304.349 4.441 20 30 DIEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC23CCCCC3)c1 ZINC000329134263 335944597 /nfs/dbraw/zinc/94/45/97/335944597.db2.gz ZNAAKTJSXLDYJN-HNNXBMFYSA-N -1 3 302.374 4.028 20 30 DIEDHM O=C(NCC1CCC(c2ccccc2)CC1)c1csc(=O)[n-]1 ZINC000329971192 336101267 /nfs/dbraw/zinc/10/12/67/336101267.db2.gz YGZAMFWAUKAXNW-UHFFFAOYSA-N -1 3 316.426 4.127 20 30 DIEDHM Cc1sc([N-]C(=O)c2ccoc2C(F)(F)F)c(C#N)c1C ZINC000361280084 336748170 /nfs/dbraw/zinc/74/81/70/336748170.db2.gz GKDHIDYGYBWZCI-UHFFFAOYSA-N -1 3 314.288 4.101 20 30 DIEDHM Cc1ccc(-c2ccc(C([O-])=C(C#N)c3ccccn3)s2)o1 ZINC000181514722 337182782 /nfs/dbraw/zinc/18/27/82/337182782.db2.gz ARIATNGHOUEDRR-LBPRGKRZSA-N -1 3 308.362 4.202 20 30 DIEDHM N#CC(=C([O-])c1ccccc1-c1ccccc1C#N)c1ccccn1 ZINC000041482069 337402121 /nfs/dbraw/zinc/40/21/21/337402121.db2.gz IZCMFMYFFZXRAQ-IBGZPJMESA-N -1 3 323.355 4.110 20 30 DIEDHM CCN(C(=O)c1ccc(C)c(C)c1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000436543233 338276369 /nfs/dbraw/zinc/27/63/69/338276369.db2.gz DDQFGMVYYQMEMV-HNNXBMFYSA-N -1 3 322.408 4.104 20 30 DIEDHM C=CCC(CC=C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000452758560 338778096 /nfs/dbraw/zinc/77/80/96/338778096.db2.gz SHPAWKYLWRFMFS-UHFFFAOYSA-N -1 3 324.218 4.170 20 30 DIEDHM Cc1sc([N-]C(=O)c2scnc2C(C)C)c(C#N)c1C ZINC000459844921 339049944 /nfs/dbraw/zinc/04/99/44/339049944.db2.gz KIHVGDRFWZCTNV-UHFFFAOYSA-N -1 3 305.428 4.069 20 30 DIEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(C)c1 ZINC000464411162 339141560 /nfs/dbraw/zinc/14/15/60/339141560.db2.gz LBXWYDSMSYKYTK-AWEZNQCLSA-N -1 3 318.298 4.207 20 30 DIEDHM C=CCn1c(S[C@@H](C)c2ccc3ccccc3c2)n[n-]c1=O ZINC000470839706 339329023 /nfs/dbraw/zinc/32/90/23/339329023.db2.gz KSVDXFNSGISGCG-LBPRGKRZSA-N -1 3 311.410 4.176 20 30 DIEDHM CCC(C)(C)c1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000511939512 340343335 /nfs/dbraw/zinc/34/33/35/340343335.db2.gz DBXCEXFXKFDHHV-QGZVFWFLSA-N -1 3 321.424 4.271 20 30 DIEDHM CC(C)(C)c1cc([N-]C(=O)c2ccc(C#N)s2)c(C#N)s1 ZINC000539175609 340875475 /nfs/dbraw/zinc/87/54/75/340875475.db2.gz UUSFFIDGNLVXKS-UHFFFAOYSA-N -1 3 315.423 4.103 20 30 DIEDHM N#CC(=C([O-])c1csc2ccccc12)c1nc2ccccc2[nH]1 ZINC000073972349 341124250 /nfs/dbraw/zinc/12/42/50/341124250.db2.gz UCGFNDYIXOJYGV-LBPRGKRZSA-N -1 3 317.373 4.268 20 30 DIEDHM C=C(C)COc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000550177641 341311925 /nfs/dbraw/zinc/31/19/25/341311925.db2.gz FRHPNOVAUJWMAG-UHFFFAOYSA-N -1 3 317.772 4.253 20 30 DIEDHM CCc1ncc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)s1 ZINC000576482863 341848830 /nfs/dbraw/zinc/84/88/30/341848830.db2.gz PUTNTFYERASQEF-UHFFFAOYSA-N -1 3 319.455 4.188 20 30 DIEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])c1ccccc1 ZINC000100211045 1049252815 /nfs/dbraw/zinc/25/28/15/1049252815.db2.gz OISFOSGBMZIRQI-MTUBTWAWSA-N -1 3 304.187 4.335 20 30 DIEDHM CC(C)(C)c1cc([N-]C(=O)c2c(F)cccc2F)c(C#N)s1 ZINC000154264478 1035855520 /nfs/dbraw/zinc/85/55/20/1035855520.db2.gz XTFRXOLGOSCQGG-UHFFFAOYSA-N -1 3 320.364 4.448 20 30 DIEDHM Cc1ccc2c(c1C)OC[C@H]2/N=C\c1cc(Cl)ccc1[O-] ZINC000728226215 1036116804 /nfs/dbraw/zinc/11/68/04/1036116804.db2.gz KQHJSZORACTFBQ-XXZGICNZSA-N -1 3 301.773 4.215 20 30 DIEDHM C=CCOc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000728230684 1036161050 /nfs/dbraw/zinc/16/10/50/1036161050.db2.gz FHYYNLSEHUOBIF-VMPITWQZSA-N -1 3 324.376 4.170 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccc(Br)cc2)ccc1[O-] ZINC000728231992 1036169874 /nfs/dbraw/zinc/16/98/74/1036169874.db2.gz PQFMAKOIABRKAK-YWEYNIOJSA-N -1 3 317.182 4.359 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2cnc(-c3ccccc3)nc2)ccc1[O-] ZINC000728232492 1036204133 /nfs/dbraw/zinc/20/41/33/1036204133.db2.gz UPLQMOMWFAWLBM-VQHVLOKHSA-N -1 3 316.360 4.054 20 30 DIEDHM COc1cc(/C=C\C(=O)c2ccc(C)s2)cc(Cl)c1[O-] ZINC000211711098 1037266049 /nfs/dbraw/zinc/26/60/49/1037266049.db2.gz CWHTWALMSKJVIL-PLNGDYQASA-N -1 3 308.786 4.320 20 30 DIEDHM [O-]c1c(O)ccc(C=Nc2cccc(Nc3ccccc3)c2)c1O ZINC000255291951 1037541266 /nfs/dbraw/zinc/54/12/66/1037541266.db2.gz STIDBSULFUPMTQ-UHFFFAOYSA-N -1 3 320.348 4.298 20 30 DIEDHM COc1cc(C(=O)/C=C\c2cc3ccccc3o2)c(OC)cc1[O-] ZINC000255361119 1037908979 /nfs/dbraw/zinc/90/89/79/1037908979.db2.gz UEIISFJLPORDGP-FPLPWBNLSA-N -1 3 324.332 4.052 20 30 DIEDHM N#CC(=C([O-])c1cc2[nH]ccc2s1)c1ccc2ccccc2n1 ZINC000684629619 1038414410 /nfs/dbraw/zinc/41/44/10/1038414410.db2.gz ACCCTWGAIZAWGV-LBPRGKRZSA-N -1 3 317.373 4.268 20 30 DIEDHM COCc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255476908 1038560031 /nfs/dbraw/zinc/56/00/31/1038560031.db2.gz JXQSWQBKCMHMPL-UHFFFAOYSA-N -1 3 320.186 4.052 20 30 DIEDHM CC(=O)Nc1ccc(C)c(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255549518 1038942685 /nfs/dbraw/zinc/94/26/85/1038942685.db2.gz LPQLVNDSAFYFCV-UHFFFAOYSA-N -1 3 302.761 4.063 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2ccc(Cl)nc2Cl)ccc1[O-] ZINC000761477080 1039950561 /nfs/dbraw/zinc/95/05/61/1039950561.db2.gz LNMOYVDJOUOSKN-QHHAFSJGSA-N -1 3 308.164 4.299 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2nc3ccc(F)cc3s2)ccc1[O-] ZINC000761479076 1039997155 /nfs/dbraw/zinc/99/71/55/1039997155.db2.gz WLJMNWJKETWFSI-SREVYHEPSA-N -1 3 313.353 4.346 20 30 DIEDHM N#CC1(COC(=O)c2cc3cc(Cl)sc3[n-]2)CCCC1 ZINC000810659866 1041428355 /nfs/dbraw/zinc/42/83/55/1041428355.db2.gz FMIWLKFRSJQUFC-UHFFFAOYSA-N -1 3 308.790 4.124 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000811625988 1041543239 /nfs/dbraw/zinc/54/32/39/1041543239.db2.gz ZYHCYZRSGFVSET-RKZBXQSVSA-N -1 3 315.800 4.385 20 30 DIEDHM C[C@@]1(C/N=C/c2cc(Cl)ccc2[O-])OCCc2sccc21 ZINC000811625077 1041543411 /nfs/dbraw/zinc/54/34/11/1041543411.db2.gz BWNOSRAREBYXIZ-ZJTXRKTBSA-N -1 3 321.829 4.014 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1cc(Cl)ccc1Cl ZINC000814935089 1041892850 /nfs/dbraw/zinc/89/28/50/1041892850.db2.gz LODMBTVECACCIN-QMMMGPOBSA-N -1 3 308.155 4.382 20 30 DIEDHM C#C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccc(Cl)cc1 ZINC000816616498 1042073060 /nfs/dbraw/zinc/07/30/60/1042073060.db2.gz YIOPLEFNXFPTDP-HNNXBMFYSA-N -1 3 324.182 4.302 20 30 DIEDHM COc1cc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)ccc1[O-] ZINC000008322728 1042214505 /nfs/dbraw/zinc/21/45/05/1042214505.db2.gz VVXXPODCRXVROE-FNORWQNLSA-N -1 3 322.282 4.316 20 30 DIEDHM CC(C)c1ccc(C(=O)NCC2CCC(C#N)CC2)c([O-])c1 ZINC000331286827 1043114241 /nfs/dbraw/zinc/11/42/41/1043114241.db2.gz ULDWMWXLXPPLDV-UHFFFAOYSA-N -1 3 300.402 4.150 20 30 DIEDHM CCC(CC)c1cc(CN[C@H](C)c2cccc(C#N)c2[O-])on1 ZINC000866273480 1043169923 /nfs/dbraw/zinc/16/99/23/1043169923.db2.gz NKHVIUOICGLAQD-GFCCVEGCSA-N -1 3 313.401 4.006 20 30 DIEDHM C[C@@H](NC1(c2ccccc2Cl)CC1)c1cccc(C#N)c1[O-] ZINC000866381566 1043195173 /nfs/dbraw/zinc/19/51/73/1043195173.db2.gz RLLOEZCAHQGNLW-GFCCVEGCSA-N -1 3 312.800 4.257 20 30 DIEDHM O=C1c2cc(Cl)ccc2C/C1=C/c1c(F)ccc([O-])c1F ZINC000794944343 1043242184 /nfs/dbraw/zinc/24/21/84/1043242184.db2.gz AIYQSYHUGBSNMR-TWGQIWQCSA-N -1 3 306.695 4.146 20 30 DIEDHM COc1cc(/C=C/C(=O)c2cc(F)cc(F)c2)cc(Cl)c1[O-] ZINC000126518618 1043761396 /nfs/dbraw/zinc/76/13/96/1043761396.db2.gz XQVXJRFQIVEULP-NSCUHMNNSA-N -1 3 324.710 4.229 20 30 DIEDHM N#CC(=C([O-])c1ccc(C(F)F)cc1)c1cnc2ccccc2n1 ZINC000361541045 1044415990 /nfs/dbraw/zinc/41/59/90/1044415990.db2.gz LKUPCLBYQWDLRC-CYBMUJFWSA-N -1 3 323.302 4.057 20 30 DIEDHM N#CC(=C([O-])c1ccc(C(F)F)cc1)c1cnc2ccccc2n1 ZINC000361541046 1044416195 /nfs/dbraw/zinc/41/61/95/1044416195.db2.gz LKUPCLBYQWDLRC-ZDUSSCGKSA-N -1 3 323.302 4.057 20 30 DIEDHM C=CC1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000566357889 1044484628 /nfs/dbraw/zinc/48/46/28/1044484628.db2.gz ASWFAWAKYDGOQI-CQSZACIVSA-N -1 3 314.212 4.017 20 30 DIEDHM C=CC1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000566357884 1044485008 /nfs/dbraw/zinc/48/50/08/1044485008.db2.gz ASWFAWAKYDGOQI-AWEZNQCLSA-N -1 3 314.212 4.017 20 30 DIEDHM N#CC(=C([O-])c1cc2ccccc2s1)c1nc2ccccc2[nH]1 ZINC000041496218 1044494389 /nfs/dbraw/zinc/49/43/89/1044494389.db2.gz JYBKXMQHEIHNKS-GFCCVEGCSA-N -1 3 317.373 4.268 20 30 DIEDHM Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc(Cl)n1 ZINC000778599150 1044578850 /nfs/dbraw/zinc/57/88/50/1044578850.db2.gz OGXXZDDDUJSPIL-AWEZNQCLSA-N -1 3 321.767 4.082 20 30 DIEDHM C=CC[C@H]1N(C(=O)c2cc([O-])ccc2Cl)CCCC1(C)C ZINC001297187111 1044661216 /nfs/dbraw/zinc/66/12/16/1044661216.db2.gz WWAPSKLYHMHCKX-OAHLLOKOSA-N -1 3 307.821 4.253 20 30 DIEDHM CC(C)c1cc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)no1 ZINC000410931816 1044950675 /nfs/dbraw/zinc/95/06/75/1044950675.db2.gz VWRBUDUZKHNYQI-UHFFFAOYSA-N -1 3 317.414 4.281 20 30 DIEDHM Cc1cc(Cl)cc(NC(=O)c2cc(C#N)ccc2Cl)c1[O-] ZINC000578340360 1045234163 /nfs/dbraw/zinc/23/41/63/1045234163.db2.gz VDJJRYOMQUGKFK-UHFFFAOYSA-N -1 3 321.163 4.131 20 30 DIEDHM COCCCOc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000750817179 1045558547 /nfs/dbraw/zinc/55/85/47/1045558547.db2.gz DCCHPDDRTLQOQX-UHFFFAOYSA-N -1 3 319.788 4.212 20 30 DIEDHM O=C([C@@H]1CCC(F)(F)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900095798 1045604663 /nfs/dbraw/zinc/60/46/63/1045604663.db2.gz JZGRXJBFQFPJPJ-SECBINFHSA-N -1 3 324.154 4.147 20 30 DIEDHM CC(C)(C)c1ccc(NC(=O)/C=C\c2ccccc2C#N)c([O-])c1 ZINC000800374776 1045611518 /nfs/dbraw/zinc/61/15/18/1045611518.db2.gz VTXHHPSNMFBNOA-FLIBITNWSA-N -1 3 320.392 4.213 20 30 DIEDHM O=C(c1cc(F)cc(F)c1)N([O-])Cc1cccc2ccccc21 ZINC000901367914 1045710586 /nfs/dbraw/zinc/71/05/86/1045710586.db2.gz OMMKHJPTPHIRGL-UHFFFAOYSA-N -1 3 313.303 4.150 20 30 DIEDHM O=C(c1cccc2cc[nH]c21)N([O-])Cc1cccc2ccccc21 ZINC000901370474 1045711072 /nfs/dbraw/zinc/71/10/72/1045711072.db2.gz IOVJAWUKQNJWCN-UHFFFAOYSA-N -1 3 316.360 4.353 20 30 DIEDHM O=C(c1ccc(C(F)F)o1)N([O-])Cc1cccc2ccccc21 ZINC000901371307 1045711966 /nfs/dbraw/zinc/71/19/66/1045711966.db2.gz RKYCGYUQLKASJN-UHFFFAOYSA-N -1 3 317.291 4.402 20 30 DIEDHM C[C@@H](Cc1cccc(Cl)c1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371430 1045712198 /nfs/dbraw/zinc/71/21/98/1045712198.db2.gz BTQYDFVHBDLVSM-LBPRGKRZSA-N -1 3 321.779 4.076 20 30 DIEDHM C/C(=C/c1ccccc1Cl)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372446 1045712230 /nfs/dbraw/zinc/71/22/30/1045712230.db2.gz ZLMJWNZMBNHXCU-BENRWUELSA-N -1 3 319.763 4.300 20 30 DIEDHM CCOc1cccc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000901370708 1045712544 /nfs/dbraw/zinc/71/25/44/1045712544.db2.gz LXPVKIRKDKIPBL-UHFFFAOYSA-N -1 3 321.376 4.270 20 30 DIEDHM C[C@H](CC(=O)N([O-])Cc1cccc2ccccc21)c1ccco1 ZINC000901370845 1045712664 /nfs/dbraw/zinc/71/26/64/1045712664.db2.gz IIAWFMVMKPGFDU-CQSZACIVSA-N -1 3 309.365 4.344 20 30 DIEDHM O=C(CC(C1CCC1)C1CCC1)N([O-])Cc1ccc(F)cc1 ZINC000901372253 1045712779 /nfs/dbraw/zinc/71/27/79/1045712779.db2.gz BEFUZEHJFMGTGD-UHFFFAOYSA-N -1 3 305.393 4.150 20 30 DIEDHM CC1(C)CC[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901377877 1045714384 /nfs/dbraw/zinc/71/43/84/1045714384.db2.gz AWJNFFDZFWHTSY-LBPRGKRZSA-N -1 3 302.201 4.147 20 30 DIEDHM O=C(C1CC2(CCC2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379020 1045714507 /nfs/dbraw/zinc/71/45/07/1045714507.db2.gz UGPBKEXNCDDMNY-UHFFFAOYSA-N -1 3 314.212 4.292 20 30 DIEDHM C[C@@H]1CCc2c(C(=O)N([O-])Cc3ccc(F)cc3)csc2C1 ZINC000901378839 1045714614 /nfs/dbraw/zinc/71/46/14/1045714614.db2.gz LPFFJMPIMJIQHJ-LLVKDONJSA-N -1 3 319.401 4.044 20 30 DIEDHM C[C@@H]1CCc2sc(C(=O)N([O-])Cc3ccc(F)cc3)cc2C1 ZINC000901376597 1045714770 /nfs/dbraw/zinc/71/47/70/1045714770.db2.gz WVOYBJXRDNQNAA-LLVKDONJSA-N -1 3 319.401 4.044 20 30 DIEDHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378797 1045714809 /nfs/dbraw/zinc/71/48/09/1045714809.db2.gz KVZIRFRERICSOF-XAGKMFGPSA-N -1 3 314.212 4.003 20 30 DIEDHM CC[C@H](C)[C@H](C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378256 1045715129 /nfs/dbraw/zinc/71/51/29/1045715129.db2.gz JPXNXKBFBVYMGQ-UWVGGRQHSA-N -1 3 304.217 4.393 20 30 DIEDHM O=C(c1cc2ccccc2s1)N([O-])Cc1ccc(F)cc1 ZINC000901376756 1045715602 /nfs/dbraw/zinc/71/56/02/1045715602.db2.gz XYFKSKZYFYAXTJ-UHFFFAOYSA-N -1 3 301.342 4.072 20 30 DIEDHM C[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C(C)(C)C ZINC000901380070 1045718233 /nfs/dbraw/zinc/71/82/33/1045718233.db2.gz LZXZVYDMSKUXPU-SECBINFHSA-N -1 3 304.217 4.393 20 30 DIEDHM CC(C)(C#N)CCSc1nnc([N-]c2ccccc2F)s1 ZINC000078929625 1045789571 /nfs/dbraw/zinc/78/95/71/1045789571.db2.gz OZLFHOFBUJEYHH-UHFFFAOYSA-N -1 3 322.434 4.453 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2ccc(OC(F)F)c(F)c2)ccc1[O-] ZINC000754685941 1045911863 /nfs/dbraw/zinc/91/18/63/1045911863.db2.gz QVOKUQOBBZKSMQ-GORDUTHDSA-N -1 3 322.282 4.337 20 30 DIEDHM CC(C)c1nc(/C=C/C(=O)c2ccc([O-])cc2)c2ccccn21 ZINC000755625208 1046002748 /nfs/dbraw/zinc/00/27/48/1046002748.db2.gz HHVHUIOYOOMODB-ZHACJKMWSA-N -1 3 306.365 4.059 20 30 DIEDHM CCc1cccc(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)c1 ZINC001202877401 1046329051 /nfs/dbraw/zinc/32/90/51/1046329051.db2.gz OFBYOTMKQLOQMK-UHFFFAOYSA-N -1 3 312.373 4.050 20 30 DIEDHM CC(=[NH+][N-]c1cc(C)ccc1C)c1ccc(N2CCCC2)cc1[O-] ZINC000748244744 1046358376 /nfs/dbraw/zinc/35/83/76/1046358376.db2.gz RDZGUNBJBTVYPP-UHFFFAOYSA-N -1 3 323.440 4.445 20 30 DIEDHM Cc1ccc(-c2nc(C([O-])=C(C#N)c3ccccn3)cs2)cc1 ZINC000041493123 1046451099 /nfs/dbraw/zinc/45/10/99/1046451099.db2.gz UBBTXFPTBVVTHM-CQSZACIVSA-N -1 3 319.389 4.004 20 30 DIEDHM Cc1ccc(C)n1-c1ccsc1C([O-])=C(C#N)c1ccccn1 ZINC000054452460 1046474973 /nfs/dbraw/zinc/47/49/73/1046474973.db2.gz PHSPUGVQBLXBQJ-AWEZNQCLSA-N -1 3 321.405 4.041 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1scnc1C1CC1 ZINC000782322741 1046518363 /nfs/dbraw/zinc/51/83/63/1046518363.db2.gz IRVXYSCODCMOQH-VSBFRKNKSA-N -1 3 315.369 4.249 20 30 DIEDHM N#Cc1c2c(sc1Nc1ccc([O-])c(F)c1F)CCCC2 ZINC001211998063 1046776719 /nfs/dbraw/zinc/77/67/19/1046776719.db2.gz ZBFABNUNJDKSRX-UHFFFAOYSA-N -1 3 306.337 4.226 20 30 DIEDHM Cc1ccc(F)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000075438701 1046811231 /nfs/dbraw/zinc/81/12/31/1046811231.db2.gz GCXGDXHECGXRRG-CYBMUJFWSA-N -1 3 322.261 4.038 20 30 DIEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1CCC(F)(F)C1 ZINC000797397365 1046830425 /nfs/dbraw/zinc/83/04/25/1046830425.db2.gz BUPXSWKSKJFFHO-PCYPHTAMSA-N -1 3 318.161 4.009 20 30 DIEDHM Cc1nn(C(C)C)cc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000798369488 1046948296 /nfs/dbraw/zinc/94/82/96/1046948296.db2.gz ICJYDDBGVLFMAL-SRMXYGTFSA-N -1 3 314.360 4.001 20 30 DIEDHM Cc1nn(C(C)C)cc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000798369484 1046948899 /nfs/dbraw/zinc/94/88/99/1046948899.db2.gz ICJYDDBGVLFMAL-JLATVTFTSA-N -1 3 314.360 4.001 20 30 DIEDHM CCCCCCCCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141302186 1047083667 /nfs/dbraw/zinc/08/36/67/1047083667.db2.gz SLAVAAHIRNDIHM-UHFFFAOYSA-N -1 3 303.406 4.348 20 30 DIEDHM N#C[C@H]1CCC[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000839065242 1047191841 /nfs/dbraw/zinc/19/18/41/1047191841.db2.gz ZMNYYOVNCZORJF-WCBMZHEXSA-N -1 3 308.790 4.122 20 30 DIEDHM N#C[C@H]1CCC[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000839065244 1047191929 /nfs/dbraw/zinc/19/19/29/1047191929.db2.gz ZMNYYOVNCZORJF-WPRPVWTQSA-N -1 3 308.790 4.122 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/C1CCC(OC(F)F)CC1 ZINC000840710556 1047316721 /nfs/dbraw/zinc/31/67/21/1047316721.db2.gz QWNNOVYFHNMDOZ-QGMBQPNBSA-N -1 3 303.736 4.015 20 30 DIEDHM COc1ccccc1C1(C/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000749451755 1047419647 /nfs/dbraw/zinc/41/96/47/1047419647.db2.gz JPHXFDXZERNHFO-JAIQZWGSSA-N -1 3 315.800 4.205 20 30 DIEDHM C=CCN(C(=O)c1c([O-])cnc2ccc(C)cc21)C1CCCCC1 ZINC001154530406 1047650732 /nfs/dbraw/zinc/65/07/32/1047650732.db2.gz HWYGPYKAQNRQFC-UHFFFAOYSA-N -1 3 324.424 4.210 20 30 DIEDHM N#Cc1cccc(NC(=S)Nc2c([O-])ccc3ccccc32)c1 ZINC001197714945 1047873737 /nfs/dbraw/zinc/87/37/37/1047873737.db2.gz PQZYBLKHCJULMC-UHFFFAOYSA-N -1 3 319.389 4.226 20 30 DIEDHM CCCCCCN([O-])C(=O)CCc1c[nH]c2cc(C)ccc12 ZINC001184305892 1048021206 /nfs/dbraw/zinc/02/12/06/1048021206.db2.gz WCBJOCCZWAKAFY-UHFFFAOYSA-N -1 3 302.418 4.207 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC001184305294 1048022121 /nfs/dbraw/zinc/02/21/21/1048022121.db2.gz DYDHOGVQMLSOLJ-CYBMUJFWSA-N -1 3 313.825 4.214 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC001184305277 1048022566 /nfs/dbraw/zinc/02/25/66/1048022566.db2.gz CSGNIVOJZULQNE-ZDUSSCGKSA-N -1 3 313.825 4.214 20 30 DIEDHM CCCCN([O-])C(=O)c1sc(-c2ccccc2)cc1OCC ZINC001184315409 1048023456 /nfs/dbraw/zinc/02/34/56/1048023456.db2.gz YEJORBXCEAHFAX-UHFFFAOYSA-N -1 3 319.426 4.445 20 30 DIEDHM Cc1cccc([C@@H](C)C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001184283298 1048025877 /nfs/dbraw/zinc/02/58/77/1048025877.db2.gz FWFRJNCPSYDCFI-CYBMUJFWSA-N -1 3 303.789 4.170 20 30 DIEDHM CC(C)(CC(=O)N([O-])CCCCc1ccccc1)C(F)(F)F ZINC001184293333 1048027620 /nfs/dbraw/zinc/02/76/20/1048027620.db2.gz OLGWKCXWUOJQRM-UHFFFAOYSA-N -1 3 317.351 4.206 20 30 DIEDHM CCC[C@H]1CCC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293198 1048028070 /nfs/dbraw/zinc/02/80/70/1048028070.db2.gz JGIXHQKCOAAOPC-ROUUACIJSA-N -1 3 303.446 4.444 20 30 DIEDHM O=C([C@@H](c1ccccc1)C1CC1)N([O-])CCCCc1ccccc1 ZINC001184293359 1048028548 /nfs/dbraw/zinc/02/85/48/1048028548.db2.gz PUNDAJTYCBCUOU-FQEVSTJZSA-N -1 3 323.436 4.421 20 30 DIEDHM Cc1cc(C(=O)N([O-])Cc2ccccc2Cl)ccc1Cl ZINC001161807696 1048173132 /nfs/dbraw/zinc/17/31/32/1048173132.db2.gz NCJMHYIXDGSNOY-UHFFFAOYSA-N -1 3 310.180 4.333 20 30 DIEDHM O=C(c1sccc1C(F)F)N([O-])Cc1ccccc1Cl ZINC001161808076 1048175299 /nfs/dbraw/zinc/17/52/99/1048175299.db2.gz VPQIBNSQAJJVHN-UHFFFAOYSA-N -1 3 317.744 4.371 20 30 DIEDHM CCCCCCN([O-])C(=O)CSc1ccccc1Cl ZINC001161819041 1048176785 /nfs/dbraw/zinc/17/67/85/1048176785.db2.gz LUUJXIUSLPEVMU-UHFFFAOYSA-N -1 3 301.839 4.230 20 30 DIEDHM CCCCCCN([O-])C(=O)COc1ccc2ccccc2c1 ZINC001161819092 1048177444 /nfs/dbraw/zinc/17/74/44/1048177444.db2.gz MVCRAALSYNPKKQ-UHFFFAOYSA-N -1 3 301.386 4.017 20 30 DIEDHM C[C@H]1CC(C(=O)N([O-])CCCCc2ccccc2)C[C@H](C)C1 ZINC001161819369 1048177716 /nfs/dbraw/zinc/17/77/16/1048177716.db2.gz QVSWITJIMLCSKW-HZPDHXFCSA-N -1 3 303.446 4.299 20 30 DIEDHM CCCCN([O-])C(=O)CSCc1ccc(Cl)cc1Cl ZINC001161827171 1048180715 /nfs/dbraw/zinc/18/07/15/1048180715.db2.gz WRPJLTDONIPQCO-UHFFFAOYSA-N -1 3 322.257 4.245 20 30 DIEDHM Cc1cc(C#N)ccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001161842542 1048183295 /nfs/dbraw/zinc/18/32/95/1048183295.db2.gz IOJUINKUACDQMX-UHFFFAOYSA-N -1 3 316.360 4.052 20 30 DIEDHM N#Cc1cc(Nc2c(F)ccc([O-])c2F)cc(C(F)(F)F)c1 ZINC001175268203 1048247279 /nfs/dbraw/zinc/24/72/79/1048247279.db2.gz MXKJWMGFRJLMQC-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM N#Cc1cc(Cc2ccccc2)sc1Nc1cncc([O-])c1 ZINC001201628514 1048339984 /nfs/dbraw/zinc/33/99/84/1048339984.db2.gz MQXRIWDFDZBGRV-UHFFFAOYSA-N -1 3 307.378 4.055 20 30 DIEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1cccc2ccccc21 ZINC001188942959 1048570340 /nfs/dbraw/zinc/57/03/40/1048570340.db2.gz JZBNMCDJSYXMSW-UHFFFAOYSA-N -1 3 303.321 4.061 20 30 DIEDHM [O-]/N=C/c1cccc(N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC001164079093 1048579152 /nfs/dbraw/zinc/57/91/52/1048579152.db2.gz RZJFABKZLWVGLQ-ORTNRGLGSA-N -1 3 303.365 4.091 20 30 DIEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccccc2-c2ccccc2)o1 ZINC001189695929 1048651856 /nfs/dbraw/zinc/65/18/56/1048651856.db2.gz BRJIQGOEFWUXKX-UHFFFAOYSA-N -1 3 318.336 4.166 20 30 DIEDHM CCc1cccc(CC)c1NC(=O)Nc1ccc([O-])cc1C#N ZINC001189773307 1048664930 /nfs/dbraw/zinc/66/49/30/1048664930.db2.gz YOFWCNSVNHFHEY-UHFFFAOYSA-N -1 3 309.369 4.033 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCCOc2ccccc21 ZINC000749748599 1048673347 /nfs/dbraw/zinc/67/33/47/1048673347.db2.gz HXQRBPNFKZGWRU-BKQORJHRSA-N -1 3 301.773 4.378 20 30 DIEDHM CC(C)Oc1ccc(Cl)cc1Nc1cc(C#N)ccc1[O-] ZINC001176645240 1048748423 /nfs/dbraw/zinc/74/84/23/1048748423.db2.gz QXDSUMAQKKEYJZ-UHFFFAOYSA-N -1 3 302.761 4.448 20 30 DIEDHM N#CC(=C([O-])c1csc(Cl)c1)c1nccc2ccccc21 ZINC000483242036 1048761614 /nfs/dbraw/zinc/76/16/14/1048761614.db2.gz XACXZZAYMWHJDS-ZDUSSCGKSA-N -1 3 312.781 4.440 20 30 DIEDHM N#CC(=C([O-])c1csc(Cl)c1)c1nccc2ccccc21 ZINC000483242035 1048762013 /nfs/dbraw/zinc/76/20/13/1048762013.db2.gz XACXZZAYMWHJDS-CYBMUJFWSA-N -1 3 312.781 4.440 20 30 DIEDHM CC(C)(C#N)c1cccc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001190938434 1048800629 /nfs/dbraw/zinc/80/06/29/1048800629.db2.gz NZSYUXJHZSJWES-UHFFFAOYSA-N -1 3 314.772 4.099 20 30 DIEDHM CC[C@@H](CC(F)F)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904173482 1048999053 /nfs/dbraw/zinc/99/90/53/1048999053.db2.gz RIXSIWQXFKBKGK-LBPRGKRZSA-N -1 3 307.340 4.239 20 30 DIEDHM O=C([C@@H]1CC[C@H](C(F)(F)F)C1)N([O-])Cc1ccccc1Cl ZINC000904193039 1048999228 /nfs/dbraw/zinc/99/92/28/1048999228.db2.gz JQBBUGCLYLNIKA-KOLCDFICSA-N -1 3 321.726 4.036 20 30 DIEDHM CC(=NNc1nc2ccccc2cc1C)c1ccc([O-])c(F)c1 ZINC000776784984 1049006897 /nfs/dbraw/zinc/00/68/97/1049006897.db2.gz PQPTXOBMVUCVCO-UHFFFAOYSA-N -1 3 309.344 4.224 20 30 DIEDHM CC(=NNc1nc2ccccc2cc1C)c1ccc([O-])cc1F ZINC000776783370 1049011768 /nfs/dbraw/zinc/01/17/68/1049011768.db2.gz UOOMYBSRENAEIH-UHFFFAOYSA-N -1 3 309.344 4.224 20 30 DIEDHM [O-]N=Cc1ccccc1-c1cccc2c1cnn2[C@H]1CCCCO1 ZINC001204903860 1049305858 /nfs/dbraw/zinc/30/58/58/1049305858.db2.gz BEQLYKFUKMIPRV-LJQANCHMSA-N -1 3 321.380 4.211 20 30 DIEDHM COCOc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cc1Cl ZINC001205048192 1049353685 /nfs/dbraw/zinc/35/36/85/1049353685.db2.gz JEBWUURMHDRIOS-MNDPQUGUSA-N -1 3 317.772 4.114 20 30 DIEDHM [O-]c1ccc(F)c(C=NNc2cccc(C(F)(F)F)c2)c1F ZINC000794453114 1049521274 /nfs/dbraw/zinc/52/12/74/1049521274.db2.gz KIFDHWFNWADLIM-UHFFFAOYSA-N -1 3 316.229 4.135 20 30 DIEDHM C[C@@H](O[N-]C(=O)CCC1CCCCC1)c1cccc(C#N)c1 ZINC000794721665 1049685604 /nfs/dbraw/zinc/68/56/04/1049685604.db2.gz VFTURUHBUJLZAX-CQSZACIVSA-N -1 3 300.402 4.028 20 30 DIEDHM N#Cc1cc(Nc2cc([O-])cc(F)c2)ccc1N1CCCCC1 ZINC001206851613 1049812742 /nfs/dbraw/zinc/81/27/42/1049812742.db2.gz RBOSNRYBDWFBBS-UHFFFAOYSA-N -1 3 311.360 4.137 20 30 DIEDHM N#Cc1cc(F)cc(F)c1Nc1ccc([O-])c(C(F)(F)F)c1 ZINC001209987259 1050117702 /nfs/dbraw/zinc/11/77/02/1050117702.db2.gz MOCORVQDGPGAJM-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM N#Cc1c(F)cc(F)cc1Nc1ccc([O-])c(C(F)(F)F)c1 ZINC001209988089 1050118278 /nfs/dbraw/zinc/11/82/78/1050118278.db2.gz XIURIXQWLLOBAZ-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM N#Cc1ccc(Nc2ccc(F)cc2[O-])c(OC(F)(F)F)c1 ZINC001210018268 1050122576 /nfs/dbraw/zinc/12/25/76/1050122576.db2.gz GQNQBRJWVMOQES-UHFFFAOYSA-N -1 3 312.222 4.045 20 30 DIEDHM N#Cc1ncccc1Nc1c([O-])cc(C(F)(F)F)cc1Cl ZINC001210148562 1050144281 /nfs/dbraw/zinc/14/42/81/1050144281.db2.gz MGGPFEUNZITGEO-UHFFFAOYSA-N -1 3 313.666 4.075 20 30 DIEDHM C=CCOC(=O)c1ccc(Nc2cccc(Cl)c2[O-])c(F)c1 ZINC001210222247 1050163809 /nfs/dbraw/zinc/16/38/09/1050163809.db2.gz XADCDOXJNGFNQU-UHFFFAOYSA-N -1 3 321.735 4.271 20 30 DIEDHM C=CC[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccncc1 ZINC001136819993 1050180109 /nfs/dbraw/zinc/18/01/09/1050180109.db2.gz JLOOTUNIJOHJHB-HNNXBMFYSA-N -1 3 324.405 4.049 20 30 DIEDHM N#Cc1cc(Cl)c(Nc2ccc([O-])c(C#N)c2)c(Cl)c1 ZINC001210529202 1050281726 /nfs/dbraw/zinc/28/17/26/1050281726.db2.gz AUEAMPITHGXSCY-UHFFFAOYSA-N -1 3 304.136 4.186 20 30 DIEDHM N#Cc1cc(Nc2c(F)cccc2N2CCCCC2)ccc1[O-] ZINC001210535168 1050285672 /nfs/dbraw/zinc/28/56/72/1050285672.db2.gz ZPBZLXOWVARGIP-UHFFFAOYSA-N -1 3 311.360 4.137 20 30 DIEDHM COc1ccc(C#N)c(Nc2cc([O-])cc(C(F)(F)F)c2)c1 ZINC001210828045 1050383871 /nfs/dbraw/zinc/38/38/71/1050383871.db2.gz MKTYVGRPYNWJNZ-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM Cc1nc2c(cc(Nc3cc(C#N)ccc3[O-])cc2F)n1C(C)C ZINC001210924191 1050416099 /nfs/dbraw/zinc/41/60/99/1050416099.db2.gz NBVWESGGKVXGGT-UHFFFAOYSA-N -1 3 324.359 4.386 20 30 DIEDHM CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc([O-])c(F)c1 ZINC000746578215 1050470688 /nfs/dbraw/zinc/47/06/88/1050470688.db2.gz LLQZBSFIROYQFR-UHFFFAOYSA-N -1 3 312.266 4.386 20 30 DIEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ncc(-c2ccc(C)cc2C)s1 ZINC000844664358 1050480784 /nfs/dbraw/zinc/48/07/84/1050480784.db2.gz SDVWSSNDCLCBMR-GFCCVEGCSA-N -1 3 317.414 4.055 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)ccc1[O-] ZINC000741841120 1050751247 /nfs/dbraw/zinc/75/12/47/1050751247.db2.gz KJUMUSWCNIMMMK-XBXARRHUSA-N -1 3 318.319 4.241 20 30 DIEDHM COc1cccc(F)c1[C@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000741844819 1050753561 /nfs/dbraw/zinc/75/35/61/1050753561.db2.gz QHSFTZWROMTFTH-XPAGJJBOSA-N -1 3 307.752 4.373 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cnc(-c3ccco3)s2)ccc1[O-] ZINC000789144241 1050795738 /nfs/dbraw/zinc/79/57/38/1050795738.db2.gz UKELHAOTQIBYJQ-ALCCZGGFSA-N -1 3 311.362 4.313 20 30 DIEDHM N#Cc1ccc([N-]c2snnc2-c2ccccc2)c(Cl)c1 ZINC001213991431 1050796172 /nfs/dbraw/zinc/79/61/72/1050796172.db2.gz GGFDVABAAFMSIT-UHFFFAOYSA-N -1 3 312.785 4.474 20 30 DIEDHM N#Cc1ccc(-c2noc(-c3ccccc3[O-])n2)c2ccccc12 ZINC001215142267 1051085777 /nfs/dbraw/zinc/08/57/77/1051085777.db2.gz UKESCAZLTDPUSU-UHFFFAOYSA-N -1 3 313.316 4.134 20 30 DIEDHM [O-]/N=C/c1cccc(NCc2nc(-c3ccccc3)cs2)c1 ZINC001170247526 1051171285 /nfs/dbraw/zinc/17/12/85/1051171285.db2.gz PVUQMCGTXJERKC-VXLYETTFSA-N -1 3 309.394 4.230 20 30 DIEDHM CC(C)Oc1c(F)cc(F)c(Nc2cc(C#N)ccc2[O-])c1F ZINC001212645287 1051316087 /nfs/dbraw/zinc/31/60/87/1051316087.db2.gz PBSYLECNJDYCJJ-UHFFFAOYSA-N -1 3 322.286 4.212 20 30 DIEDHM CC(C)Oc1c(F)ccc(Nc2ccc([O-])c(C#N)c2)c1F ZINC001215731014 1051332100 /nfs/dbraw/zinc/33/21/00/1051332100.db2.gz HWQNVVBQAIMEDY-UHFFFAOYSA-N -1 3 304.296 4.073 20 30 DIEDHM CCCCCCCC[C@H](CC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001172502939 1051422647 /nfs/dbraw/zinc/42/26/47/1051422647.db2.gz NUPFWZBQCOPNFA-HNNXBMFYSA-N -1 3 307.415 4.063 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2cnc(F)c(-c3ccccc3)c2)c1 ZINC001215961399 1051487350 /nfs/dbraw/zinc/48/73/50/1051487350.db2.gz JCZCKMPEFHYXDD-UHFFFAOYSA-N -1 3 305.312 4.209 20 30 DIEDHM Cc1ncc(CO)c(C=Nc2cccc(-c3ccccc3)c2)c1[O-] ZINC000804598909 1051493118 /nfs/dbraw/zinc/49/31/18/1051493118.db2.gz ROBCHCLCHJIEPJ-UHFFFAOYSA-N -1 3 318.376 4.006 20 30 DIEDHM Cc1nn(C(C)(C)C)cc1[C@@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000767339147 1051787546 /nfs/dbraw/zinc/78/75/46/1051787546.db2.gz UPNGNVAFFOFRAS-CZPFXKHOSA-N -1 3 319.836 4.486 20 30 DIEDHM N#Cc1cccc(-c2noc(-c3ccc([O-])c4ccccc34)n2)c1 ZINC001217435338 1052054127 /nfs/dbraw/zinc/05/41/27/1052054127.db2.gz DPYCTKXTMDUZGJ-UHFFFAOYSA-N -1 3 313.316 4.134 20 30 DIEDHM N#Cc1cc(Nc2ccc([O-])c(Br)c2)ccc1Cl ZINC001174403074 1052125795 /nfs/dbraw/zinc/12/57/95/1052125795.db2.gz BEKSYTNPMFZAOG-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM Cc1sccc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649025862 1052535693 /nfs/dbraw/zinc/53/56/93/1052535693.db2.gz DZKPVJKSSRMMAI-UHFFFAOYSA-N -1 3 316.209 4.395 20 30 DIEDHM C=C[C@](C)(CC)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649026134 1052535755 /nfs/dbraw/zinc/53/57/55/1052535755.db2.gz PEFJGOSJQFDHGZ-CQSZACIVSA-N -1 3 302.201 4.314 20 30 DIEDHM COc1ccc([C@H](C)/N=C\c2cc(Cl)ccc2[O-])cc1OC ZINC000915982842 1052574592 /nfs/dbraw/zinc/57/45/92/1052574592.db2.gz FFUNBICKCDHIJN-ORPVNXHJSA-N -1 3 319.788 4.243 20 30 DIEDHM CC[C@H](O/C(=N\[O-])c1ccccc1Br)C(C)(C)C ZINC001223884493 1052647112 /nfs/dbraw/zinc/64/71/12/1052647112.db2.gz LHNVEOSBCLKENE-OFEBGVABSA-N -1 3 314.223 4.426 20 30 DIEDHM C=CCC[C@H](CC)O/C(=N\[O-])c1ccccc1Br ZINC001223886021 1052648271 /nfs/dbraw/zinc/64/82/71/1052648271.db2.gz XBQVCYQBUDKEGR-NLPIWRNCSA-N -1 3 312.207 4.346 20 30 DIEDHM Cc1cccc(NCc2cc(Cl)c3cccnc3c2[O-])c1C#N ZINC001168522729 1052696453 /nfs/dbraw/zinc/69/64/53/1052696453.db2.gz IQAIRLFKOJMWHM-UHFFFAOYSA-N -1 3 323.783 4.386 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\CCCOCCc1ccccc1 ZINC000917557282 1052738907 /nfs/dbraw/zinc/73/89/07/1052738907.db2.gz DITCIMSQBTYVGM-ZHZULCJRSA-N -1 3 317.816 4.114 20 30 DIEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccccc2C(F)(F)F)[n-]1 ZINC001225467819 1052792453 /nfs/dbraw/zinc/79/24/53/1052792453.db2.gz XMQGUUCJCZWVGF-JTQLQIEISA-N -1 3 322.286 4.126 20 30 DIEDHM C=CC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001225663627 1052814129 /nfs/dbraw/zinc/81/41/29/1052814129.db2.gz DSOYLBMPZLZLKM-ZDUSSCGKSA-N -1 3 320.732 4.045 20 30 DIEDHM CCCCOc1ccc(N=Cc2ccc(O)c([O-])c2O)c(C)c1 ZINC000918712195 1052825316 /nfs/dbraw/zinc/82/53/16/1052825316.db2.gz GJCSQYMGJBXHPX-UHFFFAOYSA-N -1 3 315.369 4.041 20 30 DIEDHM C[C@@H](Oc1cccc(/C=N/[O-])c1)c1ccc(Br)cc1 ZINC001226114169 1052869514 /nfs/dbraw/zinc/86/95/14/1052869514.db2.gz HDSNETWZOPHBDY-JDAJCMJVSA-N -1 3 320.186 4.397 20 30 DIEDHM Cc1ccc(C#N)cc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001226876310 1052940632 /nfs/dbraw/zinc/94/06/32/1052940632.db2.gz BWRWVCGQRKGJIY-SFHVURJKSA-N -1 3 307.305 4.056 20 30 DIEDHM [O-]c1c(O)ccc(C=Nc2ccc3c(c2)Cc2ccccc2-3)c1O ZINC000920944934 1052956096 /nfs/dbraw/zinc/95/60/96/1052956096.db2.gz WGDJGLLIXWEIDQ-UHFFFAOYSA-N -1 3 317.344 4.125 20 30 DIEDHM COc1cc(C(=O)/C=C/c2ccc(Cl)c(F)c2)ccc1[O-] ZINC000921262692 1052966851 /nfs/dbraw/zinc/96/68/51/1052966851.db2.gz WSNJQABIXCFKQG-ZZXKWVIFSA-N -1 3 306.720 4.089 20 30 DIEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1OC(F)(F)F ZINC001227350629 1052983731 /nfs/dbraw/zinc/98/37/31/1052983731.db2.gz OPKNMSDSNPLULC-SNVBAGLBSA-N -1 3 323.270 4.302 20 30 DIEDHM N#Cc1ccc([O-])c(O[C@@H]2CCc3cc(C(F)(F)F)ccc32)c1 ZINC001227352130 1052984284 /nfs/dbraw/zinc/98/42/84/1052984284.db2.gz CGASXVPPAHQMGP-OAHLLOKOSA-N -1 3 319.282 4.349 20 30 DIEDHM C=CCC[C@H](CC)Oc1c([O-])cc(Br)cc1F ZINC001227590279 1053003162 /nfs/dbraw/zinc/00/31/62/1053003162.db2.gz FAKJHVZNXOBSDG-JTQLQIEISA-N -1 3 303.171 4.417 20 30 DIEDHM Cc1cc(C#N)cc(OC(=C([O-])c2ccco2)c2ccco2)c1 ZINC001227839302 1053020169 /nfs/dbraw/zinc/02/01/69/1053020169.db2.gz XTSYOYOPLIUPTK-GOSISDBHSA-N -1 3 307.305 4.056 20 30 DIEDHM C=C[C@H](CCC)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227941504 1053031132 /nfs/dbraw/zinc/03/11/32/1053031132.db2.gz UVQLFOSGCPPXPK-CQSZACIVSA-N -1 3 312.365 4.062 20 30 DIEDHM C=C[C@@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)c1ccccc1 ZINC001228678194 1053157470 /nfs/dbraw/zinc/15/74/70/1053157470.db2.gz VDKRTVQBAJCRSW-MRXNPFEDSA-N -1 3 309.325 4.086 20 30 DIEDHM C=CC[C@H](CCCC)Oc1cc(O)cc([O-])c1Br ZINC001229097096 1053246582 /nfs/dbraw/zinc/24/65/82/1053246582.db2.gz PEEITWQKJMQNOU-LLVKDONJSA-N -1 3 315.207 4.374 20 30 DIEDHM N#CC[C@@H](Oc1cccc([O-])c1Br)c1ccccc1 ZINC001229140465 1053256619 /nfs/dbraw/zinc/25/66/19/1053256619.db2.gz CBDMTEJPVTWHOG-CYBMUJFWSA-N -1 3 318.170 4.188 20 30 DIEDHM C#C[C@H]1CCC[C@@H]1Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229536316 1053348368 /nfs/dbraw/zinc/34/83/68/1053348368.db2.gz BUSMYXCJUNZANC-KXBFYZLASA-N -1 3 320.388 4.112 20 30 DIEDHM C=C[C@H](CC)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229809493 1053408503 /nfs/dbraw/zinc/40/85/03/1053408503.db2.gz BRCIYYMHTJTAFW-CQSZACIVSA-N -1 3 314.381 4.408 20 30 DIEDHM Cc1ccc([O-])c2c1[C@@H](C)/C(=C\c1csc([N+](=O)[O-])c1)C2=O ZINC001321764092 1053431964 /nfs/dbraw/zinc/43/19/64/1053431964.db2.gz DTFZGIOMKVYKRT-WUFUFFIZSA-N -1 3 315.350 4.054 20 30 DIEDHM C[C@@H](Oc1ccccc1/C=N/c1ccccc1[O-])[C@H](C)S ZINC001229936862 1053434945 /nfs/dbraw/zinc/43/49/45/1053434945.db2.gz HABHBMBOMUVUBY-LDQMOMIISA-N -1 3 301.411 4.228 20 30 DIEDHM [O-]c1ccccc1/N=C/c1ccccc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001229932324 1053435245 /nfs/dbraw/zinc/43/52/45/1053435245.db2.gz CJMPWHUUKYDAOV-FJUDNEELSA-N -1 3 305.377 4.486 20 30 DIEDHM O=C(N([O-])CCCCc1ccccc1)C1(C2CCC2)CCC1 ZINC001472619324 1053837798 /nfs/dbraw/zinc/83/77/98/1053837798.db2.gz HNCJYWDFUBEFIS-UHFFFAOYSA-N -1 3 301.430 4.198 20 30 DIEDHM CCCCCCN([O-])C(=O)CCc1ccc(OC(F)F)cc1 ZINC001472620963 1053844721 /nfs/dbraw/zinc/84/47/21/1053844721.db2.gz AFTZEAJKASBAEZ-UHFFFAOYSA-N -1 3 315.360 4.019 20 30 DIEDHM C[C@H](c1ccccc1Cl)N(C)Cc1cc(C#N)ccc1[O-] ZINC001232677751 1054098312 /nfs/dbraw/zinc/09/83/12/1054098312.db2.gz JHLIUJCHTOXDNM-GFCCVEGCSA-N -1 3 300.789 4.110 20 30 DIEDHM CO[C@@H]1CCCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC001336981189 1054252970 /nfs/dbraw/zinc/25/29/70/1054252970.db2.gz JSBKYKUEEAZSDR-GFCCVEGCSA-N -1 3 316.430 4.039 20 30 DIEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2ccc(/C=N/[O-])cc2OC)C1 ZINC001233800453 1054361395 /nfs/dbraw/zinc/36/13/95/1054361395.db2.gz QPXOGSHESIMWBQ-JTINLCKDSA-N -1 3 301.386 4.183 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001233802596 1054363671 /nfs/dbraw/zinc/36/36/71/1054363671.db2.gz HVQLKSBVVHDCSR-RNCJRGKNSA-N -1 3 303.402 4.241 20 30 DIEDHM C[C@@H](Oc1cccc([O-])c1F)C(F)(F)C(F)(F)C(F)(F)F ZINC001233867758 1054376899 /nfs/dbraw/zinc/37/68/99/1054376899.db2.gz JBASHCNWGPRWOQ-RXMQYKEDSA-N -1 3 324.167 4.132 20 30 DIEDHM N#CC(=C([O-])C1=C(c2ccccc2)CCCC1)c1cccc(F)n1 ZINC001342697536 1054428343 /nfs/dbraw/zinc/42/83/43/1054428343.db2.gz FRVCVABKWJVNRI-KRWDZBQOSA-N -1 3 320.367 4.425 20 30 DIEDHM N#Cc1cc([O-])cc(OC(c2ccccc2)c2ccccc2)c1 ZINC001234139110 1054439044 /nfs/dbraw/zinc/43/90/44/1054439044.db2.gz FWJZYNYIRRHBLD-UHFFFAOYSA-N -1 3 301.345 4.432 20 30 DIEDHM C=C[C@@]1(C)CC[C@H](Oc2c(Cl)ccc([O-])c2F)C(C)(C)O1 ZINC001234262904 1054477435 /nfs/dbraw/zinc/47/74/35/1054477435.db2.gz KYFTZALOGBXROG-LRDDRELGSA-N -1 3 314.784 4.466 20 30 DIEDHM CCn1ccnc1C(C#N)=C([O-])C1=C(c2ccccc2)CCCC1 ZINC001344874717 1054481859 /nfs/dbraw/zinc/48/18/59/1054481859.db2.gz FWTFBKMFIIDTEC-SFHVURJKSA-N -1 3 319.408 4.107 20 30 DIEDHM CC[C@H](C#Cc1ccccc1)Oc1c([O-])cc(Cl)cc1F ZINC001234445223 1054524086 /nfs/dbraw/zinc/52/40/86/1054524086.db2.gz XEPAMEONKYLYBC-CQSZACIVSA-N -1 3 304.748 4.394 20 30 DIEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2c([O-])cc(Cl)cc2F)O1 ZINC001234448053 1054524162 /nfs/dbraw/zinc/52/41/62/1054524162.db2.gz NNLYZBHTPJOCGG-XJKSGUPXSA-N -1 3 314.784 4.466 20 30 DIEDHM C=C[C@H](C)O[N-]C(=O)/C(C)=C/c1c(Cl)cccc1Cl ZINC001452731663 1054713147 /nfs/dbraw/zinc/71/31/47/1054713147.db2.gz ALVPBVHPFQRVAC-DDXVTDLHSA-N -1 3 300.185 4.019 20 30 DIEDHM C[C@H](C/N=C/c1cc(Cl)ccc1[O-])Oc1cccc(F)c1 ZINC000741841935 1055300704 /nfs/dbraw/zinc/30/07/04/1055300704.db2.gz CUFWXSYQPMOMLC-VURRPDKYSA-N -1 3 307.752 4.071 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@H](CC(F)(F)F)c1ccc(C)cc1 ZINC001537885464 1055466586 /nfs/dbraw/zinc/46/65/86/1055466586.db2.gz VABNJSZXZQMQEW-GFCCVEGCSA-N -1 3 321.289 4.316 20 30 DIEDHM CC(C)c1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c([O-])c1 ZINC001565786443 1055728317 /nfs/dbraw/zinc/72/83/17/1055728317.db2.gz FRDKOJFRCFJNJJ-IBGZPJMESA-N -1 3 314.429 4.108 20 30 DIEDHM CCCc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001649046277 1055748095 /nfs/dbraw/zinc/74/80/95/1055748095.db2.gz QJSKCQXTABSJOA-UHFFFAOYSA-N -1 3 303.789 4.324 20 30 DIEDHM Cc1ccc(C[C@H](C)C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001649046139 1055751568 /nfs/dbraw/zinc/75/15/68/1055751568.db2.gz MCCNILHMPOKASI-AWEZNQCLSA-N -1 3 317.816 4.245 20 30 DIEDHM Cc1cc(OCc2ccccc2)ncc1-c1cccc(/C=N/[O-])c1 ZINC001238877770 1055777314 /nfs/dbraw/zinc/77/73/14/1055777314.db2.gz WUWMIJFLSYFWMU-WSDLNYQXSA-N -1 3 318.376 4.444 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cnc(CCC(F)(F)F)s1 ZINC001649057179 1055790350 /nfs/dbraw/zinc/79/03/50/1055790350.db2.gz ROEHGLXEZMLYRQ-UHFFFAOYSA-N -1 3 324.368 4.050 20 30 DIEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001611658076 1056179285 /nfs/dbraw/zinc/17/92/85/1056179285.db2.gz TYDDDASKTQPGGT-NWDGAFQWSA-N -1 3 302.201 4.115 20 30 DIEDHM CC(C)c1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001611662713 1056180168 /nfs/dbraw/zinc/18/01/68/1056180168.db2.gz SMRUWNCNYIJKQB-UHFFFAOYSA-N -1 3 320.392 4.390 20 30 DIEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)c(Cl)c1C ZINC001611666790 1056180318 /nfs/dbraw/zinc/18/03/18/1056180318.db2.gz BCZCMHGOHGLIRF-UHFFFAOYSA-N -1 3 307.752 4.128 20 30 DIEDHM Cc1cc([O-])ccc1-c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001240642877 1056620659 /nfs/dbraw/zinc/62/06/59/1056620659.db2.gz HWOBBTARISJNGJ-UHFFFAOYSA-N -1 3 317.392 4.165 20 30 DIEDHM COc1ccc(CC#N)cc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242158398 1057284647 /nfs/dbraw/zinc/28/46/47/1057284647.db2.gz WKIUGHYJNOSAEI-UHFFFAOYSA-N -1 3 307.271 4.153 20 30 DIEDHM N#CCCOc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001242166365 1057285769 /nfs/dbraw/zinc/28/57/69/1057285769.db2.gz QNEWTGSRMBJLHN-UHFFFAOYSA-N -1 3 307.271 4.370 20 30 DIEDHM CC(C)c1ccc(C#N)c(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242780594 1057473383 /nfs/dbraw/zinc/47/33/83/1057473383.db2.gz SITLQOUPNHCPEN-UHFFFAOYSA-N -1 3 306.287 4.468 20 30 DIEDHM CCCN(CCC)C(=O)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001243264353 1057626264 /nfs/dbraw/zinc/62/62/64/1057626264.db2.gz ZTMRCJKCZNWHLF-UHFFFAOYSA-N -1 3 324.424 4.424 20 30 DIEDHM CC[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000727265741 1057645328 /nfs/dbraw/zinc/64/53/28/1057645328.db2.gz WQWMWROUUNPZAG-BUESGFEBSA-N -1 3 313.788 4.492 20 30 DIEDHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1cccc(C#N)c1 ZINC000727640073 1057660837 /nfs/dbraw/zinc/66/08/37/1057660837.db2.gz BIGFSFDRMNSVIA-MRVPVSSYSA-N -1 3 309.152 4.111 20 30 DIEDHM CC(=NNc1ccc(Br)cc1)c1ccc([O-])cc1F ZINC000729932300 1057696275 /nfs/dbraw/zinc/69/62/75/1057696275.db2.gz ISDOGJXEMHDEIX-UHFFFAOYSA-N -1 3 323.165 4.130 20 30 DIEDHM [O-]/N=C1/CCc2cc(-c3ccc(C(F)(F)F)cc3O)ccc21 ZINC001243610999 1057732806 /nfs/dbraw/zinc/73/28/06/1057732806.db2.gz DPTPZBBSLQJQRL-ZHZULCJRSA-N -1 3 307.271 4.203 20 30 DIEDHM [O-]/N=C/c1cc(-c2cccc3nc[nH]c32)cc(C(F)(F)F)c1 ZINC001243936427 1057812793 /nfs/dbraw/zinc/81/27/93/1057812793.db2.gz UHJAYGZMOZHRCY-QPSGOUHRSA-N -1 3 305.259 4.057 20 30 DIEDHM COc1cc([O-])ccc1-c1nc(-c2ccccc2)ccc1C#N ZINC001243978493 1057827489 /nfs/dbraw/zinc/82/74/89/1057827489.db2.gz CIBQYBUTNHJMHW-UHFFFAOYSA-N -1 3 302.333 4.001 20 30 DIEDHM Cc1cc(-c2ccccc2C2(C#N)CCOCC2)cc([O-])c1F ZINC001244526361 1057986029 /nfs/dbraw/zinc/98/60/29/1057986029.db2.gz ZFSPDJXOLWWZCT-UHFFFAOYSA-N -1 3 311.356 4.079 20 30 DIEDHM CCc1cc(C#N)c([N-]C(=O)c2ocnc2-c2ccccc2)s1 ZINC001527843855 1058255967 /nfs/dbraw/zinc/25/59/67/1058255967.db2.gz QPMBKMAVPDRGSW-UHFFFAOYSA-N -1 3 323.377 4.089 20 30 DIEDHM C[C@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccccc1F ZINC001559033368 1058937799 /nfs/dbraw/zinc/93/77/99/1058937799.db2.gz GLECKRNHXRYXGN-GFCCVEGCSA-N -1 3 321.779 4.391 20 30 DIEDHM O=C(CCCc1ccc(F)cc1)N([O-])Cc1ccccc1Cl ZINC001559033727 1058941214 /nfs/dbraw/zinc/94/12/14/1058941214.db2.gz UZIWKZRLZPDFRA-UHFFFAOYSA-N -1 3 321.779 4.220 20 30 DIEDHM CCCCCCN([O-])C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC001559035001 1058942682 /nfs/dbraw/zinc/94/26/82/1058942682.db2.gz YEXKYPJEIXAIJD-UHFFFAOYSA-N -1 3 313.825 4.134 20 30 DIEDHM CCCCCCCCNC(=S)Nc1ncc([O-])cc1Cl ZINC001247140572 1059313413 /nfs/dbraw/zinc/31/34/13/1059313413.db2.gz LSZJKLINNJCZBJ-UHFFFAOYSA-N -1 3 315.870 4.088 20 30 DIEDHM CCCCCCCNC(=S)Nc1c([O-])cccc1Cl ZINC001249643147 1060328155 /nfs/dbraw/zinc/32/81/55/1060328155.db2.gz PLJKAIYRZJZJGJ-UHFFFAOYSA-N -1 3 300.855 4.302 20 30 DIEDHM Cc1ccc(C#N)c(Nc2ccc([O-])c(Br)c2)c1 ZINC001249901417 1060466499 /nfs/dbraw/zinc/46/64/99/1060466499.db2.gz SYAZMKJJNCYSJS-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM C=CCc1cccc(-c2nc3ccc(OC)cc3n2CC)c1[O-] ZINC001250712858 1061036486 /nfs/dbraw/zinc/03/64/86/1061036486.db2.gz NNTKMOMEOOXEFF-UHFFFAOYSA-N -1 3 308.381 4.166 20 30 DIEDHM Cc1ccc2cc(C(=O)N([O-])Cc3ccccc3Cl)[nH]c2c1 ZINC001458000759 1061534579 /nfs/dbraw/zinc/53/45/79/1061534579.db2.gz BZNBQDCHMFIMAD-UHFFFAOYSA-N -1 3 314.772 4.161 20 30 DIEDHM C[C@@H]1CC/C(=C\C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001457992320 1061535603 /nfs/dbraw/zinc/53/56/03/1061535603.db2.gz DNEAWWMWCNUOBU-UEUZTHOGSA-N -1 3 314.212 4.458 20 30 DIEDHM CC[C@H](CC(F)(F)F)C(=O)N([O-])CCCCc1ccccc1 ZINC001458007249 1061537736 /nfs/dbraw/zinc/53/77/36/1061537736.db2.gz GZLFMKOMKOFBCE-CQSZACIVSA-N -1 3 317.351 4.206 20 30 DIEDHM CCCCCCN([O-])C(=O)c1c(C)onc1-c1cccc(F)c1 ZINC001458009895 1061537773 /nfs/dbraw/zinc/53/77/73/1061537773.db2.gz HLFSYAUZBQCPQY-UHFFFAOYSA-N -1 3 320.364 4.201 20 30 DIEDHM CC[C@@H](CC(F)(F)F)C(=O)N([O-])CCCCc1ccccc1 ZINC001458007248 1061537881 /nfs/dbraw/zinc/53/78/81/1061537881.db2.gz GZLFMKOMKOFBCE-AWEZNQCLSA-N -1 3 317.351 4.206 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1csc(-c2ccccc2)n1 ZINC001458007286 1061538091 /nfs/dbraw/zinc/53/80/91/1061538091.db2.gz IBVVKSYRANCAQG-UHFFFAOYSA-N -1 3 318.442 4.151 20 30 DIEDHM CCCCCCN([O-])C(=O)C1(c2nccc3ccccc32)CC1 ZINC001458008758 1061538455 /nfs/dbraw/zinc/53/84/55/1061538455.db2.gz BKSNIBHAPIOPBQ-UHFFFAOYSA-N -1 3 312.413 4.065 20 30 DIEDHM O=C([C@@H]1CC2CCC1CC2)N([O-])CCCCc1ccccc1 ZINC001458007944 1061538584 /nfs/dbraw/zinc/53/85/84/1061538584.db2.gz LSBJPYJENOHDPD-DAWZGUTISA-N -1 3 301.430 4.053 20 30 DIEDHM O=C([C@H]1CCCCC1(F)F)N([O-])CCCCc1ccccc1 ZINC001458011259 1061540663 /nfs/dbraw/zinc/54/06/63/1061540663.db2.gz YDTPOLYPCRAYQA-OAHLLOKOSA-N -1 3 311.372 4.053 20 30 DIEDHM N#C[C@@]1(C(=O)N([O-])Cc2cccc3ccccc32)CC12CCCC2 ZINC001458015203 1061540909 /nfs/dbraw/zinc/54/09/09/1061540909.db2.gz CSOIIUZRTYZEJG-HXUWFJFHSA-N -1 3 320.392 4.032 20 30 DIEDHM CCCCN([O-])C(=O)CCCOc1ccc(Cl)cc1Cl ZINC001458025589 1061542887 /nfs/dbraw/zinc/54/28/87/1061542887.db2.gz WJKXFVSILUKCGP-UHFFFAOYSA-N -1 3 320.216 4.170 20 30 DIEDHM C=CCC[C@H](O)CNc1cc(Cl)c(CC)c(Cl)c1[O-] ZINC001252609632 1061676732 /nfs/dbraw/zinc/67/67/32/1061676732.db2.gz ZJFQVHNVYLQHTO-VIFPVBQESA-N -1 3 304.217 4.000 20 30 DIEDHM C=CCN(CCc1ccco1)Cc1c([O-])ccc(Cl)c1F ZINC001474390182 1062041420 /nfs/dbraw/zinc/04/14/20/1062041420.db2.gz FPFYMHJACGXMMJ-UHFFFAOYSA-N -1 3 309.768 4.008 20 30 DIEDHM C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc([O-])c1Cl ZINC001474591341 1062306409 /nfs/dbraw/zinc/30/64/09/1062306409.db2.gz GKKPAKHGMIKBAG-LBPRGKRZSA-N -1 3 300.789 4.110 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC001472621557 1063109510 /nfs/dbraw/zinc/10/95/10/1063109510.db2.gz ZSQBYIFXMAQHEX-UHFFFAOYSA-N -1 3 308.809 4.162 20 30 DIEDHM CCCCCCCCC[C@H](C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001258231527 1063571607 /nfs/dbraw/zinc/57/16/07/1063571607.db2.gz QOBFDZKDZRTFKD-HNNXBMFYSA-N -1 3 307.415 4.063 20 30 DIEDHM C=CCC[C@@H](NC(=O)c1cccc(CC)c1[O-])c1ccccc1 ZINC001295327197 1064908405 /nfs/dbraw/zinc/90/84/05/1064908405.db2.gz AYFGQESPFBEODN-GOSISDBHSA-N -1 3 309.409 4.392 20 30 DIEDHM C=CCN(C(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC001298807158 1065022440 /nfs/dbraw/zinc/02/24/40/1065022440.db2.gz YRFBRAAFKUBXKL-UHFFFAOYSA-N -1 3 303.361 4.378 20 30 DIEDHM Cc1cccc2oc(C(=O)N([O-])Cc3ccccc3Cl)cc21 ZINC001306894794 1065198743 /nfs/dbraw/zinc/19/87/43/1065198743.db2.gz RABHQGNZSKZAOF-UHFFFAOYSA-N -1 3 315.756 4.426 20 30 DIEDHM CCCCCCN([O-])C(=O)C1(c2ccc(F)cc2F)CCC1 ZINC001306896920 1065198803 /nfs/dbraw/zinc/19/88/03/1065198803.db2.gz RGFKMDKMXOXAAZ-UHFFFAOYSA-N -1 3 311.372 4.185 20 30 DIEDHM O=C(C1=CCCCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306894266 1065198836 /nfs/dbraw/zinc/19/88/36/1065198836.db2.gz RYNABAPGIQCMPQ-UHFFFAOYSA-N -1 3 300.185 4.212 20 30 DIEDHM O=C([C@H]1C[C@@H]1c1ccccc1)N([O-])CCCCc1ccccc1 ZINC001306896337 1065199051 /nfs/dbraw/zinc/19/90/51/1065199051.db2.gz SOIHITZCHVVLCW-MOPGFXCFSA-N -1 3 309.409 4.031 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1coc2c1ccc(F)c2F ZINC001306896546 1065199227 /nfs/dbraw/zinc/19/92/27/1065199227.db2.gz BJMIMTVQXDNSKU-UHFFFAOYSA-N -1 3 311.328 4.052 20 30 DIEDHM Cc1noc(C(C)C)c1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001306899890 1065200583 /nfs/dbraw/zinc/20/05/83/1065200583.db2.gz GGTGDHNCTOQJBL-UHFFFAOYSA-N -1 3 324.380 4.291 20 30 DIEDHM CCOc1cc(CNc2cc(C)cc(C#N)c2)cc(Cl)c1[O-] ZINC001308817272 1066293826 /nfs/dbraw/zinc/29/38/26/1066293826.db2.gz PSPMWBLVQHZQCP-UHFFFAOYSA-N -1 3 316.788 4.237 20 30 DIEDHM CC(C)(C)c1cc([N-]C(=O)c2cccc(F)c2F)c(C#N)s1 ZINC000091209067 193019007 /nfs/dbraw/zinc/01/90/07/193019007.db2.gz GJURGJMFZGLQDB-UHFFFAOYSA-N -1 3 320.364 4.448 20 30 DIEDHM Cc1csc([N-]C(=O)c2scnc2C2CCCC2)c1C#N ZINC000288651956 131334240 /nfs/dbraw/zinc/33/42/40/131334240.db2.gz ACJCNOHXFBXJBV-UHFFFAOYSA-N -1 3 317.439 4.295 20 30 DIEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cncs3)sc2[C@@H](C)C1 ZINC000297835984 132036169 /nfs/dbraw/zinc/03/61/69/132036169.db2.gz MYBUSOWDRYNIEG-BDAKNGLRSA-N -1 3 317.439 4.014 20 30 DIEDHM CC(C)c1cc(C(=O)[N-]c2ccccc2SCCC#N)no1 ZINC000156722403 332799201 /nfs/dbraw/zinc/79/92/01/332799201.db2.gz NDFTZMZTXQGMJD-UHFFFAOYSA-N -1 3 315.398 4.056 20 30 DIEDHM CCc1ccc(-c2ccc(C([O-])=C(C#N)c3ccccn3)o2)cc1 ZINC000173951860 332841851 /nfs/dbraw/zinc/84/18/51/332841851.db2.gz QFMKKNQQPXQIOC-INIZCTEOSA-N -1 3 316.360 4.394 20 30 DIEDHM CCc1ccc([O-])c(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000094039133 332264686 /nfs/dbraw/zinc/26/46/86/332264686.db2.gz NMNIYFBGJILHTA-AWEZNQCLSA-N -1 3 322.408 4.050 20 30 DIEDHM CC(C)(C)[S@@](=O)Cc1cccc(/N=C/c2ccccc2[O-])c1 ZINC000115961369 332336088 /nfs/dbraw/zinc/33/60/88/332336088.db2.gz XHLPQVPCNWVQPV-GSERBOKHSA-N -1 3 315.438 4.190 20 30 DIEDHM Cc1oc(-c2ccccc2)c(C([O-])=C(C#N)c2ccccn2)c1C ZINC000187242480 333428077 /nfs/dbraw/zinc/42/80/77/333428077.db2.gz VXCLCZJTVQDJGH-INIZCTEOSA-N -1 3 316.360 4.449 20 30 DIEDHM CC(C)(C)c1cc([N-]C(=O)c2sccc2F)c(C#N)s1 ZINC000410617724 333522722 /nfs/dbraw/zinc/52/27/22/333522722.db2.gz LGJOMEDDXMETHW-UHFFFAOYSA-N -1 3 308.403 4.370 20 30 DIEDHM Cc1c(Cl)cc(F)c([N-]C(=O)c2cc(C#N)cs2)c1F ZINC000534189938 333566932 /nfs/dbraw/zinc/56/69/32/333566932.db2.gz FBPRWLJSKNMMIL-UHFFFAOYSA-N -1 3 312.728 4.112 20 30 DIEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ccoc2Cl)s1 ZINC000411007371 333619835 /nfs/dbraw/zinc/61/98/35/333619835.db2.gz MWCZTUHDEILGRA-UHFFFAOYSA-N -1 3 308.790 4.416 20 30 DIEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000292821489 334193089 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O=C(CCCCCc1cccs1)N([O-])Cc1ccc(F)cc1 ZINC000901371803 1045712385 /nfs/dbraw/zinc/71/23/85/1045712385.db2.gz IMQCXSNBPUGAMA-UHFFFAOYSA-N -1 3 321.417 4.408 20 30 DIEDHM C[C@@H](CC(=O)N([O-])Cc1cccc2ccccc21)c1ccco1 ZINC000901370843 1045712442 /nfs/dbraw/zinc/71/24/42/1045712442.db2.gz IIAWFMVMKPGFDU-AWEZNQCLSA-N -1 3 309.365 4.344 20 30 DIEDHM Cc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cc1F ZINC000901371090 1045712607 /nfs/dbraw/zinc/71/26/07/1045712607.db2.gz RHSDJIXGNMQKIW-UHFFFAOYSA-N -1 3 309.340 4.319 20 30 DIEDHM CC[C@@H](Sc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371680 1045712816 /nfs/dbraw/zinc/71/28/16/1045712816.db2.gz HGRPOLUKRZJESW-MRXNPFEDSA-N -1 3 319.401 4.114 20 30 DIEDHM CC[C@@H](Cc1ccccc1C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372036 1045712858 /nfs/dbraw/zinc/71/28/58/1045712858.db2.gz OAGDYVPIVWPXKE-INIZCTEOSA-N -1 3 315.388 4.121 20 30 DIEDHM O=C(c1ccc(CF)cc1)N([O-])Cc1cccc2ccccc21 ZINC000901371493 1045713038 /nfs/dbraw/zinc/71/30/38/1045713038.db2.gz UEJSBSNUZBZFKU-UHFFFAOYSA-N -1 3 309.340 4.341 20 30 DIEDHM Cc1cc2cc(C(=O)N([O-])Cc3ccc(F)cc3)oc2cc1C ZINC000901372212 1045713544 /nfs/dbraw/zinc/71/35/44/1045713544.db2.gz UUPUNYWGLZEPQJ-UHFFFAOYSA-N -1 3 313.328 4.220 20 30 DIEDHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378795 1045714074 /nfs/dbraw/zinc/71/40/74/1045714074.db2.gz KVZIRFRERICSOF-DSMZTOPNSA-N -1 3 314.212 4.003 20 30 DIEDHM CC[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901374184 1045715042 /nfs/dbraw/zinc/71/50/42/1045715042.db2.gz GIQKXYIDKCNFAC-HNNXBMFYSA-N -1 3 301.361 4.127 20 30 DIEDHM O=C(CCC1CCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378259 1045715257 /nfs/dbraw/zinc/71/52/57/1045715257.db2.gz JRUGLPWYDXGDCX-UHFFFAOYSA-N -1 3 302.201 4.292 20 30 DIEDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378789 1045715924 /nfs/dbraw/zinc/71/59/24/1045715924.db2.gz KVZIRFRERICSOF-AIUZOBBOSA-N -1 3 314.212 4.003 20 30 DIEDHM Cc1cc(C)c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)o1 ZINC000901378956 1045716084 /nfs/dbraw/zinc/71/60/84/1045716084.db2.gz SHJFNIXYJPSLJJ-UHFFFAOYSA-N -1 3 314.168 4.235 20 30 DIEDHM O=C(c1cc(Cl)cc(Cl)c1)N([O-])Cc1ccc(F)cc1 ZINC000901379421 1045717120 /nfs/dbraw/zinc/71/71/20/1045717120.db2.gz XYDXCNOEQHWRBR-UHFFFAOYSA-N -1 3 314.143 4.164 20 30 DIEDHM Cc1cccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC000901379713 1045718059 /nfs/dbraw/zinc/71/80/59/1045718059.db2.gz NKGRYKTVAQMAOM-UHFFFAOYSA-N -1 3 310.180 4.333 20 30 DIEDHM C#CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccccc1 ZINC001137622745 1045908481 /nfs/dbraw/zinc/90/84/81/1045908481.db2.gz WPRYGNZOIIBOES-GOSISDBHSA-N -1 3 307.393 4.010 20 30 DIEDHM CC(=NNc1ccc2n[nH]cc2c1)c1ccc2ccccc2c1[O-] ZINC000779820647 1046099627 /nfs/dbraw/zinc/09/96/27/1046099627.db2.gz LHCRZXBLELROGG-UHFFFAOYSA-N -1 3 316.364 4.258 20 30 DIEDHM CC[C@H](NCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1[O-] ZINC000903101131 1046163146 /nfs/dbraw/zinc/16/31/46/1046163146.db2.gz ARUCZUXHMGTELU-NSHDSACASA-N -1 3 301.217 4.289 20 30 DIEDHM COc1cc(C(=O)/C=C/C=C/c2ccc(F)cc2F)ccc1[O-] ZINC000758017311 1046239346 /nfs/dbraw/zinc/23/93/46/1046239346.db2.gz LPBOLUCHEKSTEZ-ZUVMSYQZSA-N -1 3 316.303 4.131 20 30 DIEDHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(C#N)cc1 ZINC000749063337 1046426232 /nfs/dbraw/zinc/42/62/32/1046426232.db2.gz MNIYOEZFHJIMFR-QMMMGPOBSA-N -1 3 309.152 4.111 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2cn(C)nc2C2CCCCC2)ccc1[O-] ZINC000783707847 1046625756 /nfs/dbraw/zinc/62/57/56/1046625756.db2.gz SPPFANYPIIHDCF-PKNBQFBNSA-N -1 3 324.424 4.378 20 30 DIEDHM CC(C)CC[C@H](C)O/C(=N\[O-])c1ccccc1Br ZINC001223884255 1046964009 /nfs/dbraw/zinc/96/40/09/1046964009.db2.gz FJLCNABOCJSMGM-NLPIWRNCSA-N -1 3 314.223 4.426 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccccc1OC(F)F ZINC000839388912 1047222326 /nfs/dbraw/zinc/22/23/26/1047222326.db2.gz WBFTZENPIZALSG-DJKKODMXSA-N -1 3 311.715 4.266 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccccc1OC(F)F ZINC000839388913 1047222400 /nfs/dbraw/zinc/22/24/00/1047222400.db2.gz WBFTZENPIZALSG-OCKHKDLRSA-N -1 3 311.715 4.266 20 30 DIEDHM N#Cc1nc([N-]c2ccn(C3CCCCC3)n2)sc1Cl ZINC001118530882 1047300596 /nfs/dbraw/zinc/30/05/96/1047300596.db2.gz VSXRJJMCXJMFBH-UHFFFAOYSA-N -1 3 307.810 4.113 20 30 DIEDHM CN(Cc1cccc(C#N)c1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142118759 1047383413 /nfs/dbraw/zinc/38/34/13/1047383413.db2.gz ZUAGIDACKDJDLX-UHFFFAOYSA-N -1 3 321.207 4.203 20 30 DIEDHM N#CC(=C([O-])C=CC1CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000842802895 1047505531 /nfs/dbraw/zinc/50/55/31/1047505531.db2.gz KTPBXTYIHNUOCG-CFHLNLSMSA-N -1 3 308.303 4.023 20 30 DIEDHM C=CCCCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001155158416 1047668798 /nfs/dbraw/zinc/66/87/98/1047668798.db2.gz AQNWKOAFQUINTQ-UHFFFAOYSA-N -1 3 311.381 4.271 20 30 DIEDHM C=CC[C@H]1N(C(=O)c2ccc(CC)cc2[O-])CCCC1(C)C ZINC001156189761 1047704641 /nfs/dbraw/zinc/70/46/41/1047704641.db2.gz GBVHWOJVJCPWBA-QGZVFWFLSA-N -1 3 301.430 4.162 20 30 DIEDHM C=CCC1(CNC(=O)c2cc([O-])c3ccccc3c2)CCCC1 ZINC001157766431 1047753156 /nfs/dbraw/zinc/75/31/56/1047753156.db2.gz HVUIUDYOZAMSAD-UHFFFAOYSA-N -1 3 309.409 4.412 20 30 DIEDHM C=CC(C)(C)CCCNC(=O)c1ccc(OCCCC)cc1[O-] ZINC001184226605 1048013845 /nfs/dbraw/zinc/01/38/45/1048013845.db2.gz YQOYNBDMGXXQAY-UHFFFAOYSA-N -1 3 319.445 4.293 20 30 DIEDHM CCCCN([O-])C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC001184315171 1048022693 /nfs/dbraw/zinc/02/26/93/1048022693.db2.gz SCRIHXZZCRQFEB-UHFFFAOYSA-N -1 3 303.324 4.001 20 30 DIEDHM Cc1cccc([C@@H](C)C(=O)N([O-])CCCCc2ccccc2)c1 ZINC001184293063 1048026439 /nfs/dbraw/zinc/02/64/39/1048026439.db2.gz CWDXRGSOCLGTMW-QGZVFWFLSA-N -1 3 311.425 4.339 20 30 DIEDHM CSc1ccc(C)c(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001184283863 1048027158 /nfs/dbraw/zinc/02/71/58/1048027158.db2.gz UCHMQPCCEDDLGJ-UHFFFAOYSA-N -1 3 321.829 4.402 20 30 DIEDHM O=C([C@@H]1CCC[C@H]1c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001184348577 1048031896 /nfs/dbraw/zinc/03/18/96/1048031896.db2.gz PXKLRFWZADWTDH-ZWKOTPCHSA-N -1 3 313.372 4.127 20 30 DIEDHM O=C([C@@H]1CCC[C@@H]1c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001184348575 1048032725 /nfs/dbraw/zinc/03/27/25/1048032725.db2.gz PXKLRFWZADWTDH-QZTJIDSGSA-N -1 3 313.372 4.127 20 30 DIEDHM N#Cc1sccc1[N-]C(=O)c1cc(-c2ccccc2)cnc1F ZINC001199730457 1048094127 /nfs/dbraw/zinc/09/41/27/1048094127.db2.gz YFVYMCXFGKXVSU-UHFFFAOYSA-N -1 3 323.352 4.073 20 30 DIEDHM N#Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1C(F)(F)F ZINC001175100200 1048116186 /nfs/dbraw/zinc/11/61/86/1048116186.db2.gz NOTXEABTNJNNPN-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM CCCCCCN([O-])C(=O)CCc1ccc(F)c2c1CCCC2 ZINC001161826484 1048179294 /nfs/dbraw/zinc/17/92/94/1048179294.db2.gz BQPUSMJTTXERIL-UHFFFAOYSA-N -1 3 321.436 4.435 20 30 DIEDHM CCCCN([O-])C(=O)c1ccc(-c2ccccc2OC)s1 ZINC001161831860 1048181217 /nfs/dbraw/zinc/18/12/17/1048181217.db2.gz GBVXZFAVRXDVEL-UHFFFAOYSA-N -1 3 305.399 4.055 20 30 DIEDHM CCCCN([O-])C(=O)c1sc(-c2ccccc2)cc1OC ZINC001161831928 1048181488 /nfs/dbraw/zinc/18/14/88/1048181488.db2.gz IFYSZGLCEFMQOF-UHFFFAOYSA-N -1 3 305.399 4.055 20 30 DIEDHM [O-]c1ccc(Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1F ZINC001175385442 1048293719 /nfs/dbraw/zinc/29/37/19/1048293719.db2.gz QKZZUESZZOHOQD-UHFFFAOYSA-N -1 3 311.156 4.110 20 30 DIEDHM C#C[C@@H]([N-]c1nc2c(cccc2F)o1)c1ccc(Cl)cc1 ZINC001163445487 1048472744 /nfs/dbraw/zinc/47/27/44/1048472744.db2.gz QASAXMJKTYSQTH-CYBMUJFWSA-N -1 3 300.720 4.407 20 30 DIEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(-c2ccccc2)cc1 ZINC001188969190 1048574369 /nfs/dbraw/zinc/57/43/69/1048574369.db2.gz AEFXAVXSPWJHQS-UHFFFAOYSA-N -1 3 323.421 4.129 20 30 DIEDHM CC(C)Oc1ccc(Nc2cc(C#N)ccc2[O-])c(Cl)c1 ZINC001176158395 1048597937 /nfs/dbraw/zinc/59/79/37/1048597937.db2.gz LMIGAFWDHIWWLH-UHFFFAOYSA-N -1 3 302.761 4.448 20 30 DIEDHM N#Cc1ccc(SCc2cc(=O)[n-]c(-c3ccccc3)n2)cc1 ZINC001165548115 1048696115 /nfs/dbraw/zinc/69/61/15/1048696115.db2.gz YGSMLBMWWWKIQP-UHFFFAOYSA-N -1 3 319.389 4.013 20 30 DIEDHM N#Cc1ncc(Nc2cc([O-])cc(Cl)c2)cc1C(F)(F)F ZINC001176624079 1048738334 /nfs/dbraw/zinc/73/83/34/1048738334.db2.gz UEHWFDDYAJCIDV-UHFFFAOYSA-N -1 3 313.666 4.075 20 30 DIEDHM N#Cc1cccc(Br)c1Nc1cc([O-])cc(Cl)c1 ZINC001176625157 1048739219 /nfs/dbraw/zinc/73/92/19/1048739219.db2.gz XUJDJEBTVZDAQI-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM C[C@H](CC(C)(C)C#N)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000851205032 1048750833 /nfs/dbraw/zinc/75/08/33/1048750833.db2.gz WITROHWGINFRSR-MRVPVSSYSA-N -1 3 310.806 4.368 20 30 DIEDHM CC(C)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000483244355 1048761959 /nfs/dbraw/zinc/76/19/59/1048761959.db2.gz NCLGQCLYMVJMBN-INIZCTEOSA-N -1 3 315.376 4.243 20 30 DIEDHM COc1cc(/C=C2\Cc3cc(F)ccc3C2=O)cc(Cl)c1[O-] ZINC000114992429 1049136472 /nfs/dbraw/zinc/13/64/72/1049136472.db2.gz HLJJYNYIARNBDZ-NYYWCZLTSA-N -1 3 318.731 4.016 20 30 DIEDHM N#Cc1c2cccnc2ccc1-c1ccc([O-])cc1C(F)(F)F ZINC001205104523 1049378043 /nfs/dbraw/zinc/37/80/43/1049378043.db2.gz NEVSZBSBEKWLIH-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM N#CCCCCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001205665341 1049526408 /nfs/dbraw/zinc/52/64/08/1049526408.db2.gz XNFRSNSGGHXXEY-SRIJWZPRSA-N -1 3 308.381 4.317 20 30 DIEDHM [O-]/N=C(/c1ccccc1)[C@H](OCc1cccnc1)c1ccccc1 ZINC001206317922 1049710636 /nfs/dbraw/zinc/71/06/36/1049710636.db2.gz NWEGUIPEAINRRN-VZFXBBDVSA-N -1 3 318.376 4.218 20 30 DIEDHM COc1cc(C#N)ccc1Nc1cc(Cl)c(Cl)cc1[O-] ZINC001209432767 1050058844 /nfs/dbraw/zinc/05/88/44/1050058844.db2.gz BCYLOWWFOOZIRC-UHFFFAOYSA-N -1 3 309.152 4.323 20 30 DIEDHM COc1cccc(C#N)c1Nc1ccc([O-])c(C(F)(F)F)c1 ZINC001209986290 1050117604 /nfs/dbraw/zinc/11/76/04/1050117604.db2.gz XBXAIYNSAHGDBQ-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM C#Cc1ccc(Nc2cc(Br)cc(F)c2[O-])cc1 ZINC001210119085 1050139670 /nfs/dbraw/zinc/13/96/70/1050139670.db2.gz AJDFWHPDGNSWOW-UHFFFAOYSA-N -1 3 306.134 4.019 20 30 DIEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(CC)ccc1[O-] ZINC001136768763 1050151835 /nfs/dbraw/zinc/15/18/35/1050151835.db2.gz NSNPATVOHGMOBQ-UHFFFAOYSA-N -1 3 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[O-]/N=C/c1ccc(F)c(-c2cccc(O[C@@H]3CCCCO3)c2)c1 ZINC001241215585 1056964573 /nfs/dbraw/zinc/96/45/73/1056964573.db2.gz CMOOFDPRKOWMLW-BAOGCXAUSA-N -1 3 315.344 4.206 20 30 DIEDHM [O-]/N=C/c1ccc(-c2cccc(O[C@H]3CCCCO3)c2)cc1F ZINC001241217138 1056965104 /nfs/dbraw/zinc/96/51/04/1056965104.db2.gz VKQOYHQZNHRVTK-TYJAPOHBSA-N -1 3 315.344 4.206 20 30 DIEDHM COc1cc(-c2cc(C(F)(F)F)ccc2[O-])cc(F)c1C#N ZINC001242147883 1057280031 /nfs/dbraw/zinc/28/00/31/1057280031.db2.gz HVPNROVDUWFTRP-UHFFFAOYSA-N -1 3 311.234 4.097 20 30 DIEDHM CO/N=C/c1cc(-c2ccc([O-])c(C(F)(F)F)c2)ccc1F ZINC001242168541 1057285807 /nfs/dbraw/zinc/28/58/07/1057285807.db2.gz PQMIMJREPFDOJN-DNTJNYDQSA-N -1 3 313.250 4.197 20 30 DIEDHM CC(C)COC(=O)Nc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242564001 1057407085 /nfs/dbraw/zinc/40/70/85/1057407085.db2.gz OLLPMWXWESHAMB-UHFFFAOYSA-N -1 3 310.353 4.135 20 30 DIEDHM [O-]/N=C/c1ccc(F)c(-c2ccc(OCC(F)(F)F)cc2)c1 ZINC001242720796 1057459379 /nfs/dbraw/zinc/45/93/79/1057459379.db2.gz RLUVKMAKAJANNV-DNTJNYDQSA-N -1 3 313.250 4.242 20 30 DIEDHM [O-]/N=C/c1ccc(F)c(-c2cccc(OCC(F)(F)F)c2)c1 ZINC001243392751 1057669244 /nfs/dbraw/zinc/66/92/44/1057669244.db2.gz YOUZNOMBDSAHNR-DNTJNYDQSA-N -1 3 313.250 4.242 20 30 DIEDHM CC(=NNc1cccc(Br)c1)c1ccc([O-])cc1F ZINC000729932728 1057696219 /nfs/dbraw/zinc/69/62/19/1057696219.db2.gz PAIRVTFBYPSVTQ-UHFFFAOYSA-N -1 3 323.165 4.130 20 30 DIEDHM Cc1cc(Cl)c(N=Cc2ccc(O)c([O-])c2O)cc1Cl ZINC000751523350 1057708951 /nfs/dbraw/zinc/70/89/51/1057708951.db2.gz MFLMKWRNVHAGQH-UHFFFAOYSA-N -1 3 312.152 4.169 20 30 DIEDHM COc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1F ZINC000730590325 1057718336 /nfs/dbraw/zinc/71/83/36/1057718336.db2.gz MULLAQDGLCTNQI-MDXIRLPMSA-N -1 3 316.303 4.062 20 30 DIEDHM C=CCc1cc(C)cnc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244458052 1057963645 /nfs/dbraw/zinc/96/36/45/1057963645.db2.gz YDAYNZSSZMCMJS-UHFFFAOYSA-N -1 3 309.287 4.390 20 30 DIEDHM N#Cc1c[nH]c2ccc(-c3cc(OC(F)(F)F)ccc3[O-])cc12 ZINC001244461217 1057964752 /nfs/dbraw/zinc/96/47/52/1057964752.db2.gz LPFJVNRKWSDURQ-UHFFFAOYSA-N -1 3 318.254 4.311 20 30 DIEDHM N#CC1(c2ccc(-c3ccc(Cl)cc3[O-])cc2)CCOCC1 ZINC001244469772 1057968107 /nfs/dbraw/zinc/96/81/07/1057968107.db2.gz SGXQRMHBXKJDIK-UHFFFAOYSA-N -1 3 313.784 4.284 20 30 DIEDHM N#Cc1ccc(NC(=S)Nc2c([O-])ccc3ccccc32)cc1 ZINC001245922205 1058624428 /nfs/dbraw/zinc/62/44/28/1058624428.db2.gz TXAGJOBXXJNZEW-UHFFFAOYSA-N -1 3 319.389 4.226 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC001559035209 1058941994 /nfs/dbraw/zinc/94/19/94/1058941994.db2.gz HHNRIBLARPZMKT-NUEKZKHPSA-N -1 3 307.821 4.024 20 30 DIEDHM O=C(C1CCC2(CC2)CC1)N([O-])CCCCc1ccccc1 ZINC001559034118 1058942610 /nfs/dbraw/zinc/94/26/10/1058942610.db2.gz NADWVKOGYZGQMN-UHFFFAOYSA-N -1 3 301.430 4.198 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC001559034970 1058943298 /nfs/dbraw/zinc/94/32/98/1058943298.db2.gz WWYLMUHVSWRUBJ-UHFFFAOYSA-N -1 3 324.730 4.166 20 30 DIEDHM O=C([C@@H]1CCC=CCCC1)N([O-])CCCCc1ccccc1 ZINC001559034224 1058943813 /nfs/dbraw/zinc/94/38/13/1058943813.db2.gz QYTJYKKQCKIKMQ-GOSISDBHSA-N -1 3 301.430 4.364 20 30 DIEDHM Cc1sc([N-]C(=O)c2nc(C(C)(C)C)cs2)c(C#N)c1C ZINC001522969341 1059164047 /nfs/dbraw/zinc/16/40/47/1059164047.db2.gz GCVGCYZIRIXFGB-UHFFFAOYSA-N -1 3 319.455 4.243 20 30 DIEDHM Cc1ccc(C#N)c(Nc2cc([O-])ccc2Br)c1 ZINC001249901119 1060464053 /nfs/dbraw/zinc/46/40/53/1060464053.db2.gz BKWPCXPAGAJXRJ-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM C[C@@H]1CC/C(=C/C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001457992309 1061534808 /nfs/dbraw/zinc/53/48/08/1061534808.db2.gz DNEAWWMWCNUOBU-PAKSIRSJSA-N -1 3 314.212 4.458 20 30 DIEDHM CCCCCCN([O-])C(=O)c1nc(-c2ccccc2F)oc1C ZINC001458010097 1061538674 /nfs/dbraw/zinc/53/86/74/1061538674.db2.gz IFLKCOZTSYMFOW-UHFFFAOYSA-N -1 3 320.364 4.201 20 30 DIEDHM C[C@H](Cc1ccccc1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC001458015597 1061540304 /nfs/dbraw/zinc/54/03/04/1061540304.db2.gz GAUIRCOPOYGTPA-MRXNPFEDSA-N -1 3 319.404 4.436 20 30 DIEDHM C[C@@H]1C[C@H](CC(=O)N([O-])Cc2ccc(F)cc2)CC(C)(C)C1 ZINC001458017524 1061540716 /nfs/dbraw/zinc/54/07/16/1061540716.db2.gz RLTIBFPZBHFGML-UKRRQHHQSA-N -1 3 307.409 4.396 20 30 DIEDHM O=C(c1cccnc1C1CC1)N([O-])Cc1cccc2ccccc21 ZINC001458014898 1061541501 /nfs/dbraw/zinc/54/15/01/1061541501.db2.gz BELQKTISTHYDRY-UHFFFAOYSA-N -1 3 318.376 4.144 20 30 DIEDHM C=CCC1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCCC1 ZINC001468080493 1062260267 /nfs/dbraw/zinc/26/02/67/1062260267.db2.gz KSVJTJIMAQAION-UHFFFAOYSA-N -1 3 319.420 4.249 20 30 DIEDHM C[C@@H]1C[C@@H]1c1nnc(-c2cc([O-])cc(-c3cccc(C#N)c3)c2)o1 ZINC001256771313 1062970451 /nfs/dbraw/zinc/97/04/51/1062970451.db2.gz FCBMCQJJWUIVQL-DIFFPNOSSA-N -1 3 317.348 4.104 20 30 DIEDHM O=C(c1cc2occc2s1)N([O-])CCCCc1ccccc1 ZINC001472620099 1063108107 /nfs/dbraw/zinc/10/81/07/1063108107.db2.gz OMUFEQKHFSOVNS-UHFFFAOYSA-N -1 3 315.394 4.349 20 30 DIEDHM CCCCCCN([O-])C(=O)COc1cccc2ccccc21 ZINC001472619729 1063109428 /nfs/dbraw/zinc/10/94/28/1063109428.db2.gz UJXHPDVFOYCAPA-UHFFFAOYSA-N -1 3 301.386 4.017 20 30 DIEDHM O=C(C1CCC(C2CC2)CC1)N([O-])CCCCc1ccccc1 ZINC001472619475 1063109957 /nfs/dbraw/zinc/10/99/57/1063109957.db2.gz NJYNALWCPKBILO-UHFFFAOYSA-N -1 3 315.457 4.444 20 30 DIEDHM O=C(CCCc1ccsc1)N([O-])Cc1ccccc1Cl ZINC001472620215 1063110399 /nfs/dbraw/zinc/11/03/99/1063110399.db2.gz TXQYEDVRTCIWLY-UHFFFAOYSA-N -1 3 309.818 4.142 20 30 DIEDHM C=C(C)c1cccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1 ZINC001472627986 1063112262 /nfs/dbraw/zinc/11/22/62/1063112262.db2.gz AOGYUMOMARRGIN-UHFFFAOYSA-N -1 3 318.376 4.122 20 30 DIEDHM Cc1nc(C(C)C)oc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001472622673 1063113033 /nfs/dbraw/zinc/11/30/33/1063113033.db2.gz MWFYWKMWKZMSAL-UHFFFAOYSA-N -1 3 324.380 4.291 20 30 DIEDHM CCC#C[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC001472922452 1063317309 /nfs/dbraw/zinc/31/73/09/1063317309.db2.gz WPZPVVFUVBAYIL-JTQLQIEISA-N -1 3 307.419 4.315 20 30 DIEDHM CCCCCCCCCC[C@@H](C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001257550317 1063333507 /nfs/dbraw/zinc/33/35/07/1063333507.db2.gz LXTICVXRNTVZRH-MRXNPFEDSA-N -1 3 321.442 4.453 20 30 DIEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1c(C)cccc1[O-] ZINC001290032925 1064676501 /nfs/dbraw/zinc/67/65/01/1064676501.db2.gz UZAUUPRPOPSJDH-UHFFFAOYSA-N -1 3 321.829 4.244 20 30 DIEDHM C=C(C)COc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC001292767472 1064786241 /nfs/dbraw/zinc/78/62/41/1064786241.db2.gz VMJDTYBJDGJNHM-UHFFFAOYSA-N -1 3 311.381 4.216 20 30 DIEDHM C[C@@H](CC(=O)N([O-])CCCCc1ccccc1)c1ccccc1 ZINC001306896156 1065198752 /nfs/dbraw/zinc/19/87/52/1065198752.db2.gz MEJGXCQPGKORBZ-KRWDZBQOSA-N -1 3 311.425 4.421 20 30 DIEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1cc2ccccc2o1 ZINC001306900263 1065200384 /nfs/dbraw/zinc/20/03/84/1065200384.db2.gz LFXNTGOVDUALAE-LBPRGKRZSA-N -1 3 313.328 4.093 20 30 DIEDHM CCc1ccc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000190267702 334927675 /nfs/dbraw/zinc/92/76/75/334927675.db2.gz LHRFGXLKVRUVON-AWEZNQCLSA-N -1 3 322.408 4.050 20 30 DIEDHM CC(C)c1cc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)no1 ZINC000297772910 132033344 /nfs/dbraw/zinc/03/33/44/132033344.db2.gz MVLRUURXKBZPHP-UHFFFAOYSA-N -1 3 317.414 4.281 20 30 DIEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3cscn3)sc2CC[C@@H]1C ZINC000298007320 132044091 /nfs/dbraw/zinc/04/40/91/132044091.db2.gz ZGCQSPOTYCANPP-DTWKUNHWSA-N -1 3 317.439 4.014 20 30 DIEDHM Cc1noc(C)c1C[C@@H](C)/N=C/c1c([O-])ccc2ccccc21 ZINC000150937785 332675664 /nfs/dbraw/zinc/67/56/64/332675664.db2.gz VAIKIRQPBZAPNJ-ZICWZVMQSA-N -1 3 308.381 4.200 20 30 DIEDHM C=CC1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000580319604 333146560 /nfs/dbraw/zinc/14/65/60/333146560.db2.gz QUAAZYPIZYEDQH-AWEZNQCLSA-N -1 3 314.212 4.017 20 30 DIEDHM CC[C@H](C)CO[N-]C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000292821495 334193001 /nfs/dbraw/zinc/19/30/01/334193001.db2.gz DBFQSYKUIKAMLH-QWHCGFSZSA-N -1 3 321.446 4.038 20 30 DIEDHM CCc1onc(C)c1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330401183 334778200 /nfs/dbraw/zinc/77/82/00/334778200.db2.gz NZKPRPUWVATWLQ-UHFFFAOYSA-N -1 3 302.374 4.185 20 30 DIEDHM CC(C)(C)c1nnc([N-]C(=O)c2csc(C(C)(C)C)n2)s1 ZINC000330428853 334781463 /nfs/dbraw/zinc/78/14/63/334781463.db2.gz HZQZWATZUPOLRX-UHFFFAOYSA-N -1 3 324.475 4.226 20 30 DIEDHM Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)sc1C ZINC000345366841 335320651 /nfs/dbraw/zinc/32/06/51/335320651.db2.gz COAUUZVDQXLXTP-LBPRGKRZSA-N -1 3 309.394 4.040 20 30 DIEDHM Cc1ccc(NC(=O)C2CCC(NC(=O)C3CC3)CC2)c([O-])c1 ZINC000329993257 336103640 /nfs/dbraw/zinc/10/36/40/336103640.db2.gz LFDSWJHJJWWPBN-UHFFFAOYSA-N -1 3 316.401 4.214 20 30 DIEDHM C[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1ccc(C#N)cc1 ZINC000301203236 336294667 /nfs/dbraw/zinc/29/46/67/336294667.db2.gz REEVDENIYAYBIK-NSHDSACASA-N -1 3 324.771 4.435 20 30 DIEDHM Cc1ccc(-c2ccc(C([O-])=C(C#N)c3ccccn3)s2)o1 ZINC000181514738 337182746 /nfs/dbraw/zinc/18/27/46/337182746.db2.gz ARIATNGHOUEDRR-GFCCVEGCSA-N -1 3 308.362 4.202 20 30 DIEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000182410683 337188251 /nfs/dbraw/zinc/18/82/51/337188251.db2.gz CXOHQRWZSAWRJK-LBPRGKRZSA-N -1 3 312.394 4.039 20 30 DIEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)oc2c1c(C)ccc2C ZINC000066507074 337542392 /nfs/dbraw/zinc/54/23/92/337542392.db2.gz VIPDNINHXZLXBG-AWEZNQCLSA-N -1 3 304.349 4.243 20 30 DIEDHM N#Cc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cc1 ZINC000436614808 338280087 /nfs/dbraw/zinc/28/00/87/338280087.db2.gz AYELCAYGGOJWCK-UHFFFAOYSA-N -1 3 313.316 4.134 20 30 DIEDHM Cc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)c([O-])c1C ZINC000436927077 338293887 /nfs/dbraw/zinc/29/38/87/338293887.db2.gz ODRDZBYKRJVNPV-GOSISDBHSA-N -1 3 322.408 4.174 20 30 DIEDHM N#CC(=C([O-])c1ccc(Cl)c(C(F)(F)F)c1)c1ccccn1 ZINC000156473869 338363269 /nfs/dbraw/zinc/36/32/69/338363269.db2.gz JMXNZNCXBSIRNQ-SNVBAGLBSA-N -1 3 324.689 4.244 20 30 DIEDHM N#CC(=C([O-])c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464471818 339142926 /nfs/dbraw/zinc/14/29/26/339142926.db2.gz NFGKMIZRKQLBMW-LBPRGKRZSA-N -1 3 324.689 4.244 20 30 DIEDHM C=CCn1c(S[C@@H](CC)c2ccc(Cl)cc2)n[n-]c1=O ZINC000470840644 339329016 /nfs/dbraw/zinc/32/90/16/339329016.db2.gz KQRWZWGUXHGRJI-LBPRGKRZSA-N -1 3 309.822 4.067 20 30 DIEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(C)c1[O-] ZINC000301751954 340260437 /nfs/dbraw/zinc/26/04/37/340260437.db2.gz VALPPYSIKRYLED-UHFFFAOYSA-N -1 3 321.829 4.244 20 30 DIEDHM Cc1cc(Cl)cc(NC(=O)c2ccc(Cl)c(C#N)c2)c1[O-] ZINC000542709709 341018565 /nfs/dbraw/zinc/01/85/65/341018565.db2.gz DSMSPWVGBYIAER-UHFFFAOYSA-N -1 3 321.163 4.131 20 30 DIEDHM C=CCn1c(S[C@H](C)c2ccc(C(C)C)cc2)n[n-]c1=O ZINC000543144673 341034195 /nfs/dbraw/zinc/03/41/95/341034195.db2.gz YCQMMQNPJPWYLU-GFCCVEGCSA-N -1 3 303.431 4.146 20 30 DIEDHM CCc1cc(C#N)c([N-]C(=O)c2coc(-c3ccccc3)n2)s1 ZINC000078082893 341235493 /nfs/dbraw/zinc/23/54/93/341235493.db2.gz PNEJOAQVUSEDIK-UHFFFAOYSA-N -1 3 323.377 4.089 20 30 DIEDHM N#CCCCCSc1nnc([N-]c2ccccc2F)s1 ZINC000136020712 341250775 /nfs/dbraw/zinc/25/07/75/341250775.db2.gz OTXQRUQAVMEGCQ-UHFFFAOYSA-N -1 3 308.407 4.207 20 30 DIEDHM N#CCc1ccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000566829034 341569331 /nfs/dbraw/zinc/56/93/31/341569331.db2.gz XXEKHGIPUXKLGT-UHFFFAOYSA-N -1 3 315.785 4.201 20 30 DIEDHM CCOc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)ccc1OC ZINC000728230734 1036156085 /nfs/dbraw/zinc/15/60/85/1036156085.db2.gz GVGBSOHPNOEMIF-YVMONPNESA-N -1 3 312.365 4.004 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2ccc(Br)s2)ccc1[O-] ZINC000728230678 1036160633 /nfs/dbraw/zinc/16/06/33/1036160633.db2.gz DVWUBMDUKCANCK-ZZXKWVIFSA-N -1 3 323.211 4.421 20 30 DIEDHM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000728230661 1036161480 /nfs/dbraw/zinc/16/14/80/1036161480.db2.gz DKIKKZUIBRLQTF-CSKARUKUSA-N -1 3 318.376 4.295 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2ccccc2OCC2CC2)ccc1[O-] ZINC000728232933 1036191937 /nfs/dbraw/zinc/19/19/37/1036191937.db2.gz YGPCUJYTELWKCJ-DHZHZOJOSA-N -1 3 308.377 4.386 20 30 DIEDHM Cc1ccc(C#N)cc1Nc1cccc([O-])c1Br ZINC001210505476 1036752720 /nfs/dbraw/zinc/75/27/20/1036752720.db2.gz NRHOPTUOFGDPPL-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM CC(C)(C)c1ccc([O-])c(Nc2cc(C#N)cc([N+](=O)[O-])c2)c1 ZINC001211333782 1037305694 /nfs/dbraw/zinc/30/56/94/1037305694.db2.gz YTYHYUUBKBQABC-UHFFFAOYSA-N -1 3 311.341 4.213 20 30 DIEDHM CCc1ccc(C(=O)/C=C\c2cc(Cl)c([O-])c(OC)c2)o1 ZINC000255766296 1040471878 /nfs/dbraw/zinc/47/18/78/1040471878.db2.gz DBRZPIRVMBHGJZ-XQRVVYSFSA-N -1 3 306.745 4.106 20 30 DIEDHM N#CC(=C([O-])c1cc2c(s1)CCC2)c1ccc2ccccc2n1 ZINC000613290547 1040861018 /nfs/dbraw/zinc/86/10/18/1040861018.db2.gz FJGDSYNZFBGJLR-CQSZACIVSA-N -1 3 318.401 4.275 20 30 DIEDHM CCCOc1ccc(Cl)cc1C([O-])=C(C#N)c1ccccn1 ZINC000175099642 1041031177 /nfs/dbraw/zinc/03/11/77/1041031177.db2.gz QGTTUIKOQCFSJL-CQSZACIVSA-N -1 3 314.772 4.014 20 30 DIEDHM Cc1ncc(CO)c(C=Nc2ccc(-c3ccccc3)cc2)c1[O-] ZINC000747707105 1041512667 /nfs/dbraw/zinc/51/26/67/1041512667.db2.gz FBXZNNSHOAROCB-UHFFFAOYSA-N -1 3 318.376 4.006 20 30 DIEDHM N#Cc1ccccc1C(=O)/C=C/c1cc([O-])cc(C(F)(F)F)c1 ZINC000811691097 1041557501 /nfs/dbraw/zinc/55/75/01/1041557501.db2.gz KMAYRBGKQXIXEA-AATRIKPKSA-N -1 3 317.266 4.179 20 30 DIEDHM CCc1nc2ccccc2n1N=Cc1ccc2ccccc2c1[O-] ZINC000814787645 1041869737 /nfs/dbraw/zinc/86/97/37/1041869737.db2.gz RURWYFVEYYZJTI-UHFFFAOYSA-N -1 3 315.376 4.340 20 30 DIEDHM [O-]c1cccc(C=NNc2nccc3sccc32)c1Cl ZINC000814809050 1041873134 /nfs/dbraw/zinc/87/31/34/1041873134.db2.gz NRZNYECQGGAQEH-UHFFFAOYSA-N -1 3 303.774 4.101 20 30 DIEDHM COc1ccccc1CON=Cc1ccc2ccccc2c1[O-] ZINC000814924077 1041890295 /nfs/dbraw/zinc/89/02/95/1041890295.db2.gz UYGKMMWIFNMZRQ-UHFFFAOYSA-N -1 3 307.349 4.105 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-]C1(c2ccc(F)cc2F)CCCC1 ZINC000815882743 1041999938 /nfs/dbraw/zinc/99/99/38/1041999938.db2.gz JPYIUAZHVFSLRM-UHFFFAOYSA-N -1 3 315.310 4.062 20 30 DIEDHM CN(C)Cc1cccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c1 ZINC000821017294 1042237969 /nfs/dbraw/zinc/23/79/69/1042237969.db2.gz FAUWZUWPQLMFHC-SOFGYWHQSA-N -1 3 315.800 4.003 20 30 DIEDHM COc1cc(C(=O)/C=C/c2ccccc2OC(C)C)ccc1[O-] ZINC000028913222 1043028339 /nfs/dbraw/zinc/02/83/39/1043028339.db2.gz GTHKQWGGFPCJJQ-CSKARUKUSA-N -1 3 312.365 4.084 20 30 DIEDHM CC(C)Cc1nnc([N-]C(=O)c2csc(C(C)(C)C)n2)s1 ZINC000330453713 1043089211 /nfs/dbraw/zinc/08/92/11/1043089211.db2.gz VLVOVNDSFWBYIE-UHFFFAOYSA-N -1 3 324.475 4.127 20 30 DIEDHM CCn1c(C/N=C/c2cc(Cl)ccc2[O-])nc2ccccc21 ZINC000005165995 1043129548 /nfs/dbraw/zinc/12/95/48/1043129548.db2.gz ZDTUNUYFQHXGSS-VXLYETTFSA-N -1 3 313.788 4.034 20 30 DIEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cc2ccccc2o1 ZINC000794930575 1043228282 /nfs/dbraw/zinc/22/82/82/1043228282.db2.gz GADKVCIQLVDGHS-ALCCZGGFSA-N -1 3 300.260 4.313 20 30 DIEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cc2ccccc2o1 ZINC000794930576 1043229115 /nfs/dbraw/zinc/22/91/15/1043229115.db2.gz GADKVCIQLVDGHS-FNORWQNLSA-N -1 3 300.260 4.313 20 30 DIEDHM Cc1cccc2c1[C@H](C)/C(=C\c1c(F)ccc([O-])c1F)C2=O ZINC000794944459 1043242126 /nfs/dbraw/zinc/24/21/26/1043242126.db2.gz BSDYSXZZRONGSQ-ZDIKFAODSA-N -1 3 300.304 4.362 20 30 DIEDHM CSc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794937697 1043242348 /nfs/dbraw/zinc/24/23/48/1043242348.db2.gz IOANQMYICGIPRZ-SOFGYWHQSA-N -1 3 306.333 4.288 20 30 DIEDHM O=C1c2ccc(Cl)cc2C/C1=C/c1c(F)ccc([O-])c1F ZINC000794942334 1043245024 /nfs/dbraw/zinc/24/50/24/1043245024.db2.gz LYEWIDSNPYGRSC-CLFYSBASSA-N -1 3 306.695 4.146 20 30 DIEDHM CCCc1cc(C([O-])=C(C#N)c2nccc3ccccc32)ccn1 ZINC000355402373 1043765402 /nfs/dbraw/zinc/76/54/02/1043765402.db2.gz CNQMZWNCGMYZEL-GOSISDBHSA-N -1 3 315.376 4.072 20 30 DIEDHM CCc1cccc(C(=O)N[C@H](CCCC#N)c2ccccc2)c1[O-] ZINC000562289487 1044096495 /nfs/dbraw/zinc/09/64/95/1044096495.db2.gz RTRLDDDXXOAEJU-GOSISDBHSA-N -1 3 322.408 4.120 20 30 DIEDHM CCOc1cc(/C=C/C(=O)c2ccc(C)o2)cc(Cl)c1[O-] ZINC000045615864 1044882775 /nfs/dbraw/zinc/88/27/75/1044882775.db2.gz HFKSTNKENNPVHV-AATRIKPKSA-N -1 3 306.745 4.242 20 30 DIEDHM C=C(C)CN(CC)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000578541062 1045251041 /nfs/dbraw/zinc/25/10/41/1045251041.db2.gz WREWTAAOKLIZMK-ZDUSSCGKSA-N -1 3 302.201 4.017 20 30 DIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cocc2C)cc1 ZINC000528921600 1045428853 /nfs/dbraw/zinc/42/88/53/1045428853.db2.gz YOKDRSLRYMJELU-MLGOLLRUSA-N -1 3 324.380 4.063 20 30 DIEDHM CCOc1cc(/C=C/C(=O)c2ccc(CC)o2)cc(Cl)c1[O-] ZINC000752238229 1045667884 /nfs/dbraw/zinc/66/78/84/1045667884.db2.gz PUHIIZJXAAKEKW-FNORWQNLSA-N -1 3 320.772 4.496 20 30 DIEDHM O=C(c1csc(C2CC2)n1)N([O-])Cc1cccc2ccccc21 ZINC000901369903 1045710141 /nfs/dbraw/zinc/71/01/41/1045710141.db2.gz JLTXRYXRCPGIHI-UHFFFAOYSA-N -1 3 324.405 4.205 20 30 DIEDHM O=C([C@H]1C[C@H]1C1CCCC1)N([O-])Cc1cccc2ccccc21 ZINC000901370685 1045711431 /nfs/dbraw/zinc/71/14/31/1045711431.db2.gz DDOCIOBQTDLBSA-OALUTQOASA-N -1 3 309.409 4.384 20 30 DIEDHM CC(C)(C)c1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901372062 1045711540 /nfs/dbraw/zinc/71/15/40/1045711540.db2.gz OUNHFWNIGKCDOM-UHFFFAOYSA-N -1 3 301.361 4.155 20 30 DIEDHM C/C(=C/c1cccc(Cl)c1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372155 1045711722 /nfs/dbraw/zinc/71/17/22/1045711722.db2.gz SHJWSXVPVUCVEU-XFXZXTDPSA-N -1 3 319.763 4.300 20 30 DIEDHM C[C@H](CC(=O)N([O-])Cc1cccc2ccccc21)C(F)(F)F ZINC000901371954 1045713306 /nfs/dbraw/zinc/71/33/06/1045713306.db2.gz YRUMAMTURPSXGA-LLVKDONJSA-N -1 3 311.303 4.146 20 30 DIEDHM O=C(N([O-])Cc1cc(Cl)cc(Cl)c1)C1(C(F)F)CCC1 ZINC000901378177 1045713967 /nfs/dbraw/zinc/71/39/67/1045713967.db2.gz DWLQWBFBGRYTJW-UHFFFAOYSA-N -1 3 324.154 4.147 20 30 DIEDHM O=C([C@@H]1CCC[C@H]2C[C@H]21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378550 1045714016 /nfs/dbraw/zinc/71/40/16/1045714016.db2.gz IVKZRXOSTRMOHQ-ZLKJLUDKSA-N -1 3 314.212 4.147 20 30 DIEDHM O=C(c1cc2cc(F)ccc2s1)N([O-])Cc1ccc(F)cc1 ZINC000901376316 1045715516 /nfs/dbraw/zinc/71/55/16/1045715516.db2.gz SQMZUFAWJCYOOB-UHFFFAOYSA-N -1 3 319.332 4.211 20 30 DIEDHM O=C([C@H]1Cc2ccccc21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380349 1045716866 /nfs/dbraw/zinc/71/68/66/1045716866.db2.gz VRIPXMGOTLDGRT-HNNXBMFYSA-N -1 3 322.191 4.051 20 30 DIEDHM C[C@H](C#N)CN(Cc1cc2oc3ccccc3c2cc1[O-])C1CC1 ZINC000753988414 1045827242 /nfs/dbraw/zinc/82/72/42/1045827242.db2.gz QCNWVWMFENYWOD-CYBMUJFWSA-N -1 3 320.392 4.416 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccc(OC(F)F)c(F)c2)ccc1[O-] ZINC000754685939 1045912665 /nfs/dbraw/zinc/91/26/65/1045912665.db2.gz QVOKUQOBBZKSMQ-DJWKRKHSSA-N -1 3 322.282 4.337 20 30 DIEDHM C=CCN(Cc1cc(C(=O)[O-])c(CC)o1)CC1CCCCC1 ZINC000902253589 1045957351 /nfs/dbraw/zinc/95/73/51/1045957351.db2.gz QRJPHODZZMPHAG-UHFFFAOYSA-N -1 3 305.418 4.109 20 30 DIEDHM C=CCOc1ccccc1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756569334 1046099890 /nfs/dbraw/zinc/09/98/90/1046099890.db2.gz MQZSJLDCHRZVRQ-LBPRGKRZSA-N -1 3 319.351 4.086 20 30 DIEDHM CC[C@@H](NCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1[O-] ZINC000903101130 1046163604 /nfs/dbraw/zinc/16/36/04/1046163604.db2.gz ARUCZUXHMGTELU-LLVKDONJSA-N -1 3 301.217 4.289 20 30 DIEDHM Cc1cc(C)c(C(C)N=Nc2nc3ccccc3c(=O)[n-]2)cc1C ZINC000757591843 1046188738 /nfs/dbraw/zinc/18/87/38/1046188738.db2.gz ZDLLYKXTIJBLGY-UHFFFAOYSA-N -1 3 320.396 4.097 20 30 DIEDHM [O-]c1cc(Cl)c(C=NNc2ncccc2Cl)cc1Cl ZINC000758105554 1046246434 /nfs/dbraw/zinc/24/64/34/1046246434.db2.gz CWIXIFALCOXBIV-UHFFFAOYSA-N -1 3 316.575 4.193 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1nc(Cl)cs1 ZINC000759075713 1046316426 /nfs/dbraw/zinc/31/64/26/1046316426.db2.gz IVDZYMXSYFYHDU-BBEKVSQQSA-N -1 3 309.749 4.025 20 30 DIEDHM N#CC(=C([O-])c1ccccc1-c1ccccc1C#N)c1ccccn1 ZINC000041482070 1046451384 /nfs/dbraw/zinc/45/13/84/1046451384.db2.gz IZCMFMYFFZXRAQ-LJQANCHMSA-N -1 3 323.355 4.110 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cc(C)c3ncccc3c2)ccc1[O-] ZINC000783707454 1046625231 /nfs/dbraw/zinc/62/52/31/1046625231.db2.gz PYPPZQUKACLFTR-ALCCZGGFSA-N -1 3 303.361 4.453 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cn(C)nc2C2CCCCC2)ccc1[O-] ZINC000783707846 1046625690 /nfs/dbraw/zinc/62/56/90/1046625690.db2.gz SPPFANYPIIHDCF-LUAWRHEFSA-N -1 3 324.424 4.378 20 30 DIEDHM CC(C)n1ncc2c1[C@@H](/N=C/c1cc(Cl)ccc1[O-])CCC2 ZINC001116600279 1047160437 /nfs/dbraw/zinc/16/04/37/1047160437.db2.gz CAHFPAZIVHAEAX-OMPOGXFXSA-N -1 3 317.820 4.320 20 30 DIEDHM CC(C)n1ncc2c1[C@H](/N=C/c1cc(Cl)ccc1[O-])CCC2 ZINC001116600281 1047160557 /nfs/dbraw/zinc/16/05/57/1047160557.db2.gz CAHFPAZIVHAEAX-VTNJTDAWSA-N -1 3 317.820 4.320 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(OC(F)F)cc1 ZINC000839388503 1047222233 /nfs/dbraw/zinc/22/22/33/1047222233.db2.gz XOLQKGXAUGKVCT-OCKHKDLRSA-N -1 3 311.715 4.266 20 30 DIEDHM N#Cc1cccc(NC(=S)Nc2cc3ccccc3cc2[O-])c1 ZINC001197712806 1047874458 /nfs/dbraw/zinc/87/44/58/1047874458.db2.gz WDAIFEHDFXSPFJ-UHFFFAOYSA-N -1 3 319.389 4.226 20 30 DIEDHM CC(C)(C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001184236212 1048015461 /nfs/dbraw/zinc/01/54/61/1048015461.db2.gz VEWQGNCWXISQSR-UHFFFAOYSA-N -1 3 302.201 4.147 20 30 DIEDHM CCCCN([O-])C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001184314799 1048022900 /nfs/dbraw/zinc/02/29/00/1048022900.db2.gz LBXKTVJEEUHFHM-OLZOCXBDSA-N -1 3 302.201 4.115 20 30 DIEDHM Cc1ccc(CCC(=O)N([O-])CCCCc2ccccc2)cc1 ZINC001184293129 1048026326 /nfs/dbraw/zinc/02/63/26/1048026326.db2.gz GGQMXBBNVSMMOZ-UHFFFAOYSA-N -1 3 311.425 4.168 20 30 DIEDHM CSc1ccsc1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293584 1048028874 /nfs/dbraw/zinc/02/88/74/1048028874.db2.gz ZMKSEGBEZKJXRU-UHFFFAOYSA-N -1 3 321.467 4.324 20 30 DIEDHM COc1ccc(Nc2cc(C#N)ccc2[O-])cc1C(F)(F)F ZINC001175071182 1048126232 /nfs/dbraw/zinc/12/62/32/1048126232.db2.gz MMVZRQOGPPLXBF-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM O=C([C@@H]1CCCC2(CC2)C1)N([O-])CCCCc1ccccc1 ZINC001161819384 1048177205 /nfs/dbraw/zinc/17/72/05/1048177205.db2.gz RHNBVSRGCHTLFF-QGZVFWFLSA-N -1 3 301.430 4.198 20 30 DIEDHM O=C([C@H]1CCCC2(CC2)C1)N([O-])CCCCc1ccccc1 ZINC001161819383 1048177822 /nfs/dbraw/zinc/17/78/22/1048177822.db2.gz RHNBVSRGCHTLFF-KRWDZBQOSA-N -1 3 301.430 4.198 20 30 DIEDHM CSc1cc(C)c(C(=O)N([O-])CCCCc2ccccc2)o1 ZINC001161819876 1048178880 /nfs/dbraw/zinc/17/88/80/1048178880.db2.gz XQYMKBQFILZJKT-UHFFFAOYSA-N -1 3 319.426 4.164 20 30 DIEDHM Cc1c([N-]c2onc(C(C)(C)C)c2C#N)cnn1-c1ccccc1 ZINC001201369483 1048240957 /nfs/dbraw/zinc/24/09/57/1048240957.db2.gz ZZUFPOUIQIFQPE-UHFFFAOYSA-N -1 3 321.384 4.082 20 30 DIEDHM N#Cc1cc(C(F)(F)F)ccc1Nc1cc(F)c(F)cc1[O-] ZINC001201697960 1048347989 /nfs/dbraw/zinc/34/79/89/1048347989.db2.gz CVEFTIXVNIJDQW-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM CCCCCCCCS(=O)(=O)[N-]c1c(C)cccc1OC ZINC001188012994 1048466931 /nfs/dbraw/zinc/46/69/31/1048466931.db2.gz NBNPNVXDSKWKNG-UHFFFAOYSA-N -1 3 313.463 4.106 20 30 DIEDHM CCCCCCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001188288730 1048492525 /nfs/dbraw/zinc/49/25/25/1048492525.db2.gz AUINAWXZMILKHA-UHFFFAOYSA-N -1 3 321.845 4.118 20 30 DIEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1cccc(Cl)c1Cl ZINC001189227311 1048604571 /nfs/dbraw/zinc/60/45/71/1048604571.db2.gz DYUKBNTVSUPFJA-UHFFFAOYSA-N -1 3 322.151 4.215 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2ccc(Oc3ccccc3)nc2)c1 ZINC001176374833 1048665032 /nfs/dbraw/zinc/66/50/32/1048665032.db2.gz FERPEUKWQNGUJW-UHFFFAOYSA-N -1 3 303.321 4.195 20 30 DIEDHM N#Cc1c(Br)cccc1Nc1cc([O-])cc(Cl)c1 ZINC001176624597 1048737733 /nfs/dbraw/zinc/73/77/33/1048737733.db2.gz MGEKNESMDGOLMQ-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM N#Cc1cnnc(-c2ccccc2)c1Nc1cc([O-])cc(Cl)c1 ZINC001176623739 1048737935 /nfs/dbraw/zinc/73/79/35/1048737935.db2.gz CLACMPMPMPWYCQ-UHFFFAOYSA-N -1 3 322.755 4.118 20 30 DIEDHM Cc1ccc(F)cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483193717 1048752884 /nfs/dbraw/zinc/75/28/84/1048752884.db2.gz HVOHRGJSHJWPRT-KRWDZBQOSA-N -1 3 304.324 4.172 20 30 DIEDHM Cc1[n-]sc(=NC=Cc2ccc(C(F)(F)F)cc2)c1C#N ZINC001176659911 1048764577 /nfs/dbraw/zinc/76/45/77/1048764577.db2.gz ADHNMUDMSTXEOW-VOTSOKGWSA-N -1 3 309.316 4.425 20 30 DIEDHM N#Cc1ccc(C=CNc2cccc([O-])c2Br)cc1 ZINC001203310191 1048866459 /nfs/dbraw/zinc/86/64/59/1048866459.db2.gz QSRVJAHYMINLSZ-CMDGGOBGSA-N -1 3 315.170 4.109 20 30 DIEDHM CC(C)c1csc(C(=O)[N-]c2c(F)cc(C#N)cc2Cl)n1 ZINC001193510867 1049220208 /nfs/dbraw/zinc/22/02/08/1049220208.db2.gz QDZSHCULCHJFGW-UHFFFAOYSA-N -1 3 323.780 4.183 20 30 DIEDHM CCCCCCCCCCN(C)C(=O)c1nccc(OC)c1[O-] ZINC001193529544 1049223270 /nfs/dbraw/zinc/22/32/70/1049223270.db2.gz SAGNLCSXAGSAPZ-UHFFFAOYSA-N -1 3 322.449 4.009 20 30 DIEDHM N#Cc1cc(-c2ccc([O-])cc2C(F)(F)F)nc2ccccc12 ZINC001205080228 1049365797 /nfs/dbraw/zinc/36/57/97/1049365797.db2.gz PBPNJWPUHAIXLB-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2ccc(-c3ccc(O)cc3)cc2)c1 ZINC001205139773 1049392289 /nfs/dbraw/zinc/39/22/89/1049392289.db2.gz AKFVBKGRSGQPBO-UHFFFAOYSA-N -1 3 302.333 4.380 20 30 DIEDHM N#Cc1cc([O-])ccc1NC(=O)Oc1ccc2ccccc2c1 ZINC001194657218 1049404556 /nfs/dbraw/zinc/40/45/56/1049404556.db2.gz FVRKYPGQWJTWTG-UHFFFAOYSA-N -1 3 304.305 4.028 20 30 DIEDHM [O-]c1ccc(F)c(C=NNc2ccccc2C(F)(F)F)c1F ZINC000794453553 1049521219 /nfs/dbraw/zinc/52/12/19/1049521219.db2.gz RVLRKCRCDQLIRN-UHFFFAOYSA-N -1 3 316.229 4.135 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cscc2Br)ccc1[O-] ZINC000794708181 1049678497 /nfs/dbraw/zinc/67/84/97/1049678497.db2.gz QEIVZTIRVZKORF-HYXAFXHYSA-N -1 3 323.211 4.421 20 30 DIEDHM CC(=NNc1ccc(Br)cc1)c1cc(F)ccc1[O-] ZINC000912828038 1049804901 /nfs/dbraw/zinc/80/49/01/1049804901.db2.gz GKDINXJWZFWPIM-UHFFFAOYSA-N -1 3 323.165 4.130 20 30 DIEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3sccc3F)sc2C1 ZINC000590974141 1050115816 /nfs/dbraw/zinc/11/58/16/1050115816.db2.gz QJEYIFVKQIGLRW-MRVPVSSYSA-N -1 3 320.414 4.197 20 30 DIEDHM COc1ccc(Nc2ccc([O-])c(C(F)(F)F)c2)c(C#N)c1 ZINC001209985418 1050116959 /nfs/dbraw/zinc/11/69/59/1050116959.db2.gz BCMVJGXRKKNUPH-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM Cc1cc(C#N)cc(C#N)c1Nc1ccc([O-])c(C(F)(F)F)c1 ZINC001209985918 1050117049 /nfs/dbraw/zinc/11/70/49/1050117049.db2.gz NUGMIXBESZRKIW-UHFFFAOYSA-N -1 3 317.270 4.206 20 30 DIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3nccs3)c(C#N)c2[C@@H]1C ZINC000591004356 1050118210 /nfs/dbraw/zinc/11/82/10/1050118210.db2.gz BVNOMSIVZYRXTJ-RKDXNWHRSA-N -1 3 317.439 4.014 20 30 DIEDHM Cc1cc(C#N)ccc1Nc1cc(Br)cc(F)c1[O-] ZINC001210377009 1050223730 /nfs/dbraw/zinc/22/37/30/1050223730.db2.gz UVXJXCXCMXRBFK-UHFFFAOYSA-N -1 3 321.149 4.218 20 30 DIEDHM N#Cc1cc(Nc2ccc3c(c2)C(=O)c2ccccc2-3)ccc1[O-] ZINC001210532294 1050284447 /nfs/dbraw/zinc/28/44/47/1050284447.db2.gz FWHIORXTYQUGKS-UHFFFAOYSA-N -1 3 312.328 4.219 20 30 DIEDHM CC(C)(C)[C@@H]1OCCC[C@@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000735619852 1050412627 /nfs/dbraw/zinc/41/26/27/1050412627.db2.gz RKNAKERAMJERMU-MKHSIZEZSA-N -1 3 309.837 4.306 20 30 DIEDHM COc1cc(Nc2cc(C#N)ccc2[O-])cc(C(F)(F)F)c1 ZINC001211335263 1050550285 /nfs/dbraw/zinc/55/02/85/1050550285.db2.gz FTTQGAFZPFCUAF-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1Cl ZINC000741467065 1050682694 /nfs/dbraw/zinc/68/26/94/1050682694.db2.gz KACAYLZHJKHSFE-UTCJRWHESA-N -1 3 302.757 4.259 20 30 DIEDHM COc1cc(NN=C(C)c2ccc([O-])c(F)c2)ccc1Cl ZINC000788472193 1050685476 /nfs/dbraw/zinc/68/54/76/1050685476.db2.gz PTQAGPJKDFLHAM-UHFFFAOYSA-N -1 3 308.740 4.029 20 30 DIEDHM Cc1cccc(O[C@@H](C)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000741843191 1050749004 /nfs/dbraw/zinc/74/90/04/1050749004.db2.gz JVPXBWJCEHOMHP-MDBUFAAASA-N -1 3 303.789 4.240 20 30 DIEDHM N#Cc1c([N-]C(=O)c2ccc(C(F)F)o2)sc2c1CCCC2 ZINC000602225082 1050916094 /nfs/dbraw/zinc/91/60/94/1050916094.db2.gz OATLIHNBWRXHKT-UHFFFAOYSA-N -1 3 322.336 4.281 20 30 DIEDHM COc1cc(C(=O)/C=C/c2ccc(OCC3CC3)cc2)ccc1[O-] ZINC000790216701 1050928523 /nfs/dbraw/zinc/92/85/23/1050928523.db2.gz TWFBQXAZWAGASC-UXBLZVDNSA-N -1 3 324.376 4.086 20 30 DIEDHM C[C@H](C/N=C/c1cc(Cl)ccc1[O-])Oc1ccc(F)cc1 ZINC000743041852 1050976923 /nfs/dbraw/zinc/97/69/23/1050976923.db2.gz DTYCIZYMBOIDIF-VURRPDKYSA-N -1 3 307.752 4.071 20 30 DIEDHM CC(C)Oc1ccc(F)c(F)c1Nc1cc(C#N)ccc1[O-] ZINC001215078824 1051073539 /nfs/dbraw/zinc/07/35/39/1051073539.db2.gz ILFKIXVBBICTDN-UHFFFAOYSA-N -1 3 304.296 4.073 20 30 DIEDHM N#CC(=C([O-])C=Cc1cccs1)c1nccc2ccccc21 ZINC000792101729 1051115806 /nfs/dbraw/zinc/11/58/06/1051115806.db2.gz PDTZOACHFCDNPU-WAVCKPEOSA-N -1 3 304.374 4.186 20 30 DIEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nccc2ccccc21 ZINC000792105970 1051116628 /nfs/dbraw/zinc/11/66/28/1051116628.db2.gz OPFQADNTHPXDGY-GFOMBABLSA-N -1 3 316.335 4.264 20 30 DIEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])[C@H]1OCCc2sccc21 ZINC000793668440 1051331715 /nfs/dbraw/zinc/33/17/15/1051331715.db2.gz NMBLANYYUNMVLJ-UWVOYOETSA-N -1 3 321.829 4.229 20 30 DIEDHM CCCOc1c(F)cc(F)c(Nc2ccc([O-])c(C#N)c2)c1F ZINC001212649641 1051334206 /nfs/dbraw/zinc/33/42/06/1051334206.db2.gz QASUJUOWVPWKOT-UHFFFAOYSA-N -1 3 322.286 4.214 20 30 DIEDHM CC(C)(C)c1noc([N-]c2ccc(Cl)c3c[nH]nc32)c1C#N ZINC001216055866 1051552916 /nfs/dbraw/zinc/55/29/16/1051552916.db2.gz PVBCYSMLKKDKFO-UHFFFAOYSA-N -1 3 315.764 4.117 20 30 DIEDHM [O-]c1ccc(Br)cc1/C=N\C1CCC(F)(F)CC1 ZINC000761179124 1051597490 /nfs/dbraw/zinc/59/74/90/1051597490.db2.gz AAQGTBPKMAWMNV-IUXPMGMMSA-N -1 3 318.161 4.152 20 30 DIEDHM Cc1c(C#N)cccc1Nc1ccc([O-])c(Br)c1 ZINC001216177845 1051613227 /nfs/dbraw/zinc/61/32/27/1051613227.db2.gz UHRCLHHQDPQZGM-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM N#CC1(c2ccc(NCc3ncccc3[O-])cc2)CCCCC1 ZINC001169732826 1051690851 /nfs/dbraw/zinc/69/08/51/1051690851.db2.gz MYBYYDSXOZQPRT-UHFFFAOYSA-N -1 3 307.397 4.125 20 30 DIEDHM Cc1c2ccc(F)cc2sc1C([O-])=C(C#N)c1ccccn1 ZINC000805854821 1051692971 /nfs/dbraw/zinc/69/29/71/1051692971.db2.gz YQWZRVWLNVXZCL-CYBMUJFWSA-N -1 3 310.353 4.234 20 30 DIEDHM CCOc1ccc(C=Nc2ccc(C#N)cc2Cl)c([O-])c1 ZINC000767686336 1051838295 /nfs/dbraw/zinc/83/82/95/1051838295.db2.gz AJDZUGMSPGDNAX-UHFFFAOYSA-N -1 3 300.745 4.067 20 30 DIEDHM CC(C)c1cccc(-c2nc(-c3cc(C#N)ccc3F)no2)c1[O-] ZINC001217014975 1051930861 /nfs/dbraw/zinc/93/08/61/1051930861.db2.gz UOHYQIWJWZPZLR-UHFFFAOYSA-N -1 3 323.327 4.243 20 30 DIEDHM CC(C)(C)CN(CCC#N)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769334362 1052026420 /nfs/dbraw/zinc/02/64/20/1052026420.db2.gz CSSTXJMYMZNUIS-UHFFFAOYSA-N -1 3 315.244 4.461 20 30 DIEDHM CCCCCCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000915794946 1052479387 /nfs/dbraw/zinc/47/93/87/1052479387.db2.gz BKTNTLUPLPJIAV-UHFFFAOYSA-N -1 3 310.463 4.127 20 30 DIEDHM CCCCSCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649025914 1052535343 /nfs/dbraw/zinc/53/53/43/1052535343.db2.gz GWMYUCMDLMXUBT-UHFFFAOYSA-N -1 3 322.257 4.245 20 30 DIEDHM CC(C)C[C@H](C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649026003 1052536825 /nfs/dbraw/zinc/53/68/25/1052536825.db2.gz JSZVLVITWCFAMK-JTQLQIEISA-N -1 3 304.217 4.393 20 30 DIEDHM CC(=NNc1ccc(F)cc1)c1cc(Br)ccc1[O-] ZINC000916268316 1052600081 /nfs/dbraw/zinc/60/00/81/1052600081.db2.gz YCWYMEXRXIECLE-UHFFFAOYSA-N -1 3 323.165 4.130 20 30 DIEDHM COc1cc(C=NNc2cc(C)cc(C)c2)cc(Cl)c1[O-] ZINC000916346769 1052604350 /nfs/dbraw/zinc/60/43/50/1052604350.db2.gz UBQXQVXLYGLIQS-UHFFFAOYSA-N -1 3 304.777 4.117 20 30 DIEDHM C[C@@H](O/C(=N\[O-])c1ccccn1)c1cccc(C(F)(F)F)c1 ZINC001223977573 1052657122 /nfs/dbraw/zinc/65/71/22/1052657122.db2.gz LECAEDVYNAKOPH-JULGBPTESA-N -1 3 310.275 4.014 20 30 DIEDHM COc1ccc(CNN=C(C)c2ccc3ccccc3c2[O-])cc1 ZINC000917549405 1052737953 /nfs/dbraw/zinc/73/79/53/1052737953.db2.gz XGPXGPHAVDRDCH-UHFFFAOYSA-N -1 3 320.392 4.068 20 30 DIEDHM C=CC[C@@H](Oc1[n-]c(C)cc(=O)c1C#N)c1ccc(Cl)cc1 ZINC001225468555 1052792140 /nfs/dbraw/zinc/79/21/40/1052792140.db2.gz AQVDKLQUUVWAIW-MRXNPFEDSA-N -1 3 314.772 4.317 20 30 DIEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2cc(Cl)ccc2C)[n-]1 ZINC001225469496 1052792325 /nfs/dbraw/zinc/79/23/25/1052792325.db2.gz LEXUMWAABZSMJZ-NSHDSACASA-N -1 3 302.761 4.069 20 30 DIEDHM Cc1cc(=O)c(C#N)c(OC(c2ccccc2)c2ccccc2)[n-]1 ZINC001225467508 1052792590 /nfs/dbraw/zinc/79/25/90/1052792590.db2.gz RXTOXLPHIHRMJC-UHFFFAOYSA-N -1 3 316.360 4.136 20 30 DIEDHM C=CC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001225663625 1052814416 /nfs/dbraw/zinc/81/44/16/1052814416.db2.gz DSOYLBMPZLZLKM-CYBMUJFWSA-N -1 3 320.732 4.045 20 30 DIEDHM [O-]/N=C/c1cccc(O[C@H]2CC[C@@H](OCc3ccccc3)C2)c1 ZINC001226115951 1052869709 /nfs/dbraw/zinc/86/97/09/1052869709.db2.gz LDHGBURSALPYAS-DITKOHGZSA-N -1 3 311.381 4.011 20 30 DIEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1c([O-])ccc(C(C)=O)c1O ZINC001226483335 1052901395 /nfs/dbraw/zinc/90/13/95/1052901395.db2.gz WCTPPUXDPFVJEI-RBOXIYTFSA-N -1 3 304.386 4.060 20 30 DIEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226597942 1052914257 /nfs/dbraw/zinc/91/42/57/1052914257.db2.gz YQUFHCHCMXFMRP-GOEBONIOSA-N -1 3 312.365 4.178 20 30 DIEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000901376534 1052933841 /nfs/dbraw/zinc/93/38/41/1052933841.db2.gz VIUQHAZGHBUCQV-UHFFFAOYSA-N -1 3 321.779 4.175 20 30 DIEDHM O=C(N([O-])Cc1cc(Cl)cc(Cl)c1)[C@@]12C[C@@H]1CCCC2 ZINC000901378597 1052938579 /nfs/dbraw/zinc/93/85/79/1052938579.db2.gz NMZSLDFNJOSPKO-NHYWBVRUSA-N -1 3 314.212 4.292 20 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IHWCMEKHDHOOIV-OAHLLOKOSA-N -1 3 306.365 4.288 20 30 DIEDHM CC(C)(C)c1ccc([O-])c(NC(=O)/C=C\c2ccccc2C#N)c1 ZINC000849208068 1053063108 /nfs/dbraw/zinc/06/31/08/1053063108.db2.gz WVIDAUQBXXOKGL-FLIBITNWSA-N -1 3 320.392 4.213 20 30 DIEDHM C=CC[C@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)c1ccccc1 ZINC001228675072 1053157854 /nfs/dbraw/zinc/15/78/54/1053157854.db2.gz NNRQCGMJVIAFTD-KRWDZBQOSA-N -1 3 323.352 4.476 20 30 DIEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853715 1053192886 /nfs/dbraw/zinc/19/28/86/1053192886.db2.gz JZOKJCKOLXLPFK-YEWDVWPNSA-N -1 3 300.398 4.281 20 30 DIEDHM C=CC[C@H](Oc1ncc(Br)cc1[O-])c1ccccc1 ZINC001228956673 1053213734 /nfs/dbraw/zinc/21/37/34/1053213734.db2.gz PYNRXUANMYUIGP-AWEZNQCLSA-N -1 3 320.186 4.246 20 30 DIEDHM C=C[C@H](Oc1cccc([O-])c1Br)c1ccccc1 ZINC001229141738 1053257909 /nfs/dbraw/zinc/25/79/09/1053257909.db2.gz MKPBGRHBDCOJJJ-ZDUSSCGKSA-N -1 3 305.171 4.461 20 30 DIEDHM C=CC(C=C)Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229268031 1053287300 /nfs/dbraw/zinc/28/73/00/1053287300.db2.gz ZOHJLPSCMJTMJW-UHFFFAOYSA-N -1 3 320.344 4.285 20 30 DIEDHM C=C[C@@H](C)Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229268798 1053287386 /nfs/dbraw/zinc/28/73/86/1053287386.db2.gz UQNGWSAPNKEENU-GFCCVEGCSA-N -1 3 308.333 4.119 20 30 DIEDHM C#C[C@@H]1CCC[C@H]1Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229536314 1053348223 /nfs/dbraw/zinc/34/82/23/1053348223.db2.gz BUSMYXCJUNZANC-DNVCBOLYSA-N -1 3 320.388 4.112 20 30 DIEDHM CC(C)(C)N1CC(Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229932588 1053435126 /nfs/dbraw/zinc/43/51/26/1053435126.db2.gz FRBUUQMTZQCARH-CIAFOILYSA-N -1 3 324.424 4.004 20 30 DIEDHM O=C(CC1CC(F)(F)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001332028848 1054106000 /nfs/dbraw/zinc/10/60/00/1054106000.db2.gz FSLBMPFPFYLXNB-UHFFFAOYSA-N -1 3 324.154 4.147 20 30 DIEDHM CO[C@H]1CCCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC001336981190 1054254764 /nfs/dbraw/zinc/25/47/64/1054254764.db2.gz JSBKYKUEEAZSDR-LBPRGKRZSA-N -1 3 316.430 4.039 20 30 DIEDHM N#CC=C([O-])c1ccccc1O[C@H](c1ccccc1)C(F)(F)F ZINC001233522409 1054287823 /nfs/dbraw/zinc/28/78/23/1054287823.db2.gz HLBKRWHOMBXMRY-MRXNPFEDSA-N -1 3 319.282 4.465 20 30 DIEDHM N#CC=C([O-])c1ccccc1O[C@H]1CCc2c1cc(F)cc2F ZINC001233531295 1054290015 /nfs/dbraw/zinc/29/00/15/1054290015.db2.gz QXPJBOJYCXDEJQ-SFHVURJKSA-N -1 3 313.303 4.127 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2ccc(N3CCCC3)cc2)ccc1[O-] ZINC001338495045 1054308020 /nfs/dbraw/zinc/30/80/20/1054308020.db2.gz PRSBKFDHQATVBM-UXBLZVDNSA-N -1 3 307.393 4.197 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(Br)o1 ZINC001338581925 1054310257 /nfs/dbraw/zinc/31/02/57/1054310257.db2.gz DDZYMJROKKEDFY-UUASQNMZSA-N -1 3 314.566 4.020 20 30 DIEDHM CCCCC(=O)[C@@H](CCCC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233801499 1054362014 /nfs/dbraw/zinc/36/20/14/1054362014.db2.gz ASRDYJSIEZQZCJ-CXDFQFJYSA-N -1 3 321.417 4.200 20 30 DIEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2ccc(/C=N/[O-])cc2OC)C1 ZINC001233800452 1054362056 /nfs/dbraw/zinc/36/20/56/1054362056.db2.gz QPXOGSHESIMWBQ-GPOHSQBXSA-N -1 3 301.386 4.183 20 30 DIEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(/C=N/[O-])cc1OC ZINC001233803555 1054363819 /nfs/dbraw/zinc/36/38/19/1054363819.db2.gz QWGDXHXXNDYBPM-ZOKJHOEXSA-N -1 3 303.402 4.263 20 30 DIEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC001234143864 1054438460 /nfs/dbraw/zinc/43/84/60/1054438460.db2.gz GYIFYMUXJJJQLR-SNVBAGLBSA-N -1 3 323.270 4.302 20 30 DIEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1OC(F)(F)F ZINC001234144613 1054438906 /nfs/dbraw/zinc/43/89/06/1054438906.db2.gz RGPWMRMTDLYQJU-SNVBAGLBSA-N -1 3 323.270 4.302 20 30 DIEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC001234142971 1054439805 /nfs/dbraw/zinc/43/98/05/1054439805.db2.gz YRKLZLHENYQZGJ-SNVBAGLBSA-N -1 3 307.271 4.423 20 30 DIEDHM C=C[C@]1(C)CC[C@@H](Oc2c([O-])cc(Cl)cc2F)C(C)(C)O1 ZINC001234444328 1054523670 /nfs/dbraw/zinc/52/36/70/1054523670.db2.gz OMPFENIUSIVNAA-CZUORRHYSA-N -1 3 314.784 4.466 20 30 DIEDHM CCC[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccc1 ZINC001234514559 1054541047 /nfs/dbraw/zinc/54/10/47/1054541047.db2.gz XUDJOKLUBKAIHT-MRXNPFEDSA-N -1 3 319.364 4.127 20 30 DIEDHM C=CCOc1ccccc1[C@@H](C)Oc1nc2ccsc2[n-]1 ZINC001234848569 1054601607 /nfs/dbraw/zinc/60/16/07/1054601607.db2.gz QXBDRXCHLNGLCM-LLVKDONJSA-N -1 3 300.383 4.329 20 30 DIEDHM C=CCOc1ccccc1[C@@H](C)Oc1nc2sccc2[n-]1 ZINC001234848569 1054601613 /nfs/dbraw/zinc/60/16/13/1054601613.db2.gz QXBDRXCHLNGLCM-LLVKDONJSA-N -1 3 300.383 4.329 20 30 DIEDHM CC(C)c1csc(C(C#N)=C([O-])c2cccc3c2CCC3)n1 ZINC000177778342 1054635356 /nfs/dbraw/zinc/63/53/56/1054635356.db2.gz OQXGIRWYMDKPSP-OAHLLOKOSA-N -1 3 310.422 4.245 20 30 DIEDHM CC(C)c1csc(C(C#N)=C([O-])c2cccc3c2CCC3)n1 ZINC000177778327 1054636532 /nfs/dbraw/zinc/63/65/32/1054636532.db2.gz OQXGIRWYMDKPSP-HNNXBMFYSA-N -1 3 310.422 4.245 20 30 DIEDHM COc1cc(OC(F)(F)F)ccc1-c1cccc(/C=N/[O-])c1 ZINC001236380559 1055085629 /nfs/dbraw/zinc/08/56/29/1055085629.db2.gz HZUWRHVZOFAQSV-DJKKODMXSA-N -1 3 311.259 4.069 20 30 DIEDHM CCC(N=Nc1nccc2sccc21)c1ccc([O-])c(F)c1 ZINC000764684269 1055236200 /nfs/dbraw/zinc/23/62/00/1055236200.db2.gz WRQLLDYBIMNJEK-UHFFFAOYSA-N -1 3 315.373 4.367 20 30 DIEDHM N#CCCN(Cc1ccc(Cl)cc1)Cc1ccc(F)c([O-])c1 ZINC001236706905 1055238546 /nfs/dbraw/zinc/23/85/46/1055238546.db2.gz BBWMXENFRWFGKH-UHFFFAOYSA-N -1 3 318.779 4.101 20 30 DIEDHM CC(C)n1cc2c(n1)[C@@H](/N=C/c1cc(Cl)ccc1[O-])CCC2 ZINC000764888187 1055281568 /nfs/dbraw/zinc/28/15/68/1055281568.db2.gz QPMABDHTMOLWHH-OMPOGXFXSA-N -1 3 317.820 4.320 20 30 DIEDHM Cc1ccc(CC(=O)N([O-])CCCCc2ccccc2)cc1C ZINC001649045834 1055746819 /nfs/dbraw/zinc/74/68/19/1055746819.db2.gz DNMXVRIHINLJLF-UHFFFAOYSA-N -1 3 311.425 4.087 20 30 DIEDHM Cc1ccc(C[C@@H](C)C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001649046141 1055750715 /nfs/dbraw/zinc/75/07/15/1055750715.db2.gz MCCNILHMPOKASI-CQSZACIVSA-N -1 3 317.816 4.245 20 30 DIEDHM CC1=C(C)C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC001649051965 1055768372 /nfs/dbraw/zinc/76/83/72/1055768372.db2.gz MVDLHSDHHJKAPO-SFHVURJKSA-N -1 3 301.430 4.364 20 30 DIEDHM CCCCCCN([O-])C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC001649056576 1055784988 /nfs/dbraw/zinc/78/49/88/1055784988.db2.gz CZDNWRWOIYLGPO-OAHLLOKOSA-N -1 3 311.809 4.100 20 30 DIEDHM CCCCCCN([O-])C(=O)c1occc1COc1ccccc1 ZINC001649056991 1055788803 /nfs/dbraw/zinc/78/88/03/1055788803.db2.gz NRVFGLYMSTXXDH-UHFFFAOYSA-N -1 3 317.385 4.270 20 30 DIEDHM CCCCN([O-])C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC001649061507 1055828454 /nfs/dbraw/zinc/82/84/54/1055828454.db2.gz OXTBMJQTKXGUMD-UHFFFAOYSA-N -1 3 303.324 4.046 20 30 DIEDHM N#Cc1nc2ccc(Nc3ccc(Cl)cc3[O-])cc2s1 ZINC001214409706 1056084695 /nfs/dbraw/zinc/08/46/95/1056084695.db2.gz OHGOHAMWVMUWFA-UHFFFAOYSA-N -1 3 301.758 4.271 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC001611655598 1056178146 /nfs/dbraw/zinc/17/81/46/1056178146.db2.gz KCGRMESOWKEZEP-ZDUSSCGKSA-N -1 3 313.825 4.214 20 30 DIEDHM O=C(c1ccc(F)c(Cl)c1)N([O-])Cc1ccccc1Cl ZINC001611650924 1056178387 /nfs/dbraw/zinc/17/83/87/1056178387.db2.gz QHZALRUPOSEBNA-UHFFFAOYSA-N -1 3 314.143 4.164 20 30 DIEDHM CCCCN([O-])C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC001611658226 1056178607 /nfs/dbraw/zinc/17/86/07/1056178607.db2.gz ZULNEMUNIHJAIP-NSHDSACASA-N -1 3 303.324 4.217 20 30 DIEDHM CC(C)[C@@]1(C)C[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001611642644 1056178780 /nfs/dbraw/zinc/17/87/80/1056178780.db2.gz YFXLYFXVNIQVOD-DZGCQCFKSA-N -1 3 316.228 4.393 20 30 DIEDHM CCCCN([O-])C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC001611658225 1056178867 /nfs/dbraw/zinc/17/88/67/1056178867.db2.gz ZULNEMUNIHJAIP-LLVKDONJSA-N -1 3 303.324 4.217 20 30 DIEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001584397891 1056335265 /nfs/dbraw/zinc/33/52/65/1056335265.db2.gz KKGOWIBVHTVSTN-WMLDXEAASA-N -1 3 301.430 4.380 20 30 DIEDHM N#Cc1c([N-]C(=O)c2ccc(Cl)o2)sc2c1CCCCC2 ZINC000060528358 1056467661 /nfs/dbraw/zinc/46/76/61/1056467661.db2.gz VOGHTAFRBWBHPG-UHFFFAOYSA-N -1 3 320.801 4.387 20 30 DIEDHM CC(C)(C)OC(=O)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001240439794 1056509961 /nfs/dbraw/zinc/50/99/61/1056509961.db2.gz CEWMZIBMKSDNHU-RGVLZGJSSA-N -1 3 315.344 4.256 20 30 DIEDHM CCCCCCCCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001617147000 1056784086 /nfs/dbraw/zinc/78/40/86/1056784086.db2.gz AQWNBRYHFSZUKV-UHFFFAOYSA-N -1 3 304.394 4.144 20 30 DIEDHM CSCc1c2ccccc2oc1C([O-])=C(C#N)c1ccccn1 ZINC000073971840 1057137972 /nfs/dbraw/zinc/13/79/72/1057137972.db2.gz VZSMCGOAHBNCOZ-ZDUSSCGKSA-N -1 3 322.389 4.181 20 30 DIEDHM N#Cc1cc(Nc2cccc([O-])c2F)ccc1N1CCCCC1 ZINC001212551500 1057363082 /nfs/dbraw/zinc/36/30/82/1057363082.db2.gz VQBJJYVLJTTWSR-UHFFFAOYSA-N -1 3 311.360 4.137 20 30 DIEDHM [O-]N=Cc1ccccc1-c1ccc2c(cnn2[C@H]2CCCCO2)c1 ZINC001242451975 1057372424 /nfs/dbraw/zinc/37/24/24/1057372424.db2.gz OTODOSYZMJSAPW-LJQANCHMSA-N -1 3 321.380 4.211 20 30 DIEDHM N#Cc1cc2c(nc1-c1cc([O-])cc(C(F)(F)F)c1)CCCC2 ZINC001242781318 1057473311 /nfs/dbraw/zinc/47/33/11/1057473311.db2.gz CXDXPZBMPIKQEQ-UHFFFAOYSA-N -1 3 318.298 4.223 20 30 DIEDHM CC[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1nc2ccccc2[nH]1 ZINC000727265744 1057645317 /nfs/dbraw/zinc/64/53/17/1057645317.db2.gz WQWMWROUUNPZAG-XTBHVRTMSA-N -1 3 313.788 4.492 20 30 DIEDHM O=C(C[C@@H]1C=CCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001119551080 1057711502 /nfs/dbraw/zinc/71/15/02/1057711502.db2.gz RWUKLWIGWHJSTR-SNVBAGLBSA-N -1 3 300.185 4.068 20 30 DIEDHM COc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1F ZINC000730590330 1057718207 /nfs/dbraw/zinc/71/82/07/1057718207.db2.gz MULLAQDGLCTNQI-MXFUOJGSSA-N -1 3 316.303 4.062 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccc(F)c1F ZINC000730729142 1057721517 /nfs/dbraw/zinc/72/15/17/1057721517.db2.gz FEUDQWULVRRBIR-VKHJRQFRSA-N -1 3 304.267 4.193 20 30 DIEDHM COc1cc(/C=C/C(=O)c2ccc(F)cc2C)cc(Cl)c1[O-] ZINC000731317627 1057741636 /nfs/dbraw/zinc/74/16/36/1057741636.db2.gz BNRGYUGFJIIIBA-ZZXKWVIFSA-N -1 3 320.747 4.398 20 30 DIEDHM COc1cc([O-])ccc1-c1cc(OC2CCC2)cc(F)c1C#N ZINC001243979728 1057828327 /nfs/dbraw/zinc/82/83/27/1057828327.db2.gz KDMGHPIPBNEZQH-UHFFFAOYSA-N -1 3 313.328 4.010 20 30 DIEDHM [O-]/N=C1/CCc2cc(-c3ccc(N4CCCC4)cc3F)ccc21 ZINC001244272310 1057919229 /nfs/dbraw/zinc/91/92/29/1057919229.db2.gz NMRUEOHLCXLKPR-VZCXRCSSSA-N -1 3 310.372 4.217 20 30 DIEDHM [O-]/N=C1/CCc2cc(-c3cc(OC(F)(F)F)ccc3O)ccc21 ZINC001244462480 1057965482 /nfs/dbraw/zinc/96/54/82/1057965482.db2.gz XEEAKBDVBOKHSM-ZHZULCJRSA-N -1 3 323.270 4.082 20 30 DIEDHM N#CC1(c2cccc(-c3ccc(Cl)cc3[O-])c2)CCOCC1 ZINC001244471324 1057968643 /nfs/dbraw/zinc/96/86/43/1057968643.db2.gz GCOMHPKPTDTKKN-UHFFFAOYSA-N -1 3 313.784 4.284 20 30 DIEDHM CSc1ccc(Cl)cc1[N-]C(=O)c1cscc1C#N ZINC001518717868 1058369478 /nfs/dbraw/zinc/36/94/78/1058369478.db2.gz IVKOOSGDYGGZNY-UHFFFAOYSA-N -1 3 308.815 4.247 20 30 DIEDHM Cc1ccc(C(=O)Nc2ccc(C3CC3)c(C#N)c2)c([O-])c1C ZINC001558118769 1058842689 /nfs/dbraw/zinc/84/26/89/1058842689.db2.gz PEQHUOPBFOITAG-UHFFFAOYSA-N -1 3 306.365 4.010 20 30 DIEDHM O=C(c1ccc(C2CC2)cc1)N([O-])Cc1ccccc1Cl ZINC001559033641 1058937990 /nfs/dbraw/zinc/93/79/90/1058937990.db2.gz QOMNNYANEGNSGD-UHFFFAOYSA-N -1 3 301.773 4.249 20 30 DIEDHM O=C(Cc1ccc(Cl)cc1)N([O-])CCCCc1ccccc1 ZINC001559034013 1058941281 /nfs/dbraw/zinc/94/12/81/1058941281.db2.gz JAUBWIWPIJVYSJ-UHFFFAOYSA-N -1 3 317.816 4.123 20 30 DIEDHM Cc1oc(C(C)C)nc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001559036452 1058941528 /nfs/dbraw/zinc/94/15/28/1058941528.db2.gz JJTPDIHFQQNATL-UHFFFAOYSA-N -1 3 324.380 4.291 20 30 DIEDHM C[C@@H](CC(=O)N([O-])Cc1cccc2ccccc21)c1ccncc1 ZINC001559036615 1058943766 /nfs/dbraw/zinc/94/37/66/1058943766.db2.gz QMHZPQBBMYSLEP-HNNXBMFYSA-N -1 3 320.392 4.146 20 30 DIEDHM CCOc1c(F)cc(Nc2cc(C#N)ccc2[O-])cc1Cl ZINC001250221214 1060701014 /nfs/dbraw/zinc/70/10/14/1060701014.db2.gz PDASNACHMGENJI-UHFFFAOYSA-N -1 3 306.724 4.199 20 30 DIEDHM C[C@H](C(=O)N([O-])CCCCc1ccccc1)c1cccc(F)c1 ZINC001457995854 1061534330 /nfs/dbraw/zinc/53/43/30/1061534330.db2.gz WYXVJOVTPALEFE-HNNXBMFYSA-N -1 3 315.388 4.170 20 30 DIEDHM CCCCCCN([O-])C(=O)COc1ccc(C(C)C)c(C)c1 ZINC001458006886 1061539199 /nfs/dbraw/zinc/53/91/99/1061539199.db2.gz BRNPDAHKYZVTMC-UHFFFAOYSA-N -1 3 307.434 4.295 20 30 DIEDHM CCCCCCN([O-])C(=O)CCC(=O)c1cc(C)ccc1C ZINC001458011188 1061539697 /nfs/dbraw/zinc/53/96/97/1061539697.db2.gz XLXUHYDEYIEFNF-UHFFFAOYSA-N -1 3 305.418 4.064 20 30 DIEDHM C[C@H]1C[C@@H](CC(=O)N([O-])Cc2ccc(F)cc2)CC(C)(C)C1 ZINC001458017529 1061541903 /nfs/dbraw/zinc/54/19/03/1061541903.db2.gz RLTIBFPZBHFGML-ZFWWWQNUSA-N -1 3 307.409 4.396 20 30 DIEDHM C=CC[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001470434487 1062779412 /nfs/dbraw/zinc/77/94/12/1062779412.db2.gz DWZZIOUURBZCNC-HNNXBMFYSA-N -1 3 323.392 4.223 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001472621240 1063108387 /nfs/dbraw/zinc/10/83/87/1063108387.db2.gz MKDIBEJVXVPRGT-MSOLQXFVSA-N -1 3 303.446 4.444 20 30 DIEDHM O=C(Cc1cccc(C2CC2)c1)N([O-])Cc1ccccc1Cl ZINC001472620340 1063108980 /nfs/dbraw/zinc/10/89/80/1063108980.db2.gz YAYXAHRPKBOBJF-UHFFFAOYSA-N -1 3 315.800 4.178 20 30 DIEDHM CCCCCCN([O-])C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC001472621307 1063109333 /nfs/dbraw/zinc/10/93/33/1063109333.db2.gz PBCXWFIMSWVLKW-AWEZNQCLSA-N -1 3 302.418 4.460 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC001472621222 1063109793 /nfs/dbraw/zinc/10/97/93/1063109793.db2.gz LQGMCWHYCWTDLG-MRXNPFEDSA-N -1 3 307.434 4.341 20 30 DIEDHM CCCCCCCCC[C@@H](C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001258231528 1063570899 /nfs/dbraw/zinc/57/08/99/1063570899.db2.gz QOBFDZKDZRTFKD-OAHLLOKOSA-N -1 3 307.415 4.063 20 30 DIEDHM CCCCCCN([O-])C(=O)COc1ccc(C(C)(C)C)cc1 ZINC001306896754 1065198684 /nfs/dbraw/zinc/19/86/84/1065198684.db2.gz KZXDNRJAAWLGLB-UHFFFAOYSA-N -1 3 307.434 4.161 20 30 DIEDHM O=C([C@H](c1ccccc1)C1CC1)N([O-])Cc1ccccc1Cl ZINC001306895337 1065198810 /nfs/dbraw/zinc/19/88/10/1065198810.db2.gz YLHLRBPECSLOEA-QGZVFWFLSA-N -1 3 315.800 4.252 20 30 DIEDHM C[C@H](Cc1ccc(F)cc1)C(=O)N([O-])Cc1ccccc1Cl ZINC001306894356 1065198890 /nfs/dbraw/zinc/19/88/90/1065198890.db2.gz KEMQEWUAWWVVHK-GFCCVEGCSA-N -1 3 321.779 4.076 20 30 DIEDHM CC[C@H](Cc1ccccc1)C(=O)N([O-])Cc1ccccc1Cl ZINC001306895377 1065199488 /nfs/dbraw/zinc/19/94/88/1065199488.db2.gz ZVPSOJDHTDRKJV-OAHLLOKOSA-N -1 3 317.816 4.327 20 30 DIEDHM CC[C@@H](C)n1nccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001306900113 1065201555 /nfs/dbraw/zinc/20/15/55/1065201555.db2.gz JLJPWJFTGFLVMD-CQSZACIVSA-N -1 3 323.396 4.039 20 30 DIEDHM CC(C)c1cc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)no1 ZINC000091208264 193018215 /nfs/dbraw/zinc/01/82/15/193018215.db2.gz HDKMZXCBCOCAJZ-UHFFFAOYSA-N -1 3 317.414 4.281 20 30 DIEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(-c2ccc(CC)cc2)o1 ZINC000417625478 335015826 /nfs/dbraw/zinc/01/58/26/335015826.db2.gz MJKGCZLMOZDHKF-MRXNPFEDSA-N -1 3 313.397 4.018 20 30 DIEDHM N#Cc1ccsc1[N-]C(=O)c1cc(F)c(Cl)cc1Cl ZINC000017344545 182083923 /nfs/dbraw/zinc/08/39/23/182083923.db2.gz QSHMLYQZKGUPEB-UHFFFAOYSA-N -1 3 315.156 4.318 20 30 DIEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cscn3)sc2[C@@H](C)C1 ZINC000297975103 132042713 /nfs/dbraw/zinc/04/27/13/132042713.db2.gz WSDICHQIXQSHAD-BDAKNGLRSA-N -1 3 317.439 4.014 20 30 DIEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cscn3)sc2[C@H](C)C1 ZINC000297975119 132042991 /nfs/dbraw/zinc/04/29/91/132042991.db2.gz WSDICHQIXQSHAD-RKDXNWHRSA-N -1 3 317.439 4.014 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2ccc(C(C)=O)s2)c1C#N ZINC000340711318 132171230 /nfs/dbraw/zinc/17/12/30/132171230.db2.gz XGRKNHBXFDHNCX-UHFFFAOYSA-N -1 3 318.423 4.007 20 30 DIEDHM CC(C)c1cc(C(=O)N2CCC(C#N)CC2)c([O-])c(C(C)C)c1 ZINC000194533556 335074480 /nfs/dbraw/zinc/07/44/80/335074480.db2.gz BXFMACXSMAWURC-UHFFFAOYSA-N -1 3 314.429 4.015 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2ccc(F)c(F)c2F)c1C#N ZINC000153502237 331900471 /nfs/dbraw/zinc/90/04/71/331900471.db2.gz KNHKSAXBQABHIC-UHFFFAOYSA-N -1 3 324.327 4.160 20 30 DIEDHM CC(C)c1cc(C(=O)N(C)[C@@H](C)CC#N)c([O-])c(C(C)C)c1 ZINC000094107651 332147634 /nfs/dbraw/zinc/14/76/34/332147634.db2.gz KKHLKJRVCLSHKY-ZDUSSCGKSA-N -1 3 302.418 4.013 20 30 DIEDHM C=C[C@@](C)(CCOC)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293339981 335104354 /nfs/dbraw/zinc/10/43/54/335104354.db2.gz DUDNSCGYHZBYDB-IBGZPJMESA-N -1 3 324.380 4.076 20 30 DIEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)ccc1[O-] ZINC000301750247 332575420 /nfs/dbraw/zinc/57/54/20/332575420.db2.gz QYXQPSWRAQUELO-UHFFFAOYSA-N -1 3 321.829 4.244 20 30 DIEDHM Cc1nsc([N-]C(=O)N(C)c2cccc(C(C)C)c2)c1C#N ZINC000569822821 332683243 /nfs/dbraw/zinc/68/32/43/332683243.db2.gz UTZWVNXANJITGT-UHFFFAOYSA-N -1 3 314.414 4.115 20 30 DIEDHM C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187801995 333238185 /nfs/dbraw/zinc/23/81/85/333238185.db2.gz VHIMIOARNZTQFY-MLGOLLRUSA-N -1 3 316.351 4.366 20 30 DIEDHM CCCc1nc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)co1 ZINC000410923316 333608551 /nfs/dbraw/zinc/60/85/51/333608551.db2.gz BPKXWVUJNZIQAT-UHFFFAOYSA-N -1 3 317.414 4.110 20 30 DIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3ccco3)c(C#N)c2[C@@H]1C ZINC000410981622 333616335 /nfs/dbraw/zinc/61/63/35/333616335.db2.gz HMHUECUMSHMSJX-NXEZZACHSA-N -1 3 300.383 4.151 20 30 DIEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ccc(C#N)s2)s1 ZINC000411004229 333616990 /nfs/dbraw/zinc/61/69/90/333616990.db2.gz CBAUDYPWCSXUIZ-UHFFFAOYSA-N -1 3 315.423 4.103 20 30 DIEDHM C[C@H]1Cc2sc([N-]C(=O)c3cncs3)c(C#N)c2[C@@H](C)C1 ZINC000411007297 333619959 /nfs/dbraw/zinc/61/99/59/333619959.db2.gz GCFNVOREEZBUOL-BDAKNGLRSA-N -1 3 317.439 4.014 20 30 DIEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2sccc2C#N)s1 ZINC000411008732 333620244 /nfs/dbraw/zinc/62/02/44/333620244.db2.gz UMCUAZSEPKBHEV-UHFFFAOYSA-N -1 3 315.423 4.103 20 30 DIEDHM N#CCCSc1ccccc1[N-]C(=O)c1sccc1F ZINC000340067434 334122150 /nfs/dbraw/zinc/12/21/50/334122150.db2.gz RQIBZPUYRSHUDN-UHFFFAOYSA-N -1 3 306.387 4.145 20 30 DIEDHM C=CCC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000343212831 334672611 /nfs/dbraw/zinc/67/26/11/334672611.db2.gz SWWFZOGTVHDDCN-KRWDZBQOSA-N -1 3 315.800 4.483 20 30 DIEDHM CCn1nc(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1C ZINC000330405412 334778976 /nfs/dbraw/zinc/77/89/76/334778976.db2.gz QCMXWEUPIJUGLV-UHFFFAOYSA-N -1 3 315.417 4.159 20 30 DIEDHM CC(C)(C)c1ccc(C(C)(C)NC(=O)c2csc(=O)[n-]2)cc1 ZINC000330986057 334828316 /nfs/dbraw/zinc/82/83/16/334828316.db2.gz IQFMSAFTGIOXCB-UHFFFAOYSA-N -1 3 318.442 4.386 20 30 DIEDHM CC1(C)CC[C@H](CNC(=O)c2csc(=O)[n-]2)c2ccccc21 ZINC000329969259 336101334 /nfs/dbraw/zinc/10/13/34/336101334.db2.gz XEXNVAQHNPXHAB-LLVKDONJSA-N -1 3 316.426 4.009 20 30 DIEDHM N#CC[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000356524681 336553148 /nfs/dbraw/zinc/55/31/48/336553148.db2.gz AZFILBQCLKZXIK-ZDUSSCGKSA-N -1 3 314.772 4.072 20 30 DIEDHM CCc1ccc([O-])c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000522815335 337078188 /nfs/dbraw/zinc/07/81/88/337078188.db2.gz VVMYPECJKYBNGC-UHFFFAOYSA-N -1 3 308.381 4.008 20 30 DIEDHM C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2n[n-]nc2c1 ZINC000188063828 337270297 /nfs/dbraw/zinc/27/02/97/337270297.db2.gz BXOVRYLLASRSIP-UHFFFAOYSA-N -1 3 320.396 4.062 20 30 DIEDHM Cc1ccc(-c2nc(C([O-])=C(C#N)c3ccccn3)cs2)cc1 ZINC000041493122 337402048 /nfs/dbraw/zinc/40/20/48/337402048.db2.gz UBBTXFPTBVVTHM-AWEZNQCLSA-N -1 3 319.389 4.004 20 30 DIEDHM Cc1ccc(C#N)cc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000515855370 337999097 /nfs/dbraw/zinc/99/90/97/337999097.db2.gz CZAYDYBCWWBLDX-UHFFFAOYSA-N -1 3 306.287 4.203 20 30 DIEDHM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(C)cc1[O-] ZINC000431280776 338127360 /nfs/dbraw/zinc/12/73/60/338127360.db2.gz PCADHAQLZDFUCL-UHFFFAOYSA-N -1 3 322.389 4.348 20 30 DIEDHM C=CC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436556617 338276906 /nfs/dbraw/zinc/27/69/06/338276906.db2.gz SKRLGUKFSXNWED-UHFFFAOYSA-N -1 3 321.420 4.021 20 30 DIEDHM C=C(C)CN(CC)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436736445 338284839 /nfs/dbraw/zinc/28/48/39/338284839.db2.gz GXIUYHQZUVGBTD-UHFFFAOYSA-N -1 3 311.381 4.223 20 30 DIEDHM C=CCCCCCN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469380883 339287404 /nfs/dbraw/zinc/28/74/04/339287404.db2.gz HOYBTPGFWLCPOM-UHFFFAOYSA-N -1 3 307.409 4.059 20 30 DIEDHM C=CCCS(=O)(=O)[N-]c1ccccc1SC1CCCC1 ZINC000472797498 339377678 /nfs/dbraw/zinc/37/76/78/339377678.db2.gz XZNGFKMUSPOYGD-UHFFFAOYSA-N -1 3 311.472 4.039 20 30 DIEDHM N#Cc1ccc(C2=CCN(Cc3cccc([O-])c3Cl)CC2)cc1 ZINC000509109132 340261568 /nfs/dbraw/zinc/26/15/68/340261568.db2.gz IPERALFXEDLDNC-UHFFFAOYSA-N -1 3 324.811 4.207 20 30 DIEDHM CCC(C)(C)c1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000511939506 340343372 /nfs/dbraw/zinc/34/33/72/340343372.db2.gz DBXCEXFXKFDHHV-KRWDZBQOSA-N -1 3 321.424 4.271 20 30 DIEDHM C=CC1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000577118132 341887413 /nfs/dbraw/zinc/88/74/13/341887413.db2.gz PSOYSZVTHRMNDC-AWEZNQCLSA-N -1 3 314.212 4.017 20 30 DIEDHM N#Cc1cc(Nc2cccc([O-])c2Br)ccc1Cl ZINC001174405327 1052161742 /nfs/dbraw/zinc/16/17/42/1052161742.db2.gz SMZJGONLZRQRAO-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM COc1cc(C(=O)/C=C/c2coc3ccccc23)c(OC)cc1[O-] ZINC000160254281 1035814811 /nfs/dbraw/zinc/81/48/11/1035814811.db2.gz PBZOLGRAVOMLRC-BQYQJAHWSA-N -1 3 324.332 4.052 20 30 DIEDHM C=CCCCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001625838903 1036123057 /nfs/dbraw/zinc/12/30/57/1036123057.db2.gz WRKADPZHNMDIPT-UHFFFAOYSA-N -1 3 323.436 4.264 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccccc2OC(F)(F)F)ccc1[O-] ZINC000728230714 1036152478 /nfs/dbraw/zinc/15/24/78/1036152478.db2.gz GBLZGKVAAQDQKK-TWGQIWQCSA-N -1 3 322.282 4.495 20 30 DIEDHM CCOc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)ccc1OC ZINC000728230733 1036155382 /nfs/dbraw/zinc/15/53/82/1036155382.db2.gz GVGBSOHPNOEMIF-VMPITWQZSA-N -1 3 312.365 4.004 20 30 DIEDHM C=CCOc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000728230685 1036161156 /nfs/dbraw/zinc/16/11/56/1036161156.db2.gz FHYYNLSEHUOBIF-YVMONPNESA-N -1 3 324.376 4.170 20 30 DIEDHM COc1ccc2oc(/C=C/C(=O)c3ccc([O-])c(OC)c3)cc2c1 ZINC000160377332 1036953445 /nfs/dbraw/zinc/95/34/45/1036953445.db2.gz ACBIEIVUOBSMHZ-QPJJXVBHSA-N -1 3 324.332 4.052 20 30 DIEDHM CC(=O)Nc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1C ZINC000255216504 1037209705 /nfs/dbraw/zinc/20/97/05/1037209705.db2.gz GWNQQWXPCCIKIB-UHFFFAOYSA-N -1 3 302.761 4.063 20 30 DIEDHM Cc1noc([N-]c2cc(Cl)cc(C(F)(F)F)c2F)c1C#N ZINC001215814153 1037660328 /nfs/dbraw/zinc/66/03/28/1037660328.db2.gz OKLJEAPOJVJPHW-UHFFFAOYSA-N -1 3 319.645 4.410 20 30 DIEDHM C=C[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000535420657 1039206789 /nfs/dbraw/zinc/20/67/89/1039206789.db2.gz CIVFPKBZPLPFQJ-GFCCVEGCSA-N -1 3 301.773 4.344 20 30 DIEDHM CCc1cccc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000094039121 1039908310 /nfs/dbraw/zinc/90/83/10/1039908310.db2.gz OZXUESFMVGLZSF-CQSZACIVSA-N -1 3 322.408 4.050 20 30 DIEDHM N#CC(=C([O-])c1cc2ccsc2[nH]1)c1nc(C2CC2)cs1 ZINC000647375069 1040356153 /nfs/dbraw/zinc/35/61/53/1040356153.db2.gz RBOHXZBAZZQSDV-JTQLQIEISA-N -1 3 313.407 4.053 20 30 DIEDHM [O-]/N=C/c1cccc(N[C@@H](Cc2ccccc2)c2nccs2)c1 ZINC001170660729 1041594442 /nfs/dbraw/zinc/59/44/42/1041594442.db2.gz IGGRFTWGJKRSFE-NNIWKIFQSA-N -1 3 323.421 4.347 20 30 DIEDHM CC(C)c1nc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cs1 ZINC000812243485 1041607448 /nfs/dbraw/zinc/60/74/48/1041607448.db2.gz NFPACKQCHDQSIH-HWKANZROSA-N -1 3 309.337 4.146 20 30 DIEDHM CCOc1cc(C=NNc2ccccc2F)cc(Cl)c1[O-] ZINC000812459479 1041624029 /nfs/dbraw/zinc/62/40/29/1041624029.db2.gz BAVKMWRNNITTQG-UHFFFAOYSA-N -1 3 308.740 4.029 20 30 DIEDHM N#CC(=C([O-])C=CC1CCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813213589 1041680643 /nfs/dbraw/zinc/68/06/43/1041680643.db2.gz NZZOXVIXKYZFBP-LMVHVUTASA-N -1 3 322.330 4.413 20 30 DIEDHM C=C(C)CN(CC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110076737 1042394734 /nfs/dbraw/zinc/39/47/34/1042394734.db2.gz KEEOLCJHOZQTQU-UHFFFAOYSA-N -1 3 309.409 4.021 20 30 DIEDHM N#CC(=C([O-])c1ccc2ccccc2n1)c1ccc2ccccc2n1 ZINC000047376053 1042477235 /nfs/dbraw/zinc/47/72/35/1042477235.db2.gz DGESVPKPNIYRGG-MRXNPFEDSA-N -1 3 323.355 4.273 20 30 DIEDHM CC(C)(C)c1cc([N-]C(=O)c2coc(C3CC3)n2)c(C#N)s1 ZINC000614420507 1042495124 /nfs/dbraw/zinc/49/51/24/1042495124.db2.gz XKVIZXHMIVGCNB-UHFFFAOYSA-N -1 3 315.398 4.035 20 30 DIEDHM CCc1nc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)co1 ZINC000330838896 1043101701 /nfs/dbraw/zinc/10/17/01/1043101701.db2.gz MQLOUZCWXPHKNP-UHFFFAOYSA-N -1 3 303.387 4.104 20 30 DIEDHM Cc1ccccc1-n1nccc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000794933959 1043229265 /nfs/dbraw/zinc/22/92/65/1043229265.db2.gz DAJZIGDIUIZAHJ-NTMALXAHSA-N -1 3 318.376 4.091 20 30 DIEDHM O=C1c2cc(F)ccc2CC/C1=C\c1c(F)ccc([O-])c1F ZINC000794945564 1043245201 /nfs/dbraw/zinc/24/52/01/1043245201.db2.gz IMDKDHOXGVSHAO-JXMROGBWSA-N -1 3 304.267 4.022 20 30 DIEDHM COc1cc(C(=O)/C=C/c2cc3ccccc3o2)c(OC)cc1[O-] ZINC000122514848 1043309726 /nfs/dbraw/zinc/30/97/26/1043309726.db2.gz UEIISFJLPORDGP-BQYQJAHWSA-N -1 3 324.332 4.052 20 30 DIEDHM CC[C@H](NCc1nc(C(C)C)cs1)c1cccc(C#N)c1[O-] ZINC000925283250 1043406104 /nfs/dbraw/zinc/40/61/04/1043406104.db2.gz OQORMXSSRCJIDV-AWEZNQCLSA-N -1 3 315.442 4.085 20 30 DIEDHM C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1cccc([O-])c1F ZINC000872083687 1043454028 /nfs/dbraw/zinc/45/40/28/1043454028.db2.gz DSCXTLLVSBGONY-ZDUSSCGKSA-N -1 3 310.372 4.133 20 30 DIEDHM Cc1oc(C(C)C)cc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000353900527 1043654198 /nfs/dbraw/zinc/65/41/98/1043654198.db2.gz ONZBPHYKWWFBIT-CQSZACIVSA-N -1 3 321.380 4.386 20 30 DIEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)sc2cccc(F)c12 ZINC000041493191 1044494531 /nfs/dbraw/zinc/49/45/31/1044494531.db2.gz NOZPQGFUSSILOG-LLVKDONJSA-N -1 3 310.353 4.234 20 30 DIEDHM Cc1csc(C(C#N)=C([O-])c2cccc3c2CCCCC3)n1 ZINC001122395241 1045564750 /nfs/dbraw/zinc/56/47/50/1045564750.db2.gz PGKCGKHCHINRLW-MRXNPFEDSA-N -1 3 310.422 4.211 20 30 DIEDHM N#CC(=C([O-])c1ccc2ccccc2c1)c1cnc2ccccc2n1 ZINC000190909757 1045631204 /nfs/dbraw/zinc/63/12/04/1045631204.db2.gz LUZIZPLGELRFPO-QGZVFWFLSA-N -1 3 323.355 4.273 20 30 DIEDHM C[C@@H]1CCC(N=Nc2nc3ccccc3c(=O)[n-]2)c2ccccc21 ZINC000752735796 1045701191 /nfs/dbraw/zinc/70/11/91/1045701191.db2.gz WGNBOBOBZIQBNA-GFCCVEGCSA-N -1 3 318.380 4.049 20 30 DIEDHM CCCCS[C@@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369970 1045709863 /nfs/dbraw/zinc/70/98/63/1045709863.db2.gz MTRGFILAASBXDB-AWEZNQCLSA-N -1 3 317.454 4.479 20 30 DIEDHM O=C(CC[C@H]1CCc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901371883 1045711617 /nfs/dbraw/zinc/71/16/17/1045711617.db2.gz JWWISXNINGCRBI-MRXNPFEDSA-N -1 3 313.372 4.054 20 30 DIEDHM O=C([C@@H]1C[C@H]1c1ccsc1)N([O-])Cc1cccc2ccccc21 ZINC000901372509 1045712134 /nfs/dbraw/zinc/71/21/34/1045712134.db2.gz FJPFIQLZABLPRA-ZWKOTPCHSA-N -1 3 323.417 4.423 20 30 DIEDHM O=C(CC1CC(c2ccccc2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901372225 1045712349 /nfs/dbraw/zinc/71/23/49/1045712349.db2.gz ADWMWFASWQQBNV-UHFFFAOYSA-N -1 3 313.372 4.127 20 30 DIEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000901372002 1045712501 /nfs/dbraw/zinc/71/25/01/1045712501.db2.gz MISXTKYPLOJHPF-LLVKDONJSA-N -1 3 307.752 4.001 20 30 DIEDHM C[C@@H](Cc1ccco1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371259 1045712762 /nfs/dbraw/zinc/71/27/62/1045712762.db2.gz PUNYAEYKTQHETL-AWEZNQCLSA-N -1 3 309.365 4.029 20 30 DIEDHM CCCc1occc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370625 1045713165 /nfs/dbraw/zinc/71/31/65/1045713165.db2.gz BJXJNQWFBNGGCH-UHFFFAOYSA-N -1 3 309.365 4.417 20 30 DIEDHM O=C(c1ccc(Cl)o1)N([O-])Cc1cccc2ccccc21 ZINC000901371070 1045713415 /nfs/dbraw/zinc/71/34/15/1045713415.db2.gz QRRHVFJHYGPBMK-UHFFFAOYSA-N -1 3 301.729 4.118 20 30 DIEDHM O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N([O-])Cc1cccc2ccccc21 ZINC000901371055 1045713437 /nfs/dbraw/zinc/71/34/37/1045713437.db2.gz LJOSREIISSSVFE-SIXWZSSISA-N -1 3 307.393 4.160 20 30 DIEDHM O=C(C1CCC=CCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380053 1045717849 /nfs/dbraw/zinc/71/78/49/1045717849.db2.gz LTTBJCJMAVBDPH-UHFFFAOYSA-N -1 3 314.212 4.458 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cnc(C3CCC3)s2)cc(O)c1[O-] ZINC000901526436 1045756866 /nfs/dbraw/zinc/75/68/66/1045756866.db2.gz WBVCIFLOIKCABL-WAYWQWQTSA-N -1 3 315.394 4.026 20 30 DIEDHM COc1ccc(F)c(N=Cc2cc(Br)ccc2[O-])c1 ZINC000755031664 1045947769 /nfs/dbraw/zinc/94/77/69/1045947769.db2.gz LTJBPJINMYMSIF-UHFFFAOYSA-N -1 3 324.149 4.053 20 30 DIEDHM Cc1nc2c(s1)[C@H](/N=C/c1cc(Cl)ccc1[O-])CCC2 ZINC000779706625 1045984803 /nfs/dbraw/zinc/98/48/03/1045984803.db2.gz INIWVTORSQVDSK-VQGSWFTOSA-N -1 3 306.818 4.307 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1nc(Cl)cs1 ZINC000759075721 1046317022 /nfs/dbraw/zinc/31/70/22/1046317022.db2.gz IVDZYMXSYFYHDU-LTYDNXFVSA-N -1 3 309.749 4.025 20 30 DIEDHM COc1cc(C(=O)/C=C\c2ccc(Cl)cc2F)ccc1[O-] ZINC000782200351 1046502414 /nfs/dbraw/zinc/50/24/14/1046502414.db2.gz LNCKBCMWPKWRCT-UTCJRWHESA-N -1 3 306.720 4.089 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc2cnccc2c1 ZINC000782324308 1046518540 /nfs/dbraw/zinc/51/85/40/1046518540.db2.gz YWQVONRIFFDDTI-ZRRZQRFHSA-N -1 3 319.335 4.463 20 30 DIEDHM C[C@@]1(C#N)CCCN(Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000784013493 1046650732 /nfs/dbraw/zinc/65/07/32/1046650732.db2.gz JCNZMVRSSJVRLK-FQEVSTJZSA-N -1 3 320.392 4.417 20 30 DIEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1c(C)cc(C)cc1[O-] ZINC000799877461 1047063992 /nfs/dbraw/zinc/06/39/92/1047063992.db2.gz BAKCMIRNXWNOMT-UHFFFAOYSA-N -1 3 313.357 4.062 20 30 DIEDHM C=CCCN(Cc1ccccc1)Cc1c([O-])c(F)ccc1F ZINC001139682927 1047070025 /nfs/dbraw/zinc/07/00/25/1047070025.db2.gz FKXRISKQJXGEEO-UHFFFAOYSA-N -1 3 303.352 4.249 20 30 DIEDHM CC(=NNc1cccc(Br)c1)c1cc(F)ccc1[O-] ZINC000839411684 1047225973 /nfs/dbraw/zinc/22/59/73/1047225973.db2.gz IQBDDXSUNYCINC-UHFFFAOYSA-N -1 3 323.165 4.130 20 30 DIEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(CC)cc1[O-] ZINC001156734585 1047721313 /nfs/dbraw/zinc/72/13/13/1047721313.db2.gz ACAVHHRRXGYYHF-UHFFFAOYSA-N -1 3 309.409 4.173 20 30 DIEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001184314800 1048022362 /nfs/dbraw/zinc/02/23/62/1048022362.db2.gz LBXKTVJEEUHFHM-QWHCGFSZSA-N -1 3 302.201 4.115 20 30 DIEDHM CC(C)(C(=O)N([O-])Cc1ccccc1Cl)c1cccc(F)c1 ZINC001184283393 1048025266 /nfs/dbraw/zinc/02/52/66/1048025266.db2.gz IDPCZVQPPDYZDX-UHFFFAOYSA-N -1 3 321.779 4.175 20 30 DIEDHM Cc1ccc(Cl)cc1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283391 1048025927 /nfs/dbraw/zinc/02/59/27/1048025927.db2.gz IBORFVLSPVFOHN-UHFFFAOYSA-N -1 3 310.180 4.333 20 30 DIEDHM Cc1ccc(CCC(=O)N([O-])CCCCc2ccccc2)s1 ZINC001184293015 1048026111 /nfs/dbraw/zinc/02/61/11/1048026111.db2.gz BFLFKOBYNJIKIF-UHFFFAOYSA-N -1 3 317.454 4.230 20 30 DIEDHM O=C([C@@H]1CCCC(F)(F)C1)N([O-])Cc1cccc2ccccc21 ZINC001184341466 1048031641 /nfs/dbraw/zinc/03/16/41/1048031641.db2.gz ZOZHHIURVCXFAH-CQSZACIVSA-N -1 3 319.351 4.383 20 30 DIEDHM Cc1noc(C2CC2)c1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001184340927 1048033423 /nfs/dbraw/zinc/03/34/23/1048033423.db2.gz UBHUOMNTECQCKZ-UHFFFAOYSA-N -1 3 322.364 4.045 20 30 DIEDHM CCCCCCN([O-])C(=O)CSCc1cccc(Cl)c1 ZINC001161819379 1048177670 /nfs/dbraw/zinc/17/76/70/1048177670.db2.gz RDUSOTNTOAHTBI-UHFFFAOYSA-N -1 3 315.866 4.371 20 30 DIEDHM O=C(c1ccccc1C(F)F)N([O-])Cc1ccccc1Cl ZINC001161807099 1048173433 /nfs/dbraw/zinc/17/34/33/1048173433.db2.gz BWFHADKEOAZCGJ-UHFFFAOYSA-N -1 3 311.715 4.309 20 30 DIEDHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)c1cccc(F)c1 ZINC001161808086 1048175015 /nfs/dbraw/zinc/17/50/15/1048175015.db2.gz VWQBZUZVVUJJIC-NSHDSACASA-N -1 3 307.752 4.001 20 30 DIEDHM O=C(c1ccc(C(F)F)cc1)N([O-])Cc1ccccc1Cl ZINC001161808080 1048175605 /nfs/dbraw/zinc/17/56/05/1048175605.db2.gz VSOZFAVMVZHLAV-UHFFFAOYSA-N -1 3 311.715 4.309 20 30 DIEDHM CCCCCCN([O-])C(=O)c1c(C)onc1-c1ccccc1C ZINC001161826437 1048178587 /nfs/dbraw/zinc/17/85/87/1048178587.db2.gz ABVIKTZXLPOFBU-UHFFFAOYSA-N -1 3 316.401 4.370 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC001161826482 1048178747 /nfs/dbraw/zinc/17/87/47/1048178747.db2.gz BLUTYFMEXKTPIC-AWEZNQCLSA-N -1 3 302.418 4.080 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001161826487 1048179502 /nfs/dbraw/zinc/17/95/02/1048179502.db2.gz BVXYRFDPWLFSNZ-HOAMVYINSA-N -1 3 321.383 4.399 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC001161826741 1048180356 /nfs/dbraw/zinc/18/03/56/1048180356.db2.gz KWERSYWEAXIECK-OAHLLOKOSA-N -1 3 319.445 4.427 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1cccc(Cl)c1OCC ZINC001161826828 1048181296 /nfs/dbraw/zinc/18/12/96/1048181296.db2.gz MNZCDJRNLOHBJZ-UHFFFAOYSA-N -1 3 313.825 4.079 20 30 DIEDHM O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N([O-])Cc1ccc(F)cc1 ZINC001161848339 1048186164 /nfs/dbraw/zinc/18/61/64/1048186164.db2.gz AWSXWUOAFNOOSJ-DJIMGWMZSA-N -1 3 305.393 4.150 20 30 DIEDHM CCCCc1ccc(NC(=O)Nc2ccc([O-])cc2C#N)cc1 ZINC001187741876 1048439150 /nfs/dbraw/zinc/43/91/50/1048439150.db2.gz FZJPEDAPZJQTCV-UHFFFAOYSA-N -1 3 309.369 4.250 20 30 DIEDHM CC(C)(C)c1noc([N-]c2cnn(C3CCCCC3)c2)c1C#N ZINC001175880458 1048469058 /nfs/dbraw/zinc/46/90/58/1048469058.db2.gz AADQPTOPQXGXLI-UHFFFAOYSA-N -1 3 313.405 4.289 20 30 DIEDHM N#CC1(CNCc2cc(Cl)cc(Cl)c2[O-])CCCCC1 ZINC000850390450 1048646748 /nfs/dbraw/zinc/64/67/48/1048646748.db2.gz HSJRHUIAQFXSGT-UHFFFAOYSA-N -1 3 313.228 4.263 20 30 DIEDHM C=CCC1(S(=O)(=O)[N-]c2ccccc2-c2ccc(C)o2)CC1 ZINC001190813644 1048796750 /nfs/dbraw/zinc/79/67/50/1048796750.db2.gz LNRGOZUOTBPZRT-UHFFFAOYSA-N -1 3 317.410 4.105 20 30 DIEDHM C=CC[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000855436777 1049033890 /nfs/dbraw/zinc/03/38/90/1049033890.db2.gz KLUVCFRHPGJTMP-LBPRGKRZSA-N -1 3 301.411 4.035 20 30 DIEDHM C=CCCCCCN(C)Cc1cccc([O-])c1Br ZINC001180199420 1049317242 /nfs/dbraw/zinc/31/72/42/1049317242.db2.gz SROJFAAIFORWLH-UHFFFAOYSA-N -1 3 312.251 4.333 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000815605948 1049321770 /nfs/dbraw/zinc/32/17/70/1049321770.db2.gz JQGPOQZZBLMAAU-NSHDSACASA-N -1 3 320.166 4.308 20 30 DIEDHM C=CCSc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000486720175 1049460136 /nfs/dbraw/zinc/46/01/36/1049460136.db2.gz JGCGPCQSAVODGY-UHFFFAOYSA-N -1 3 303.358 4.062 20 30 DIEDHM N#Cc1ccccc1NC(=S)Nc1c([O-])ccc2ccccc21 ZINC001196322744 1049642464 /nfs/dbraw/zinc/64/24/64/1049642464.db2.gz UIGCSDSRGAHFED-UHFFFAOYSA-N -1 3 319.389 4.226 20 30 DIEDHM COc1cc(C(=O)/C=C/c2ccc3occc3c2)c(OC)cc1[O-] ZINC000794702087 1049672672 /nfs/dbraw/zinc/67/26/72/1049672672.db2.gz MUCBINKCYHBZKZ-HWKANZROSA-N -1 3 324.332 4.052 20 30 DIEDHM [O-]N=Cc1ccccc1-c1ccc2cnn([C@@H]3CCCCO3)c2c1 ZINC001206703158 1049782008 /nfs/dbraw/zinc/78/20/08/1049782008.db2.gz CLLCIMOWSUFESR-IBGZPJMESA-N -1 3 321.380 4.211 20 30 DIEDHM CC(C)c1csc(C(C#N)=C([O-])c2cc3ccccc3n2C)n1 ZINC000080456850 1049992921 /nfs/dbraw/zinc/99/29/21/1049992921.db2.gz FTEKQDCNPGOQJY-CYBMUJFWSA-N -1 3 323.421 4.248 20 30 DIEDHM COc1ccc(C#N)c(Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001209986302 1050117673 /nfs/dbraw/zinc/11/76/73/1050117673.db2.gz XOXJSCHMHYIQKU-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM C[C@H]1CCc2sc([N-]C(=O)c3nccs3)c(C#N)c2[C@H]1C ZINC000591004355 1050118010 /nfs/dbraw/zinc/11/80/10/1050118010.db2.gz BVNOMSIVZYRXTJ-IUCAKERBSA-N -1 3 317.439 4.014 20 30 DIEDHM COc1cccc(Nc2cccc(C(F)(F)F)c2[O-])c1C#N ZINC001210127791 1050140869 /nfs/dbraw/zinc/14/08/69/1050140869.db2.gz NNDXSUPSKKODTI-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM COc1cc(/C=C\C(=O)c2sccc2C)cc(Cl)c1[O-] ZINC000733749615 1050151598 /nfs/dbraw/zinc/15/15/98/1050151598.db2.gz QCGXWGHJBOCZFM-ARJAWSKDSA-N -1 3 308.786 4.320 20 30 DIEDHM N#Cc1ccc(-c2csc(Nc3cccc(F)c3[O-])n2)s1 ZINC001210197117 1050155621 /nfs/dbraw/zinc/15/56/21/1050155621.db2.gz PWBQYILELDVZSS-UHFFFAOYSA-N -1 3 317.370 4.332 20 30 DIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1sccc1C1CC1 ZINC000591861970 1050235864 /nfs/dbraw/zinc/23/58/64/1050235864.db2.gz GBLDGUYIXFJXHY-ZDUSSCGKSA-N -1 3 321.405 4.002 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCCN(c2ccccc2)C1 ZINC000734303465 1050244582 /nfs/dbraw/zinc/24/45/82/1050244582.db2.gz QJOUHAOCYNYRCQ-DEFALTHMSA-N -1 3 314.816 4.134 20 30 DIEDHM COc1cc(C(=O)/C=C/c2cscc2Cl)c(OC)cc1[O-] ZINC000771862067 1050284784 /nfs/dbraw/zinc/28/47/84/1050284784.db2.gz YDCIDIZIUVICJJ-ONEGZZNKSA-N -1 3 324.785 4.020 20 30 DIEDHM N#Cc1cc(Nc2c(F)cccc2OC2CCCC2)ccc1[O-] ZINC001210534820 1050286266 /nfs/dbraw/zinc/28/62/66/1050286266.db2.gz SNUUUWCMAPXXPI-UHFFFAOYSA-N -1 3 312.344 4.468 20 30 DIEDHM N#Cc1cc(Cl)cc(Nc2cccc([O-])c2Br)c1 ZINC001210540260 1050288868 /nfs/dbraw/zinc/28/88/68/1050288868.db2.gz VVPVBFABLLHANI-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM Cc1ccc(Nc2cc(Br)cc(F)c2[O-])c(C#N)c1 ZINC001210568374 1050298415 /nfs/dbraw/zinc/29/84/15/1050298415.db2.gz IHIVEJQLLOEDDO-UHFFFAOYSA-N -1 3 321.149 4.218 20 30 DIEDHM N#Cc1ncc(Cl)cc1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210823829 1050380418 /nfs/dbraw/zinc/38/04/18/1050380418.db2.gz HGENWKYNLPIELF-UHFFFAOYSA-N -1 3 313.666 4.075 20 30 DIEDHM COC(=O)c1cc(Cl)cc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000735978814 1050438665 /nfs/dbraw/zinc/43/86/65/1050438665.db2.gz LIRNMXFKBQSUGL-UHFFFAOYSA-N -1 3 324.163 4.236 20 30 DIEDHM N#Cc1ccc(-c2csc(Nc3ccc(F)c([O-])c3)n2)s1 ZINC001211216690 1050520980 /nfs/dbraw/zinc/52/09/80/1050520980.db2.gz MPXYFZMGCACVLN-UHFFFAOYSA-N -1 3 317.370 4.332 20 30 DIEDHM COc1cccc(F)c1[C@@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000741844812 1050753016 /nfs/dbraw/zinc/75/30/16/1050753016.db2.gz QHSFTZWROMTFTH-DWOMLUCJSA-N -1 3 307.752 4.373 20 30 DIEDHM COc1cc(C(=O)/C=C/c2cc3cc(F)ccc3o2)ccc1[O-] ZINC000741851895 1050755238 /nfs/dbraw/zinc/75/52/38/1050755238.db2.gz HLJRWRUIKSBPEK-GQCTYLIASA-N -1 3 312.296 4.182 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1nc2ccccc2s1 ZINC000743340561 1051012625 /nfs/dbraw/zinc/01/26/25/1051012625.db2.gz HEYUCHAZYHHCQL-ZDLGFXPLSA-N -1 3 316.813 4.317 20 30 DIEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nccc2ccccc21 ZINC000792105966 1051116726 /nfs/dbraw/zinc/11/67/26/1051116726.db2.gz OPFQADNTHPXDGY-BLGFXRMMSA-N -1 3 316.335 4.264 20 30 DIEDHM C#CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000792274661 1051131975 /nfs/dbraw/zinc/13/19/75/1051131975.db2.gz HFNOIBTZMWIYCQ-IBGZPJMESA-N -1 3 315.372 4.040 20 30 DIEDHM Cc1ccc(F)c(Nc2cc(C#N)cc(C(F)(F)F)c2)c1[O-] ZINC001215741284 1051335507 /nfs/dbraw/zinc/33/55/07/1051335507.db2.gz HVLGLEGCLMZXLS-UHFFFAOYSA-N -1 3 310.250 4.474 20 30 DIEDHM N#Cc1c(Cl)cccc1Nc1cc([O-])ccc1Br ZINC001216127402 1051592011 /nfs/dbraw/zinc/59/20/11/1051592011.db2.gz OKRLZJUHBSLBRL-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2cn(C)nc2-c2cccs2)ccc1[O-] ZINC000769609134 1052086673 /nfs/dbraw/zinc/08/66/73/1052086673.db2.gz GOYCPHBKMMLOJZ-SOFGYWHQSA-N -1 3 324.405 4.059 20 30 DIEDHM [O-]c1c(O)ccc(C=Nc2ccc(-c3ccccc3)cc2F)c1O ZINC000914702094 1052220830 /nfs/dbraw/zinc/22/08/30/1052220830.db2.gz WLDWXRPBKLMVJK-UHFFFAOYSA-N -1 3 323.323 4.360 20 30 DIEDHM Cc1nc(-c2ccccc2)c(C([O-])=C(C#N)c2ccccn2)s1 ZINC000193252766 1052281684 /nfs/dbraw/zinc/28/16/84/1052281684.db2.gz NEVKXNBYSXBXPF-CQSZACIVSA-N -1 3 319.389 4.004 20 30 DIEDHM COc1ccc2oc(/C=C\C(=O)c3ccc([O-])c(C)c3)cc2c1 ZINC000763288750 1052556047 /nfs/dbraw/zinc/55/60/47/1052556047.db2.gz AMZWWTKQIJBAII-DAXSKMNVSA-N -1 3 308.333 4.352 20 30 DIEDHM COc1ccc([C@@H](C)/N=C\c2cc(Cl)ccc2[O-])cc1OC ZINC000915982845 1052574166 /nfs/dbraw/zinc/57/41/66/1052574166.db2.gz FFUNBICKCDHIJN-XEQXHXIFSA-N -1 3 319.788 4.243 20 30 DIEDHM CC1(C)Oc2ccc(N=Cc3cc(Cl)ccc3[O-])cc2O1 ZINC000915983158 1052575618 /nfs/dbraw/zinc/57/56/18/1052575618.db2.gz RITYCUXVTGMWTI-UHFFFAOYSA-N -1 3 303.745 4.304 20 30 DIEDHM [O-]/N=C(\O[C@@H]1CCC=CCCC1)c1ccccc1Br ZINC001223884854 1052646786 /nfs/dbraw/zinc/64/67/86/1052646786.db2.gz SFOIIROALCTWQQ-DCIAHWANSA-N -1 3 324.218 4.490 20 30 DIEDHM C=CC[C@@H](CCC)O/C(=N\[O-])c1ccccc1Br ZINC001223884484 1052647163 /nfs/dbraw/zinc/64/71/63/1052647163.db2.gz LAKACJFGPRLXFJ-NLPIWRNCSA-N -1 3 312.207 4.346 20 30 DIEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2cccc3ccccc32)[n-]1 ZINC001225466936 1052792513 /nfs/dbraw/zinc/79/25/13/1052792513.db2.gz INXGCDIMOHSPNG-ZDUSSCGKSA-N -1 3 304.349 4.261 20 30 DIEDHM N#CC(=C([O-])C=C1CCCC1)c1nc2ccccc2n1C(F)F ZINC000918493057 1052802357 /nfs/dbraw/zinc/80/23/57/1052802357.db2.gz ZSWUTFSCXAYVLH-LBPRGKRZSA-N -1 3 315.323 4.108 20 30 DIEDHM [O-]/N=C/c1cccc(O[C@@H]2CC[C@H](OCc3ccccc3)C2)c1 ZINC001226115953 1052869990 /nfs/dbraw/zinc/86/99/90/1052869990.db2.gz LDHGBURSALPYAS-WMXHQWKFSA-N -1 3 311.381 4.011 20 30 DIEDHM C=CC[C@H](CCCC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531584 1052907506 /nfs/dbraw/zinc/90/75/06/1052907506.db2.gz DFDYEMAAZJCTJP-CYBMUJFWSA-N -1 3 302.370 4.321 20 30 DIEDHM C=C(C)C[C@H](Oc1cc2c(C)cc(=O)oc2cc1[O-])C(=C)C ZINC001226532555 1052907853 /nfs/dbraw/zinc/90/78/53/1052907853.db2.gz SUBUNBFFVDEXFA-HNNXBMFYSA-N -1 3 300.354 4.097 20 30 DIEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226597943 1052914087 /nfs/dbraw/zinc/91/40/87/1052914087.db2.gz YQUFHCHCMXFMRP-HOCLYGCPSA-N -1 3 312.365 4.178 20 30 DIEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598543 1052914292 /nfs/dbraw/zinc/91/42/92/1052914292.db2.gz DSCZRGOHMMPRQT-IVMMDQJWSA-N -1 3 314.381 4.258 20 30 DIEDHM C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])COCc1ccccc1 ZINC000920174525 1052926336 /nfs/dbraw/zinc/92/63/36/1052926336.db2.gz OCMFHVDPYKFGOW-HXJASHHUSA-N -1 3 317.816 4.317 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1nc2ccccc2s1 ZINC000920944036 1052956089 /nfs/dbraw/zinc/95/60/89/1052956089.db2.gz NVRFJLDDGLCQFK-IUXPMGMMSA-N -1 3 302.786 4.274 20 30 DIEDHM Cc1cc(COc2cc(C#N)ccc2[O-])cc(C)c1OC(C)C ZINC001227349372 1052983621 /nfs/dbraw/zinc/98/36/21/1052983621.db2.gz HEEPTXNWMGYPEV-UHFFFAOYSA-N -1 3 311.381 4.247 20 30 DIEDHM C=CCOc1ccccc1[C@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227982677 1053033392 /nfs/dbraw/zinc/03/33/92/1053033392.db2.gz GPGHPXJIOCXRNL-NSHDSACASA-N -1 3 305.761 4.145 20 30 DIEDHM C=C[C@H](C#CC(C)(C)C)Oc1cccc([O-])c1Br ZINC001229140821 1053257166 /nfs/dbraw/zinc/25/71/66/1053257166.db2.gz FYPJFUVWZQENRO-LLVKDONJSA-N -1 3 309.203 4.138 20 30 DIEDHM C=CC[C@@H](CCCC)Oc1cc(O)cc([O-])c1Br ZINC001229097097 1053247028 /nfs/dbraw/zinc/24/70/28/1053247028.db2.gz PEEITWQKJMQNOU-NSHDSACASA-N -1 3 315.207 4.374 20 30 DIEDHM C[C@@H](CC(C)(C)S)Oc1cccc([O-])c1Br ZINC001229143911 1053257322 /nfs/dbraw/zinc/25/73/22/1053257322.db2.gz YJPJJXPMSJQOEN-QMMMGPOBSA-N -1 3 305.237 4.021 20 30 DIEDHM Cc1csc2[n-]c(=S)nc(O[C@@H](C)CC(C)(C)S)c12 ZINC001229351897 1053304322 /nfs/dbraw/zinc/30/43/22/1053304322.db2.gz DHGKGFPGHZIKMN-QMMMGPOBSA-N -1 3 314.501 4.154 20 30 DIEDHM C=CC[C@@H](C)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229808611 1053407109 /nfs/dbraw/zinc/40/71/09/1053407109.db2.gz UJDBODVFHBCMLV-GFCCVEGCSA-N -1 3 314.381 4.408 20 30 DIEDHM C=C[C@@H](C)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229807183 1053407446 /nfs/dbraw/zinc/40/74/46/1053407446.db2.gz GGPKISHMEVIDOJ-LLVKDONJSA-N -1 3 300.354 4.018 20 30 DIEDHM CSc1ccccc1C(=O)/C=C/c1c(F)ccc([O-])c1F ZINC001321668887 1053428187 /nfs/dbraw/zinc/42/81/87/1053428187.db2.gz XOAKRXHVTHJWME-SOFGYWHQSA-N -1 3 306.333 4.288 20 30 DIEDHM O=C1CCCC[C@@H]1Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229937262 1053433690 /nfs/dbraw/zinc/43/36/90/1053433690.db2.gz KGEBIJNMDZLWRL-XAJRUKRBSA-N -1 3 309.365 4.033 20 30 DIEDHM CCC(=O)[C@H](CC)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934826 1053434670 /nfs/dbraw/zinc/43/46/70/1053434670.db2.gz FPQGMTWZPCGDBL-ACRNLXFHSA-N -1 3 311.381 4.279 20 30 DIEDHM C[C@@H](Oc1ccccc1/C=N/c1ccccc1[O-])c1cnccn1 ZINC001229934624 1053434966 /nfs/dbraw/zinc/43/49/66/1053434966.db2.gz FEESSZJOKHXKEU-LVCXCXRVSA-N -1 3 319.364 4.073 20 30 DIEDHM [O-]c1ccccc1/N=C/c1ccccc1OC[C@H]1CCCCO1 ZINC001229937636 1053434991 /nfs/dbraw/zinc/43/49/91/1053434991.db2.gz OWUQUVRIKFNWOM-RBYWHNRPSA-N -1 3 311.381 4.091 20 30 DIEDHM Cc1cccc(Cl)c1NC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001200196892 1053453809 /nfs/dbraw/zinc/45/38/09/1053453809.db2.gz FWBGSPAMQJNDLL-UHFFFAOYSA-N -1 3 317.801 4.035 20 30 DIEDHM Cc1cc([O-])c(CN(CCC#N)Cc2ccccc2)cc1Cl ZINC001231869280 1053898835 /nfs/dbraw/zinc/89/88/35/1053898835.db2.gz OWDKSFCWIRTRMG-UHFFFAOYSA-N -1 3 314.816 4.270 20 30 DIEDHM O=C([C@H]1CCC[C@H](F)C1)N([O-])Cc1cccc2ccccc21 ZINC001332008053 1054106858 /nfs/dbraw/zinc/10/68/58/1054106858.db2.gz UMDWLEBJOVQPAP-HOCLYGCPSA-N -1 3 301.361 4.086 20 30 DIEDHM O=C([C@@H]1CC12CCCC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001333203706 1054146885 /nfs/dbraw/zinc/14/68/85/1054146885.db2.gz LXSCCYRWLBWZHU-ZDUSSCGKSA-N -1 3 314.212 4.292 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-]C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC001438876200 1054217517 /nfs/dbraw/zinc/21/75/17/1054217517.db2.gz IPMQBYHTEOYUID-UHFFFAOYSA-N -1 3 321.289 4.268 20 30 DIEDHM C=CCCN(Cc1ccccc1)Cc1c(F)ccc([O-])c1F ZINC001233395633 1054260044 /nfs/dbraw/zinc/26/00/44/1054260044.db2.gz GWIJORXXRQQCNW-UHFFFAOYSA-N -1 3 303.352 4.249 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCc2cc(Cl)ccc21 ZINC001233802028 1054362603 /nfs/dbraw/zinc/36/26/03/1054362603.db2.gz FYFLFBNTFRVJFV-RPJLVFAOSA-N -1 3 317.772 4.223 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1csc(Cl)c1 ZINC001233804400 1054363462 /nfs/dbraw/zinc/36/34/62/1054363462.db2.gz ZEPAYUZNUVYBEO-UVSFYCKTSA-N -1 3 311.790 4.358 20 30 DIEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(/C=N/[O-])cc1OC ZINC001233803548 1054363907 /nfs/dbraw/zinc/36/39/07/1054363907.db2.gz QWGDXHXXNDYBPM-LPOFEYKZSA-N -1 3 303.402 4.263 20 30 DIEDHM C[C@H](Oc1cccc([O-])c1F)C(F)(F)C(F)(F)C(F)(F)F ZINC001233867759 1054377100 /nfs/dbraw/zinc/37/71/00/1054377100.db2.gz JBASHCNWGPRWOQ-YFKPBYRVSA-N -1 3 324.167 4.132 20 30 DIEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1OC(F)(F)F ZINC001234144612 1054439768 /nfs/dbraw/zinc/43/97/68/1054439768.db2.gz RGPWMRMTDLYQJU-JTQLQIEISA-N -1 3 323.270 4.302 20 30 DIEDHM C=C[C@]1(C)CC[C@H](Oc2c(Cl)ccc([O-])c2F)C(C)(C)O1 ZINC001234262903 1054477267 /nfs/dbraw/zinc/47/72/67/1054477267.db2.gz KYFTZALOGBXROG-BLLLJJGKSA-N -1 3 314.784 4.466 20 30 DIEDHM CCn1ccnc1C(C#N)=C([O-])c1coc2ccc(C(C)C)cc21 ZINC001344863729 1054481544 /nfs/dbraw/zinc/48/15/44/1054481544.db2.gz KBLYKPYENMZANV-HNNXBMFYSA-N -1 3 321.380 4.263 20 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FEQCRSHPSADWBY-UHFFFAOYSA-N -1 3 314.143 4.164 20 30 DIEDHM O=C(c1ccsc1C(F)F)N([O-])Cc1ccccc1Cl ZINC001649046553 1055751550 /nfs/dbraw/zinc/75/15/50/1055751550.db2.gz YFHDHCIDCNVKCV-UHFFFAOYSA-N -1 3 317.744 4.371 20 30 DIEDHM CCCCCCN([O-])C(=O)c1ccc(-c2ccccc2F)o1 ZINC001649051800 1055766452 /nfs/dbraw/zinc/76/64/52/1055766452.db2.gz HCQKOQZHUJOGAW-UHFFFAOYSA-N -1 3 305.349 4.497 20 30 DIEDHM CCCCCCN([O-])C(=O)COc1cc(Cl)ccc1Cl ZINC001649051554 1055768422 /nfs/dbraw/zinc/76/84/22/1055768422.db2.gz ATUHIRGBKPTKPU-UHFFFAOYSA-N -1 3 320.216 4.170 20 30 DIEDHM Cc1cc(C(F)F)oc1C(=O)N([O-])CCCCc1ccccc1 ZINC001649052430 1055769532 /nfs/dbraw/zinc/76/95/32/1055769532.db2.gz XXUPEOYAEFRRJP-UHFFFAOYSA-N -1 3 323.339 4.380 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1cn(CC)c2ccccc12 ZINC001649056864 1055788119 /nfs/dbraw/zinc/78/81/19/1055788119.db2.gz JABBXMQZWUOYKP-UHFFFAOYSA-N -1 3 302.418 4.002 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1ccccc1C(F)(F)F ZINC001649056899 1055788997 /nfs/dbraw/zinc/78/89/97/1055788997.db2.gz KLJHHRIZQDPTMF-UHFFFAOYSA-N -1 3 303.324 4.046 20 30 DIEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(CC)c1[O-] ZINC001568582477 1055841020 /nfs/dbraw/zinc/84/10/20/1055841020.db2.gz ZSZWGOHQRYUTQT-UHFFFAOYSA-N -1 3 309.409 4.173 20 30 DIEDHM C=CCO[N-]C(=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001569150841 1055855084 /nfs/dbraw/zinc/85/50/84/1055855084.db2.gz OOKQOGVYDMJGSF-UHFFFAOYSA-N -1 3 307.821 4.067 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC001611655909 1056178013 /nfs/dbraw/zinc/17/80/13/1056178013.db2.gz XJQJQESJJXZPQP-UHFFFAOYSA-N -1 3 322.430 4.052 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC001611655597 1056178355 /nfs/dbraw/zinc/17/83/55/1056178355.db2.gz KCGRMESOWKEZEP-CYBMUJFWSA-N -1 3 313.825 4.214 20 30 DIEDHM CS[C@H](C)CCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001611642417 1056179253 /nfs/dbraw/zinc/17/92/53/1056179253.db2.gz PWDCTBFFFFBAOC-SECBINFHSA-N -1 3 322.257 4.243 20 30 DIEDHM CCCCCCN([O-])C(=O)c1nc(-c2cccs2)oc1C ZINC001611655749 1056179272 /nfs/dbraw/zinc/17/92/72/1056179272.db2.gz PRGUOAJFSVZFRZ-UHFFFAOYSA-N -1 3 308.403 4.123 20 30 DIEDHM O=C(Nc1ccccc1)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001240115084 1056336600 /nfs/dbraw/zinc/33/66/00/1056336600.db2.gz CLJKZOVJTZNHSZ-UHFFFAOYSA-N -1 3 316.360 4.414 20 30 DIEDHM C=CCCO[N-]C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC001586069239 1056665952 /nfs/dbraw/zinc/66/59/52/1056665952.db2.gz CZDCUJXHOCUOBP-UHFFFAOYSA-N -1 3 323.436 4.102 20 30 DIEDHM C=C(C)[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(F)c(F)c1 ZINC001616852665 1056728879 /nfs/dbraw/zinc/72/88/79/1056728879.db2.gz FKUVMKNADWUZBN-KRWDZBQOSA-N -1 3 317.335 4.026 20 30 DIEDHM N#Cc1ccc(-c2ccccc2Nc2cc(F)cc(F)c2[O-])nc1 ZINC001212493175 1056838060 /nfs/dbraw/zinc/83/80/60/1056838060.db2.gz URUYICOWOIMMJP-UHFFFAOYSA-N -1 3 323.302 4.348 20 30 DIEDHM N#CCc1ccc(-c2c(F)ccc([O-])c2F)cc1C(F)(F)F ZINC001241292998 1057000344 /nfs/dbraw/zinc/00/03/44/1057000344.db2.gz MFLXQGBLZVBQTA-UHFFFAOYSA-N -1 3 313.225 4.422 20 30 DIEDHM CC(C)c1csc(C(C#N)=C([O-])c2cc3ccsc3[nH]2)n1 ZINC000673813664 1057134686 /nfs/dbraw/zinc/13/46/86/1057134686.db2.gz GCYKIYIOAJHEMH-JTQLQIEISA-N -1 3 315.423 4.299 20 30 DIEDHM CC(C)c1csc(C(C#N)=C([O-])c2cc3ccsc3[nH]2)n1 ZINC000673813665 1057134911 /nfs/dbraw/zinc/13/49/11/1057134911.db2.gz GCYKIYIOAJHEMH-SNVBAGLBSA-N -1 3 315.423 4.299 20 30 DIEDHM Cc1ccc2ccc(F)c(-c3ccc4c(c3)CC/C4=N/[O-])c2n1 ZINC001242053466 1057252311 /nfs/dbraw/zinc/25/23/11/1057252311.db2.gz GUDMIOZLRMKRAM-XLNRJJMWSA-N -1 3 306.340 4.474 20 30 DIEDHM N#Cc1cc2c(cccc2-c2cc(C(F)(F)F)ccc2[O-])[nH]1 ZINC001242139476 1057276506 /nfs/dbraw/zinc/27/65/06/1057276506.db2.gz BDDVUBMKGORKQY-UHFFFAOYSA-N -1 3 302.255 4.431 20 30 DIEDHM CC(C)(C#N)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242162038 1057284286 /nfs/dbraw/zinc/28/42/86/1057284286.db2.gz JWKFVTQNICFTQC-UHFFFAOYSA-N -1 3 306.287 4.274 20 30 DIEDHM N#Cc1nccc2cc(-c3ccc([O-])c(C(F)(F)F)c3)ccc12 ZINC001242166736 1057285334 /nfs/dbraw/zinc/28/53/34/1057285334.db2.gz VLNZISOHWYJJAR-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM N#Cc1cc(-c2ccc(NC(=O)c3ccccc3)cc2)ccc1[O-] ZINC001242567455 1057407693 /nfs/dbraw/zinc/40/76/93/1057407693.db2.gz WKKJKOKAJYBJRT-UHFFFAOYSA-N -1 3 314.344 4.183 20 30 DIEDHM [O-]/N=C1/CCc2cc(-c3cc(O)cc(C(F)(F)F)c3)ccc21 ZINC001242783893 1057474877 /nfs/dbraw/zinc/47/48/77/1057474877.db2.gz MSWQQINJJRPDMT-HKWRFOASSA-N -1 3 307.271 4.203 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc2ncccc2c1 ZINC000730589777 1057718332 /nfs/dbraw/zinc/71/83/32/1057718332.db2.gz FAAZQBBLAMLWSK-HKLRHMNMSA-N -1 3 319.335 4.463 20 30 DIEDHM COc1cc([O-])ccc1-c1nccc(-c2ccccc2)c1C#N ZINC001243979124 1057828038 /nfs/dbraw/zinc/82/80/38/1057828038.db2.gz GXZGGWSYUSFXAA-UHFFFAOYSA-N -1 3 302.333 4.001 20 30 DIEDHM N#Cc1c(F)cc(-c2cc(OC(F)(F)F)ccc2[O-])cc1F ZINC001244462754 1057965387 /nfs/dbraw/zinc/96/53/87/1057965387.db2.gz YSVMGHLWCGZCNZ-UHFFFAOYSA-N -1 3 315.197 4.108 20 30 DIEDHM [O-]/N=C1/CCc2cc(-c3ccc(OC(F)(F)F)cc3O)ccc21 ZINC001244468286 1057967638 /nfs/dbraw/zinc/96/76/38/1057967638.db2.gz PRIRMAPKLVIEHI-ZHZULCJRSA-N -1 3 323.270 4.082 20 30 DIEDHM N#Cc1ccc(C(=O)[N-]c2sc(-c3ccccc3)cc2C#N)o1 ZINC001516664465 1058187037 /nfs/dbraw/zinc/18/70/37/1058187037.db2.gz ZLRVXVJAGGLJEO-UHFFFAOYSA-N -1 3 319.345 4.004 20 30 DIEDHM C=C(C)CO[N-]C(=O)CCCOc1ccc(C(C)(C)C)cc1C ZINC001557329012 1058734784 /nfs/dbraw/zinc/73/47/84/1058734784.db2.gz CVBRZKUVJYIJBH-UHFFFAOYSA-N -1 3 319.445 4.075 20 30 DIEDHM C[C@@H]1[C@@H](C(=O)N([O-])CCCCc2ccccc2)[C@H]1c1ccccc1 ZINC001559034207 1058941899 /nfs/dbraw/zinc/94/18/99/1058941899.db2.gz QMJUGWAZNCMVBC-PWIZWCRZSA-N -1 3 323.436 4.277 20 30 DIEDHM Cc1cc(Cl)cc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001559033776 1058943212 /nfs/dbraw/zinc/94/32/12/1058943212.db2.gz XGMMDCPFKJAFEO-UHFFFAOYSA-N -1 3 310.180 4.333 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC001559034859 1058944008 /nfs/dbraw/zinc/94/40/08/1058944008.db2.gz RZCOOXXHFWADAD-UHFFFAOYSA-N -1 3 308.809 4.162 20 30 DIEDHM CCCN(CCC#N)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248883259 1060037993 /nfs/dbraw/zinc/03/79/93/1060037993.db2.gz CKDYXHFKTOACEE-UHFFFAOYSA-N -1 3 308.853 4.469 20 30 DIEDHM CCCCCCCN(CC)Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249768472 1060390027 /nfs/dbraw/zinc/39/00/27/1060390027.db2.gz CRTZRWZZJZFFOL-UHFFFAOYSA-N -1 3 313.388 4.455 20 30 DIEDHM CC(C)Oc1cc(F)c(Nc2ccc([O-])c(C#N)c2)c(F)c1 ZINC001249778374 1060395909 /nfs/dbraw/zinc/39/59/09/1060395909.db2.gz GSYUNGBJZUYUFN-UHFFFAOYSA-N -1 3 304.296 4.073 20 30 DIEDHM C=CCc1cccc(-c2nc3c(cc(F)c(F)c3F)[nH]2)c1[O-] ZINC001250712900 1061035036 /nfs/dbraw/zinc/03/50/36/1061035036.db2.gz PEPCWOWQQHDCEX-UHFFFAOYSA-N -1 3 304.271 4.081 20 30 DIEDHM C=CCc1cccc(-c2nc3ccc(F)c(F)c3n2CC)c1[O-] ZINC001250712827 1061035618 /nfs/dbraw/zinc/03/56/18/1061035618.db2.gz LIAUFGMRRHMICX-UHFFFAOYSA-N -1 3 314.335 4.436 20 30 DIEDHM CCCSc1ccc2nc(-c3ccc(C#N)cc3[O-])[nH]c2c1 ZINC001251335814 1061323126 /nfs/dbraw/zinc/32/31/26/1061323126.db2.gz RRTUPWGFEIQNGY-UHFFFAOYSA-N -1 3 309.394 4.309 20 30 DIEDHM O=C(c1ccsc1Cl)N([O-])Cc1ccccc1Cl ZINC001457992020 1061535509 /nfs/dbraw/zinc/53/55/09/1061535509.db2.gz FMGZZJZJIMCQST-UHFFFAOYSA-N -1 3 302.182 4.087 20 30 DIEDHM CCc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1CC ZINC001457991186 1061533470 /nfs/dbraw/zinc/53/34/70/1061533470.db2.gz BKTBJJURZIBLCX-UHFFFAOYSA-N -1 3 317.816 4.496 20 30 DIEDHM C[C@H]1CCCC[C@H]1CC(=O)N([O-])CCCCc1ccccc1 ZINC001457995824 1061535754 /nfs/dbraw/zinc/53/57/54/1061535754.db2.gz WLFWJQYZAGNDEU-WMZOPIPTSA-N -1 3 303.446 4.444 20 30 DIEDHM O=C([C@@H]1CCCC[C@H]1C1CC1)N([O-])Cc1ccccc1Cl ZINC001457995684 1061536394 /nfs/dbraw/zinc/53/63/94/1061536394.db2.gz VOOWPTKGQRCPHV-LSDHHAIUSA-N -1 3 307.821 4.274 20 30 DIEDHM CCCCCCN([O-])C(=O)c1ncsc1-c1ccccc1 ZINC001458009021 1061538607 /nfs/dbraw/zinc/53/86/07/1061538607.db2.gz CECVPLXBYCRIEI-UHFFFAOYSA-N -1 3 304.415 4.222 20 30 DIEDHM CCCCCCN([O-])C(=O)c1oc(-c2ccccc2)nc1C ZINC001458012794 1061540790 /nfs/dbraw/zinc/54/07/90/1061540790.db2.gz XNJGNMHZVZHAAK-UHFFFAOYSA-N -1 3 302.374 4.062 20 30 DIEDHM O=C(c1cc(C2CC2)oc1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC001458028623 1061542012 /nfs/dbraw/zinc/54/20/12/1061542012.db2.gz PXIJJFFMTGCOIZ-UHFFFAOYSA-N -1 3 315.344 4.205 20 30 DIEDHM CCCCCCCC[C@H](O)CNc1cc(F)c([O-])c(F)c1 ZINC001252131911 1061589030 /nfs/dbraw/zinc/58/90/30/1061589030.db2.gz XTYRMYDGPWTLRY-ZDUSSCGKSA-N -1 3 301.377 4.194 20 30 DIEDHM N#CCCC[C@H](NCc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001474544222 1062237274 /nfs/dbraw/zinc/23/72/74/1062237274.db2.gz DLBQGCSRGMLKCS-HNNXBMFYSA-N -1 3 316.351 4.195 20 30 DIEDHM CCCCCCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001469323772 1062527096 /nfs/dbraw/zinc/52/70/96/1062527096.db2.gz NYGRMUFQNWODNV-UHFFFAOYSA-N -1 3 323.437 4.054 20 30 DIEDHM CCCCCCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001469323772 1062527124 /nfs/dbraw/zinc/52/71/24/1062527124.db2.gz NYGRMUFQNWODNV-UHFFFAOYSA-N -1 3 323.437 4.054 20 30 DIEDHM CCCCCCN([O-])C(=O)C[C@H](C)Cc1ccccc1OC ZINC001472621375 1063108211 /nfs/dbraw/zinc/10/82/11/1063108211.db2.gz RSCPCGINADYBIB-OAHLLOKOSA-N -1 3 307.434 4.062 20 30 DIEDHM CCCCCCN([O-])C(=O)C[C@@H](C)Cc1ccccc1OC ZINC001472621374 1063108442 /nfs/dbraw/zinc/10/84/42/1063108442.db2.gz RSCPCGINADYBIB-HNNXBMFYSA-N -1 3 307.434 4.062 20 30 DIEDHM O=C([C@H]1[C@@H]2CCCCCC[C@@H]21)N([O-])Cc1ccccc1Cl ZINC001472620324 1063108863 /nfs/dbraw/zinc/10/88/63/1063108863.db2.gz XWPLAKLAQKNAMM-FOLVSLTJSA-N -1 3 307.821 4.274 20 30 DIEDHM O=C(N([O-])CCCCc1ccccc1)C1(c2ccccc2)CCC1 ZINC001472620182 1063109181 /nfs/dbraw/zinc/10/91/81/1063109181.db2.gz RVWKJEUHXDXZDB-UHFFFAOYSA-N -1 3 323.436 4.349 20 30 DIEDHM CCCCN([O-])C(=O)c1sc2cc(F)ccc2c1Cl ZINC001472621565 1063110003 /nfs/dbraw/zinc/11/00/03/1063110003.db2.gz ZXTHVDITBWCRIM-UHFFFAOYSA-N -1 3 301.770 4.325 20 30 DIEDHM O=C(c1sccc1F)N([O-])Cc1cccc2ccccc21 ZINC001472621934 1063110119 /nfs/dbraw/zinc/11/01/19/1063110119.db2.gz BPYPZUHZRDYPLC-UHFFFAOYSA-N -1 3 301.342 4.072 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC001472621452 1063110269 /nfs/dbraw/zinc/11/02/69/1063110269.db2.gz VJEJNDKEEBLEJS-PKOBYXMFSA-N -1 3 301.430 4.079 20 30 DIEDHM C=CCCO[N-]C(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC001301633187 1065068424 /nfs/dbraw/zinc/06/84/24/1065068424.db2.gz PDPCNPGTVIPVHD-UHFFFAOYSA-N -1 3 303.446 4.321 20 30 DIEDHM C=CCCCN(CC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001304647065 1065141141 /nfs/dbraw/zinc/14/11/41/1065141141.db2.gz SCJAQXWQMZYAJQ-UHFFFAOYSA-N -1 3 323.436 4.411 20 30 DIEDHM C=C[C@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001306895294 1065198589 /nfs/dbraw/zinc/19/85/89/1065198589.db2.gz XNSGETWLLAOOKS-CQSZACIVSA-N -1 3 315.800 4.418 20 30 DIEDHM CC[C@@H](Cc1ccccc1)C(=O)N([O-])Cc1ccccc1Cl ZINC001306895376 1065198695 /nfs/dbraw/zinc/19/86/95/1065198695.db2.gz ZVPSOJDHTDRKJV-HNNXBMFYSA-N -1 3 317.816 4.327 20 30 DIEDHM CCCCN([O-])C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC001306897508 1065198771 /nfs/dbraw/zinc/19/87/71/1065198771.db2.gz PQBXWZCLONTMHL-UHFFFAOYSA-N -1 3 310.806 4.095 20 30 DIEDHM CC1(C)CC(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001306894256 1065198882 /nfs/dbraw/zinc/19/88/82/1065198882.db2.gz RPQPJOIPPSFMJK-UHFFFAOYSA-N -1 3 302.201 4.147 20 30 DIEDHM O=C(CC(C1CC1)C1CC1)N([O-])CCCCc1ccccc1 ZINC001306895983 1065198912 /nfs/dbraw/zinc/19/89/12/1065198912.db2.gz DUCIDZOXWAEGBU-UHFFFAOYSA-N -1 3 301.430 4.053 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cc(-c2ccc(C)cc2)no1 ZINC001306897038 1065198949 /nfs/dbraw/zinc/19/89/49/1065198949.db2.gz WZPMNWIIIXDHPU-UHFFFAOYSA-N -1 3 302.374 4.062 20 30 DIEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(-c2ccc(CC)cc2)o1 ZINC000417625476 335015849 /nfs/dbraw/zinc/01/58/49/335015849.db2.gz MJKGCZLMOZDHKF-INIZCTEOSA-N -1 3 313.397 4.018 20 30 DIEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3ccsn3)sc21 ZINC000297621838 132025340 /nfs/dbraw/zinc/02/53/40/132025340.db2.gz ADPZMBVAJHZCJL-DTWKUNHWSA-N -1 3 317.439 4.014 20 30 DIEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ccsn3)sc2[C@H](C)C1 ZINC000297621844 132025446 /nfs/dbraw/zinc/02/54/46/132025446.db2.gz ADPZMBVAJHZCJL-RKDXNWHRSA-N -1 3 317.439 4.014 20 30 DIEDHM CSc1ccc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)o1 ZINC000297835553 132036228 /nfs/dbraw/zinc/03/62/28/132036228.db2.gz QYWSXSPZDSOTNF-UHFFFAOYSA-N -1 3 320.439 4.484 20 30 DIEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3cncs3)sc2[C@@H](C)C1 ZINC000297835987 132036241 /nfs/dbraw/zinc/03/62/41/132036241.db2.gz MYBUSOWDRYNIEG-IUCAKERBSA-N -1 3 317.439 4.014 20 30 DIEDHM CSc1ccc(Cl)cc1[N-]C(=O)c1cc(C#N)cs1 ZINC000176988627 332967308 /nfs/dbraw/zinc/96/73/08/332967308.db2.gz IKNWKZOQOYSUGL-UHFFFAOYSA-N -1 3 308.815 4.247 20 30 DIEDHM CNC(=O)Oc1cccc(N=Cc2c([O-])ccc3ccccc32)c1 ZINC000497273252 333230252 /nfs/dbraw/zinc/23/02/52/333230252.db2.gz YLOKUGKUBJGPKL-UHFFFAOYSA-N -1 3 320.348 4.014 20 30 DIEDHM CC(C)(C)c1cc([N-]C(=O)c2cscc2C#N)c(C#N)s1 ZINC000410623360 333523378 /nfs/dbraw/zinc/52/33/78/333523378.db2.gz YITJVHUWQQHFSB-UHFFFAOYSA-N -1 3 315.423 4.103 20 30 DIEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3ccco3)sc2[C@@H](C)C1 ZINC000410968269 333613355 /nfs/dbraw/zinc/61/33/55/333613355.db2.gz DNTQPXYLZNRDTB-UWVGGRQHSA-N -1 3 300.383 4.151 20 30 DIEDHM CCc1noc(C)c1C(=O)[N-]c1sc(C(C)(C)C)cc1C#N ZINC000411003653 333617039 /nfs/dbraw/zinc/61/70/39/333617039.db2.gz ALLROTQMPULPQY-UHFFFAOYSA-N -1 3 317.414 4.028 20 30 DIEDHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(F)c2C#N)CC)n1 ZINC000290478696 334173081 /nfs/dbraw/zinc/17/30/81/334173081.db2.gz HQMMEDGEVVDALR-FMIVXFBMSA-N -1 3 311.360 4.096 20 30 DIEDHM CC[C@H](C)CO[N-]C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000292821499 334193062 /nfs/dbraw/zinc/19/30/62/334193062.db2.gz DBFQSYKUIKAMLH-STQMWFEESA-N -1 3 321.446 4.038 20 30 DIEDHM Cc1sc([N-]C(=O)c2cc(C(C)(C)C)on2)c(C#N)c1C ZINC000330884552 334817856 /nfs/dbraw/zinc/81/78/56/334817856.db2.gz POXYNZYDJIKAOE-UHFFFAOYSA-N -1 3 303.387 4.158 20 30 DIEDHM Cc1csc([N-]C(=O)c2oc3ccc(F)cc3c2C)c1C#N ZINC000344887316 335283170 /nfs/dbraw/zinc/28/31/70/335283170.db2.gz DZHYYQKKZMBVPS-UHFFFAOYSA-N -1 3 314.341 4.374 20 30 DIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc4ccccc4o3)nc21 ZINC000345410930 335324001 /nfs/dbraw/zinc/32/40/01/335324001.db2.gz NYERYCBXZPHYHD-CYBMUJFWSA-N -1 3 315.332 4.108 20 30 DIEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cc4ccccc4o3)[nH]c21 ZINC000345410930 335324002 /nfs/dbraw/zinc/32/40/02/335324002.db2.gz NYERYCBXZPHYHD-CYBMUJFWSA-N -1 3 315.332 4.108 20 30 DIEDHM CC1(C)CC[C@@H](CNC(=O)c2csc(=O)[n-]2)c2ccccc21 ZINC000329969260 336101338 /nfs/dbraw/zinc/10/13/38/336101338.db2.gz XEXNVAQHNPXHAB-NSHDSACASA-N -1 3 316.426 4.009 20 30 DIEDHM Cc1ccc(-c2noc([N-][C@@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000302047819 336345376 /nfs/dbraw/zinc/34/53/76/336345376.db2.gz NWGUAPYKNXJCQC-ZDUSSCGKSA-N -1 3 304.353 4.090 20 30 DIEDHM Cc1nc(C)c(C(=O)[N-]c2sc(-c3ccccc3)cc2C#N)o1 ZINC000175654209 337146898 /nfs/dbraw/zinc/14/68/98/337146898.db2.gz IXWCTMBFBMMDAR-UHFFFAOYSA-N -1 3 323.377 4.144 20 30 DIEDHM CC(C)c1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c([O-])c1 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DIEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1c[nH]c2cc(F)ccc12 ZINC000747614429 1041411919 /nfs/dbraw/zinc/41/19/19/1041411919.db2.gz JUSDGPUSIRPBDN-UKWGHVSLSA-N -1 3 316.763 4.328 20 30 DIEDHM CC(C)OCc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1O ZINC000811624556 1041541987 /nfs/dbraw/zinc/54/19/87/1041541987.db2.gz IPXGHLOSNQTIBY-UHFFFAOYSA-N -1 3 319.788 4.427 20 30 DIEDHM CCC(=NOC/C=C\Cl)c1cc(Br)ccc1[O-] ZINC000811668157 1041550945 /nfs/dbraw/zinc/55/09/45/1041550945.db2.gz LFMFDSZIVNJBNV-KFUKRSGUSA-N -1 3 318.598 4.038 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000814770323 1041864036 /nfs/dbraw/zinc/86/40/36/1041864036.db2.gz ZOVAJVQJXHFTDV-VIFPVBQESA-N -1 3 307.262 4.094 20 30 DIEDHM C=CCC[C@H]([N-]C(=O)C(C)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000815859541 1041998829 /nfs/dbraw/zinc/99/88/29/1041998829.db2.gz DYHMPJFDMOFULR-LBPRGKRZSA-N -1 3 321.289 4.484 20 30 DIEDHM COc1cc(C(=O)/C=C/c2cc(Cl)ccc2F)ccc1[O-] ZINC000753709008 1042295962 /nfs/dbraw/zinc/29/59/62/1042295962.db2.gz 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CCc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)sc1C ZINC000522830689 1044215100 /nfs/dbraw/zinc/21/51/00/1044215100.db2.gz PBBZUXUHBUQIDJ-CYBMUJFWSA-N -1 3 323.421 4.294 20 30 DIEDHM CC(C)c1cccc(C([O-])=C(C#N)c2nccc3ccccc32)n1 ZINC000361524393 1044415020 /nfs/dbraw/zinc/41/50/20/1044415020.db2.gz KZUVADXFXQFACO-MRXNPFEDSA-N -1 3 315.376 4.243 20 30 DIEDHM Cc1scc(C([O-])=C(C#N)c2nccc3ccccc32)c1C ZINC000361530308 1044415435 /nfs/dbraw/zinc/41/54/35/1044415435.db2.gz IZVOZANYGAHYGP-HNNXBMFYSA-N -1 3 306.390 4.403 20 30 DIEDHM Cc1csc(C(C#N)=C([O-])c2cc(C)c(Cl)cc2C)n1 ZINC000361649000 1044427008 /nfs/dbraw/zinc/42/70/08/1044427008.db2.gz WEVJJHNYMZOXMM-LBPRGKRZSA-N -1 3 304.802 4.212 20 30 DIEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1F ZINC000362193448 1044487416 /nfs/dbraw/zinc/48/74/16/1044487416.db2.gz VRIAFBZLVXMPJM-GFCCVEGCSA-N -1 3 322.261 4.038 20 30 DIEDHM CC(C)c1ccc(C(=O)N([O-])Cc2cccc3ccccc32)nc1 ZINC000900091754 1045603182 /nfs/dbraw/zinc/60/31/82/1045603182.db2.gz LPVHCOKOIRTRPW-UHFFFAOYSA-N -1 3 320.392 4.390 20 30 DIEDHM C[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C1CCC1 ZINC000900096121 1045604148 /nfs/dbraw/zinc/60/41/48/1045604148.db2.gz SNGOQJDBWSITBA-SECBINFHSA-N -1 3 302.201 4.147 20 30 DIEDHM O=C(Cc1ccsc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096723 1045606184 /nfs/dbraw/zinc/60/61/84/1045606184.db2.gz NKTFXUZPEWFSIJ-UHFFFAOYSA-N -1 3 316.209 4.015 20 30 DIEDHM C[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccc(F)cc1F ZINC000901372296 1045711456 /nfs/dbraw/zinc/71/14/56/1045711456.db2.gz BTSRVZZEIZSADB-NSHDSACASA-N -1 3 323.314 4.016 20 30 DIEDHM Cc1ccccc1[C@@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372213 1045711635 /nfs/dbraw/zinc/71/16/35/1045711635.db2.gz UVAFKNBTMDXFBE-AWEZNQCLSA-N -1 3 301.361 4.046 20 30 DIEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000901372620 1045712078 /nfs/dbraw/zinc/71/20/78/1045712078.db2.gz JEYLJIWGKHQMAV-VIFPVBQESA-N -1 3 313.781 4.062 20 30 DIEDHM C[C@H](Cc1ccccc1Cl)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372063 1045712107 /nfs/dbraw/zinc/71/21/07/1045712107.db2.gz PAARZUVUGWYPNV-GFCCVEGCSA-N -1 3 321.779 4.076 20 30 DIEDHM O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N([O-])Cc1ccc(F)cc1 ZINC000901372135 1045712253 /nfs/dbraw/zinc/71/22/53/1045712253.db2.gz RXIYHDJGZGVABP-BZUAXINKSA-N -1 3 305.393 4.150 20 30 DIEDHM C[C@H](CCCc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372078 1045712983 /nfs/dbraw/zinc/71/29/83/1045712983.db2.gz PIKBQNUUKDAWSP-OAHLLOKOSA-N -1 3 315.388 4.203 20 30 DIEDHM Cc1ccccc1[C@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372214 1045713580 /nfs/dbraw/zinc/71/35/80/1045713580.db2.gz UVAFKNBTMDXFBE-CQSZACIVSA-N -1 3 301.361 4.046 20 30 DIEDHM C[C@H](C(=O)N([O-])Cc1cccc2ccccc21)c1cccs1 ZINC000901371239 1045713647 /nfs/dbraw/zinc/71/36/47/1045713647.db2.gz PELPMRKOMUPJDE-ZDUSSCGKSA-N -1 3 311.406 4.423 20 30 DIEDHM Cc1cccc2cc(C(=O)N([O-])Cc3ccc(F)cc3)sc21 ZINC000901372983 1045714473 /nfs/dbraw/zinc/71/44/73/1045714473.db2.gz QRCNBLSHMPZYPX-UHFFFAOYSA-N -1 3 315.369 4.380 20 30 DIEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000901376603 1045715213 /nfs/dbraw/zinc/71/52/13/1045715213.db2.gz VTRADPFBRCHSHK-LLVKDONJSA-N -1 3 307.752 4.001 20 30 DIEDHM O=C(C[C@@H]1C[C@H]1C1CC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378977 1045715679 /nfs/dbraw/zinc/71/56/79/1045715679.db2.gz NYJDHMGDZKTPQQ-FZMZJTMJSA-N -1 3 314.212 4.147 20 30 DIEDHM O=C(CC1CCCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380052 1045716507 /nfs/dbraw/zinc/71/65/07/1045716507.db2.gz VZNHRNLQLXPTIT-UHFFFAOYSA-N -1 3 302.201 4.292 20 30 DIEDHM O=C(c1cccs1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379539 1045716778 /nfs/dbraw/zinc/71/67/78/1045716778.db2.gz GGZRIZZQYRCQII-UHFFFAOYSA-N -1 3 302.182 4.087 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cnc(-c3ccccn3)s2)ccc1[O-] ZINC000753144540 1045729520 /nfs/dbraw/zinc/72/95/20/1045729520.db2.gz MVCPCCQGOBQYGX-VURMDHGXSA-N -1 3 322.389 4.115 20 30 DIEDHM CC(C)Oc1ccc(NCc2c([O-])cccc2Cl)cc1C#N ZINC000779605191 1045925819 /nfs/dbraw/zinc/92/58/19/1045925819.db2.gz SKYYTAKLNPGQTF-UHFFFAOYSA-N -1 3 316.788 4.317 20 30 DIEDHM CC(C)c1ncc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)s1 ZINC000758431369 1046269004 /nfs/dbraw/zinc/26/90/04/1046269004.db2.gz XIGJWWSVRMLOFH-NJQKBMNKSA-N -1 3 317.385 4.495 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1nc(Cl)cs1 ZINC000759075724 1046316657 /nfs/dbraw/zinc/31/66/57/1046316657.db2.gz IVDZYMXSYFYHDU-PDKRUMACSA-N -1 3 309.749 4.025 20 30 DIEDHM Cc1ccc(C)n1-c1ccsc1C([O-])=C(C#N)c1ccccn1 ZINC000054452461 1046474885 /nfs/dbraw/zinc/47/48/85/1046474885.db2.gz PHSPUGVQBLXBQJ-CQSZACIVSA-N -1 3 321.405 4.041 20 30 DIEDHM COc1cc(C(=O)/C=C\c2cc(C)c3ncccc3c2)ccc1[O-] ZINC000783699820 1046624429 /nfs/dbraw/zinc/62/44/29/1046624429.db2.gz MTFSIMWUIBDMLV-ALCCZGGFSA-N -1 3 319.360 4.154 20 30 DIEDHM C=CCC1(NC(=O)c2cc(SC)ccc2[O-])CCCCC1 ZINC001140821946 1046913269 /nfs/dbraw/zinc/91/32/69/1046913269.db2.gz XQTQUWHBLMQBNZ-UHFFFAOYSA-N -1 3 305.443 4.123 20 30 DIEDHM N#CC(=C([O-])c1ccc2c(c1)CCC=C2)c1nc(C2CC2)cs1 ZINC000647379865 1046994213 /nfs/dbraw/zinc/99/42/13/1046994213.db2.gz SMDQOZIFZQUWJU-MRXNPFEDSA-N -1 3 320.417 4.470 20 30 DIEDHM CCCCCCCCCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001141464292 1047141655 /nfs/dbraw/zinc/14/16/55/1047141655.db2.gz RFIUAGMDMKSIMH-UHFFFAOYSA-N -1 3 305.418 4.075 20 30 DIEDHM CC(C)(C#N)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000476451314 1047408935 /nfs/dbraw/zinc/40/89/35/1047408935.db2.gz XRXXYDPCSUGIKA-UHFFFAOYSA-N -1 3 314.772 4.099 20 30 DIEDHM C=CCC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC001151695696 1047599559 /nfs/dbraw/zinc/59/95/59/1047599559.db2.gz YHFDEZVUGYYSSD-GOSISDBHSA-N -1 3 323.392 4.032 20 30 DIEDHM CCSc1ccc(Cl)cc1C([O-])=C(C#N)c1ccccn1 ZINC000083938237 1047618502 /nfs/dbraw/zinc/61/85/02/1047618502.db2.gz XJTMWRWVNMCPKE-ZDUSSCGKSA-N -1 3 316.813 4.337 20 30 DIEDHM Cc1cc(Cl)cc(NC(=O)c2cc(C)c(C#N)c(C)c2)c1[O-] ZINC001153032803 1047619225 /nfs/dbraw/zinc/61/92/25/1047619225.db2.gz MUZSYCYGIAVXOL-UHFFFAOYSA-N -1 3 314.772 4.095 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2ccc(OC(F)(F)F)c(F)c2)c1 ZINC001213021157 1048000345 /nfs/dbraw/zinc/00/03/45/1048000345.db2.gz SEVMERIGKCFBBE-UHFFFAOYSA-N -1 3 312.222 4.045 20 30 DIEDHM CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC001160225690 1048004059 /nfs/dbraw/zinc/00/40/59/1048004059.db2.gz LIHMCOKWPSUOAM-GOSISDBHSA-N -1 3 322.408 4.073 20 30 DIEDHM CCCCCCN([O-])C(=O)c1cnc(-c2ccccc2F)s1 ZINC001184305743 1048021115 /nfs/dbraw/zinc/02/11/15/1048021115.db2.gz OZEIEAGBCJFZQV-UHFFFAOYSA-N -1 3 322.405 4.361 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](C)Cc1cncc2ccccc21 ZINC001184315307 1048022047 /nfs/dbraw/zinc/02/20/47/1048022047.db2.gz WYYVYDUUSGIUJF-HNNXBMFYSA-N -1 3 314.429 4.212 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC001184305276 1048022289 /nfs/dbraw/zinc/02/22/89/1048022289.db2.gz CSGNIVOJZULQNE-CYBMUJFWSA-N -1 3 313.825 4.214 20 30 DIEDHM CCCCN([O-])C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC001184315180 1048022666 /nfs/dbraw/zinc/02/26/66/1048022666.db2.gz SMWDJCLTPVSZPX-UHFFFAOYSA-N -1 3 304.217 4.334 20 30 DIEDHM Cc1cccc([C@H](C)C(=O)N([O-])CCCCc2ccccc2)c1 ZINC001184293062 1048025725 /nfs/dbraw/zinc/02/57/25/1048025725.db2.gz CWDXRGSOCLGTMW-KRWDZBQOSA-N -1 3 311.425 4.339 20 30 DIEDHM Cc1c(C(=O)N([O-])Cc2ccccc2Cl)ccn1C(C)C ZINC001184283481 1048026923 /nfs/dbraw/zinc/02/69/23/1048026923.db2.gz MDEAWMJKGMUJEF-UHFFFAOYSA-N -1 3 306.793 4.062 20 30 DIEDHM CCC[C@H]1CCC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293199 1048027895 /nfs/dbraw/zinc/02/78/95/1048027895.db2.gz JGIXHQKCOAAOPC-ZWKOTPCHSA-N -1 3 303.446 4.444 20 30 DIEDHM CCc1ccc(C(C)(C)C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001184348412 1048031674 /nfs/dbraw/zinc/03/16/74/1048031674.db2.gz NWLYERAWYCXWFY-UHFFFAOYSA-N -1 3 315.388 4.084 20 30 DIEDHM O=C(c1ccc(-c2ccco2)s1)N([O-])Cc1ccc(F)cc1 ZINC001184349165 1048032407 /nfs/dbraw/zinc/03/24/07/1048032407.db2.gz XKJZCZKHAASGAJ-UHFFFAOYSA-N -1 3 317.341 4.179 20 30 DIEDHM [O-]c1cc(F)c(Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1 ZINC001175100619 1048115715 /nfs/dbraw/zinc/11/57/15/1048115715.db2.gz YSCFTDOFJVIXKY-UHFFFAOYSA-N -1 3 311.156 4.110 20 30 DIEDHM O=C(c1ccc(Cl)c(F)c1)N([O-])Cc1ccccc1Cl ZINC001161807427 1048172910 /nfs/dbraw/zinc/17/29/10/1048172910.db2.gz IPLKKIZZETWTLX-UHFFFAOYSA-N -1 3 314.143 4.164 20 30 DIEDHM Cc1cccc2c(C(=O)N([O-])Cc3ccccc3Cl)coc21 ZINC001161807526 1048173117 /nfs/dbraw/zinc/17/31/17/1048173117.db2.gz JPYMXYSMHBDYSK-UHFFFAOYSA-N -1 3 315.756 4.426 20 30 DIEDHM O=C([C@@H]1CCCc2ccccc21)N([O-])CCCCc1ccccc1 ZINC001161807064 1048173516 /nfs/dbraw/zinc/17/35/16/1048173516.db2.gz AXSVVTWWDFTKFS-HXUWFJFHSA-N -1 3 323.436 4.347 20 30 DIEDHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1cccc(F)c1 ZINC001161808084 1048175428 /nfs/dbraw/zinc/17/54/28/1048175428.db2.gz VWQBZUZVVUJJIC-LLVKDONJSA-N -1 3 307.752 4.001 20 30 DIEDHM C[C@H]1C[C@H](C(=O)N([O-])CCCCc2ccccc2)C[C@@H](C)C1 ZINC001161819370 1048177543 /nfs/dbraw/zinc/17/75/43/1048177543.db2.gz QVSWITJIMLCSKW-VQFNDLOPSA-N -1 3 303.446 4.299 20 30 DIEDHM CCCCCCN([O-])C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC001161826999 1048181559 /nfs/dbraw/zinc/18/15/59/1048181559.db2.gz RZXJXKHDOGJZKV-KRWDZBQOSA-N -1 3 305.418 4.074 20 30 DIEDHM CCCCc1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001161842587 1048183317 /nfs/dbraw/zinc/18/33/17/1048183317.db2.gz JBRXPWDYTPPVLM-UHFFFAOYSA-N -1 3 315.388 4.129 20 30 DIEDHM N#Cc1ccc(-c2ccccc2Nc2c(F)ccc([O-])c2F)nc1 ZINC001175270668 1048248687 /nfs/dbraw/zinc/24/86/87/1048248687.db2.gz HFKQMBRSCFLCSO-UHFFFAOYSA-N -1 3 323.302 4.348 20 30 DIEDHM [O-]c1cc(Nc2c(F)c(F)c(F)c(F)c2F)c(F)cc1F ZINC001175385449 1048292836 /nfs/dbraw/zinc/29/28/36/1048292836.db2.gz QTOKJENCDYAZND-UHFFFAOYSA-N -1 3 311.156 4.110 20 30 DIEDHM N#Cc1cc(C(F)(F)F)ccc1Nc1cc(F)cc(F)c1[O-] ZINC001201699372 1048348862 /nfs/dbraw/zinc/34/88/62/1048348862.db2.gz OSVJVONWIKZLGI-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM CCCCCCCCCCS(=O)(=O)[N-]c1ncccc1C ZINC001201830039 1048384768 /nfs/dbraw/zinc/38/47/68/1048384768.db2.gz GGWIYPRZYGZXSB-UHFFFAOYSA-N -1 3 312.479 4.272 20 30 DIEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c(C)o1 ZINC000899895437 1048469777 /nfs/dbraw/zinc/46/97/77/1048469777.db2.gz URTCYTFICBTHHM-UHFFFAOYSA-N -1 3 314.168 4.235 20 30 DIEDHM COc1ccc(Nc2cc(C#N)ccc2[O-])c(C(F)(F)F)c1 ZINC001213049918 1048573535 /nfs/dbraw/zinc/57/35/35/1048573535.db2.gz PBZFKNVHJZSRJA-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM N#Cc1cc(NC(=O)c2cccc(-c3ccsc3)c2)ccc1[O-] ZINC001189380972 1048621978 /nfs/dbraw/zinc/62/19/78/1048621978.db2.gz PWJFBJNKTFIJDK-UHFFFAOYSA-N -1 3 320.373 4.245 20 30 DIEDHM CCCCOc1ccc(Nc2ccc([O-])c(C#N)c2)c(F)c1F ZINC001176523240 1048707595 /nfs/dbraw/zinc/70/75/95/1048707595.db2.gz ZNPWCPZVLCPTPK-UHFFFAOYSA-N -1 3 318.323 4.465 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2cncc(Oc3ccccc3)c2)c1 ZINC001203562786 1048930282 /nfs/dbraw/zinc/93/02/82/1048930282.db2.gz DKYIGVFOLTUJIG-UHFFFAOYSA-N -1 3 303.321 4.195 20 30 DIEDHM C=C(Cl)CSc1nnc([N-]c2ccccc2F)s1 ZINC000010078386 1049017245 /nfs/dbraw/zinc/01/72/45/1049017245.db2.gz HTDWMWZMHOPVRK-UHFFFAOYSA-N -1 3 301.799 4.265 20 30 DIEDHM C=CCN(Cc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC001179997091 1049246254 /nfs/dbraw/zinc/24/62/54/1049246254.db2.gz CXDDRGAQWKRNKV-UHFFFAOYSA-N -1 3 305.780 4.373 20 30 DIEDHM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001180902578 1049414726 /nfs/dbraw/zinc/41/47/26/1049414726.db2.gz JBYHEBZHLJUWHL-CQSZACIVSA-N -1 3 322.408 4.205 20 30 DIEDHM [O-]c1ccc(Br)cc1C=Nc1cccc2cc[nH]c21 ZINC000773907507 1049453554 /nfs/dbraw/zinc/45/35/54/1049453554.db2.gz QAYBBYSVGOUCCU-UHFFFAOYSA-N -1 3 315.170 4.387 20 30 DIEDHM CO[C@H](c1ccccc1F)[C@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000775631622 1049470689 /nfs/dbraw/zinc/47/06/89/1049470689.db2.gz SSLHVZFGLXJCFB-OMZGXYFASA-N -1 3 321.779 4.380 20 30 DIEDHM N#Cc1sccc1[N-]C(=O)c1cc(Cl)c(Cl)s1 ZINC001195169874 1049490520 /nfs/dbraw/zinc/49/05/20/1049490520.db2.gz RFPBCPFNXKMZEH-UHFFFAOYSA-N -1 3 303.195 4.240 20 30 DIEDHM CC(C)c1ccc([C@@H](C)NN=Cc2c(F)ccc([O-])c2F)cc1 ZINC000794496470 1049539779 /nfs/dbraw/zinc/53/97/79/1049539779.db2.gz JPNLYUAMNVZYCP-GFCCVEGCSA-N -1 3 318.367 4.479 20 30 DIEDHM CCc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)oc1CC ZINC000487912699 1049583347 /nfs/dbraw/zinc/58/33/47/1049583347.db2.gz NASPHURCFSITKF-ZDUSSCGKSA-N -1 3 321.380 4.079 20 30 DIEDHM N#Cc1ccc(F)c(F)c1Nc1ccc([O-])c(C(F)(F)F)c1 ZINC001209986996 1050117686 /nfs/dbraw/zinc/11/76/86/1050117686.db2.gz FSYREAWTLZAJLX-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM Cc1ccc(C#N)cc1Nc1ccc(Br)cc1[O-] ZINC001210501014 1050269430 /nfs/dbraw/zinc/26/94/30/1050269430.db2.gz JQRMEDKPQXONSX-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM N#Cc1cc(Nc2cc(F)c(C(F)(F)F)cc2F)ccc1[O-] ZINC001210533107 1050283836 /nfs/dbraw/zinc/28/38/36/1050283836.db2.gz UXSFRPAPFWYNJZ-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM N#Cc1cc(Cl)cc(Nc2ccc([O-])c(Br)c2)c1 ZINC001210537692 1050286594 /nfs/dbraw/zinc/28/65/94/1050286594.db2.gz BNCORARWAGYIPR-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM CC(C)(C)OC1CC(CC/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000760989970 1050333215 /nfs/dbraw/zinc/33/32/15/1050333215.db2.gz IPGSHWKAVUTFOA-YBFXNURJSA-N -1 3 309.837 4.448 20 30 DIEDHM CC(C)(C)[C@@H]1OCCC[C@@H]1C/N=C\c1cc(Cl)ccc1[O-] ZINC000735619849 1050412798 /nfs/dbraw/zinc/41/27/98/1050412798.db2.gz RKNAKERAMJERMU-DYJQDLSISA-N -1 3 309.837 4.306 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2cnc(C(C)(C)C)s2)ccc1[O-] ZINC000736434225 1050473228 /nfs/dbraw/zinc/47/32/28/1050473228.db2.gz QTCCQWACFPLMMT-SOFGYWHQSA-N -1 3 301.411 4.351 20 30 DIEDHM N#Cc1ccc(Nc2ccc(F)c([O-])c2)c(OC(F)(F)F)c1 ZINC001211217580 1050522258 /nfs/dbraw/zinc/52/22/58/1050522258.db2.gz XMKGSIPLMPHZKH-UHFFFAOYSA-N -1 3 312.222 4.045 20 30 DIEDHM N#Cc1cc(Nc2ccc(Cl)cc2[O-])ccc1N1CCCC1 ZINC001214411839 1050895378 /nfs/dbraw/zinc/89/53/78/1050895378.db2.gz PVUHOZILTFPJLA-UHFFFAOYSA-N -1 3 313.788 4.261 20 30 DIEDHM CCCCCCCCCCN(C)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148588297 1050956300 /nfs/dbraw/zinc/95/63/00/1050956300.db2.gz RLBXEBCYPISLNF-UHFFFAOYSA-N -1 3 323.433 4.016 20 30 DIEDHM Cc1ccc(O[C@H](C)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000743042693 1050978722 /nfs/dbraw/zinc/97/87/22/1050978722.db2.gz OMIXZPBSEFDVCW-OTGIAGGSSA-N -1 3 303.789 4.240 20 30 DIEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nccc2ccccc21 ZINC000792105968 1051116656 /nfs/dbraw/zinc/11/66/56/1051116656.db2.gz OPFQADNTHPXDGY-CNZFZVQHSA-N -1 3 316.335 4.264 20 30 DIEDHM N#CC(=C([O-])C=Cc1ccsc1)c1nccc2ccccc21 ZINC000792095167 1051119516 /nfs/dbraw/zinc/11/95/16/1051119516.db2.gz UJWUEQXYVFWKHU-KJPDOMRESA-N -1 3 304.374 4.186 20 30 DIEDHM N#CC(=C([O-])C=Cc1ccsc1)c1nccc2ccccc21 ZINC000792095168 1051119815 /nfs/dbraw/zinc/11/98/15/1051119815.db2.gz UJWUEQXYVFWKHU-OGZRUICASA-N -1 3 304.374 4.186 20 30 DIEDHM CSc1ncc(Cl)cc1[N-]c1onc(C(C)(C)C)c1C#N ZINC001215915369 1051451301 /nfs/dbraw/zinc/45/13/01/1051451301.db2.gz XCQOLHVFIDCLGB-UHFFFAOYSA-N -1 3 322.821 4.358 20 30 DIEDHM N#Cc1cccc(Nc2c([O-])cccc2Cl)c1Br ZINC001215986653 1051503349 /nfs/dbraw/zinc/50/33/49/1051503349.db2.gz KNULODRWWXLSFZ-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM Cc1ccc(Nc2ccc([O-])c(Br)c2)cc1C#N ZINC001216076023 1051565029 /nfs/dbraw/zinc/56/50/29/1051565029.db2.gz MPEUIZGOTCXAAN-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM Cc1cc(Nc2cc(Br)cc(C#N)c2)cc([O-])c1F ZINC001216080494 1051566921 /nfs/dbraw/zinc/56/69/21/1051566921.db2.gz CVHSISXCNGYJCA-UHFFFAOYSA-N -1 3 321.149 4.218 20 30 DIEDHM Cc1cc(Nc2cc(C#N)ccc2Br)cc([O-])c1F ZINC001216084041 1051570338 /nfs/dbraw/zinc/57/03/38/1051570338.db2.gz ZEMSIHWQWHPKNC-UHFFFAOYSA-N -1 3 321.149 4.218 20 30 DIEDHM CC(=O)c1ccc(Nc2cc(C)c([O-])c(Cl)c2)c(C#N)c1 ZINC001216087150 1051572110 /nfs/dbraw/zinc/57/21/10/1051572110.db2.gz MLBAZZHRCMLPKM-UHFFFAOYSA-N -1 3 300.745 4.172 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCOC2(CCCCC2)C1 ZINC000767691190 1051838685 /nfs/dbraw/zinc/83/86/85/1051838685.db2.gz SKPSEMCREQJSMB-IYSPOMMRSA-N -1 3 307.821 4.346 20 30 DIEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCCC(F)(F)C1 ZINC000767692290 1051839636 /nfs/dbraw/zinc/83/96/36/1051839636.db2.gz VSOZTFVHBJAHGO-XZDJTBRNSA-N -1 3 318.161 4.152 20 30 DIEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCCC(F)(F)C1 ZINC000767692282 1051840571 /nfs/dbraw/zinc/84/05/71/1051840571.db2.gz VSOZTFVHBJAHGO-FQKVVYMKSA-N -1 3 318.161 4.152 20 30 DIEDHM CC(=NNc1nc2ccccc2s1)c1ccc([O-])c(Cl)c1 ZINC000768764900 1051958616 /nfs/dbraw/zinc/95/86/16/1051958616.db2.gz XILNJGZHPUIXCE-UHFFFAOYSA-N -1 3 317.801 4.491 20 30 DIEDHM N#Cc1cc(Nc2c([O-])cccc2Br)ccc1Cl ZINC001174403198 1052132357 /nfs/dbraw/zinc/13/23/57/1052132357.db2.gz JUIGYLPWEBKIQH-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM [O-]c1ccc(Cl)cc1C=Nc1cccc(Cn2cccn2)c1 ZINC000914701582 1052220689 /nfs/dbraw/zinc/22/06/89/1052220689.db2.gz MAMFVLCAVYLWME-UHFFFAOYSA-N -1 3 311.772 4.041 20 30 DIEDHM [O-]/N=C(/c1ccccc1)[C@H](OCc1ccccn1)c1ccccc1 ZINC001222147149 1052450566 /nfs/dbraw/zinc/45/05/66/1052450566.db2.gz BGYMFWLVVRTHMC-VZFXBBDVSA-N -1 3 318.376 4.218 20 30 DIEDHM COC(C)(C)CO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001222359186 1052490813 /nfs/dbraw/zinc/49/08/13/1052490813.db2.gz UTQODGSBENZXJS-FBKQIBBUSA-N -1 3 313.397 4.048 20 30 DIEDHM COc1ccc2oc(/C=C/C(=O)c3ccc([O-])c(C)c3)cc2c1 ZINC000763288754 1052556560 /nfs/dbraw/zinc/55/65/60/1052556560.db2.gz AMZWWTKQIJBAII-QPJJXVBHSA-N -1 3 308.333 4.352 20 30 DIEDHM COc1ccc([C@H](C)/N=C/c2cc(Cl)ccc2[O-])cc1OC ZINC000915982843 1052574297 /nfs/dbraw/zinc/57/42/97/1052574297.db2.gz FFUNBICKCDHIJN-VSMYLPJWSA-N -1 3 319.788 4.243 20 30 DIEDHM COc1ccc([C@@H](C)/N=C/c2cc(Cl)ccc2[O-])cc1OC ZINC000915982844 1052574547 /nfs/dbraw/zinc/57/45/47/1052574547.db2.gz FFUNBICKCDHIJN-VURRPDKYSA-N -1 3 319.788 4.243 20 30 DIEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1O/C(=N\[O-])c1cc(F)ccc1F ZINC001223890471 1052648147 /nfs/dbraw/zinc/64/81/47/1052648147.db2.gz VCLZVGJLQYUAHX-PXJYDXOGSA-N -1 3 309.356 4.498 20 30 DIEDHM C=C[C@H](CCCC)O/C(=N\[O-])c1ccccc1Br ZINC001223885716 1052648372 /nfs/dbraw/zinc/64/83/72/1052648372.db2.gz HNZVDAJAGAPWEC-QSJBWMMGSA-N -1 3 312.207 4.346 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2c(F)cc(F)cc2F)c1C#N ZINC000154139790 1052652597 /nfs/dbraw/zinc/65/25/97/1052652597.db2.gz RVWMIHRGQPKZPY-UHFFFAOYSA-N -1 3 324.327 4.160 20 30 DIEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(-c3ccccc3)on2)s1 ZINC000126785734 1052677482 /nfs/dbraw/zinc/67/74/82/1052677482.db2.gz GYBJFBHKXQLQFL-UHFFFAOYSA-N -1 3 323.377 4.089 20 30 DIEDHM CCCOc1cccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000917142604 1052711610 /nfs/dbraw/zinc/71/16/10/1052711610.db2.gz JHMXTYHPQWLXOJ-CLFYSBASSA-N -1 3 312.365 4.086 20 30 DIEDHM C=CCOc1ccccc1[C@@H](C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225993333 1052856425 /nfs/dbraw/zinc/85/64/25/1052856425.db2.gz GUWFXLLDMUGVBH-CQSZACIVSA-N -1 3 312.365 4.300 20 30 DIEDHM C[C@H](Oc1cccc(/C=N/[O-])c1)c1ccc(Br)cc1 ZINC001226114170 1052870037 /nfs/dbraw/zinc/87/00/37/1052870037.db2.gz HDSNETWZOPHBDY-MUOOZZNISA-N -1 3 320.186 4.397 20 30 DIEDHM N#CC1(c2ccc(Nc3nc4c(cccc4[O-])s3)cc2)CC1 ZINC001212245243 1052901623 /nfs/dbraw/zinc/90/16/23/1052901623.db2.gz JMOMZKWTYGDGAC-UHFFFAOYSA-N -1 3 307.378 4.301 20 30 DIEDHM COc1ccc(N=Cc2cc(Cl)ccc2[O-])c2cccnc12 ZINC000920174084 1052926091 /nfs/dbraw/zinc/92/60/91/1052926091.db2.gz KDTWAKLXIVNEED-UHFFFAOYSA-N -1 3 312.756 4.353 20 30 DIEDHM COCCCOc1ccccc1N=Cc1cc(Cl)ccc1[O-] ZINC000920172556 1052926120 /nfs/dbraw/zinc/92/61/20/1052926120.db2.gz HIGQURNINFIXMP-UHFFFAOYSA-N -1 3 319.788 4.212 20 30 DIEDHM CCOc1cc(C=NN[C@@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000920386419 1052937153 /nfs/dbraw/zinc/93/71/53/1052937153.db2.gz ZWEBBXIMHMVDSZ-LBPRGKRZSA-N -1 3 318.804 4.129 20 30 DIEDHM CC(=NNc1cccc(F)c1)c1cc(Br)ccc1[O-] ZINC000920383974 1052937235 /nfs/dbraw/zinc/93/72/35/1052937235.db2.gz LSLAQZPPAJNBHK-UHFFFAOYSA-N -1 3 323.165 4.130 20 30 DIEDHM COc1cc(/C=C2/Cc3c(cccc3F)C2=O)cc(Cl)c1[O-] ZINC000921266939 1052968077 /nfs/dbraw/zinc/96/80/77/1052968077.db2.gz SUVLHYAAEZVLFN-YHYXMXQVSA-N -1 3 318.731 4.016 20 30 DIEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1ccccc1Br ZINC001227350614 1052983295 /nfs/dbraw/zinc/98/32/95/1052983295.db2.gz OOKIUWUJIWVEGN-JTQLQIEISA-N -1 3 318.170 4.166 20 30 DIEDHM C[C@H](CC(C)(C)S)Oc1c([O-])cc(Br)cc1F ZINC001227591038 1053003343 /nfs/dbraw/zinc/00/33/43/1053003343.db2.gz OKAIJKFRQOKXDZ-SSDOTTSWSA-N -1 3 323.227 4.160 20 30 DIEDHM C=CCOc1ccccc1[C@@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227982674 1053033163 /nfs/dbraw/zinc/03/31/63/1053033163.db2.gz GPGHPXJIOCXRNL-LLVKDONJSA-N -1 3 305.761 4.145 20 30 DIEDHM CCCc1c([O-])ccc(C(C)=O)c1OC1CCC(C#N)CC1 ZINC001228130821 1053046286 /nfs/dbraw/zinc/04/62/86/1053046286.db2.gz DCCYTLFFHAKMRU-UHFFFAOYSA-N -1 3 301.386 4.008 20 30 DIEDHM N#C[C@H](Oc1cc(-c2ccccc2)nc(=S)[n-]1)c1ccccc1 ZINC001228347171 1053079545 /nfs/dbraw/zinc/07/95/45/1053079545.db2.gz QJCRBQATRBGEMR-INIZCTEOSA-N -1 3 319.389 4.076 20 30 DIEDHM C=C[C@H](Oc1cc(O)cc([O-])c1Br)c1ccccc1 ZINC001229096707 1053246116 /nfs/dbraw/zinc/24/61/16/1053246116.db2.gz IKSCUGOOJXKPGM-ZDUSSCGKSA-N -1 3 321.170 4.166 20 30 DIEDHM N#CC[C@H](Oc1cccc([O-])c1Br)c1ccccc1 ZINC001229140469 1053256286 /nfs/dbraw/zinc/25/62/86/1053256286.db2.gz CBDMTEJPVTWHOG-ZDUSSCGKSA-N -1 3 318.170 4.188 20 30 DIEDHM C=C[C@@H](C#CC(C)(C)C)Oc1cccc([O-])c1Br ZINC001229140824 1053256688 /nfs/dbraw/zinc/25/66/88/1053256688.db2.gz FYPJFUVWZQENRO-NSHDSACASA-N -1 3 309.203 4.138 20 30 DIEDHM C=C[C@@H](Oc1cccc([O-])c1Br)c1ccccc1 ZINC001229141734 1053257840 /nfs/dbraw/zinc/25/78/40/1053257840.db2.gz MKPBGRHBDCOJJJ-CYBMUJFWSA-N -1 3 305.171 4.461 20 30 DIEDHM Cc1ccc(C(=O)c2ccc([O-])c(O[C@H](C)[C@H](C)S)c2)cc1 ZINC001229536717 1053347613 /nfs/dbraw/zinc/34/76/13/1053347613.db2.gz FWQIOFACGJRQLR-OLZOCXBDSA-N -1 3 316.422 4.017 20 30 DIEDHM C=C[C@H](C)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229807186 1053407199 /nfs/dbraw/zinc/40/71/99/1053407199.db2.gz GGPKISHMEVIDOJ-NSHDSACASA-N -1 3 300.354 4.018 20 30 DIEDHM C[C@@H]1C[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])CCO1 ZINC001229938351 1053433990 /nfs/dbraw/zinc/43/39/90/1053433990.db2.gz VBDCQTLVXDLXHD-KMXYXJQTSA-N -1 3 311.381 4.089 20 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SIFAEGABGQGFHU-JTQLQIEISA-N -1 3 307.271 4.423 20 30 DIEDHM N#Cc1cc([O-])cc(O[C@H]2CCc3cc(C(F)(F)F)ccc32)c1 ZINC001234144419 1054438881 /nfs/dbraw/zinc/43/88/81/1054438881.db2.gz NUXLFRYDJLJAJO-INIZCTEOSA-N -1 3 319.282 4.349 20 30 DIEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1cc(-c2ccccc2)no1 ZINC001234143168 1054439513 /nfs/dbraw/zinc/43/95/13/1054439513.db2.gz ACRZPRLTFAFEAG-LBPRGKRZSA-N -1 3 306.321 4.059 20 30 DIEDHM C=C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccccc1 ZINC001234693087 1054577190 /nfs/dbraw/zinc/57/71/90/1054577190.db2.gz TWGXWRAJPSVZNV-INIZCTEOSA-N -1 3 304.349 4.155 20 30 DIEDHM CCC(=NNc1ccc(OC(F)F)cc1)c1ccc([O-])c(F)c1 ZINC000764690043 1055233364 /nfs/dbraw/zinc/23/33/64/1055233364.db2.gz KJDNFNSQCQKVDB-UHFFFAOYSA-N -1 3 324.302 4.359 20 30 DIEDHM N#CCCN(Cc1cc(Cl)c(Cl)cc1[O-])C1CCCC1 ZINC001236797475 1055260903 /nfs/dbraw/zinc/26/09/03/1055260903.db2.gz XYGFDLZWZFFYFE-UHFFFAOYSA-N -1 3 313.228 4.357 20 30 DIEDHM C[C@@H]1[C@@H](C(=O)N([O-])Cc2ccccc2Cl)[C@H]1c1ccccc1 ZINC001649045920 1055745796 /nfs/dbraw/zinc/74/57/96/1055745796.db2.gz FSSUICKULKFUFH-JCURWCKSSA-N -1 3 315.800 4.108 20 30 DIEDHM O=C([C@@H]1CCCC(F)(F)C1)N([O-])CCCCc1ccccc1 ZINC001649052276 1055770722 /nfs/dbraw/zinc/77/07/22/1055770722.db2.gz WFGTUDUBQAKASI-OAHLLOKOSA-N -1 3 311.372 4.053 20 30 DIEDHM O=C(Cc1cccc(C2CC2)c1)N([O-])CCCCc1ccccc1 ZINC001649052180 1055770781 /nfs/dbraw/zinc/77/07/81/1055770781.db2.gz TUTFAJJACUZZHO-UHFFFAOYSA-N -1 3 323.436 4.347 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](C)Cc1ccc(OCC)cc1 ZINC001649056671 1055786332 /nfs/dbraw/zinc/78/63/32/1055786332.db2.gz FVCAOVDGJZZSOE-OAHLLOKOSA-N -1 3 307.434 4.062 20 30 DIEDHM CCCCCCN([O-])C(=O)CCc1c[nH]c2c1cccc2C ZINC001649057509 1055792837 /nfs/dbraw/zinc/79/28/37/1055792837.db2.gz ZOSWICKMHVSGBY-UHFFFAOYSA-N -1 3 302.418 4.207 20 30 DIEDHM CCCCN([O-])C(=O)Cc1ccccc1Oc1ccc(C)cc1 ZINC001649061719 1055825482 /nfs/dbraw/zinc/82/54/82/1055825482.db2.gz VPRSEJUOABMQMZ-UHFFFAOYSA-N -1 3 313.397 4.348 20 30 DIEDHM Cc1cccc(C2(C(=O)N([O-])CCCCc3ccccc3)CC2)c1 ZINC001611653588 1056178453 /nfs/dbraw/zinc/17/84/53/1056178453.db2.gz YJVAWBCHCVRTTR-UHFFFAOYSA-N -1 3 323.436 4.267 20 30 DIEDHM O=C(N([O-])Cc1cc(Cl)cc(Cl)c1)C12CCC(CC1)C2 ZINC001611642214 1056178694 /nfs/dbraw/zinc/17/86/94/1056178694.db2.gz ISSSINKGWAAADU-UHFFFAOYSA-N -1 3 314.212 4.292 20 30 DIEDHM Cc1ccc(CC(=O)N([O-])Cc2ccccc2Cl)cc1Cl ZINC001611651115 1056179001 /nfs/dbraw/zinc/17/90/01/1056179001.db2.gz ZRBKGKXMBXWLCV-UHFFFAOYSA-N -1 3 324.207 4.262 20 30 DIEDHM Cc1ccc(CCC(=O)N([O-])Cc2ccccc2Cl)s1 ZINC001611650733 1056179137 /nfs/dbraw/zinc/17/91/37/1056179137.db2.gz IRWPUWHMEZVVJH-UHFFFAOYSA-N -1 3 309.818 4.061 20 30 DIEDHM CC1=CC[C@@](C)(C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC001611653366 1056179302 /nfs/dbraw/zinc/17/93/02/1056179302.db2.gz OUMVCAYXUDBQJF-LJQANCHMSA-N -1 3 301.430 4.364 20 30 DIEDHM C/C(=N\[O-])c1ccc(-c2cnc(Cl)n2[C@H]2CCCCO2)cc1 ZINC001240556332 1056573409 /nfs/dbraw/zinc/57/34/09/1056573409.db2.gz XEMMMZRFYLGKHQ-SKCQWOFPSA-N -1 3 319.792 4.101 20 30 DIEDHM C=C(C)[C@@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(F)c(F)c1 ZINC001616852666 1056728487 /nfs/dbraw/zinc/72/84/87/1056728487.db2.gz FKUVMKNADWUZBN-QGZVFWFLSA-N -1 3 317.335 4.026 20 30 DIEDHM C=CC[C@@H](CC)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001618143851 1056926498 /nfs/dbraw/zinc/92/64/98/1056926498.db2.gz FQMMDLIESPGAIS-CQSZACIVSA-N -1 3 311.381 4.269 20 30 DIEDHM [O-]/N=C/c1ccc(-c2cccc(O[C@@H]3CCCCO3)c2)cc1F ZINC001241217137 1056964907 /nfs/dbraw/zinc/96/49/07/1056964907.db2.gz VKQOYHQZNHRVTK-BAOGCXAUSA-N -1 3 315.344 4.206 20 30 DIEDHM CC(C)(C)OC(=O)c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001241539142 1057088105 /nfs/dbraw/zinc/08/81/05/1057088105.db2.gz RHZASTPTGAOMDH-RGVLZGJSSA-N -1 3 315.344 4.256 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\C1CC(OCc2ccccc2)C1 ZINC000766011064 1057092070 /nfs/dbraw/zinc/09/20/70/1057092070.db2.gz VWLUXVASMAERDJ-JAIQZWGSSA-N -1 3 315.800 4.212 20 30 DIEDHM [O-]/N=C/c1cccc(-c2cccnc2OCc2ccccc2)c1 ZINC001241830530 1057180197 /nfs/dbraw/zinc/18/01/97/1057180197.db2.gz AQDYPLBKKGBKGX-FYJGNVAPSA-N -1 3 304.349 4.136 20 30 DIEDHM N#Cc1cc2ccccc2nc1-c1cc([O-])cc(C(F)(F)F)c1 ZINC001242780585 1057473123 /nfs/dbraw/zinc/47/31/23/1057473123.db2.gz RYTKGKCGRGMRAR-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM [O-]/N=C1/CCc2cc(-c3cc(O)cc(OC(F)(F)F)c3)ccc21 ZINC001242989720 1057538278 /nfs/dbraw/zinc/53/82/78/1057538278.db2.gz ZQRYITANWJUBFM-HKWRFOASSA-N -1 3 323.270 4.082 20 30 DIEDHM CC(C)(C)C(=O)Nc1ccccc1-c1cc(/C=N/[O-])ccc1F ZINC001243190146 1057598656 /nfs/dbraw/zinc/59/86/56/1057598656.db2.gz LVFYUWXOGDDOKA-RGVLZGJSSA-N -1 3 314.360 4.285 20 30 DIEDHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1cccc(C#N)c1 ZINC000727640078 1057660824 /nfs/dbraw/zinc/66/08/24/1057660824.db2.gz BIGFSFDRMNSVIA-QMMMGPOBSA-N -1 3 309.152 4.111 20 30 DIEDHM C=CCN(Cc1cccs1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527165549 1057660882 /nfs/dbraw/zinc/66/08/82/1057660882.db2.gz PXTGJLQTHJUZNT-UHFFFAOYSA-N -1 3 323.417 4.435 20 30 DIEDHM Cc1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc(C)c1O ZINC000730589276 1057718130 /nfs/dbraw/zinc/71/81/30/1057718130.db2.gz AJKLLIIKUPGZTI-KAQJVSAMSA-N -1 3 312.340 4.237 20 30 DIEDHM C/C(=N\[O-])c1ccc(-c2cc(OC(F)(F)F)ccc2O)cc1 ZINC001244461803 1057964852 /nfs/dbraw/zinc/96/48/52/1057964852.db2.gz GYGJXUMIDCPSKS-DJKKODMXSA-N -1 3 311.259 4.156 20 30 DIEDHM Cc1cc(-c2ccc(/N=C/N(C)C)c(C#N)c2)cc(Cl)c1[O-] ZINC001244550685 1057993593 /nfs/dbraw/zinc/99/35/93/1057993593.db2.gz IMMJNBFUNUITQL-KEBDBYFISA-N -1 3 313.788 4.114 20 30 DIEDHM Cc1ccc(Cl)cc1NC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001245172019 1058123428 /nfs/dbraw/zinc/12/34/28/1058123428.db2.gz ZEJVZCXUCIYFEH-UHFFFAOYSA-N -1 3 317.801 4.035 20 30 DIEDHM CCc1cc(C#N)c([N-]C(=O)c2nc(C(C)(C)C)cs2)s1 ZINC001527843766 1058255273 /nfs/dbraw/zinc/25/52/73/1058255273.db2.gz OMOVRTCGTGWVBD-UHFFFAOYSA-N -1 3 319.455 4.188 20 30 DIEDHM CC(C)(C#N)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC001556784085 1058642990 /nfs/dbraw/zinc/64/29/90/1058642990.db2.gz 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CC(C)Oc1ccc(NCc2ccc(Cl)cc2[O-])cc1C#N ZINC001474435211 1062111162 /nfs/dbraw/zinc/11/11/62/1062111162.db2.gz BHKMHZUYBOCZBJ-UHFFFAOYSA-N -1 3 316.788 4.317 20 30 DIEDHM C=C[C@H](C)O[N-]C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC001469734017 1062613740 /nfs/dbraw/zinc/61/37/40/1062613740.db2.gz ZANOVBIURZHVGD-HNNXBMFYSA-N -1 3 321.420 4.203 20 30 DIEDHM CCCCN([O-])C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC001472621566 1063108184 /nfs/dbraw/zinc/10/81/84/1063108184.db2.gz ZYHKCTBHNKDKQE-UHFFFAOYSA-N -1 3 316.835 4.157 20 30 DIEDHM O=C(C1[C@H]2CCCCCC[C@H]12)N([O-])Cc1ccccc1Cl ZINC001472620325 1063109013 /nfs/dbraw/zinc/10/90/13/1063109013.db2.gz XWPLAKLAQKNAMM-KBPBESRZSA-N -1 3 307.821 4.274 20 30 DIEDHM CC(C)(C(=O)N([O-])Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001472619711 1063109307 /nfs/dbraw/zinc/10/93/07/1063109307.db2.gz DBCXADJUJCZYFT-UHFFFAOYSA-N -1 3 321.779 4.175 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC001472621450 1063109657 /nfs/dbraw/zinc/10/96/57/1063109657.db2.gz VJEJNDKEEBLEJS-IEBWSBKVSA-N -1 3 301.430 4.079 20 30 DIEDHM CC(C)c1[nH]ccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001472621893 1063110219 /nfs/dbraw/zinc/11/02/19/1063110219.db2.gz ARVQNWARQFGHEB-UHFFFAOYSA-N -1 3 308.381 4.323 20 30 DIEDHM CCCCCCC[C@@H](C)CNC(=O)c1c([O-])cccc1OC ZINC001291885298 1064749827 /nfs/dbraw/zinc/74/98/27/1064749827.db2.gz WJWCLUJSDDYNMV-CQSZACIVSA-N -1 3 307.434 4.127 20 30 DIEDHM C[C@@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC=CCC1 ZINC001306892517 1065198969 /nfs/dbraw/zinc/19/89/69/1065198969.db2.gz FAYWRACMUAAFDN-OAHLLOKOSA-N -1 3 314.212 4.458 20 30 DIEDHM Cc1cc(C)c(CC(=O)N([O-])Cc2ccccc2Cl)c(C)c1 ZINC001306894740 1065199513 /nfs/dbraw/zinc/19/95/13/1065199513.db2.gz POOJRVNHGVKYGE-UHFFFAOYSA-N -1 3 317.816 4.226 20 30 DIEDHM O=C(c1ccc(F)cc1F)N([O-])Cc1cccc2ccccc21 ZINC001306900838 1065200436 /nfs/dbraw/zinc/20/04/36/1065200436.db2.gz TVFZBQONUPPBMA-UHFFFAOYSA-N -1 3 313.303 4.150 20 30 DIEDHM O=C(/C=C/C=C(Cl)Cl)N([O-])Cc1cccc2ccccc21 ZINC001306901259 1065201028 /nfs/dbraw/zinc/20/10/28/1065201028.db2.gz YQZBZWLKBDJXRG-ONNFQVAWSA-N -1 3 322.191 4.433 20 30 DIEDHM C=CCn1ncc2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC001308538129 1066055645 /nfs/dbraw/zinc/05/56/45/1066055645.db2.gz XFVFFJHKFNDGKX-UHFFFAOYSA-N -1 3 313.788 4.193 20 30 DIEDHM CC(C)(C)c1cc([N-]C(=O)c2cc(C#N)cs2)c(C#N)s1 ZINC000091208034 193018603 /nfs/dbraw/zinc/01/86/03/193018603.db2.gz IAXMLGOXLGXJHA-UHFFFAOYSA-N -1 3 315.423 4.103 20 30 DIEDHM CCc1cc(C#N)c([N-]C(=O)c2csc(CC(C)C)n2)s1 ZINC000063597399 331772496 /nfs/dbraw/zinc/77/24/96/331772496.db2.gz HMQIHBGCPDPDCG-UHFFFAOYSA-N -1 3 319.455 4.089 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2oc(C(C)C)nc2C)c1C#N ZINC000410434275 332143992 /nfs/dbraw/zinc/14/39/92/332143992.db2.gz NKOHAJQQCHAPRS-UHFFFAOYSA-N -1 3 317.414 4.163 20 30 DIEDHM CC(C)(C#N)c1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000559925412 332293431 /nfs/dbraw/zinc/29/34/31/332293431.db2.gz WCNXFAVKCHHMNR-UHFFFAOYSA-N -1 3 314.772 4.099 20 30 DIEDHM C=C[C@](C)(CCOC)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293339987 335104377 /nfs/dbraw/zinc/10/43/77/335104377.db2.gz DUDNSCGYHZBYDB-LJQANCHMSA-N -1 3 324.380 4.076 20 30 DIEDHM Cc1ccc2c(CSc3cccc(C#N)c3)ccc([O-])c2n1 ZINC000427809364 332524586 /nfs/dbraw/zinc/52/45/86/332524586.db2.gz YVVFWKDNWMBFRA-UHFFFAOYSA-N -1 3 306.390 4.413 20 30 DIEDHM C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187801970 333238289 /nfs/dbraw/zinc/23/82/89/333238289.db2.gz VHIMIOARNZTQFY-BLLLJJGKSA-N -1 3 316.351 4.366 20 30 DIEDHM C[C@H]1Cc2sc([N-]C(=O)c3ccco3)c(C#N)c2[C@@H](C)C1 ZINC000411024661 333622321 /nfs/dbraw/zinc/62/23/21/333622321.db2.gz ZSDFIUDKKOHVEF-ZJUUUORDSA-N -1 3 300.383 4.151 20 30 DIEDHM Cc1sc([N-]C(=O)c2scnc2C2CC2)c(C#N)c1C ZINC000328815847 334755401 /nfs/dbraw/zinc/75/54/01/334755401.db2.gz GREDFQMRTOKMRT-UHFFFAOYSA-N -1 3 303.412 4.207 20 30 DIEDHM CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])C1CCOCC1 ZINC000331230551 334843409 /nfs/dbraw/zinc/84/34/09/334843409.db2.gz HCCQBDXQBOGRLC-MRXNPFEDSA-N -1 3 305.418 4.025 20 30 DIEDHM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1CCCCN1C1CCCC1 ZINC000330358281 336177125 /nfs/dbraw/zinc/17/71/25/336177125.db2.gz UQGMGGOXEZNDAS-HNNXBMFYSA-N -1 3 322.836 4.431 20 30 DIEDHM C[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1cccc(C#N)c1 ZINC000301419847 336305559 /nfs/dbraw/zinc/30/55/59/336305559.db2.gz DMCMLVJPVIDSDX-LLVKDONJSA-N -1 3 324.771 4.435 20 30 DIEDHM N#Cc1ccsc1[N-]C(=O)c1nc2ccccc2cc1Cl ZINC000361320038 336750814 /nfs/dbraw/zinc/75/08/14/336750814.db2.gz XZUCFHCNKVJJBE-UHFFFAOYSA-N -1 3 313.769 4.074 20 30 DIEDHM N#CC(=C([O-])c1cccc(OC2CCCCC2)c1)c1ccccn1 ZINC000121644547 337896956 /nfs/dbraw/zinc/89/69/56/337896956.db2.gz LOHUNAIIUYUZDH-SFHVURJKSA-N -1 3 320.392 4.283 20 30 DIEDHM N#Cc1ccc(C(=O)[N-]c2ccccc2SC2CCCC2)o1 ZINC000431952789 338142637 /nfs/dbraw/zinc/14/26/37/338142637.db2.gz RXNAZIVWVBTECU-UHFFFAOYSA-N -1 3 312.394 4.438 20 30 DIEDHM C=CCOc1ccc(C=C(CC)c2nc(CCC)cc(=O)[n-]2)cc1 ZINC000435339058 338237440 /nfs/dbraw/zinc/23/74/40/338237440.db2.gz NPYGWIVIJCXYGG-DTQAZKPQSA-N -1 3 324.424 4.238 20 30 DIEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(C)c1 ZINC000464411163 339141590 /nfs/dbraw/zinc/14/15/90/339141590.db2.gz LBXWYDSMSYKYTK-CQSZACIVSA-N -1 3 318.298 4.207 20 30 DIEDHM N#CC(=C([O-])c1cccc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000464465781 339142811 /nfs/dbraw/zinc/14/28/11/339142811.db2.gz KDPBIDFEZLMVDX-GFCCVEGCSA-N -1 3 324.689 4.244 20 30 DIEDHM N#CC(=C([O-])c1cccc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000464465783 339142817 /nfs/dbraw/zinc/14/28/17/339142817.db2.gz KDPBIDFEZLMVDX-LBPRGKRZSA-N -1 3 324.689 4.244 20 30 DIEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1C ZINC000464480649 339143133 /nfs/dbraw/zinc/14/31/33/339143133.db2.gz ZJMUJXFRWBWPHQ-CQSZACIVSA-N -1 3 318.298 4.207 20 30 DIEDHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(F)c(C#N)c1 ZINC000484929341 339696099 /nfs/dbraw/zinc/69/60/99/339696099.db2.gz UHYYBGLAQUTDNB-UHFFFAOYSA-N -1 3 318.348 4.201 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2c(F)ccc(C)c2F)c1C#N ZINC000499729585 340043586 /nfs/dbraw/zinc/04/35/86/340043586.db2.gz FAZHIHCLYANAOH-UHFFFAOYSA-N -1 3 320.364 4.330 20 30 DIEDHM C=C[C@@H]1OCCC[C@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000517125330 340464298 /nfs/dbraw/zinc/46/42/98/340464298.db2.gz MNUWRNHTYMIQAX-WBVHZDCISA-N -1 3 322.364 4.044 20 30 DIEDHM Cc1cc(Cl)cc(NC(=O)c2ccc(C#N)c(Cl)c2)c1[O-] ZINC000547978629 341241786 /nfs/dbraw/zinc/24/17/86/341241786.db2.gz LFXADHFIXJWGQH-UHFFFAOYSA-N -1 3 321.163 4.131 20 30 DIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC(C)(C)C)cc2)n1 ZINC000080378394 341273289 /nfs/dbraw/zinc/27/32/89/341273289.db2.gz PLTJIEPAXYWRHB-CQSZACIVSA-N -1 3 314.410 4.119 20 30 DIEDHM Cc1csc2[n-]c(=S)nc(O[C@H](C)CC(C)(C)S)c12 ZINC001229351895 1053303845 /nfs/dbraw/zinc/30/38/45/1053303845.db2.gz DHGKGFPGHZIKMN-MRVPVSSYSA-N -1 3 314.501 4.154 20 30 DIEDHM COc1cc(/C=C\C(=O)c2ccccc2F)cc(Cl)c1[O-] ZINC000254952692 1035813288 /nfs/dbraw/zinc/81/32/88/1035813288.db2.gz 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1038678600 /nfs/dbraw/zinc/67/86/00/1038678600.db2.gz OSIJPVLADOYFOT-DUXPYHPUSA-N -1 3 308.362 4.053 20 30 DIEDHM Cc1cc(F)cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000076767889 1038848018 /nfs/dbraw/zinc/84/80/18/1038848018.db2.gz JUUWFAQVKYWWCS-ZDUSSCGKSA-N -1 3 322.261 4.038 20 30 DIEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccc(Br)cc1 ZINC001234139059 1039964957 /nfs/dbraw/zinc/96/49/57/1039964957.db2.gz FMDMNTIQLYUWTF-SNVBAGLBSA-N -1 3 318.170 4.166 20 30 DIEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1cccc(Br)c1 ZINC001234144906 1039971973 /nfs/dbraw/zinc/97/19/73/1039971973.db2.gz XEQDFXPYUPHUHN-JTQLQIEISA-N -1 3 318.170 4.166 20 30 DIEDHM N#Cc1ccccc1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810560505 1041401279 /nfs/dbraw/zinc/40/12/79/1041401279.db2.gz CGFNIAUAMZPFFI-UHFFFAOYSA-N -1 3 316.769 4.111 20 30 DIEDHM N#CC1CCC(COC(=O)c2cc3cc(Cl)sc3[n-]2)CC1 ZINC000810719105 1041429406 /nfs/dbraw/zinc/42/94/06/1041429406.db2.gz XTQUXWOWJQAYME-UHFFFAOYSA-N -1 3 322.817 4.370 20 30 DIEDHM 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O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N([O-])Cc1ccc(F)cc1 ZINC000901372137 1045711661 /nfs/dbraw/zinc/71/16/61/1045711661.db2.gz RXIYHDJGZGVABP-OWCLPIDISA-N -1 3 305.393 4.150 20 30 DIEDHM O=C(CCc1ccc(C(F)F)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901372275 1045712631 /nfs/dbraw/zinc/71/26/31/1045712631.db2.gz BKVTXIXZNONPGC-UHFFFAOYSA-N -1 3 323.314 4.114 20 30 DIEDHM O=C(CC1CCSCC1)N([O-])Cc1cccc2ccccc21 ZINC000901370577 1045713096 /nfs/dbraw/zinc/71/30/96/1045713096.db2.gz AHGIIPUAVIRSBN-UHFFFAOYSA-N -1 3 315.438 4.091 20 30 DIEDHM C[C@H]1CCc2sc(C(=O)N([O-])Cc3ccc(F)cc3)cc2C1 ZINC000901376598 1045714262 /nfs/dbraw/zinc/71/42/62/1045714262.db2.gz WVOYBJXRDNQNAA-NSHDSACASA-N -1 3 319.401 4.044 20 30 DIEDHM O=C(c1cccc(Cl)c1Cl)N([O-])Cc1ccc(F)cc1 ZINC000901378524 1045714413 /nfs/dbraw/zinc/71/44/13/1045714413.db2.gz IGBJACBCBZWZIG-UHFFFAOYSA-N -1 3 314.143 4.164 20 30 DIEDHM O=C(CCCc1ccc(Cl)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901375701 1045714569 /nfs/dbraw/zinc/71/45/69/1045714569.db2.gz KQEOACPDIFKMDW-UHFFFAOYSA-N -1 3 321.779 4.220 20 30 DIEDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378792 1045715897 /nfs/dbraw/zinc/71/58/97/1045715897.db2.gz KVZIRFRERICSOF-DGJRKYIQSA-N -1 3 314.212 4.003 20 30 DIEDHM O=C([C@@H]1Cc2ccccc21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380350 1045717411 /nfs/dbraw/zinc/71/74/11/1045717411.db2.gz VRIPXMGOTLDGRT-OAHLLOKOSA-N -1 3 322.191 4.051 20 30 DIEDHM COc1cc(C(=O)/C=C\c2ccc(F)c(Cl)c2)ccc1[O-] ZINC000755579190 1045996977 /nfs/dbraw/zinc/99/69/77/1045996977.db2.gz PCNOGTUDLMZDCS-UTCJRWHESA-N -1 3 306.720 4.089 20 30 DIEDHM [O-]c1cccc(Cl)c1C=NOc1ccccc1C(F)(F)F ZINC000755817602 1046017950 /nfs/dbraw/zinc/01/79/50/1046017950.db2.gz ZYNXQUXJLJGVPA-UHFFFAOYSA-N -1 3 315.678 4.477 20 30 DIEDHM C=C[C@@H]1CCCCN1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902545083 1046017749 /nfs/dbraw/zinc/01/77/49/1046017749.db2.gz PNRAQWLGKIKSGO-MRXNPFEDSA-N -1 3 311.381 4.185 20 30 DIEDHM C=C[C@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902544208 1046018899 /nfs/dbraw/zinc/01/88/99/1046018899.db2.gz CTFJYLFIVOUQTQ-AWEZNQCLSA-N -1 3 311.381 4.185 20 30 DIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)o2)cc1 ZINC000193491839 1046020423 /nfs/dbraw/zinc/02/04/23/1046020423.db2.gz IMFRCAAYRPDYEK-BLLLJJGKSA-N -1 3 324.380 4.063 20 30 DIEDHM CCOc1cc(/C=C/C(=O)c2ccsc2)cc(Cl)c1[O-] ZINC000194615913 1046102963 /nfs/dbraw/zinc/10/29/63/1046102963.db2.gz INFVCRXGJBLVGR-ONEGZZNKSA-N -1 3 308.786 4.402 20 30 DIEDHM CC(=NNc1cccc(F)c1)c1ccc(Br)cc1[O-] ZINC000756836002 1046141007 /nfs/dbraw/zinc/14/10/07/1046141007.db2.gz ZHKUWYZLXVBMRW-UHFFFAOYSA-N -1 3 323.165 4.130 20 30 DIEDHM N#CCCSc1ccccc1[N-]C(=O)c1csc(Cl)n1 ZINC000781925806 1046487511 /nfs/dbraw/zinc/48/75/11/1046487511.db2.gz YNXJBCVRIKEJFM-UHFFFAOYSA-N -1 3 323.830 4.055 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc2cnccc2c1 ZINC000782324306 1046518846 /nfs/dbraw/zinc/51/88/46/1046518846.db2.gz YWQVONRIFFDDTI-GPILYODUSA-N -1 3 319.335 4.463 20 30 DIEDHM CCOc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1F ZINC000782326344 1046519151 /nfs/dbraw/zinc/51/91/51/1046519151.db2.gz PIALXEZDRXUQMQ-QPJJXVBHSA-N -1 3 300.329 4.135 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc2cnccc2c1 ZINC000782324307 1046519175 /nfs/dbraw/zinc/51/91/75/1046519175.db2.gz YWQVONRIFFDDTI-PDICVPPASA-N -1 3 319.335 4.463 20 30 DIEDHM CC[C@@H](CC1CCCC1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000072567638 1046797230 /nfs/dbraw/zinc/79/72/30/1046797230.db2.gz OGYUCLVVCZOPIP-VIFPVBQESA-N -1 3 304.316 4.018 20 30 DIEDHM CC[C@@H](CC1CCCC1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000072567638 1046797242 /nfs/dbraw/zinc/79/72/42/1046797242.db2.gz OGYUCLVVCZOPIP-VIFPVBQESA-N -1 3 304.316 4.018 20 30 DIEDHM C=CCOc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647376907 1046994141 /nfs/dbraw/zinc/99/41/41/1046994141.db2.gz BLCSLFSSRPRUCP-OAHLLOKOSA-N -1 3 324.405 4.075 20 30 DIEDHM CCOc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080453457 1047048615 /nfs/dbraw/zinc/04/86/15/1047048615.db2.gz ZMRCHEQVGFPXRP-AWEZNQCLSA-N -1 3 314.410 4.155 20 30 DIEDHM CC(C)c1ocnc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000839370652 1047220548 /nfs/dbraw/zinc/22/05/48/1047220548.db2.gz YQTAMQVJRRVDJP-UHFFFAOYSA-N -1 3 317.414 4.281 20 30 DIEDHM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1[O-] ZINC000254761648 1047243123 /nfs/dbraw/zinc/24/31/23/1047243123.db2.gz UVKFHKZOIBYFHR-UHFFFAOYSA-N -1 3 321.336 4.290 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2coc(-c3ccccc3)n2)ccc1[O-] ZINC000749890987 1047442486 /nfs/dbraw/zinc/44/24/86/1047442486.db2.gz FSJAQJCCTOOMLU-NTMALXAHSA-N -1 3 305.333 4.252 20 30 DIEDHM C=CCN(Cc1ccccc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142660504 1047477174 /nfs/dbraw/zinc/47/71/74/1047477174.db2.gz UWKPKKIWKHAVLM-UHFFFAOYSA-N -1 3 315.800 4.226 20 30 DIEDHM CCCCCCN([O-])C(=O)COc1c(Cl)cccc1Cl ZINC001184305795 1048021231 /nfs/dbraw/zinc/02/12/31/1048021231.db2.gz RDUPKJQRZGMIAJ-UHFFFAOYSA-N -1 3 320.216 4.170 20 30 DIEDHM CCCCCCN([O-])C(=O)CSc1nccc2ccccc21 ZINC001184305555 1048022018 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CCCCCCN([O-])C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC001161827000 1048180774 /nfs/dbraw/zinc/18/07/74/1048180774.db2.gz RZXJXKHDOGJZKV-QGZVFWFLSA-N -1 3 305.418 4.074 20 30 DIEDHM O=C(c1ccc(-c2cccs2)o1)N([O-])Cc1ccc(F)cc1 ZINC001161842584 1048182864 /nfs/dbraw/zinc/18/28/64/1048182864.db2.gz IYVIFUFDBJYBGL-UHFFFAOYSA-N -1 3 317.341 4.179 20 30 DIEDHM Cc1ccc(C#N)cc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001161843059 1048183075 /nfs/dbraw/zinc/18/30/75/1048183075.db2.gz ZBICTZGBSZWWLR-UHFFFAOYSA-N -1 3 316.360 4.052 20 30 DIEDHM O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]12)N([O-])Cc1ccc(F)cc1 ZINC001161848341 1048186758 /nfs/dbraw/zinc/18/67/58/1048186758.db2.gz AWSXWUOAFNOOSJ-USXIJHARSA-N -1 3 305.393 4.150 20 30 DIEDHM [O-]c1c(F)cc(F)cc1Nc1c(F)c(F)c(F)c(F)c1F ZINC001175386886 1048295028 /nfs/dbraw/zinc/29/50/28/1048295028.db2.gz IMRCOZKOGUTVJQ-UHFFFAOYSA-N -1 3 311.156 4.110 20 30 DIEDHM N#Cc1cc(Cl)c(Nc2cncc([O-])c2)cc1C(F)(F)F ZINC001201648009 1048345267 /nfs/dbraw/zinc/34/52/67/1048345267.db2.gz GIDKJOJJZQPWIX-UHFFFAOYSA-N -1 3 313.666 4.075 20 30 DIEDHM CC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2C#N)cc1[O-] ZINC001201698580 1048347840 /nfs/dbraw/zinc/34/78/40/1048347840.db2.gz VQPVUYYEWRNILV-UHFFFAOYSA-N -1 3 320.270 4.229 20 30 DIEDHM CCCCCCCCCCS(=O)(=O)[N-]c1ncccc1F ZINC001201834258 1048386139 /nfs/dbraw/zinc/38/61/39/1048386139.db2.gz MHXLLDNEHIMDCP-UHFFFAOYSA-N -1 3 316.442 4.103 20 30 DIEDHM CCc1ccccc1NC(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001187612408 1048416602 /nfs/dbraw/zinc/41/66/02/1048416602.db2.gz BOZJJAUPFHULRJ-UHFFFAOYSA-N -1 3 312.373 4.050 20 30 DIEDHM C=C(C)CO[N-]C(=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001164454129 1048630021 /nfs/dbraw/zinc/63/00/21/1048630021.db2.gz BKHMCLAWPQVWNR-UHFFFAOYSA-N -1 3 321.848 4.457 20 30 DIEDHM N#Cc1ccc(C(F)(F)F)nc1Nc1cc([O-])cc(Cl)c1 ZINC001176623874 1048737643 /nfs/dbraw/zinc/73/76/43/1048737643.db2.gz JTHIXOYQVRTZQI-UHFFFAOYSA-N -1 3 313.666 4.075 20 30 DIEDHM C[C@@H](CC(C)(C)C#N)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000851205040 1048751190 /nfs/dbraw/zinc/75/11/90/1048751190.db2.gz WITROHWGINFRSR-QMMMGPOBSA-N -1 3 310.806 4.368 20 30 DIEDHM C=CCCC1(CNC(=O)c2ccc(CC)cc2[O-])CCCC1 ZINC001166528083 1048756579 /nfs/dbraw/zinc/75/65/79/1048756579.db2.gz IBPBCALSMWOVOO-UHFFFAOYSA-N -1 3 301.430 4.211 20 30 DIEDHM Cc1cc(F)cc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000483238149 1048758350 /nfs/dbraw/zinc/75/83/50/1048758350.db2.gz PZVWHPUQHXCRDC-KRWDZBQOSA-N -1 3 304.324 4.172 20 30 DIEDHM C[C@@H](C#N)N(Cc1cc2oc3ccccc3c2cc1[O-])C1CC1 ZINC000853548988 1048908918 /nfs/dbraw/zinc/90/89/18/1048908918.db2.gz WNFXGQYCKHVTJJ-LBPRGKRZSA-N -1 3 306.365 4.168 20 30 DIEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccc2sccc2c1 ZINC001192454495 1049107142 /nfs/dbraw/zinc/10/71/42/1049107142.db2.gz FOPCWRJGEYJERU-UHFFFAOYSA-N -1 3 309.350 4.123 20 30 DIEDHM [O-]/N=C/c1cccc(-c2ccc(OCc3ccccc3)nc2)c1 ZINC001204758439 1049254946 /nfs/dbraw/zinc/25/49/46/1049254946.db2.gz WDTDABVIFRQWMN-CIAFOILYSA-N -1 3 304.349 4.136 20 30 DIEDHM N#Cc1ccc2ccnc(-c3ccc([O-])cc3C(F)(F)F)c2c1 ZINC001205066489 1049361140 /nfs/dbraw/zinc/36/11/40/1049361140.db2.gz PEKGLNVKSCALQT-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM COc1cc(-c2ccc([O-])cc2C(F)(F)F)cc(F)c1C#N ZINC001205104163 1049377855 /nfs/dbraw/zinc/37/78/55/1049377855.db2.gz DILHLIXTKYBBGU-UHFFFAOYSA-N -1 3 311.234 4.097 20 30 DIEDHM CCSCCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001205343323 1049444297 /nfs/dbraw/zinc/44/42/97/1049444297.db2.gz MYJOBXYTEZWXKY-LYHOESIGSA-N -1 3 315.438 4.376 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2cscc2Br)ccc1[O-] ZINC000794708179 1049678846 /nfs/dbraw/zinc/67/88/46/1049678846.db2.gz QEIVZTIRVZKORF-HWKANZROSA-N -1 3 323.211 4.421 20 30 DIEDHM C[C@@H](O[N-]C(=O)CCC1CCCCC1)c1ccc(C#N)cc1 ZINC000794721618 1049685763 /nfs/dbraw/zinc/68/57/63/1049685763.db2.gz TXCHIYGRZZAJDS-CQSZACIVSA-N -1 3 300.402 4.028 20 30 DIEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccccc1[O-] ZINC000028689791 1049715729 /nfs/dbraw/zinc/71/57/29/1049715729.db2.gz LBXXNGRUXIVDRV-UHFFFAOYSA-N -1 3 314.344 4.183 20 30 DIEDHM N#Cc1ccc(Nc2cc([O-])cc(F)c2)c(OC(F)(F)F)c1 ZINC001206822793 1049806072 /nfs/dbraw/zinc/80/60/72/1049806072.db2.gz QBBLQSURXNZABA-UHFFFAOYSA-N -1 3 312.222 4.045 20 30 DIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3nccs3)c(C#N)c2[C@H]1C ZINC000591004353 1050118330 /nfs/dbraw/zinc/11/83/30/1050118330.db2.gz BVNOMSIVZYRXTJ-BDAKNGLRSA-N -1 3 317.439 4.014 20 30 DIEDHM CO[C@H](c1ccc(F)cc1)[C@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000770568319 1050169336 /nfs/dbraw/zinc/16/93/36/1050169336.db2.gz JTYLVFYXAGHYMG-OMZGXYFASA-N -1 3 321.779 4.380 20 30 DIEDHM CC(=NNc1cc(F)c(F)cc1F)c1cc(Cl)ccc1[O-] ZINC000734302501 1050243087 /nfs/dbraw/zinc/24/30/87/1050243087.db2.gz GTLKCSSTRXDHLX-UHFFFAOYSA-N -1 3 314.694 4.299 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCCN(c2ccccc2)C1 ZINC000734303466 1050243197 /nfs/dbraw/zinc/24/31/97/1050243197.db2.gz QJOUHAOCYNYRCQ-DORSJAEJSA-N -1 3 314.816 4.134 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000734752606 1050307580 /nfs/dbraw/zinc/30/75/80/1050307580.db2.gz HRVKSGAHTSZXSY-RYAZFGAPSA-N -1 3 307.727 4.299 20 30 DIEDHM C=C(C)COc1cccc(NC(=O)c2ccc(CC)cc2[O-])c1 ZINC001143641365 1050326231 /nfs/dbraw/zinc/32/62/31/1050326231.db2.gz KZIIXCXYZCMPDS-UHFFFAOYSA-N -1 3 311.381 4.162 20 30 DIEDHM Cc1cc(Nc2ccc([O-])c(Br)c2)ccc1C#N ZINC001210807971 1050374097 /nfs/dbraw/zinc/37/40/97/1050374097.db2.gz RBHFYWYHYQOIJG-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM N#Cc1ccc(Cl)nc1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210822579 1050379868 /nfs/dbraw/zinc/37/98/68/1050379868.db2.gz KYUNYEQACQLIEB-UHFFFAOYSA-N -1 3 313.666 4.075 20 30 DIEDHM COc1cccc(Nc2cc([O-])cc(C(F)(F)F)c2)c1C#N ZINC001210828970 1050383830 /nfs/dbraw/zinc/38/38/30/1050383830.db2.gz ZZTVWTOSZPAZDQ-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM N#C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C1CCCCC1 ZINC000786142135 1050453600 /nfs/dbraw/zinc/45/36/00/1050453600.db2.gz SIICPAQRDJQZMM-HNNXBMFYSA-N -1 3 315.394 4.236 20 30 DIEDHM N#Cc1cc(Nc2ccc(F)c([O-])c2)ccc1N1CCCCC1 ZINC001211218520 1050522952 /nfs/dbraw/zinc/52/29/52/1050522952.db2.gz UNOSTKLTXBPJFK-UHFFFAOYSA-N -1 3 311.360 4.137 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cc(Cl)ccc2[N+](=O)[O-])ccc1[O-] ZINC000739425252 1050573159 /nfs/dbraw/zinc/57/31/59/1050573159.db2.gz NOSKUQFMOUYBOR-UQCOIBPSSA-N -1 3 317.728 4.158 20 30 DIEDHM CC(C)N(CCC#N)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000739841654 1050591759 /nfs/dbraw/zinc/59/17/59/1050591759.db2.gz MDFHPYSBAYWTPC-UHFFFAOYSA-N -1 3 308.381 4.416 20 30 DIEDHM C=CCC[C@@H]([N-]C(=O)C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000787469437 1050606986 /nfs/dbraw/zinc/60/69/86/1050606986.db2.gz WGAVUIAKAOHXTC-LLVKDONJSA-N -1 3 307.262 4.094 20 30 DIEDHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1Cl ZINC000741467069 1050682533 /nfs/dbraw/zinc/68/25/33/1050682533.db2.gz KACAYLZHJKHSFE-ZZXKWVIFSA-N -1 3 302.757 4.259 20 30 DIEDHM COc1cc(C(=O)/C=C\c2cccc3c2OC(C)(C)C3)ccc1[O-] ZINC000737442721 1050723512 /nfs/dbraw/zinc/72/35/12/1050723512.db2.gz DSICATZYUGYJTN-CLFYSBASSA-N -1 3 324.376 4.010 20 30 DIEDHM COCc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1 ZINC000741848448 1050755276 /nfs/dbraw/zinc/75/52/76/1050755276.db2.gz LWDQJIVICLQGJQ-RLIURORJSA-N -1 3 312.340 4.061 20 30 DIEDHM Cc1ccccc1O[C@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000741844098 1050761112 /nfs/dbraw/zinc/76/11/12/1050761112.db2.gz NREFTLDBQCPJJH-OTGIAGGSSA-N -1 3 303.789 4.240 20 30 DIEDHM COCc1cccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)c1 ZINC000742432285 1050852318 /nfs/dbraw/zinc/85/23/18/1050852318.db2.gz VCLPPUDGUIVGLS-LUHPIMIVSA-N -1 3 312.340 4.061 20 30 DIEDHM COCc1cccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)c1 ZINC000742432283 1050852818 /nfs/dbraw/zinc/85/28/18/1050852818.db2.gz VCLPPUDGUIVGLS-HOXUKUGESA-N -1 3 312.340 4.061 20 30 DIEDHM COc1cc(C(=O)/C=C\c2ccsc2Cl)c(OC)cc1[O-] ZINC000790222068 1050934092 /nfs/dbraw/zinc/93/40/92/1050934092.db2.gz MDGJTXNOCJVACD-ARJAWSKDSA-N -1 3 324.785 4.020 20 30 DIEDHM CC(C)(C#N)c1ccc(Nc2c(Cl)ccc([O-])c2F)cn1 ZINC001214556576 1050942690 /nfs/dbraw/zinc/94/26/90/1050942690.db2.gz YOXOJWRTJPVVKU-UHFFFAOYSA-N -1 3 305.740 4.124 20 30 DIEDHM Cc1cc(C#N)c([N-]C(=O)c2c(F)c(C)c(F)c(C)c2F)s1 ZINC001148752204 1050972589 /nfs/dbraw/zinc/97/25/89/1050972589.db2.gz DYYHGRQCYHQHTL-UHFFFAOYSA-N -1 3 324.327 4.215 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ncc(C(C)(C)C)s2)ccc1[O-] ZINC000790599805 1050977428 /nfs/dbraw/zinc/97/74/28/1050977428.db2.gz DVFUVALRWXVSQE-FPLPWBNLSA-N -1 3 301.411 4.351 20 30 DIEDHM CO[C@H]1CCOc2c(N=Cc3cc(Cl)ccc3[O-])cccc21 ZINC000790598011 1050977811 /nfs/dbraw/zinc/97/78/11/1050977811.db2.gz IGCNBZROVKJBRM-INIZCTEOSA-N -1 3 317.772 4.266 20 30 DIEDHM C#CC[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000790980501 1051019287 /nfs/dbraw/zinc/01/92/87/1051019287.db2.gz ORXNNWJJGQVAJD-HNNXBMFYSA-N -1 3 303.764 4.039 20 30 DIEDHM Cc1ccc(F)c(Nc2cc(C#N)ccc2C(F)(F)F)c1[O-] ZINC001215741534 1051335964 /nfs/dbraw/zinc/33/59/64/1051335964.db2.gz OVPQSXUICKZETQ-UHFFFAOYSA-N -1 3 310.250 4.474 20 30 DIEDHM CCCCCCC[C@H](CCC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001172508381 1051424364 /nfs/dbraw/zinc/42/43/64/1051424364.db2.gz JROURTYZCZEYTP-HNNXBMFYSA-N -1 3 307.415 4.063 20 30 DIEDHM C#Cc1cccc(NCc2cc(C)cc(Br)c2[O-])c1 ZINC000766444872 1051425700 /nfs/dbraw/zinc/42/57/00/1051425700.db2.gz UGHSBGNQHVIDDV-UHFFFAOYSA-N -1 3 316.198 4.057 20 30 DIEDHM N#Cc1cc(Nc2c([O-])cccc2Cl)ccc1N1CCCC1 ZINC001215986865 1051504000 /nfs/dbraw/zinc/50/40/00/1051504000.db2.gz SUTAKUNNHBIBRO-UHFFFAOYSA-N -1 3 313.788 4.261 20 30 DIEDHM Cc1cc(Nc2ccc(Br)c(C#N)c2)cc([O-])c1F ZINC001216082567 1051569668 /nfs/dbraw/zinc/56/96/68/1051569668.db2.gz SRTMQHHEBUZHAA-UHFFFAOYSA-N -1 3 321.149 4.218 20 30 DIEDHM N#Cc1c(Cl)cccc1Nc1ccc([O-])c(Br)c1 ZINC001216128030 1051592162 /nfs/dbraw/zinc/59/21/62/1051592162.db2.gz ZJSFHBUMWOFXLM-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM Cc1c(C#N)cccc1Nc1cccc([O-])c1Br ZINC001216178418 1051612820 /nfs/dbraw/zinc/61/28/20/1051612820.db2.gz ZZYHZHYVWPLRDR-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM COc1cc(F)ccc1NN=C(C)c1cc(Cl)ccc1[O-] ZINC000761890313 1052268200 /nfs/dbraw/zinc/26/82/00/1052268200.db2.gz LJGMVLIEOARUBF-UHFFFAOYSA-N -1 3 308.740 4.029 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2nc(C(C)C)n3ccccc23)ccc1[O-] ZINC000762604800 1052407089 /nfs/dbraw/zinc/40/70/89/1052407089.db2.gz QQMASILOKFKZDL-NTMALXAHSA-N -1 3 320.392 4.368 20 30 DIEDHM COc1cc(C(=O)/C=C\c2ccccc2C2CC2)c(OC)cc1[O-] ZINC000763106904 1052499847 /nfs/dbraw/zinc/49/98/47/1052499847.db2.gz RZVHLKDAQGULEP-KTKRTIGZSA-N -1 3 324.376 4.183 20 30 DIEDHM CC(C)OCCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001222670217 1052523782 /nfs/dbraw/zinc/52/37/82/1052523782.db2.gz UPKOULORKAZPIB-LAFOYAEKSA-N -1 3 313.397 4.048 20 30 DIEDHM COc1ccc(F)cc1[C@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000915981403 1052574329 /nfs/dbraw/zinc/57/43/29/1052574329.db2.gz RSOQZGXFCYUEFJ-XPAGJJBOSA-N -1 3 307.752 4.373 20 30 DIEDHM COc1cccc2cc(/C=C\C(=O)c3ccc([O-])c(OC)c3)oc21 ZINC000916157084 1052593078 /nfs/dbraw/zinc/59/30/78/1052593078.db2.gz AEWMTAMHCHEESI-CLFYSBASSA-N -1 3 324.332 4.052 20 30 DIEDHM CC(=NNc1ccc(C)cc1)c1cc(Br)ccc1[O-] ZINC000916250473 1052599585 /nfs/dbraw/zinc/59/95/85/1052599585.db2.gz HMWVJOYLZXZDDW-UHFFFAOYSA-N -1 3 319.202 4.299 20 30 DIEDHM CC[C@@H](C)[C@@H](C)O/C(=N\[O-])c1ccccc1Br ZINC001223885169 1052646756 /nfs/dbraw/zinc/64/67/56/1052646756.db2.gz ZJFRIKGCIZCFKS-ULENZDLMSA-N -1 3 300.196 4.036 20 30 DIEDHM [O-]/N=C(\O[C@H]1CCC=CCCC1)c1ccccc1Br ZINC001223884855 1052646981 /nfs/dbraw/zinc/64/69/81/1052646981.db2.gz SFOIIROALCTWQQ-OTKWLRBASA-N -1 3 324.218 4.490 20 30 DIEDHM C=CCC(CC=C)O/C(=N\[O-])c1ccccc1Br ZINC001223884113 1052647422 /nfs/dbraw/zinc/64/74/22/1052647422.db2.gz BCNCKAQFARSNTL-PEZBUJJGSA-N -1 3 310.191 4.122 20 30 DIEDHM [O-]/N=C(/c1ccccc1)[C@H](OCCn1cccc1)c1ccccc1 ZINC001224890527 1052734454 /nfs/dbraw/zinc/73/44/54/1052734454.db2.gz ITEXYHVIRCLQMR-GOBJLOIFSA-N -1 3 320.392 4.125 20 30 DIEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2cccc(C(F)(F)F)c2)[n-]1 ZINC001225467305 1052792307 /nfs/dbraw/zinc/79/23/07/1052792307.db2.gz PZGLOCJNRYMMOS-SNVBAGLBSA-N -1 3 322.286 4.126 20 30 DIEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2ccc(Cl)c(Cl)c2)[n-]1 ZINC001225470065 1052793332 /nfs/dbraw/zinc/79/33/32/1052793332.db2.gz QBFJZUIMTHLAAJ-SECBINFHSA-N -1 3 323.179 4.414 20 30 DIEDHM [O-]/N=C/c1cccc(O[C@@H](c2ccccc2)C2CCOCC2)c1 ZINC001226115093 1052869925 /nfs/dbraw/zinc/86/99/25/1052869925.db2.gz WOCHDRGRVJQFAW-XPFMCRKWSA-N -1 3 311.381 4.041 20 30 DIEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226597944 1052914247 /nfs/dbraw/zinc/91/42/47/1052914247.db2.gz YQUFHCHCMXFMRP-ZBFHGGJFSA-N -1 3 312.365 4.178 20 30 DIEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598541 1052914380 /nfs/dbraw/zinc/91/43/80/1052914380.db2.gz DSCZRGOHMMPRQT-DUVNUKRYSA-N -1 3 314.381 4.258 20 30 DIEDHM [O-]c1ccc(Br)cc1C=Nc1ccc(F)cc1F ZINC000920942651 1052955405 /nfs/dbraw/zinc/95/54/05/1052955405.db2.gz NCDGONJFWGVDRX-UHFFFAOYSA-N -1 3 312.113 4.184 20 30 DIEDHM COc1cc(/C=C2/Cc3cc(C)ccc3C2=O)cc(Cl)c1[O-] ZINC000921264454 1052967465 /nfs/dbraw/zinc/96/74/65/1052967465.db2.gz UKRLLECYUKUHDC-MLPAPPSSSA-N -1 3 314.768 4.185 20 30 DIEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC001227344594 1052983397 /nfs/dbraw/zinc/98/33/97/1052983397.db2.gz ANXYIEDWWGNTES-JTQLQIEISA-N -1 3 307.271 4.423 20 30 DIEDHM Cc1cc(OC(C)C)cc(C)c1COc1cc(C#N)ccc1[O-] ZINC001227348623 1052983512 /nfs/dbraw/zinc/98/35/12/1052983512.db2.gz AJMLYPZUHQWPFT-UHFFFAOYSA-N -1 3 311.381 4.247 20 30 DIEDHM Cc1ccc([C@H](Oc2cc(C#N)ccc2[O-])C(F)(F)F)cc1 ZINC001227349678 1052983525 /nfs/dbraw/zinc/98/35/25/1052983525.db2.gz IEPJMGUXOQDWJZ-HNNXBMFYSA-N -1 3 307.271 4.255 20 30 DIEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1cc(-c2ccccc2)no1 ZINC001227351007 1052984292 /nfs/dbraw/zinc/98/42/92/1052984292.db2.gz RQZCJAMEENEQMH-GFCCVEGCSA-N -1 3 306.321 4.059 20 30 DIEDHM C=CC[C@H](Oc1c([O-])cc(Br)cc1F)C(C)C ZINC001227590051 1053002935 /nfs/dbraw/zinc/00/29/35/1053002935.db2.gz BQYNOHAVXQFZIR-LBPRGKRZSA-N -1 3 303.171 4.273 20 30 DIEDHM [O-]c1ccccc1N=CC=Nc1ccccc1OC1CCOCC1 ZINC001228122242 1053045750 /nfs/dbraw/zinc/04/57/50/1053045750.db2.gz AMUCOUPNUICDAB-UHFFFAOYSA-N -1 3 324.380 4.055 20 30 DIEDHM C=CC[C@@H](CCCC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622001 1053147883 /nfs/dbraw/zinc/14/78/83/1053147883.db2.gz GGNUWKJOFAPTBX-ZDUSSCGKSA-N -1 3 302.370 4.321 20 30 DIEDHM CCC[C@@H](C#Cc1ccccc1)Oc1cc2c(cc1[O-])CCC2=O ZINC001228855726 1053194761 /nfs/dbraw/zinc/19/47/61/1053194761.db2.gz PFUFIOFPLFYDFS-KRWDZBQOSA-N -1 3 320.388 4.120 20 30 DIEDHM C=C[C@H](CCCCC)Oc1cc(O)cc([O-])c1Br ZINC001229100728 1053247196 /nfs/dbraw/zinc/24/71/96/1053247196.db2.gz VVTMQHIWVRCTBF-LLVKDONJSA-N -1 3 315.207 4.374 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2nc3c(s2)C[C@H](C)CC3)ccc1[O-] ZINC001320397759 1053331746 /nfs/dbraw/zinc/33/17/46/1053331746.db2.gz FGPJJJHUJSIGKQ-WSKFYRRCSA-N -1 3 313.422 4.178 20 30 DIEDHM C#CC[C@H](CC)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229538807 1053347702 /nfs/dbraw/zinc/34/77/02/1053347702.db2.gz TZOPTXZZCGXLDH-KRWDZBQOSA-N -1 3 308.377 4.112 20 30 DIEDHM C=C[C@@H](CC)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229809490 1053409126 /nfs/dbraw/zinc/40/91/26/1053409126.db2.gz BRCIYYMHTJTAFW-AWEZNQCLSA-N -1 3 314.381 4.408 20 30 DIEDHM CCCCCCCCc1nnc([N-]C(=O)c2ccsn2)s1 ZINC001352866153 1053421616 /nfs/dbraw/zinc/42/16/16/1053421616.db2.gz SPLJWJYQCPBEAA-UHFFFAOYSA-N -1 3 324.475 4.150 20 30 DIEDHM CCCOC[C@@H](C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934127 1053433517 /nfs/dbraw/zinc/43/35/17/1053433517.db2.gz UTYAPJFWOMNPIH-OOWUWCJESA-N -1 3 313.397 4.337 20 30 DIEDHM C[C@H](Oc1ccccc1/C=N/c1ccccc1[O-])c1cnccn1 ZINC001229934625 1053434890 /nfs/dbraw/zinc/43/48/90/1053434890.db2.gz FEESSZJOKHXKEU-OFJBCHTGSA-N -1 3 319.364 4.073 20 30 DIEDHM C#C[C@@H]1CCC[C@@H]1Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229936753 1053435215 /nfs/dbraw/zinc/43/52/15/1053435215.db2.gz FZADEYKQQXLQLB-CMTYYKMCSA-N -1 3 305.377 4.324 20 30 DIEDHM C#C[C@@H](Oc1ccccc1Oc1ccccc1[O-])c1ccncc1 ZINC001231223979 1053705690 /nfs/dbraw/zinc/70/56/90/1053705690.db2.gz UWWVPAKFYGXVTD-QGZVFWFLSA-N -1 3 317.344 4.333 20 30 DIEDHM C[C@@H](c1ccccc1Cl)N(C)Cc1cc(C#N)ccc1[O-] ZINC001232677752 1054100184 /nfs/dbraw/zinc/10/01/84/1054100184.db2.gz JHLIUJCHTOXDNM-LBPRGKRZSA-N -1 3 300.789 4.110 20 30 DIEDHM Cc1cccc(F)c1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001333207309 1054146911 /nfs/dbraw/zinc/14/69/11/1054146911.db2.gz ZTIUQJXPUBCNGI-UHFFFAOYSA-N -1 3 309.340 4.319 20 30 DIEDHM CCc1oc2ccccc2c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001334857641 1054202199 /nfs/dbraw/zinc/20/21/99/1054202199.db2.gz OBEQVTDOWHLIOM-UHFFFAOYSA-N -1 3 313.328 4.166 20 30 DIEDHM N#CCCN(Cc1c(F)ccc([O-])c1F)C1CCCCCCC1 ZINC001233395853 1054261909 /nfs/dbraw/zinc/26/19/09/1054261909.db2.gz VOBOTSMUISVSGZ-UHFFFAOYSA-N -1 3 322.399 4.499 20 30 DIEDHM N#CC=C([O-])c1ccccc1O[C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001233525295 1054290274 /nfs/dbraw/zinc/29/02/74/1054290274.db2.gz UAGGDCYRTIWEKW-HAQNSBGRSA-N -1 3 311.303 4.283 20 30 DIEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1cc(Cl)c([O-])cc1C ZINC001233590939 1054303040 /nfs/dbraw/zinc/30/30/40/1054303040.db2.gz BQNBLKDVKQYBCC-LLVKDONJSA-N -1 3 312.793 4.019 20 30 DIEDHM Cc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c([O-])c1 ZINC001440593774 1054360174 /nfs/dbraw/zinc/36/01/74/1054360174.db2.gz UWUXRJVACSVNMS-UHFFFAOYSA-N -1 3 321.163 4.131 20 30 DIEDHM N#CC(=C([O-])C1=C(c2ccccc2)CCCC1)c1cccc(F)n1 ZINC001342697539 1054428589 /nfs/dbraw/zinc/42/85/89/1054428589.db2.gz FRVCVABKWJVNRI-QGZVFWFLSA-N -1 3 320.367 4.425 20 30 DIEDHM N#CC(=C([O-])c1cc(C2CC2)oc1C1CC1)c1cccc(F)n1 ZINC001342880570 1054431659 /nfs/dbraw/zinc/43/16/59/1054431659.db2.gz PQVKBEZNQWPXFF-CYBMUJFWSA-N -1 3 310.328 4.059 20 30 DIEDHM C=C[C@@H](C)Oc1c(-c2ccccc2[O-])oc2ccccc2c1=O ZINC001234379852 1054512701 /nfs/dbraw/zinc/51/27/01/1054512701.db2.gz JFSNVDDKNJAYAP-GFCCVEGCSA-N -1 3 308.333 4.119 20 30 DIEDHM CCC[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccc1 ZINC001234514553 1054540473 /nfs/dbraw/zinc/54/04/73/1054540473.db2.gz XUDJOKLUBKAIHT-INIZCTEOSA-N -1 3 319.364 4.127 20 30 DIEDHM C=C(C)C[C@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)C(=C)C ZINC001234792677 1054591923 /nfs/dbraw/zinc/59/19/23/1054591923.db2.gz GDLFEOOBTMCZJH-HNNXBMFYSA-N -1 3 304.386 4.202 20 30 DIEDHM C=CCCCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001448162319 1054592333 /nfs/dbraw/zinc/59/23/33/1054592333.db2.gz YEHMMNVBEZLEKA-UHFFFAOYSA-N -1 3 309.409 4.069 20 30 DIEDHM C=CCc1ccc(OC(=O)c2cccc(Cl)c2[O-])c(OC)c1 ZINC001348601881 1054664142 /nfs/dbraw/zinc/66/41/42/1054664142.db2.gz ZWGJLGSQVCPDMA-UHFFFAOYSA-N -1 3 318.756 4.002 20 30 DIEDHM C=CC[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001453967352 1054753715 /nfs/dbraw/zinc/75/37/15/1054753715.db2.gz SBXTWGOEHQPXEM-QGZVFWFLSA-N -1 3 321.420 4.021 20 30 DIEDHM C=CCCC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC001537027516 1055212075 /nfs/dbraw/zinc/21/20/75/1055212075.db2.gz ZUCGXWTUXFEEAJ-LBPRGKRZSA-N -1 3 303.299 4.101 20 30 DIEDHM CCC(=NNc1cccc2ncccc21)c1ccc([O-])c(F)c1 ZINC000764680522 1055236795 /nfs/dbraw/zinc/23/67/95/1055236795.db2.gz DKHAPTUUFXMOGT-UHFFFAOYSA-N -1 3 309.344 4.306 20 30 DIEDHM C=CCN(Cc1ccccc1)Cc1c([O-])cc(OC)cc1Cl ZINC001236804600 1055269226 /nfs/dbraw/zinc/26/92/26/1055269226.db2.gz WJZYMCSOXDHYSM-UHFFFAOYSA-N -1 3 317.816 4.242 20 30 DIEDHM CN(Cc1ccc(C#N)cc1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237080960 1055365200 /nfs/dbraw/zinc/36/52/00/1055365200.db2.gz ISSWBXMUKBEKHI-UHFFFAOYSA-N -1 3 321.207 4.203 20 30 DIEDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1sccc1CC#N ZINC001127875337 1055408364 /nfs/dbraw/zinc/40/83/64/1055408364.db2.gz RDFAMNDGFHATOP-UHFFFAOYSA-N -1 3 323.377 4.030 20 30 DIEDHM CCCCN([O-])C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC001649056615 1055786718 /nfs/dbraw/zinc/78/67/18/1055786718.db2.gz DPXYDKFWPLTDSY-UHFFFAOYSA-N -1 3 310.806 4.095 20 30 DIEDHM COc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cc1OC(C)C ZINC001238933871 1055797126 /nfs/dbraw/zinc/79/71/26/1055797126.db2.gz BBQHDQMXZYNXNI-JZJYNLBNSA-N -1 3 311.381 4.274 20 30 DIEDHM N#CC1(CC(=O)N([O-])Cc2cccc3ccccc32)CCCCC1 ZINC001649070189 1055880568 /nfs/dbraw/zinc/88/05/68/1055880568.db2.gz UZVQINPJWSBWEJ-UHFFFAOYSA-N -1 3 322.408 4.422 20 30 DIEDHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001611642646 1056177031 /nfs/dbraw/zinc/17/70/31/1056177031.db2.gz YFXLYFXVNIQVOD-UKRRQHHQSA-N -1 3 316.228 4.393 20 30 DIEDHM CCCCCCN([O-])C(=O)c1csc(-c2ccccc2)n1 ZINC001611655819 1056178552 /nfs/dbraw/zinc/17/85/52/1056178552.db2.gz SKDBDVVOIOYYPI-UHFFFAOYSA-N -1 3 304.415 4.222 20 30 DIEDHM CCCCN([O-])C(=O)CCCOc1cccc2ccccc21 ZINC001611658129 1056178660 /nfs/dbraw/zinc/17/86/60/1056178660.db2.gz WDXFEHXJFFNVRY-UHFFFAOYSA-N -1 3 301.386 4.017 20 30 DIEDHM C=CCCO[N-]C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001168627383 1056222905 /nfs/dbraw/zinc/22/29/05/1056222905.db2.gz PMPXHPZOTYUUDN-IBGZPJMESA-N -1 3 309.409 4.027 20 30 DIEDHM N#Cc1c[nH]c2cc(-c3ccc([O-])c(C(F)(F)F)c3)ccc12 ZINC001242162400 1057284318 /nfs/dbraw/zinc/28/43/18/1057284318.db2.gz OFUHLRDCUBLRKA-UHFFFAOYSA-N -1 3 302.255 4.431 20 30 DIEDHM COc1ccc(OC(F)(F)F)cc1-c1cccc(/C=N/[O-])c1 ZINC001242320943 1057334604 /nfs/dbraw/zinc/33/46/04/1057334604.db2.gz AXRQPTHCTPYSRK-DJKKODMXSA-N -1 3 311.259 4.069 20 30 DIEDHM Cc1nc(-c2cc([O-])cc(C(F)(F)F)c2)c(C#N)c(C)c1C ZINC001242781370 1057473478 /nfs/dbraw/zinc/47/34/78/1057473478.db2.gz FMZVBJHSPGQJGM-UHFFFAOYSA-N -1 3 306.287 4.270 20 30 DIEDHM Cc1ccc(-c2cc([O-])cc(OC(F)(F)F)c2)c(C)c1C#N ZINC001242989531 1057538730 /nfs/dbraw/zinc/53/87/30/1057538730.db2.gz FWNNZLPMZCSEDM-UHFFFAOYSA-N -1 3 307.271 4.446 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc2ncccc2c1 ZINC000730589780 1057718144 /nfs/dbraw/zinc/71/81/44/1057718144.db2.gz FAAZQBBLAMLWSK-ZTMOJVSCSA-N -1 3 319.335 4.463 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(F)c(F)c1 ZINC000730590308 1057718307 /nfs/dbraw/zinc/71/83/07/1057718307.db2.gz MDAPSYZXMOPVFQ-NDVARNPJSA-N -1 3 304.267 4.193 20 30 DIEDHM Cc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001244261477 1057914752 /nfs/dbraw/zinc/91/47/52/1057914752.db2.gz AIZVPDNKCIROMI-QNGOZBTKSA-N -1 3 306.287 4.200 20 30 DIEDHM CCCCN([O-])C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001559035577 1058235985 /nfs/dbraw/zinc/23/59/85/1058235985.db2.gz XBXROJBKWAHIAG-UHFFFAOYSA-N -1 3 310.806 4.095 20 30 DIEDHM O=C(CC[C@@H]1CC1(Cl)Cl)N([O-])Cc1ccccc1Cl ZINC001559033667 1058938466 /nfs/dbraw/zinc/93/84/66/1058938466.db2.gz RPBNVACUTHAZTK-SNVBAGLBSA-N -1 3 322.619 4.032 20 30 DIEDHM C[C@@H]1CC[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001559031112 1058938727 /nfs/dbraw/zinc/93/87/27/1058938727.db2.gz SELAUJURGXPATB-MWLCHTKSSA-N -1 3 302.201 4.147 20 30 DIEDHM CCCc1nc(C)c(C(=O)N([O-])Cc2ccccc2Cl)s1 ZINC001559033479 1058939378 /nfs/dbraw/zinc/93/93/78/1058939378.db2.gz KFQIPAQRSFYTOI-UHFFFAOYSA-N -1 3 324.833 4.089 20 30 DIEDHM C[C@@H](Cc1ccccc1)C(=O)N([O-])CCCCc1ccccc1 ZINC001559034345 1058940927 /nfs/dbraw/zinc/94/09/27/1058940927.db2.gz WGXOWQVGPNUTPD-KRWDZBQOSA-N -1 3 311.425 4.106 20 30 DIEDHM Cc1cccc([C@@H]2C[C@H]2C(=O)N([O-])CCCCc2ccccc2)c1 ZINC001559034279 1058941604 /nfs/dbraw/zinc/94/16/04/1058941604.db2.gz TZOXBWOWGWXDIH-VQTJNVASSA-N -1 3 323.436 4.339 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC001559034591 1058941779 /nfs/dbraw/zinc/94/17/79/1058941779.db2.gz HLWLMONQMWUODC-OAHLLOKOSA-N -1 3 307.434 4.375 20 30 DIEDHM O=C([C@H]1CCC=CCCC1)N([O-])CCCCc1ccccc1 ZINC001559034225 1058943058 /nfs/dbraw/zinc/94/30/58/1058943058.db2.gz QYTJYKKQCKIKMQ-SFHVURJKSA-N -1 3 301.430 4.364 20 30 DIEDHM C[C@@H]1[C@H](C(=O)N([O-])CCCCc2ccccc2)[C@H]1c1ccccc1 ZINC001559034205 1058943588 /nfs/dbraw/zinc/94/35/88/1058943588.db2.gz QMJUGWAZNCMVBC-DBVUQKKJSA-N -1 3 323.436 4.277 20 30 DIEDHM O=C(c1cc2c(o1)CCCC2)N([O-])CCCCc1ccccc1 ZINC001559034622 1058943925 /nfs/dbraw/zinc/94/39/25/1058943925.db2.gz IPWXQTHOXUPNPJ-UHFFFAOYSA-N -1 3 313.397 4.013 20 30 DIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(CF)cc2)s1 ZINC001525423118 1059878609 /nfs/dbraw/zinc/87/86/09/1059878609.db2.gz IHZNXSIJIZTJHY-ZDUSSCGKSA-N -1 3 316.401 4.400 20 30 DIEDHM CC(C)(C)c1cc([O-])c(CN2CCC[C@H](C#N)C2)cc1Cl ZINC001248883200 1060036565 /nfs/dbraw/zinc/03/65/65/1060036565.db2.gz AHACNPHYRNITMD-GFCCVEGCSA-N -1 3 306.837 4.079 20 30 DIEDHM CC(C)(C)c1cc([O-])c(CN2CCCC[C@@H]2C#N)cc1Cl ZINC001248883228 1060037796 /nfs/dbraw/zinc/03/77/96/1060037796.db2.gz BMOZSPVXKKWZNG-CYBMUJFWSA-N -1 3 306.837 4.221 20 30 DIEDHM CCCCCCCNC(=S)Nc1ccc(Cl)cc1[O-] ZINC001249643113 1060327370 /nfs/dbraw/zinc/32/73/70/1060327370.db2.gz ORZLKBGHPVULJC-UHFFFAOYSA-N -1 3 300.855 4.302 20 30 DIEDHM CCOc1cc(F)c(Nc2ccc([O-])c(C#N)c2)cc1Cl ZINC001250069392 1060583260 /nfs/dbraw/zinc/58/32/60/1060583260.db2.gz NWRIQGRQKSDJAL-UHFFFAOYSA-N -1 3 306.724 4.199 20 30 DIEDHM C=CCCCCCCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001463818786 1061523220 /nfs/dbraw/zinc/52/32/20/1061523220.db2.gz JEAKBRHXXXHYRT-UHFFFAOYSA-N -1 3 321.895 4.206 20 30 DIEDHM O=C([C@H]1CCCC[C@H]1C1CC1)N([O-])Cc1ccccc1Cl ZINC001457995667 1061534134 /nfs/dbraw/zinc/53/41/34/1061534134.db2.gz VOOWPTKGQRCPHV-GJZGRUSLSA-N -1 3 307.821 4.274 20 30 DIEDHM O=C(c1ccc(F)s1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457994783 1061534608 /nfs/dbraw/zinc/53/46/08/1061534608.db2.gz LXANGGYNYHJADE-UHFFFAOYSA-N -1 3 320.172 4.226 20 30 DIEDHM C=CC[C@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001457991342 1061534961 /nfs/dbraw/zinc/53/49/61/1061534961.db2.gz DXKHWQMHASXQQB-INIZCTEOSA-N -1 3 315.800 4.418 20 30 DIEDHM O=C([C@H]1C[C@H]1c1ccc(F)cc1)N([O-])Cc1ccccc1Cl ZINC001457994006 1061535272 /nfs/dbraw/zinc/53/52/72/1061535272.db2.gz OJKHBTITWJJBCV-GJZGRUSLSA-N -1 3 319.763 4.001 20 30 DIEDHM CCc1ccc([C@H](C)C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001458004294 1061538953 /nfs/dbraw/zinc/53/89/53/1061538953.db2.gz RMPHDRAAPNAOMQ-ZDUSSCGKSA-N -1 3 317.816 4.424 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001458010945 1061539073 /nfs/dbraw/zinc/53/90/73/1061539073.db2.gz KUYHVIIANPEPJL-GHMZBOCLSA-N -1 3 301.839 4.303 20 30 DIEDHM C[C@@H]1C[C@@H](CC(=O)N([O-])Cc2ccc(F)cc2)CC(C)(C)C1 ZINC001458017517 1061540092 /nfs/dbraw/zinc/54/00/92/1061540092.db2.gz RLTIBFPZBHFGML-HIFRSBDPSA-N -1 3 307.409 4.396 20 30 DIEDHM CCCCCCCC[C@H](O)CNc1cc(F)c([O-])cc1F ZINC001252131749 1061589173 /nfs/dbraw/zinc/58/91/73/1061589173.db2.gz UDLANQJTNXPZIW-LBPRGKRZSA-N -1 3 301.377 4.194 20 30 DIEDHM C=CCC1(CNC(=O)c2cc3sccc3c([O-])c2)CCCC1 ZINC001467992143 1062242788 /nfs/dbraw/zinc/24/27/88/1062242788.db2.gz PHLSHIOFCFWQFW-UHFFFAOYSA-N -1 3 315.438 4.473 20 30 DIEDHM C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc([O-])c1Cl ZINC001474591340 1062306599 /nfs/dbraw/zinc/30/65/99/1062306599.db2.gz GKKPAKHGMIKBAG-GFCCVEGCSA-N -1 3 300.789 4.110 20 30 DIEDHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccccc1F ZINC001472619879 1063108052 /nfs/dbraw/zinc/10/80/52/1063108052.db2.gz IMLZZBCSVUQTCH-NSHDSACASA-N -1 3 307.752 4.001 20 30 DIEDHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccccc1F ZINC001472619878 1063109605 /nfs/dbraw/zinc/10/96/05/1063109605.db2.gz IMLZZBCSVUQTCH-LLVKDONJSA-N -1 3 307.752 4.001 20 30 DIEDHM CC(C)C(C)(C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001472617989 1063110370 /nfs/dbraw/zinc/11/03/70/1063110370.db2.gz TYXWESVGJGFOTN-UHFFFAOYSA-N -1 3 304.217 4.393 20 30 DIEDHM CCCCCCN([O-])C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC001472619532 1063110594 /nfs/dbraw/zinc/11/05/94/1063110594.db2.gz PEFVTAHXKCQICZ-UHFFFAOYSA-N -1 3 313.825 4.296 20 30 DIEDHM CC(C)n1cccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001472622083 1063111292 /nfs/dbraw/zinc/11/12/92/1063111292.db2.gz FGJBBHJJCVMXNW-UHFFFAOYSA-N -1 3 308.381 4.254 20 30 DIEDHM CC(C)[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC001472623369 1063112795 /nfs/dbraw/zinc/11/27/95/1063112795.db2.gz ZSLCACPEVRDSCW-KRWDZBQOSA-N -1 3 319.351 4.122 20 30 DIEDHM CSc1cc(Cl)ccc1[N-]C(=O)c1sccc1C#N ZINC001461508698 1063546824 /nfs/dbraw/zinc/54/68/24/1063546824.db2.gz VFXSNECWPXMLKL-UHFFFAOYSA-N -1 3 308.815 4.247 20 30 DIEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC001297411098 1064978870 /nfs/dbraw/zinc/97/88/70/1064978870.db2.gz WONOGCDBPVXENQ-UHFFFAOYSA-N -1 3 315.800 4.264 20 30 DIEDHM CCCCCCCCOCC(=O)Nc1c([O-])cccc1Cl ZINC001298549735 1065009472 /nfs/dbraw/zinc/00/94/72/1065009472.db2.gz BJOKTFJGWDDDDD-UHFFFAOYSA-N -1 3 313.825 4.361 20 30 DIEDHM CSCc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001306894901 1065198514 /nfs/dbraw/zinc/19/85/14/1065198514.db2.gz SBDCWXWBXNZWTO-UHFFFAOYSA-N -1 3 321.829 4.235 20 30 DIEDHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306893801 1065198726 /nfs/dbraw/zinc/19/87/26/1065198726.db2.gz PLMONEHHNPXGCD-COPLHBTASA-N -1 3 314.212 4.147 20 30 DIEDHM Cc1ccc(SCC(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001306894993 1065199155 /nfs/dbraw/zinc/19/91/55/1065199155.db2.gz UPGUMTCTFCPXRU-UHFFFAOYSA-N -1 3 321.829 4.159 20 30 DIEDHM C[C@@H](Cc1ccc(F)cc1)C(=O)N([O-])Cc1ccccc1Cl ZINC001306894357 1065199448 /nfs/dbraw/zinc/19/94/48/1065199448.db2.gz KEMQEWUAWWVVHK-LBPRGKRZSA-N -1 3 321.779 4.076 20 30 DIEDHM CCCc1[nH]ccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001306901290 1065200484 /nfs/dbraw/zinc/20/04/84/1065200484.db2.gz ZUTIJXNLPRRHEU-UHFFFAOYSA-N -1 3 308.381 4.152 20 30 DIEDHM N#Cc1ccsc1[N-]C(=O)c1cc2cc(Cl)ccc2o1 ZINC000019202270 182107583 /nfs/dbraw/zinc/10/75/83/182107583.db2.gz JBKXCLVGMOHPAE-UHFFFAOYSA-N -1 3 302.742 4.272 20 30 DIEDHM C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc(Cl)ccc1[O-] ZINC000273344737 130109721 /nfs/dbraw/zinc/10/97/21/130109721.db2.gz AJXRDGNILJPXSZ-LBPRGKRZSA-N -1 3 312.800 4.257 20 30 DIEDHM N#Cc1c([N-]C(=O)c2sccc2Cl)sc2c1CCCC2 ZINC000288122124 131313054 /nfs/dbraw/zinc/31/30/54/131313054.db2.gz LRNFRBHFDRWJKG-UHFFFAOYSA-N -1 3 322.842 4.466 20 30 DIEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ccc(Cl)o2)s1 ZINC000297684436 132029346 /nfs/dbraw/zinc/02/93/46/132029346.db2.gz GVARDMRDDUCOST-UHFFFAOYSA-N -1 3 308.790 4.416 20 30 DIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cscn3)c(C#N)c2[C@@H]1C ZINC000298007322 132044328 /nfs/dbraw/zinc/04/43/28/132044328.db2.gz ZGCQSPOTYCANPP-RKDXNWHRSA-N -1 3 317.439 4.014 20 30 DIEDHM C=C(C)[C@@H](Cc1nc(-c2ccc([O-])c3ccccc23)no1)OCC ZINC000293342058 335107303 /nfs/dbraw/zinc/10/73/03/335107303.db2.gz DYRXSAXRVHYAAY-QGZVFWFLSA-N -1 3 324.380 4.119 20 30 DIEDHM N#CCCSc1ccccc1[N-]C(=O)c1ccc(Cl)o1 ZINC000108201581 333174000 /nfs/dbraw/zinc/17/40/00/333174000.db2.gz WVNQXZUTVBHODY-UHFFFAOYSA-N -1 3 306.774 4.191 20 30 DIEDHM CC(C)(C)c1csc([N-]C(=O)c2cc(C#N)cs2)c1C#N ZINC000410924303 333608844 /nfs/dbraw/zinc/60/88/44/333608844.db2.gz DIJRSPWJZYXKJG-UHFFFAOYSA-N -1 3 315.423 4.103 20 30 DIEDHM CC(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccco3)sc2C1 ZINC000411007137 333620022 /nfs/dbraw/zinc/62/00/22/333620022.db2.gz LMMLQWSIIPWRRB-NSHDSACASA-N -1 3 314.410 4.226 20 30 DIEDHM Cc1csc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1Cl ZINC000331070218 334833089 /nfs/dbraw/zinc/83/30/89/334833089.db2.gz CHTIKQRJLULXEM-UHFFFAOYSA-N -1 3 315.851 4.495 20 30 DIEDHM Cc1ccc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c([O-])c1 ZINC000331238968 334849792 /nfs/dbraw/zinc/84/97/92/334849792.db2.gz NZSZELTUEPVIRI-UHFFFAOYSA-N -1 3 315.417 4.412 20 30 DIEDHM Cc1csc([N-]C(=O)c2nc(-c3ccccc3)oc2C)c1C#N ZINC000344901132 335284221 /nfs/dbraw/zinc/28/42/21/335284221.db2.gz QYFTUPWABQSXFQ-UHFFFAOYSA-N -1 3 323.377 4.144 20 30 DIEDHM Cc1c(Cl)cc(F)c([N-]C(=O)c2sccc2C#N)c1F ZINC000535637692 335701021 /nfs/dbraw/zinc/70/10/21/335701021.db2.gz HGRGCUWZNNTHHJ-UHFFFAOYSA-N -1 3 312.728 4.112 20 30 DIEDHM C[C@H]1Cc2sc([N-]C(=O)c3ccsn3)c(C#N)c2[C@@H](C)C1 ZINC000583679669 336397329 /nfs/dbraw/zinc/39/73/29/336397329.db2.gz VGXCEBWIRUKUQR-BDAKNGLRSA-N -1 3 317.439 4.014 20 30 DIEDHM N#CCCSc1ccccc1[N-]C(=O)c1cc(F)ccc1F ZINC000078568787 337602020 /nfs/dbraw/zinc/60/20/20/337602020.db2.gz UEGPBVRLHNBUJX-UHFFFAOYSA-N -1 3 318.348 4.223 20 30 DIEDHM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc([O-])c1 ZINC000431268470 338127014 /nfs/dbraw/zinc/12/70/14/338127014.db2.gz CXXCIFASRCXLKF-UHFFFAOYSA-N -1 3 308.362 4.039 20 30 DIEDHM C=CCOc1cccc(C=C(CC)c2nc(CCC)cc(=O)[n-]2)c1 ZINC000435339326 338237504 /nfs/dbraw/zinc/23/75/04/338237504.db2.gz RYWJQDAKZPYFMH-VBKFSLOCSA-N -1 3 324.424 4.238 20 30 DIEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C#N)cc2F)CC)n1 ZINC000435341071 338237591 /nfs/dbraw/zinc/23/75/91/338237591.db2.gz RMYWRQVKQKAPLB-UKTHLTGXSA-N -1 3 311.360 4.096 20 30 DIEDHM C=CC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436554961 338276871 /nfs/dbraw/zinc/27/68/71/338276871.db2.gz LAHLJGUIZXYKRU-UHFFFAOYSA-N -1 3 323.392 4.223 20 30 DIEDHM C=CCCO[C@@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436612263 338279887 /nfs/dbraw/zinc/27/98/87/338279887.db2.gz MCVAUIXKQZTGCC-LBPRGKRZSA-N -1 3 310.353 4.249 20 30 DIEDHM CCc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)c([O-])c1 ZINC000436922988 338293732 /nfs/dbraw/zinc/29/37/32/338293732.db2.gz ALFGNMNNHNUSFJ-GOSISDBHSA-N -1 3 322.408 4.120 20 30 DIEDHM C=CCCC[C@@H](C)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450428862 338683338 /nfs/dbraw/zinc/68/33/38/338683338.db2.gz XRVSMJLYKATQCQ-OAHLLOKOSA-N -1 3 311.425 4.339 20 30 DIEDHM C=CCC(C)(C)CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000452137070 338754961 /nfs/dbraw/zinc/75/49/61/338754961.db2.gz BSGATRNKHYCLMA-UHFFFAOYSA-N -1 3 311.425 4.197 20 30 DIEDHM C=C(C)C[C@@H](C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000452763320 338778273 /nfs/dbraw/zinc/77/82/73/338778273.db2.gz ZEXKYQRRHXDYEE-SECBINFHSA-N -1 3 312.207 4.004 20 30 DIEDHM N#Cc1ccsc1C(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000466571170 339209475 /nfs/dbraw/zinc/20/94/75/339209475.db2.gz BGGJWOQQFPHGOM-UHFFFAOYSA-N -1 3 315.156 4.318 20 30 DIEDHM C=CCn1c(=O)[n-]nc1SC(c1ccccc1)c1ccccc1 ZINC000470819830 339328831 /nfs/dbraw/zinc/32/88/31/339328831.db2.gz GZLHNWPMRMQYPO-UHFFFAOYSA-N -1 3 323.421 4.051 20 30 DIEDHM C=CCn1c(S[C@H](C)c2ccc3ccccc3c2)n[n-]c1=O ZINC000470839705 339329000 /nfs/dbraw/zinc/32/90/00/339329000.db2.gz KSVDXFNSGISGCG-GFCCVEGCSA-N -1 3 311.410 4.176 20 30 DIEDHM Cc1cc(C)cc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000483207828 339656272 /nfs/dbraw/zinc/65/62/72/339656272.db2.gz VKVUONJKEGZYBT-GOSISDBHSA-N -1 3 300.361 4.342 20 30 DIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC(C)(C)C)cc2)n1 ZINC000080378391 341273317 /nfs/dbraw/zinc/27/33/17/341273317.db2.gz PLTJIEPAXYWRHB-AWEZNQCLSA-N -1 3 314.410 4.119 20 30 DIEDHM Cc1csc([N-]C(=O)c2ccc(-c3ccccc3)o2)c1C#N ZINC000565563083 341531178 /nfs/dbraw/zinc/53/11/78/341531178.db2.gz GFSVBONDMBXTBB-UHFFFAOYSA-N -1 3 308.362 4.441 20 30 DIEDHM CCc1ncc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)s1 ZINC000567566715 341616972 /nfs/dbraw/zinc/61/69/72/341616972.db2.gz SHAWTZYVMCUAAH-UHFFFAOYSA-N -1 3 319.455 4.188 20 30 DIEDHM CC(C)(C)c1csc([N-]C(=O)c2ocnc2C2CC2)c1C#N ZINC000576682935 341858332 /nfs/dbraw/zinc/85/83/32/341858332.db2.gz WMYUYBOSUOIXGG-UHFFFAOYSA-N -1 3 315.398 4.035 20 30 DIEDHM CCCc1nc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)co1 ZINC000297642287 535484784 /nfs/dbraw/zinc/48/47/84/535484784.db2.gz CUYJAZPTLRFFCR-UHFFFAOYSA-N -1 3 317.414 4.110 20 30 DIEDHM N#CC(=C([O-])c1cccc(C2CC2)c1)c1nc(C2CC2)cs1 ZINC000654999500 1035672321 /nfs/dbraw/zinc/67/23/21/1035672321.db2.gz NDORWXIZBGNYFO-OAHLLOKOSA-N -1 3 308.406 4.388 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccccc2Br)ccc1[O-] ZINC000728230725 1036156156 /nfs/dbraw/zinc/15/61/56/1036156156.db2.gz GPQHVVPVGUNBRC-TWGQIWQCSA-N -1 3 317.182 4.359 20 30 DIEDHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)c(Cl)c1 ZINC000728231710 1036169685 /nfs/dbraw/zinc/16/96/85/1036169685.db2.gz NXZHZGRSOITNAV-XBXARRHUSA-N -1 3 302.757 4.259 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccc(OC(F)F)cc2)ccc1[O-] ZINC000728231265 1036185055 /nfs/dbraw/zinc/18/50/55/1036185055.db2.gz KZNNEJGQAQKIFO-YWEYNIOJSA-N -1 3 304.292 4.198 20 30 DIEDHM COc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)ccc1SC ZINC000728232892 1036191107 /nfs/dbraw/zinc/19/11/07/1036191107.db2.gz XPJJCVZBUGWYTQ-QPJJXVBHSA-N -1 3 314.406 4.327 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2csc(-c3ccccn3)n2)ccc1[O-] ZINC000728232796 1036197648 /nfs/dbraw/zinc/19/76/48/1036197648.db2.gz WRIIMPUPXZRQGL-SOFGYWHQSA-N -1 3 322.389 4.115 20 30 DIEDHM CCOC(=O)Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255310418 1037681847 /nfs/dbraw/zinc/68/18/47/1037681847.db2.gz DVXJURVBHPCCGV-UHFFFAOYSA-N -1 3 318.760 4.365 20 30 DIEDHM N#CC(=C([O-])c1cc2[nH]ccc2s1)c1ccc2ccccc2n1 ZINC000684629618 1038414401 /nfs/dbraw/zinc/41/44/01/1038414401.db2.gz ACCCTWGAIZAWGV-GFCCVEGCSA-N -1 3 317.373 4.268 20 30 DIEDHM CC(N=Nc1ncc(Cl)cc1Cl)c1ccc([O-])c(F)c1 ZINC000728428297 1038457535 /nfs/dbraw/zinc/45/75/35/1038457535.db2.gz ULTMKNNPTLRZNB-UHFFFAOYSA-N -1 3 314.147 4.069 20 30 DIEDHM C=C[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000535439500 1039213087 /nfs/dbraw/zinc/21/30/87/1039213087.db2.gz BTDRQJVPAHQTNT-LBPRGKRZSA-N -1 3 301.773 4.344 20 30 DIEDHM N#CC(=C([O-])C=CSc1ccccc1)c1nc2ccccc2[nH]1 ZINC000255573672 1039410780 /nfs/dbraw/zinc/41/07/80/1039410780.db2.gz BECPVLOOVUFZOG-IWMPZKFUSA-N -1 3 319.389 4.045 20 30 DIEDHM C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(F)cc1[O-] ZINC000170789554 1039830901 /nfs/dbraw/zinc/83/09/01/1039830901.db2.gz JIWDCLRYDLXOEX-CYBMUJFWSA-N -1 3 314.360 4.387 20 30 DIEDHM COc1cc(/C=C2/Cc3ccc(F)cc3C2=O)cc(Cl)c1[O-] ZINC000176409894 1039922679 /nfs/dbraw/zinc/92/26/79/1039922679.db2.gz MGPYLBKNQHFJDL-WCIBSUBMSA-N -1 3 318.731 4.016 20 30 DIEDHM N#CC(=C([O-])c1ccc(Cl)s1)c1ccc2ccccc2n1 ZINC000613290995 1040038174 /nfs/dbraw/zinc/03/81/74/1040038174.db2.gz QSTPHZOQZFDRPN-LLVKDONJSA-N -1 3 312.781 4.440 20 30 DIEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC2)c1nc(C2CC2)cs1 ZINC000647372621 1040352911 /nfs/dbraw/zinc/35/29/11/1040352911.db2.gz QRQDXPNOPVGXTO-INIZCTEOSA-N -1 3 322.433 4.389 20 30 DIEDHM N#CC(=C([O-])c1ccc2c(c1)CCC=C2)c1nc(C2CC2)cs1 ZINC000647379864 1040386999 /nfs/dbraw/zinc/38/69/99/1040386999.db2.gz SMDQOZIFZQUWJU-INIZCTEOSA-N -1 3 320.417 4.470 20 30 DIEDHM N#CC(=C([O-])c1cccc2c1CCCC2)c1nc(C2CC2)cs1 ZINC000647380237 1040388754 /nfs/dbraw/zinc/38/87/54/1040388754.db2.gz WAZFAMQDKWZKNG-INIZCTEOSA-N -1 3 322.433 4.389 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\CCCCOCc1ccccc1 ZINC000747614809 1041412506 /nfs/dbraw/zinc/41/25/06/1041412506.db2.gz NUQUFGJJFVIIQX-MOSHPQCFSA-N -1 3 317.816 4.462 20 30 DIEDHM N#CC(=C([O-])C1=CCCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813216908 1041681788 /nfs/dbraw/zinc/68/17/88/1041681788.db2.gz HSLJWLUISMRLNH-CYBMUJFWSA-N -1 3 308.303 4.167 20 30 DIEDHM N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc([O-])c1Cl ZINC000418152180 1041731621 /nfs/dbraw/zinc/73/16/21/1041731621.db2.gz YDMBNQIQYIEQHE-MRXNPFEDSA-N -1 3 312.800 4.084 20 30 DIEDHM N#CCC[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC000816558058 1042067531 /nfs/dbraw/zinc/06/75/31/1042067531.db2.gz LUDLEQYPVBUPNC-INIZCTEOSA-N -1 3 318.779 4.319 20 30 DIEDHM CCc1cccc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000094039120 1042111302 /nfs/dbraw/zinc/11/13/02/1042111302.db2.gz OZXUESFMVGLZSF-AWEZNQCLSA-N -1 3 322.408 4.050 20 30 DIEDHM CCCCOc1cccc(F)c1Nc1ccc([O-])c(C#N)c1 ZINC001211794775 1042452631 /nfs/dbraw/zinc/45/26/31/1042452631.db2.gz HWFWAHLMIXRUIS-UHFFFAOYSA-N -1 3 300.333 4.325 20 30 DIEDHM Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(C)s1 ZINC000047375967 1042477891 /nfs/dbraw/zinc/47/78/91/1042477891.db2.gz XPZBQRNJPJIWQI-HNNXBMFYSA-N -1 3 306.390 4.403 20 30 DIEDHM CCOc1cc(CNc2ccc(CC#N)cc2)cc(Cl)c1[O-] ZINC000513600277 1042553802 /nfs/dbraw/zinc/55/38/02/1042553802.db2.gz YQJKXTXSXMXVKN-UHFFFAOYSA-N -1 3 316.788 4.122 20 30 DIEDHM CC(C)(C#N)CCCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419580101 1042588525 /nfs/dbraw/zinc/58/85/25/1042588525.db2.gz AUIRYOLXKILRNV-UHFFFAOYSA-N -1 3 305.447 4.013 20 30 DIEDHM CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000425139763 1042778623 /nfs/dbraw/zinc/77/86/23/1042778623.db2.gz ZLSWKGNKZOFEJV-AWEZNQCLSA-N -1 3 322.408 4.220 20 30 DIEDHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc(F)ccc1[O-] ZINC000330486808 1043090348 /nfs/dbraw/zinc/09/03/48/1043090348.db2.gz DSCFTOJDSPHYLU-UHFFFAOYSA-N -1 3 308.378 4.230 20 30 DIEDHM CCC(CC)c1cc(CN[C@@H](C)c2cccc(C#N)c2[O-])on1 ZINC000866273481 1043168760 /nfs/dbraw/zinc/16/87/60/1043168760.db2.gz NKHVIUOICGLAQD-LBPRGKRZSA-N -1 3 313.401 4.006 20 30 DIEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cc2c(s1)CCC2 ZINC000794940662 1043231209 /nfs/dbraw/zinc/23/12/09/1043231209.db2.gz CGNANIMIOLEXRC-GQCTYLIASA-N -1 3 306.333 4.117 20 30 DIEDHM Cc1cccc2c1[C@H](C)/C(=C/c1c(F)ccc([O-])c1F)C2=O ZINC000794944454 1043241401 /nfs/dbraw/zinc/24/14/01/1043241401.db2.gz BSDYSXZZRONGSQ-BKLZJWBFSA-N -1 3 300.304 4.362 20 30 DIEDHM O=C1c2cccc3c2[C@H](CCC3)/C1=C\c1c(F)ccc([O-])c1F ZINC000794947242 1043246705 /nfs/dbraw/zinc/24/67/05/1043246705.db2.gz UAXAQGUECQBHRG-VSXLWIIGSA-N -1 3 312.315 4.370 20 30 DIEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc(Cl)c(F)c1 ZINC000794947546 1043247392 /nfs/dbraw/zinc/24/73/92/1043247392.db2.gz XXFDVLCLCFAWEG-DJWKRKHSSA-N -1 3 312.674 4.359 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2ccc(C(F)F)o2)c1C#N ZINC000875298254 1043621089 /nfs/dbraw/zinc/62/10/89/1043621089.db2.gz VMEBPANKGQHSMP-UHFFFAOYSA-N -1 3 310.325 4.274 20 30 DIEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC000880231358 1044021454 /nfs/dbraw/zinc/02/14/54/1044021454.db2.gz ONOYNYVTJDSCEN-NSHDSACASA-N -1 3 309.435 4.209 20 30 DIEDHM C=CCN(Cc1ccc(C(=O)[O-])cc1F)CC1CCCCC1 ZINC000565601496 1044445323 /nfs/dbraw/zinc/44/53/23/1044445323.db2.gz YAIDVERIWYOFNC-UHFFFAOYSA-N -1 3 305.393 4.092 20 30 DIEDHM Cc1cc(F)ccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362136723 1044481208 /nfs/dbraw/zinc/48/12/08/1044481208.db2.gz XXDIRQPCLPGTEU-CYBMUJFWSA-N -1 3 322.261 4.038 20 30 DIEDHM C=CC[C@@H]1N(C(=O)c2cc([O-])ccc2Cl)CCCC1(C)C ZINC001297187110 1044661782 /nfs/dbraw/zinc/66/17/82/1044661782.db2.gz WWAPSKLYHMHCKX-HNNXBMFYSA-N -1 3 307.821 4.253 20 30 DIEDHM Cc1ccc(C)c(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)c1 ZINC001202757222 1044798930 /nfs/dbraw/zinc/79/89/30/1044798930.db2.gz HLOLAKMEZYONLL-UHFFFAOYSA-N -1 3 312.373 4.105 20 30 DIEDHM N#CC(=C([O-])c1ccc2ccccc2n1)c1ccc2ccccc2n1 ZINC000047376054 1045051536 /nfs/dbraw/zinc/05/15/36/1045051536.db2.gz DGESVPKPNIYRGG-INIZCTEOSA-N -1 3 323.355 4.273 20 30 DIEDHM O=C(c1cnc(C2CC2)s1)N([O-])Cc1cccc2ccccc21 ZINC001119556669 1045518101 /nfs/dbraw/zinc/51/81/01/1045518101.db2.gz UQADFQSVHDGFPG-UHFFFAOYSA-N -1 3 324.405 4.205 20 30 DIEDHM O=C(CC(C1CC1)C1CC1)N([O-])Cc1cccc2ccccc21 ZINC001119615127 1045519736 /nfs/dbraw/zinc/51/97/36/1045519736.db2.gz HBLVTMUBEQIEMJ-UHFFFAOYSA-N -1 3 309.409 4.384 20 30 DIEDHM N#CC(=C([O-])c1cc2c(s1)CCCCC2)c1cccc(F)n1 ZINC001122714356 1045569384 /nfs/dbraw/zinc/56/93/84/1045569384.db2.gz KLIRQMJALCDREN-GFCCVEGCSA-N -1 3 314.385 4.041 20 30 DIEDHM CC(C)[C@@H](C/N=C/c1cc(Cl)ccc1[O-])c1cccnc1 ZINC000751292009 1045597901 /nfs/dbraw/zinc/59/79/01/1045597901.db2.gz QNPAPZXHMKQGFF-OVEPSTSESA-N -1 3 302.805 4.299 20 30 DIEDHM O=C(CCc1ccccc1)N([O-])Cc1cccc2ccccc21 ZINC000900091624 1045602408 /nfs/dbraw/zinc/60/24/08/1045602408.db2.gz DRUAWNMWCIHBRA-UHFFFAOYSA-N -1 3 305.377 4.190 20 30 DIEDHM CCc1ccc(C(=O)N(O)Cc2cccc3ccccc32)c([O-])c1 ZINC000900091551 1045602574 /nfs/dbraw/zinc/60/25/74/1045602574.db2.gz AVVGPEQAJSCRJE-UHFFFAOYSA-N -1 3 321.376 4.139 20 30 DIEDHM O=C(CCc1ccccc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096910 1045606648 /nfs/dbraw/zinc/60/66/48/1045606648.db2.gz UNKQZPGCKFVBHK-UHFFFAOYSA-N -1 3 324.207 4.344 20 30 DIEDHM N#CC(=C([O-])c1cccc2ccccc21)c1cnc2ccccc2n1 ZINC000190909956 1045630140 /nfs/dbraw/zinc/63/01/40/1045630140.db2.gz LKRKLUPXGKRMGA-KRWDZBQOSA-N -1 3 323.355 4.273 20 30 DIEDHM O=C(CCc1cccs1)N([O-])Cc1cccc2ccccc21 ZINC000901370277 1045710169 /nfs/dbraw/zinc/71/01/69/1045710169.db2.gz DIVXQXBPZDXBAR-UHFFFAOYSA-N -1 3 311.406 4.252 20 30 DIEDHM Cc1ccc(CCC(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC000901370476 1045710852 /nfs/dbraw/zinc/71/08/52/1045710852.db2.gz ISHZPQVLKHXZMI-UHFFFAOYSA-N -1 3 319.404 4.499 20 30 DIEDHM Cc1cc(CCCC(=O)N([O-])Cc2ccc(F)cc2)c(C)s1 ZINC000901372178 1045712169 /nfs/dbraw/zinc/71/21/69/1045712169.db2.gz UCEZELRHYYZKPB-UHFFFAOYSA-N -1 3 321.417 4.245 20 30 DIEDHM C[C@H](CCC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901371427 1045712317 /nfs/dbraw/zinc/71/23/17/1045712317.db2.gz BSFRFJBCCSORHX-CQSZACIVSA-N -1 3 301.361 4.127 20 30 DIEDHM CCOCCCCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371496 1045712409 /nfs/dbraw/zinc/71/24/09/1045712409.db2.gz UFHQBNLDEICOLF-UHFFFAOYSA-N -1 3 315.413 4.155 20 30 DIEDHM CSc1cc(C(=O)N([O-])Cc2cccc3ccccc32)co1 ZINC000901370802 1045713503 /nfs/dbraw/zinc/71/35/03/1045713503.db2.gz GVVHBARVCDYNDD-UHFFFAOYSA-N -1 3 313.378 4.186 20 30 DIEDHM Cc1ccc(CCCCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901374491 1045714165 /nfs/dbraw/zinc/71/41/65/1045714165.db2.gz KNMSBEYTECMVMP-UHFFFAOYSA-N -1 3 315.388 4.265 20 30 DIEDHM CCC[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901375642 1045714745 /nfs/dbraw/zinc/71/47/45/1045714745.db2.gz IHLIOFRBVSXHJT-QGZVFWFLSA-N -1 3 301.361 4.127 20 30 DIEDHM CC[C@@H](C)[C@@H](C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378255 1045714993 /nfs/dbraw/zinc/71/49/93/1045714993.db2.gz JPXNXKBFBVYMGQ-NXEZZACHSA-N -1 3 304.217 4.393 20 30 DIEDHM Cc1cc2occ(C(=O)N([O-])Cc3ccc(F)cc3)c2cc1C ZINC000901373086 1045715315 /nfs/dbraw/zinc/71/53/15/1045715315.db2.gz SETRKEANBZIFJO-UHFFFAOYSA-N -1 3 313.328 4.220 20 30 DIEDHM O=C(Cc1csc2ccccc12)N([O-])Cc1ccc(F)cc1 ZINC000901376625 1045715718 /nfs/dbraw/zinc/71/57/18/1045715718.db2.gz WIVMXVRDBBZZFR-UHFFFAOYSA-N -1 3 315.369 4.001 20 30 DIEDHM O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378548 1045716114 /nfs/dbraw/zinc/71/61/14/1045716114.db2.gz IVKZRXOSTRMOHQ-HONMWMINSA-N -1 3 314.212 4.147 20 30 DIEDHM O=C(c1cccc(F)c1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379631 1045716473 /nfs/dbraw/zinc/71/64/73/1045716473.db2.gz MDFAWMQFNYHFEX-UHFFFAOYSA-N -1 3 314.143 4.164 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2cnc(-c3ccncc3)s2)ccc1[O-] ZINC000753144161 1045730412 /nfs/dbraw/zinc/73/04/12/1045730412.db2.gz KHLXPMYKHDAJJH-HWKANZROSA-N -1 3 322.389 4.115 20 30 DIEDHM COc1cc(C(=O)/C=C\c2cc(Cl)ccc2F)ccc1[O-] ZINC000753709007 1045792854 /nfs/dbraw/zinc/79/28/54/1045792854.db2.gz FJPFBGJMWCIVFB-KXFIGUGUSA-N -1 3 306.720 4.089 20 30 DIEDHM COc1ccc(C(=O)[N-]c2sc(-c3ccccc3)cc2C#N)o1 ZINC001125245552 1045881678 /nfs/dbraw/zinc/88/16/78/1045881678.db2.gz VUIZYMNOQYJGGD-UHFFFAOYSA-N -1 3 324.361 4.141 20 30 DIEDHM C#CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccccc1 ZINC001137622746 1045909005 /nfs/dbraw/zinc/90/90/05/1045909005.db2.gz WPRYGNZOIIBOES-SFHVURJKSA-N -1 3 307.393 4.010 20 30 DIEDHM C=C[C@@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902544209 1046016860 /nfs/dbraw/zinc/01/68/60/1046016860.db2.gz CTFJYLFIVOUQTQ-CQSZACIVSA-N -1 3 311.381 4.185 20 30 DIEDHM C=C[C@H]1CCCCN1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902545082 1046019170 /nfs/dbraw/zinc/01/91/70/1046019170.db2.gz PNRAQWLGKIKSGO-INIZCTEOSA-N -1 3 311.381 4.185 20 30 DIEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)cc2C)n1 ZINC000453590527 1046096828 /nfs/dbraw/zinc/09/68/28/1046096828.db2.gz OWPSQTLLGXMCNJ-LBPRGKRZSA-N -1 3 324.327 4.269 20 30 DIEDHM CCc1ccccc1[N-][NH+]=C(C)c1ccc(N2CCCC2)cc1[O-] ZINC000748250770 1046358209 /nfs/dbraw/zinc/35/82/09/1046358209.db2.gz PQQHZYUFHFSBKV-UHFFFAOYSA-N -1 3 323.440 4.391 20 30 DIEDHM Cc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1F ZINC000041554095 1046452848 /nfs/dbraw/zinc/45/28/48/1046452848.db2.gz JQKIILLGXQREFQ-GFCCVEGCSA-N -1 3 322.261 4.038 20 30 DIEDHM C=CC[C@H]1N(C(=O)c2cccc(CC)c2[O-])CCCC1(C)C ZINC001139510746 1046458586 /nfs/dbraw/zinc/45/85/86/1046458586.db2.gz DLLVPOJUUYSDTP-MRXNPFEDSA-N -1 3 301.430 4.162 20 30 DIEDHM COc1ccc(NN=C(C)c2ccc([O-])cc2F)cc1Cl ZINC000782229740 1046507638 /nfs/dbraw/zinc/50/76/38/1046507638.db2.gz BBNNKFHNAMEVLV-UHFFFAOYSA-N -1 3 308.740 4.029 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2Cl)ccc1[O-] ZINC000783708531 1046625064 /nfs/dbraw/zinc/62/50/64/1046625064.db2.gz ZBFNYEHBZXDNIR-XVNBXDOJSA-N -1 3 317.728 4.158 20 30 DIEDHM C[C@]1(C#N)CCCN(Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000784013494 1046651089 /nfs/dbraw/zinc/65/10/89/1046651089.db2.gz JCNZMVRSSJVRLK-HXUWFJFHSA-N -1 3 320.392 4.417 20 30 DIEDHM COc1cc(C(=O)/C=C/c2ccc(SC)s2)ccc1[O-] ZINC000798232398 1046940717 /nfs/dbraw/zinc/94/07/17/1046940717.db2.gz UBOXKKYPCRYEQI-QPJJXVBHSA-N -1 3 306.408 4.080 20 30 DIEDHM C=CCN(CC=C)Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001141357641 1047103573 /nfs/dbraw/zinc/10/35/73/1047103573.db2.gz YAQLZOOSUIAJPV-UHFFFAOYSA-N -1 3 307.393 4.226 20 30 DIEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000839065240 1047192210 /nfs/dbraw/zinc/19/22/10/1047192210.db2.gz ZMNYYOVNCZORJF-SCZZXKLOSA-N -1 3 308.790 4.122 20 30 DIEDHM CN(Cc1cc2oc3ccccc3c2cc1[O-])CC(C)(C)C#N ZINC000840072634 1047287248 /nfs/dbraw/zinc/28/72/48/1047287248.db2.gz IHHABTBGSKVCMA-UHFFFAOYSA-N -1 3 308.381 4.273 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2coc(-c3ccccc3)n2)ccc1[O-] ZINC000749890986 1047442590 /nfs/dbraw/zinc/44/25/90/1047442590.db2.gz FSJAQJCCTOOMLU-CSKARUKUSA-N -1 3 305.333 4.252 20 30 DIEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc2ccccc2s1 ZINC001149805308 1047570568 /nfs/dbraw/zinc/57/05/68/1047570568.db2.gz GMXANDBRBJPLNW-UHFFFAOYSA-N -1 3 314.316 4.303 20 30 DIEDHM CC(C)c1cccc2cc(C(=O)Nc3ccc([O-])c(C#N)c3)[nH]c21 ZINC001154098988 1047639651 /nfs/dbraw/zinc/63/96/51/1047639651.db2.gz NPBDXQWGZVXBOC-UHFFFAOYSA-N -1 3 319.364 4.121 20 30 DIEDHM CC#CCCCCCCCC(=O)Nc1c([O-])cccc1C(C)=O ZINC001182769606 1047843891 /nfs/dbraw/zinc/84/38/91/1047843891.db2.gz MYQXEXZWPBGHNR-UHFFFAOYSA-N -1 3 315.413 4.287 20 30 DIEDHM CCCCCCCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC001182930449 1047869970 /nfs/dbraw/zinc/86/99/70/1047869970.db2.gz BQOBKAILWDKOJU-UHFFFAOYSA-N -1 3 304.394 4.062 20 30 DIEDHM O=C(c1cscc1Cl)N([O-])Cc1ccccc1Cl ZINC001184283062 1048023370 /nfs/dbraw/zinc/02/33/70/1048023370.db2.gz BJNLBXKONPJZFJ-UHFFFAOYSA-N -1 3 302.182 4.087 20 30 DIEDHM CC(C)[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001184283808 1048026545 /nfs/dbraw/zinc/02/65/45/1048026545.db2.gz QZEOINCJYLYIMD-QGZVFWFLSA-N -1 3 317.816 4.498 20 30 DIEDHM C[C@H](CC(=O)N([O-])Cc1ccccc1Cl)c1cccc(F)c1 ZINC001184283373 1048026887 /nfs/dbraw/zinc/02/68/87/1048026887.db2.gz HNIXJFHQGDRZOT-GFCCVEGCSA-N -1 3 321.779 4.391 20 30 DIEDHM CCc1cccc(CC(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001184341177 1048032253 /nfs/dbraw/zinc/03/22/53/1048032253.db2.gz VKLONJFZXIXHBO-UHFFFAOYSA-N -1 3 319.404 4.363 20 30 DIEDHM O=C([C@H]1CCC[C@@H]1c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001184348574 1048033020 /nfs/dbraw/zinc/03/30/20/1048033020.db2.gz PXKLRFWZADWTDH-MSOLQXFVSA-N -1 3 313.372 4.127 20 30 DIEDHM O=C([C@H]1CCC[C@H]1c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001184348576 1048033506 /nfs/dbraw/zinc/03/35/06/1048033506.db2.gz PXKLRFWZADWTDH-ROUUACIJSA-N -1 3 313.372 4.127 20 30 DIEDHM Cc1noc([N-]C(=O)Nc2c(C)cccc2C(C)(C)C)c1C#N ZINC001184573210 1048059419 /nfs/dbraw/zinc/05/94/19/1048059419.db2.gz VPELYMGRMWREEE-UHFFFAOYSA-N -1 3 312.373 4.105 20 30 DIEDHM CCCCCCN([O-])C(=O)c1ccc(Oc2ccccc2)o1 ZINC001161826455 1048179277 /nfs/dbraw/zinc/17/92/77/1048179277.db2.gz ANSDWYFTNGVQQZ-UHFFFAOYSA-N -1 3 303.358 4.484 20 30 DIEDHM CCc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)s1 ZINC001161837548 1048183161 /nfs/dbraw/zinc/18/31/61/1048183161.db2.gz NQYVRCJUNMIJAF-UHFFFAOYSA-N -1 3 311.406 4.495 20 30 DIEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccc(Cl)cc1Cl ZINC001202083855 1048444200 /nfs/dbraw/zinc/44/42/00/1048444200.db2.gz ZGPFFJMWQIYFBM-UHFFFAOYSA-N -1 3 322.151 4.215 20 30 DIEDHM CC(C)(C)c1noc([N-]C(=O)Nc2ccc(Cl)cc2)c1C#N ZINC001202367043 1048534579 /nfs/dbraw/zinc/53/45/79/1048534579.db2.gz RWOTYTYBSSLZER-UHFFFAOYSA-N -1 3 318.764 4.141 20 30 DIEDHM C=C[C@H](C)O[N-]C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC001164413716 1048627964 /nfs/dbraw/zinc/62/79/64/1048627964.db2.gz HQYFLOMZGHIGQS-KRWDZBQOSA-N -1 3 323.436 4.100 20 30 DIEDHM N#Cc1cc(Br)ccc1Nc1cc([O-])cc(Cl)c1 ZINC001176625088 1048740102 /nfs/dbraw/zinc/74/01/02/1048740102.db2.gz YBTFVDKMHIECFY-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM CCCCCCCCNC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001191069378 1048837542 /nfs/dbraw/zinc/83/75/42/1048837542.db2.gz KLOWMMKFSHLJAM-UHFFFAOYSA-N -1 3 306.406 4.077 20 30 DIEDHM CC(C)(CC(=O)N([O-])Cc1ccccc1Cl)C(F)(F)F ZINC000904193286 1048999950 /nfs/dbraw/zinc/99/99/50/1048999950.db2.gz NEHIQLYEHHHLIS-UHFFFAOYSA-N -1 3 309.715 4.036 20 30 DIEDHM CC[C@H](CC(F)F)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904173481 1049000814 /nfs/dbraw/zinc/00/08/14/1049000814.db2.gz RIXSIWQXFKBKGK-GFCCVEGCSA-N -1 3 307.340 4.239 20 30 DIEDHM C=CC[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000855436776 1049034087 /nfs/dbraw/zinc/03/40/87/1049034087.db2.gz KLUVCFRHPGJTMP-GFCCVEGCSA-N -1 3 301.411 4.035 20 30 DIEDHM [O-]N=Cc1ccccc1-c1cccc2c1cnn2[C@@H]1CCCCO1 ZINC001204903859 1049306273 /nfs/dbraw/zinc/30/62/73/1049306273.db2.gz BEQLYKFUKMIPRV-IBGZPJMESA-N -1 3 321.380 4.211 20 30 DIEDHM CO[C@H](c1ccccc1F)[C@@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000775631626 1049470911 /nfs/dbraw/zinc/47/09/11/1049470911.db2.gz SSLHVZFGLXJCFB-XQKIYHOTSA-N -1 3 321.779 4.380 20 30 DIEDHM CC(=O)Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1C ZINC000912787452 1049793118 /nfs/dbraw/zinc/79/31/18/1049793118.db2.gz UOYYFMDKQPKVCC-UHFFFAOYSA-N -1 3 302.761 4.063 20 30 DIEDHM N#Cc1ccc(-c2ccccc2Nc2cc([O-])cc(F)c2)nc1 ZINC001208199618 1049984491 /nfs/dbraw/zinc/98/44/91/1049984491.db2.gz NMLKLWZIFRWNSV-UHFFFAOYSA-N -1 3 305.312 4.209 20 30 DIEDHM N#Cc1cc(F)c(F)cc1Nc1ccc([O-])c(C(F)(F)F)c1 ZINC001209987080 1050117408 /nfs/dbraw/zinc/11/74/08/1050117408.db2.gz IRCUNWTWQOPOPC-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM COc1cccc(Nc2cc(Cl)c(Cl)cc2[O-])c1C#N ZINC001210124763 1050140244 /nfs/dbraw/zinc/14/02/44/1050140244.db2.gz KJQUJCTULSIMLM-UHFFFAOYSA-N -1 3 309.152 4.323 20 30 DIEDHM C=CC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccncc1 ZINC001136819994 1050180159 /nfs/dbraw/zinc/18/01/59/1050180159.db2.gz JLOOTUNIJOHJHB-OAHLLOKOSA-N -1 3 324.405 4.049 20 30 DIEDHM Cc1ccc(C#N)cc1Nc1c([O-])cccc1Br ZINC001210501774 1050271564 /nfs/dbraw/zinc/27/15/64/1050271564.db2.gz SRSYYDLWGPUMGS-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM N#Cc1cc(Cl)cc(Nc2ccc(Br)cc2[O-])c1 ZINC001210538070 1050287455 /nfs/dbraw/zinc/28/74/55/1050287455.db2.gz SNXYMTXXZOMADU-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM N#Cc1c(F)cc(F)cc1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210826986 1050383421 /nfs/dbraw/zinc/38/34/21/1050383421.db2.gz QQIQBIGQXQDJJG-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM CC(C)(C)[C@@H]1OCCC[C@H]1C/N=C\c1cc(Cl)ccc1[O-] ZINC000735619855 1050412426 /nfs/dbraw/zinc/41/24/26/1050412426.db2.gz RKNAKERAMJERMU-PWKSUZQOSA-N -1 3 309.837 4.306 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2ccc(C(F)(F)F)nc2Cl)c1 ZINC001211202460 1050516522 /nfs/dbraw/zinc/51/65/22/1050516522.db2.gz VYDGWSFDAPPVHB-UHFFFAOYSA-N -1 3 313.666 4.075 20 30 DIEDHM N#Cc1ccc(C2(NCc3cccc([O-])c3Cl)CCC2)cc1 ZINC000594518596 1050528676 /nfs/dbraw/zinc/52/86/76/1050528676.db2.gz IGHBYPQDCVOWJQ-UHFFFAOYSA-N -1 3 312.800 4.086 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2cccc3c2OC(C)(C)C3)ccc1[O-] ZINC000737442581 1050724484 /nfs/dbraw/zinc/72/44/84/1050724484.db2.gz CHJKPHZMVRQRSC-YFHOEESVSA-N -1 3 308.377 4.310 20 30 DIEDHM Cc1ccccc1O[C@@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000741844097 1050760678 /nfs/dbraw/zinc/76/06/78/1050760678.db2.gz NREFTLDBQCPJJH-MDBUFAAASA-N -1 3 303.789 4.240 20 30 DIEDHM COCc1cccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)c1 ZINC000742432289 1050853050 /nfs/dbraw/zinc/85/30/50/1050853050.db2.gz VCLPPUDGUIVGLS-RLIURORJSA-N -1 3 312.340 4.061 20 30 DIEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001147171930 1050864806 /nfs/dbraw/zinc/86/48/06/1050864806.db2.gz AZLLXHQWZLFESV-RDTXWAMCSA-N -1 3 309.409 4.410 20 30 DIEDHM Cc1cc(C#N)c([N-]C(=O)c2nc3ccc(C)cc3s2)s1 ZINC001147554501 1050889933 /nfs/dbraw/zinc/88/99/33/1050889933.db2.gz RTPBJCFQXVAFNU-UHFFFAOYSA-N -1 3 313.407 4.099 20 30 DIEDHM Cc1cc(F)cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000076767892 1050900373 /nfs/dbraw/zinc/90/03/73/1050900373.db2.gz JUUWFAQVKYWWCS-CYBMUJFWSA-N -1 3 322.261 4.038 20 30 DIEDHM CCCCCCCCCCN(C)C(=O)c1cccc(O)c1[O-] ZINC001148219134 1050924942 /nfs/dbraw/zinc/92/49/42/1050924942.db2.gz URJBKDAQTSFHFB-UHFFFAOYSA-N -1 3 307.434 4.311 20 30 DIEDHM C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])Oc1ccccc1F ZINC000743042549 1050979024 /nfs/dbraw/zinc/97/90/24/1050979024.db2.gz MBAJDMKCSFOHJY-VSMYLPJWSA-N -1 3 307.752 4.071 20 30 DIEDHM CC(C)Oc1ccc(F)c(F)c1Nc1ccc([O-])c(C#N)c1 ZINC001215078965 1051072565 /nfs/dbraw/zinc/07/25/65/1051072565.db2.gz PDRWGOZKOKJGCN-UHFFFAOYSA-N -1 3 304.296 4.073 20 30 DIEDHM N#Cc1c2c(sc1Nc1cc(F)c([O-])cc1F)CCCC2 ZINC001215570201 1051250946 /nfs/dbraw/zinc/25/09/46/1051250946.db2.gz OHPDTMCRDZPCMW-UHFFFAOYSA-N -1 3 306.337 4.226 20 30 DIEDHM CC(C)Oc1c(F)ccc(Nc2cc(C#N)ccc2[O-])c1F ZINC001215728500 1051328153 /nfs/dbraw/zinc/32/81/53/1051328153.db2.gz LNEZDBVNAMTFMS-UHFFFAOYSA-N -1 3 304.296 4.073 20 30 DIEDHM [O-]c1c(O)ccc(C=Nc2cccc(-c3ccccc3)c2)c1O ZINC000804598897 1051492514 /nfs/dbraw/zinc/49/25/14/1051492514.db2.gz RFBXKLUVACHPOG-UHFFFAOYSA-N -1 3 305.333 4.221 20 30 DIEDHM Cc1cc(Nc2ccc(C#N)cc2C(F)(F)F)cc([O-])c1F ZINC001216080663 1051567714 /nfs/dbraw/zinc/56/77/14/1051567714.db2.gz HJWJODDZUUBUFB-UHFFFAOYSA-N -1 3 310.250 4.474 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCOC2(CCCCC2)C1 ZINC000767691185 1051837549 /nfs/dbraw/zinc/83/75/49/1051837549.db2.gz SKPSEMCREQJSMB-CCRNYGKSSA-N -1 3 307.821 4.346 20 30 DIEDHM COc1cc(C(=O)/C=C\c2ccc(F)cc2Cl)ccc1[O-] ZINC000767718710 1051841940 /nfs/dbraw/zinc/84/19/40/1051841940.db2.gz USIDWUMSNHDKPL-UTCJRWHESA-N -1 3 306.720 4.089 20 30 DIEDHM CC(C)(C#N)CCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000768537918 1051941444 /nfs/dbraw/zinc/94/14/44/1051941444.db2.gz FWKATHAEUYYVID-UHFFFAOYSA-N -1 3 303.189 4.198 20 30 DIEDHM CC(=NN=c1[nH]c2ccccc2[nH]1)c1cc(Cl)cc(C)c1[O-] ZINC000807946238 1051953440 /nfs/dbraw/zinc/95/34/40/1051953440.db2.gz PPCKQUNZPFZPMK-UHFFFAOYSA-N -1 3 314.776 4.066 20 30 DIEDHM N#Cc1cc(Nc2ccc(Br)cc2[O-])ccc1Cl ZINC001174403828 1052124890 /nfs/dbraw/zinc/12/48/90/1052124890.db2.gz XPSWVWTUGAFTFC-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2nc(C(C)C)n3ccccc23)ccc1[O-] ZINC000762604798 1052406930 /nfs/dbraw/zinc/40/69/30/1052406930.db2.gz QQMASILOKFKZDL-CSKARUKUSA-N -1 3 320.392 4.368 20 30 DIEDHM COc1cc(C(=O)/C=C/C(C)=C/c2ccccc2)c(OC)cc1[O-] ZINC000763105118 1052499819 /nfs/dbraw/zinc/49/98/19/1052499819.db2.gz JGKPQJSUSWYXGG-QDCWQMMGSA-N -1 3 324.376 4.252 20 30 DIEDHM COc1ccc(F)cc1[C@@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000915981404 1052573953 /nfs/dbraw/zinc/57/39/53/1052573953.db2.gz RSOQZGXFCYUEFJ-XTTRTJGBSA-N -1 3 307.752 4.373 20 30 DIEDHM COc1ccc(F)cc1[C@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000915981402 1052574439 /nfs/dbraw/zinc/57/44/39/1052574439.db2.gz RSOQZGXFCYUEFJ-OVNPTBDBSA-N -1 3 307.752 4.373 20 30 DIEDHM CC[C@@H](C)[C@H](C)O/C(=N\[O-])c1ccccc1Br ZINC001223885168 1052647385 /nfs/dbraw/zinc/64/73/85/1052647385.db2.gz ZJFRIKGCIZCFKS-OSGWWAHMSA-N -1 3 300.196 4.036 20 30 DIEDHM CCCC[C@@H](C)O/C(=N\[O-])c1ccccc1Br ZINC001223884464 1052647435 /nfs/dbraw/zinc/64/74/35/1052647435.db2.gz KLDGJQIDBCVYGK-QMLLPTRZSA-N -1 3 300.196 4.180 20 30 DIEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2cc3ccccc3s2)[n-]1 ZINC001225467097 1052792248 /nfs/dbraw/zinc/79/22/48/1052792248.db2.gz KNDWJPGPAFKFSM-LLVKDONJSA-N -1 3 310.378 4.322 20 30 DIEDHM C=C[C@@H](C)Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226492120 1052902500 /nfs/dbraw/zinc/90/25/00/1052902500.db2.gz SKSWQZNPXXPHEZ-GFCCVEGCSA-N -1 3 308.333 4.119 20 30 DIEDHM C=CC[C@@H](CCCC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531586 1052907789 /nfs/dbraw/zinc/90/77/89/1052907789.db2.gz DFDYEMAAZJCTJP-ZDUSSCGKSA-N -1 3 302.370 4.321 20 30 DIEDHM C=CC[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1 ZINC001226596181 1052914268 /nfs/dbraw/zinc/91/42/68/1052914268.db2.gz KAURRYMFLMWBGL-MRXNPFEDSA-N -1 3 308.333 4.195 20 30 DIEDHM C[C@H](C/N=C/c1cc(Cl)ccc1[O-])COCc1ccccc1 ZINC000920174529 1052925987 /nfs/dbraw/zinc/92/59/87/1052925987.db2.gz OCMFHVDPYKFGOW-XLTHYULKSA-N -1 3 317.816 4.317 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/C1CCN(c2ccccc2)CC1 ZINC000920172827 1052926155 /nfs/dbraw/zinc/92/61/55/1052926155.db2.gz KXUXEPPUWROGQX-DEDYPNTBSA-N -1 3 314.816 4.134 20 30 DIEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000901376604 1052933763 /nfs/dbraw/zinc/93/37/63/1052933763.db2.gz VTRADPFBRCHSHK-NSHDSACASA-N -1 3 307.752 4.001 20 30 DIEDHM N#Cc1ccc([O-])c(OC(c2ccccc2)c2ccccc2)c1 ZINC001227344689 1052983644 /nfs/dbraw/zinc/98/36/44/1052983644.db2.gz CJROIXMKJGYLHK-UHFFFAOYSA-N -1 3 301.345 4.432 20 30 DIEDHM Cc1ccc([C@@H](Oc2cc(C#N)ccc2[O-])C(F)(F)F)cc1 ZINC001227349682 1052983649 /nfs/dbraw/zinc/98/36/49/1052983649.db2.gz IEPJMGUXOQDWJZ-OAHLLOKOSA-N -1 3 307.271 4.255 20 30 DIEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC001227350712 1052984079 /nfs/dbraw/zinc/98/40/79/1052984079.db2.gz PHYCKFXWZMQLAJ-JTQLQIEISA-N -1 3 323.270 4.302 20 30 DIEDHM C#CC[C@H](C)Oc1ccccc1N=CC=Nc1ccccc1[O-] ZINC001228126788 1053045621 /nfs/dbraw/zinc/04/56/21/1053045621.db2.gz IHWCMEKHDHOOIV-HNNXBMFYSA-N -1 3 306.365 4.288 20 30 DIEDHM [O-]c1ccccc1N=CC=Nc1ccccc1O[C@H]1CCCOC1 ZINC001228126079 1053045942 /nfs/dbraw/zinc/04/59/42/1053045942.db2.gz ZFAZBPZYBKXXEG-HNNXBMFYSA-N -1 3 324.380 4.055 20 30 DIEDHM C=CC[C@@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)c1ccccc1 ZINC001228675073 1053157728 /nfs/dbraw/zinc/15/77/28/1053157728.db2.gz NNRQCGMJVIAFTD-QGZVFWFLSA-N -1 3 323.352 4.476 20 30 DIEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H](C)C#C[Si](C)(C)C ZINC001228958659 1053212557 /nfs/dbraw/zinc/21/25/57/1053212557.db2.gz NRTPVEFRDFLBOF-ZDUSSCGKSA-N -1 3 318.489 4.366 20 30 DIEDHM C=C[C@@H](Oc1cc(O)cc([O-])c1Br)c1ccccc1 ZINC001229096706 1053246066 /nfs/dbraw/zinc/24/60/66/1053246066.db2.gz IKSCUGOOJXKPGM-CYBMUJFWSA-N -1 3 321.170 4.166 20 30 DIEDHM C[C@H](Oc1cccc([O-])c1Br)c1ccccc1C#N ZINC001229142542 1053257755 /nfs/dbraw/zinc/25/77/55/1053257755.db2.gz PRENWLPTNNQKSE-JTQLQIEISA-N -1 3 318.170 4.166 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2nc3c(s2)C[C@H](C)CC3)ccc1[O-] ZINC001320397757 1053330326 /nfs/dbraw/zinc/33/03/26/1053330326.db2.gz FGPJJJHUJSIGKQ-SKVAFPRGSA-N -1 3 313.422 4.178 20 30 DIEDHM C/C(=N\[O-])c1ccccc1OC1CCN(c2ccc(C)cc2)CC1 ZINC001229739490 1053395174 /nfs/dbraw/zinc/39/51/74/1053395174.db2.gz DNBVLFPCEPTFNG-LTGZKZEYSA-N -1 3 324.424 4.241 20 30 DIEDHM C=CC(C=C)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229811629 1053409157 /nfs/dbraw/zinc/40/91/57/1053409157.db2.gz SFHPVXWVJLMQGS-UHFFFAOYSA-N -1 3 312.365 4.184 20 30 DIEDHM O=C1CCCC[C@H]1Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229937260 1053433808 /nfs/dbraw/zinc/43/38/08/1053433808.db2.gz KGEBIJNMDZLWRL-CVNFFVDQSA-N -1 3 309.365 4.033 20 30 DIEDHM C[C@@H]1C[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])CCO1 ZINC001229938350 1053433937 /nfs/dbraw/zinc/43/39/37/1053433937.db2.gz VBDCQTLVXDLXHD-IVFDQLTFSA-N -1 3 311.381 4.089 20 30 DIEDHM [O-]c1ccccc1/N=C/c1ccccc1OC1CC(F)(F)C1 ZINC001229932768 1053435013 /nfs/dbraw/zinc/43/50/13/1053435013.db2.gz HVEFCLUZMKQSPG-RGVLZGJSSA-N -1 3 303.308 4.319 20 30 DIEDHM [O-]c1ccccc1/N=C/c1ccccc1OC[C@H]1CCC=CO1 ZINC001229932550 1053435147 /nfs/dbraw/zinc/43/51/47/1053435147.db2.gz DSSWGNLQVROEKZ-RBYWHNRPSA-N -1 3 309.365 4.214 20 30 DIEDHM N#CCCN(Cc1ccc([O-])c(C(F)(F)F)c1)C1CCCC1 ZINC001231523856 1053777837 /nfs/dbraw/zinc/77/78/37/1053777837.db2.gz ACXGEEFSUHWWOF-UHFFFAOYSA-N -1 3 312.335 4.069 20 30 DIEDHM O=C([C@H]1CCC[C@H](F)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001332031075 1054106756 /nfs/dbraw/zinc/10/67/56/1054106756.db2.gz VCUSCVDFBAJCLR-GWCFXTLKSA-N -1 3 320.191 4.240 20 30 DIEDHM N#CC1(CCCCSCc2cc(=O)[n-]c(C3CC3)n2)CCC1 ZINC001336068202 1054230836 /nfs/dbraw/zinc/23/08/36/1054230836.db2.gz QHSCQDHZHBXHSK-UHFFFAOYSA-N -1 3 317.458 4.157 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccc(N3CCCC3)cc2)ccc1[O-] ZINC001338495041 1054307995 /nfs/dbraw/zinc/30/79/95/1054307995.db2.gz PRSBKFDHQATVBM-POHAHGRESA-N -1 3 307.393 4.197 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1ccccc1Cl ZINC001233800438 1054360606 /nfs/dbraw/zinc/36/06/06/1054360606.db2.gz QJYFDDOYYYUCFJ-VDCVXVNISA-N -1 3 305.761 4.297 20 30 DIEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(/C=N/[O-])cc1OC ZINC001233803553 1054363540 /nfs/dbraw/zinc/36/35/40/1054363540.db2.gz QWGDXHXXNDYBPM-OJFDWGBGSA-N -1 3 303.402 4.263 20 30 DIEDHM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C(F)=C1CCCC1 ZINC001341952368 1054414545 /nfs/dbraw/zinc/41/45/45/1054414545.db2.gz NGORMJHGLKFBPT-AWEZNQCLSA-N -1 3 324.355 4.166 20 30 DIEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C(F)=C1CCCC1 ZINC001341952368 1054414552 /nfs/dbraw/zinc/41/45/52/1054414552.db2.gz NGORMJHGLKFBPT-AWEZNQCLSA-N -1 3 324.355 4.166 20 30 DIEDHM CC[C@H](C#Cc1ccccc1)Oc1c(Cl)ccc([O-])c1F ZINC001234263276 1054477587 /nfs/dbraw/zinc/47/75/87/1054477587.db2.gz WCWLAVPVSPMJRT-CYBMUJFWSA-N -1 3 304.748 4.394 20 30 DIEDHM [O-]c1ccc(Cl)c(OC(C(F)(F)F)C(F)(F)F)c1F ZINC001234263841 1054479508 /nfs/dbraw/zinc/47/95/08/1054479508.db2.gz IONMZQYZJXUVAS-UHFFFAOYSA-N -1 3 312.568 4.057 20 30 DIEDHM O=C(Nc1ccc(-c2ccccc2C=N[O-])cc1)c1ccccc1 ZINC001236343047 1055068731 /nfs/dbraw/zinc/06/87/31/1055068731.db2.gz LJHWYPWTJBAVBL-UHFFFAOYSA-N -1 3 316.360 4.414 20 30 DIEDHM CCC(=NN=c1[nH]c2ccccc2s1)c1ccc([O-])c(F)c1 ZINC000764640207 1055228055 /nfs/dbraw/zinc/22/80/55/1055228055.db2.gz JHWVWCBEEJZEOE-UHFFFAOYSA-N -1 3 315.373 4.367 20 30 DIEDHM C[C@@H]1[C@@H](C(=O)N([O-])Cc2ccccc2Cl)[C@@H]1c1ccccc1 ZINC001649045919 1055746126 /nfs/dbraw/zinc/74/61/26/1055746126.db2.gz FSSUICKULKFUFH-AFAVFJNCSA-N -1 3 315.800 4.108 20 30 DIEDHM Cc1ccccc1[C@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001649051616 1055768672 /nfs/dbraw/zinc/76/86/72/1055768672.db2.gz DHGOYLIITWQMEI-KRWDZBQOSA-N -1 3 311.425 4.339 20 30 DIEDHM C[C@]1(c2ccccc2)C[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001649052433 1055770622 /nfs/dbraw/zinc/77/06/22/1055770622.db2.gz XYGCFDBXISLTBS-PZJWPPBQSA-N -1 3 323.436 4.205 20 30 DIEDHM C=CC(C)(C)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001569012842 1055852209 /nfs/dbraw/zinc/85/22/09/1055852209.db2.gz PEUDZHWIYIIEAT-UHFFFAOYSA-N -1 3 323.436 4.119 20 30 DIEDHM C=CC(C)(C)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001569012938 1055852765 /nfs/dbraw/zinc/85/27/65/1055852765.db2.gz UVMORZJNDCDUNM-UHFFFAOYSA-N -1 3 311.381 4.127 20 30 DIEDHM CCCCSCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC001649069557 1055876076 /nfs/dbraw/zinc/87/60/76/1055876076.db2.gz CPTPWDGLNCIAQZ-UHFFFAOYSA-N -1 3 317.454 4.481 20 30 DIEDHM CCSCc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001649070177 1055879535 /nfs/dbraw/zinc/87/95/35/1055879535.db2.gz URPGXXQQBBCWFE-UHFFFAOYSA-N -1 3 319.401 4.110 20 30 DIEDHM CC(C)Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC001649076323 1055902504 /nfs/dbraw/zinc/90/25/04/1055902504.db2.gz VLFJPZDKRMEXQE-UHFFFAOYSA-N -1 3 307.390 4.117 20 30 DIEDHM CS[C@@H](C)CCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001611642418 1056176941 /nfs/dbraw/zinc/17/69/41/1056176941.db2.gz PWDCTBFFFFBAOC-VIFPVBQESA-N -1 3 322.257 4.243 20 30 DIEDHM Cc1ccc(C(C)(C)C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001611650942 1056177984 /nfs/dbraw/zinc/17/79/84/1056177984.db2.gz RFBGHVKOKOSPIL-UHFFFAOYSA-N -1 3 317.816 4.344 20 30 DIEDHM CCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001611658078 1056178246 /nfs/dbraw/zinc/17/82/46/1056178246.db2.gz TYDDDASKTQPGGT-VXGBXAGGSA-N -1 3 302.201 4.115 20 30 DIEDHM O=C(c1ccc(Cl)s1)N([O-])CCCCc1ccccc1 ZINC001611653535 1056178265 /nfs/dbraw/zinc/17/82/65/1056178265.db2.gz WPFAPWYCTCDQEK-UHFFFAOYSA-N -1 3 309.818 4.256 20 30 DIEDHM Cc1nc(C(C)C)sc1C(=O)N([O-])Cc1ccccc1Cl ZINC001611650656 1056179169 /nfs/dbraw/zinc/17/91/69/1056179169.db2.gz FMOGHZNHQAYZSK-UHFFFAOYSA-N -1 3 324.833 4.260 20 30 DIEDHM CCCCCCCCCN(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC001543593679 1056260136 /nfs/dbraw/zinc/26/01/36/1056260136.db2.gz XQEZJTURKYTCTO-UHFFFAOYSA-N -1 3 309.425 4.283 20 30 DIEDHM C/C(=N\[O-])c1ccc(-c2cnc(Cl)n2[C@@H]2CCCCO2)cc1 ZINC001240556321 1056574527 /nfs/dbraw/zinc/57/45/27/1056574527.db2.gz XEMMMZRFYLGKHQ-BKQORJHRSA-N -1 3 319.792 4.101 20 30 DIEDHM N#Cc1c2c(sc1Nc1cc(F)cc(F)c1[O-])CCCC2 ZINC001212478121 1056777026 /nfs/dbraw/zinc/77/70/26/1056777026.db2.gz WKMQWBRGHAJLEX-UHFFFAOYSA-N -1 3 306.337 4.226 20 30 DIEDHM C=CCc1ccc(NC(=O)C(C)(C)C)c(-c2ccccc2[O-])n1 ZINC001241008134 1056814316 /nfs/dbraw/zinc/81/43/16/1056814316.db2.gz KWHNJRWJJCFBED-UHFFFAOYSA-N -1 3 310.397 4.167 20 30 DIEDHM N#Cc1c(Nc2cc(F)cc(F)c2[O-])cccc1C(F)(F)F ZINC001212489242 1056828506 /nfs/dbraw/zinc/82/85/06/1056828506.db2.gz KZZSZXBJEIIUNC-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM Cc1ccc([C@H](C#N)c2ccc(-c3ccc(C)cc3[O-])nn2)cc1 ZINC001241028435 1056829700 /nfs/dbraw/zinc/82/97/00/1056829700.db2.gz NSCOVDDFYJCKIQ-KRWDZBQOSA-N -1 3 315.376 4.122 20 30 DIEDHM CSc1nc(-c2ccccc2)nc(-c2ccc([O-])cc2)c1C#N ZINC001241059539 1056855490 /nfs/dbraw/zinc/85/54/90/1056855490.db2.gz HXAQEMICOVGRRY-UHFFFAOYSA-N -1 3 319.389 4.110 20 30 DIEDHM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)c(C)s1 ZINC000682993799 1056928281 /nfs/dbraw/zinc/92/82/81/1056928281.db2.gz BBQOWOMASVZZBS-MRXNPFEDSA-N -1 3 306.390 4.403 20 30 DIEDHM N#CCc1cc(C(F)(F)F)ccc1-c1c(F)ccc([O-])c1F ZINC001241293752 1057001154 /nfs/dbraw/zinc/00/11/54/1057001154.db2.gz NGRWMLCQBXJPRC-UHFFFAOYSA-N -1 3 313.225 4.422 20 30 DIEDHM CSCc1c2ccccc2oc1C([O-])=C(C#N)c1ccccn1 ZINC000073971844 1057137671 /nfs/dbraw/zinc/13/76/71/1057137671.db2.gz VZSMCGOAHBNCOZ-CYBMUJFWSA-N -1 3 322.389 4.181 20 30 DIEDHM N#Cc1ccc(-c2cc(C(F)(F)F)ccc2[O-])c2cc[nH]c21 ZINC001242140719 1057277060 /nfs/dbraw/zinc/27/70/60/1057277060.db2.gz BQCGJSPQYTVFRS-UHFFFAOYSA-N -1 3 302.255 4.431 20 30 DIEDHM N#CCc1cc(-c2cc(C(F)(F)F)ccc2[O-])ccc1C#N ZINC001242139671 1057277274 /nfs/dbraw/zinc/27/72/74/1057277274.db2.gz DYEIDDGXLZSLTD-UHFFFAOYSA-N -1 3 302.255 4.016 20 30 DIEDHM N#Cc1ccc(-c2ccccc2Nc2cccc([O-])c2F)nc1 ZINC001212554510 1057368591 /nfs/dbraw/zinc/36/85/91/1057368591.db2.gz XOUZWKOGCVSECZ-UHFFFAOYSA-N -1 3 305.312 4.209 20 30 DIEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000676459181 1057473587 /nfs/dbraw/zinc/47/35/87/1057473587.db2.gz UKWUGAQZESJLNV-MRXNPFEDSA-N -1 3 315.376 4.243 20 30 DIEDHM N#Cc1c(-c2cc([O-])cc(C(F)(F)F)c2)ccc2ncccc12 ZINC001242783597 1057474742 /nfs/dbraw/zinc/47/47/42/1057474742.db2.gz SRPGIBJTRPRZCD-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM CC(C)(C)SCC/N=C/c1cc(Br)ccc1[O-] ZINC000727265169 1057644575 /nfs/dbraw/zinc/64/45/75/1057644575.db2.gz KDIFVTHSCSEIGT-OQLLNIDSSA-N -1 3 316.264 4.105 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(F)c(F)c1 ZINC000730590310 1057718040 /nfs/dbraw/zinc/71/80/40/1057718040.db2.gz MDAPSYZXMOPVFQ-VSBFRKNKSA-N -1 3 304.267 4.193 20 30 DIEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccc(F)c1F ZINC000730729137 1057721543 /nfs/dbraw/zinc/72/15/43/1057721543.db2.gz FEUDQWULVRRBIR-FBHKUJJOSA-N -1 3 304.267 4.193 20 30 DIEDHM N#CCc1ccc(-c2ccc(C(F)(F)F)cc2[O-])cc1C#N ZINC001243609274 1057732287 /nfs/dbraw/zinc/73/22/87/1057732287.db2.gz PMSFGJUTLHAFJZ-UHFFFAOYSA-N -1 3 302.255 4.016 20 30 DIEDHM CO/N=C/c1cc(-c2cc(C)c([O-])c(Cl)c2)cc(F)c1F ZINC001244553108 1057994521 /nfs/dbraw/zinc/99/45/21/1057994521.db2.gz CVDBHCLWCOCXQJ-FBCYGCLPSA-N -1 3 311.715 4.280 20 30 DIEDHM CCCCN([O-])C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001559035206 1058235617 /nfs/dbraw/zinc/23/56/17/1058235617.db2.gz HENQFLKYWUCVCO-NSHDSACASA-N -1 3 303.324 4.217 20 30 DIEDHM C[C@@H](Cc1ccccc1F)C(=O)N([O-])Cc1ccccc1Cl ZINC001559033416 1058938420 /nfs/dbraw/zinc/93/84/20/1058938420.db2.gz HUZHWCFJUHWEHI-LBPRGKRZSA-N -1 3 321.779 4.076 20 30 DIEDHM CCCCN([O-])C(=O)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001559035274 1058941023 /nfs/dbraw/zinc/94/10/23/1058941023.db2.gz JXKYBRWCWHOBSZ-UHFFFAOYSA-N -1 3 320.776 4.159 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC001559034644 1058941330 /nfs/dbraw/zinc/94/13/30/1058941330.db2.gz JMTFVTNILBQVEJ-ZDUSSCGKSA-N -1 3 313.438 4.352 20 30 DIEDHM O=C(c1cc(F)cc2ccoc21)N([O-])Cc1ccccc1Cl ZINC001559033870 1058942187 /nfs/dbraw/zinc/94/21/87/1058942187.db2.gz CEFRYELXAUSPRW-UHFFFAOYSA-N -1 3 319.719 4.257 20 30 DIEDHM CC(C)(C)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC001559037486 1058942874 /nfs/dbraw/zinc/94/28/74/1058942874.db2.gz YVASPIAQZHPTJG-UHFFFAOYSA-N -1 3 307.390 4.216 20 30 DIEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001559035283 1058943017 /nfs/dbraw/zinc/94/30/17/1058943017.db2.gz KMEBQRSECYNBJT-WDEREUQCSA-N -1 3 302.201 4.115 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](C)CSc1ccc(F)cc1 ZINC001559034643 1058943636 /nfs/dbraw/zinc/94/36/36/1058943636.db2.gz JMTFVTNILBQVEJ-CYBMUJFWSA-N -1 3 313.438 4.352 20 30 DIEDHM CCCCCCCCNC(=S)Nc1c([O-])cccc1C(C)=O ZINC001247167324 1059323117 /nfs/dbraw/zinc/32/31/17/1059323117.db2.gz VAYSCCHSAFBRNT-UHFFFAOYSA-N -1 3 322.474 4.242 20 30 DIEDHM C=CCN(Cc1ccc(Cl)cc1[O-])Cc1ccccc1F ZINC001560683409 1060526262 /nfs/dbraw/zinc/52/62/62/1060526262.db2.gz XHGUKAVYVQWMIH-UHFFFAOYSA-N -1 3 305.780 4.373 20 30 DIEDHM C=CCc1cccc(-c2nc3c(cc(F)cc3Cl)[nH]2)c1[O-] ZINC001250712215 1061033939 /nfs/dbraw/zinc/03/39/39/1061033939.db2.gz AEDKYUQYSVLEMP-UHFFFAOYSA-N -1 3 302.736 4.457 20 30 DIEDHM C=C1CCC(CNC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001455546095 1061228999 /nfs/dbraw/zinc/22/89/99/1061228999.db2.gz JLIWRFVVZKFMJT-UHFFFAOYSA-N -1 3 301.411 4.083 20 30 DIEDHM Cc1cc(Cl)cc(NC(=O)c2c(C)cc(C#N)cc2C)c1[O-] ZINC001457671444 1061481377 /nfs/dbraw/zinc/48/13/77/1061481377.db2.gz NGDGXGSYFFTPIN-UHFFFAOYSA-N -1 3 314.772 4.095 20 30 DIEDHM C[C@H]1CC/C(=C\C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001457992324 1061534925 /nfs/dbraw/zinc/53/49/25/1061534925.db2.gz DNEAWWMWCNUOBU-VUBLIPMDSA-N -1 3 314.212 4.458 20 30 DIEDHM C=CC[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001457991346 1061535818 /nfs/dbraw/zinc/53/58/18/1061535818.db2.gz DXKHWQMHASXQQB-MRXNPFEDSA-N -1 3 315.800 4.418 20 30 DIEDHM CC(C)[C@@H]1C[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457998538 1061535850 /nfs/dbraw/zinc/53/58/50/1061535850.db2.gz WDTWHXYFSGKNOU-QWHCGFSZSA-N -1 3 302.201 4.003 20 30 DIEDHM O=C(CCc1cccc(Cl)c1)N([O-])Cc1ccccc1Cl ZINC001458003204 1061537958 /nfs/dbraw/zinc/53/79/58/1061537958.db2.gz OOLWIGUEORMORQ-UHFFFAOYSA-N -1 3 324.207 4.344 20 30 DIEDHM O=C([C@H]1CC[C@@H]2C[C@@H]2CC1)N([O-])Cc1cccc2ccccc21 ZINC001458017444 1061540454 /nfs/dbraw/zinc/54/04/54/1061540454.db2.gz QHVPWBCOIYJTKB-BJWYYQGGSA-N -1 3 309.409 4.384 20 30 DIEDHM O=C(c1cccc2c1CCCCC2)N([O-])Cc1ccc(F)cc1 ZINC001458025599 1061542381 /nfs/dbraw/zinc/54/23/81/1061542381.db2.gz JWRPIOWGWOXZIF-UHFFFAOYSA-N -1 3 313.372 4.126 20 30 DIEDHM CCCCN([O-])C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001458023936 1061542969 /nfs/dbraw/zinc/54/29/69/1061542969.db2.gz ONXXECPZPSSGJT-IBGZPJMESA-N -1 3 311.425 4.421 20 30 DIEDHM CCCCN([O-])C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC001458026282 1061543060 /nfs/dbraw/zinc/54/30/60/1061543060.db2.gz XYNBXPWUWRHDPY-UHFFFAOYSA-N -1 3 308.809 4.093 20 30 DIEDHM CCCCCCCC[C@@H](O)CNc1cc(F)c([O-])c(F)c1 ZINC001252131910 1061590228 /nfs/dbraw/zinc/59/02/28/1061590228.db2.gz XTYRMYDGPWTLRY-CYBMUJFWSA-N -1 3 301.377 4.194 20 30 DIEDHM C=CCCO[N-]C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC001470616848 1062825536 /nfs/dbraw/zinc/82/55/36/1062825536.db2.gz SIRJJZYWJQGUJH-UHFFFAOYSA-N -1 3 321.420 4.204 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001472621243 1063109205 /nfs/dbraw/zinc/10/92/05/1063109205.db2.gz MKDIBEJVXVPRGT-ZWKOTPCHSA-N -1 3 303.446 4.444 20 30 DIEDHM CCCCCCCCCC[C@H](C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001257550312 1063332072 /nfs/dbraw/zinc/33/20/72/1063332072.db2.gz LXTICVXRNTVZRH-INIZCTEOSA-N -1 3 321.442 4.453 20 30 DIEDHM C=C1CCC(C(=O)Nc2c(C)c(Br)ccc2[O-])CC1 ZINC001298513733 1065006998 /nfs/dbraw/zinc/00/69/98/1065006998.db2.gz NNMMLMNJTNWBJV-UHFFFAOYSA-N -1 3 324.218 4.148 20 30 DIEDHM N#Cc1c([N-]C(=O)c2ccco2)sc2c1CCCCCC2 ZINC000006334125 181331033 /nfs/dbraw/zinc/33/10/33/181331033.db2.gz UCHZJCPGVHTGNF-UHFFFAOYSA-N -1 3 300.383 4.124 20 30 DIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cncs3)c(C#N)c2[C@@H]1C ZINC000297905496 132040143 /nfs/dbraw/zinc/04/01/43/132040143.db2.gz RFVJKQZXCZAWDB-RKDXNWHRSA-N -1 3 317.439 4.014 20 30 DIEDHM CC(C)(C)c1cc([N-]C(=O)c2ncoc2C2CC2)c(C#N)s1 ZINC000298007521 132044189 /nfs/dbraw/zinc/04/41/89/132044189.db2.gz ZQWRMGRWOVABOG-UHFFFAOYSA-N -1 3 315.398 4.035 20 30 DIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cscn3)c(C#N)c2[C@H]1C ZINC000298007319 132044352 /nfs/dbraw/zinc/04/43/52/132044352.db2.gz ZGCQSPOTYCANPP-BDAKNGLRSA-N -1 3 317.439 4.014 20 30 DIEDHM CCc1ccc(-c2ccc(C([O-])=C(C#N)c3ccccn3)o2)cc1 ZINC000173951871 332841899 /nfs/dbraw/zinc/84/18/99/332841899.db2.gz QFMKKNQQPXQIOC-MRXNPFEDSA-N -1 3 316.360 4.394 20 30 DIEDHM N#CCc1ccc(NCc2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000558491471 331912755 /nfs/dbraw/zinc/91/27/55/331912755.db2.gz BVGNBNSTFNBQBV-UHFFFAOYSA-N -1 3 306.287 4.089 20 30 DIEDHM CCc1c(C)sc([N-]C(=O)c2scnc2C(C)C)c1C#N ZINC000410442145 332145066 /nfs/dbraw/zinc/14/50/66/332145066.db2.gz ZKTJWZAWWRQYHQ-UHFFFAOYSA-N -1 3 319.455 4.323 20 30 DIEDHM C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293269392 335102966 /nfs/dbraw/zinc/10/29/66/335102966.db2.gz AYCMOZIHSVUESP-NVXWUHKLSA-N -1 3 322.364 4.044 20 30 DIEDHM CCCCCCC[C@H](CC(=O)[O-])NCc1cccc(F)c1F ZINC000277281056 334087501 /nfs/dbraw/zinc/08/75/01/334087501.db2.gz LYIZJCKVHQARSM-CQSZACIVSA-N -1 3 313.388 4.258 20 30 DIEDHM COc1cc(C(=O)/C=C/c2ncc(C(C)(C)C)s2)ccc1[O-] ZINC000280417615 334117227 /nfs/dbraw/zinc/11/72/27/334117227.db2.gz HTHQTCIKLSPUBF-BQYQJAHWSA-N -1 3 317.410 4.051 20 30 DIEDHM Cc1nc(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])nc1C ZINC000331229868 334843280 /nfs/dbraw/zinc/84/32/80/334843280.db2.gz GUEIBRZGHZHLOB-UHFFFAOYSA-N -1 3 313.401 4.041 20 30 DIEDHM O=C(NC1(Cc2ccccc2)CCCCC1)c1csc(=O)[n-]1 ZINC000329950691 336099006 /nfs/dbraw/zinc/09/90/06/336099006.db2.gz MLTZVPDVQWFIFR-UHFFFAOYSA-N -1 3 316.426 4.099 20 30 DIEDHM O=C(NC1(c2cccc(Cl)c2)CCCC1)c1csc(=O)[n-]1 ZINC000329953222 336099171 /nfs/dbraw/zinc/09/91/71/336099171.db2.gz NRNRJAJKFPCNBO-UHFFFAOYSA-N -1 3 322.817 4.276 20 30 DIEDHM O=C(NC1(c2ccccc2)CCCCC1)c1csc(=O)[n-]1 ZINC000329973840 336101633 /nfs/dbraw/zinc/10/16/33/336101633.db2.gz ZRWKLSRCMGUJPM-UHFFFAOYSA-N -1 3 302.399 4.013 20 30 DIEDHM C[C@@H](NC(=O)c1csc(=O)[n-]1)C1(c2ccccc2)CCCC1 ZINC000329981541 336102348 /nfs/dbraw/zinc/10/23/48/336102348.db2.gz NMDXVRVMGZKFJI-GFCCVEGCSA-N -1 3 316.426 4.054 20 30 DIEDHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000330026271 336107059 /nfs/dbraw/zinc/10/70/59/336107059.db2.gz LHKLHZBGXADDJK-UHFFFAOYSA-N -1 3 315.398 4.122 20 30 DIEDHM CCc1ccc([O-])c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000352198685 336201455 /nfs/dbraw/zinc/20/14/55/336201455.db2.gz OUNFKASLNGURJM-GOSISDBHSA-N -1 3 322.408 4.120 20 30 DIEDHM CCc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)ccc1[O-] ZINC000352207208 336202823 /nfs/dbraw/zinc/20/28/23/336202823.db2.gz VDDJTOGZIZFZMQ-GOSISDBHSA-N -1 3 322.408 4.120 20 30 DIEDHM CCc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1[O-] ZINC000352207209 336202890 /nfs/dbraw/zinc/20/28/90/336202890.db2.gz VDDJTOGZIZFZMQ-SFHVURJKSA-N -1 3 322.408 4.120 20 30 DIEDHM C[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1cccc(C#N)c1 ZINC000301419848 336305571 /nfs/dbraw/zinc/30/55/71/336305571.db2.gz DMCMLVJPVIDSDX-NSHDSACASA-N -1 3 324.771 4.435 20 30 DIEDHM CCN(C[C@H](C)C#N)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000119004668 337852734 /nfs/dbraw/zinc/85/27/34/337852734.db2.gz UVPAEVRYFFCKIS-CQSZACIVSA-N -1 3 316.445 4.261 20 30 DIEDHM C=CCOc1cccc(C=C(CC)c2nc(CCC)cc(=O)[n-]2)c1 ZINC000435339325 338237475 /nfs/dbraw/zinc/23/74/75/338237475.db2.gz RYWJQDAKZPYFMH-FOWTUZBSSA-N -1 3 324.424 4.238 20 30 DIEDHM C=CCCCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436535959 338275859 /nfs/dbraw/zinc/27/58/59/338275859.db2.gz MFGUSLFDUWEONT-UHFFFAOYSA-N -1 3 311.381 4.223 20 30 DIEDHM N#Cc1c([N-]C(=O)c2sccc2F)sc2c1CCCCC2 ZINC000459852129 339050031 /nfs/dbraw/zinc/05/00/31/339050031.db2.gz MVIBXBXCFHVCFM-UHFFFAOYSA-N -1 3 320.414 4.342 20 30 DIEDHM Cc1ccc(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464472311 339143038 /nfs/dbraw/zinc/14/30/38/339143038.db2.gz OKUWYHXNMIFVTR-AWEZNQCLSA-N -1 3 318.298 4.207 20 30 DIEDHM CCN(Cc1c(F)ccc([O-])c1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000507333395 340217385 /nfs/dbraw/zinc/21/73/85/340217385.db2.gz LWZOKVKDHOCHJX-LBPRGKRZSA-N -1 3 316.351 4.125 20 30 DIEDHM Cc1c(C#N)cccc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000513809959 340425931 /nfs/dbraw/zinc/42/59/31/340425931.db2.gz SRKFNJITCYFJEM-UHFFFAOYSA-N -1 3 308.381 4.122 20 30 DIEDHM CSc1cccc(C)c1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000184605543 340494266 /nfs/dbraw/zinc/49/42/66/340494266.db2.gz UDBKYNWNOJEEEL-UHFFFAOYSA-N -1 3 318.348 4.119 20 30 DIEDHM C=CCSc1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000547625484 341223819 /nfs/dbraw/zinc/22/38/19/341223819.db2.gz WIYZQBQROWPESR-UHFFFAOYSA-N -1 3 303.358 4.062 20 30 DIEDHM Cc1ccc2c(c1C)OC[C@@H]2/N=C/c1cc(Cl)ccc1[O-] ZINC000728226214 1036117372 /nfs/dbraw/zinc/11/73/72/1036117372.db2.gz KQHJSZORACTFBQ-UZSVJVCZSA-N -1 3 301.773 4.215 20 30 DIEDHM C=CCc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc(OC)c1O ZINC000728231952 1036173215 /nfs/dbraw/zinc/17/32/15/1036173215.db2.gz OQIOFJXHHBSVQD-VURMDHGXSA-N -1 3 324.376 4.039 20 30 DIEDHM COc1ccc(Cl)cc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000728231193 1036184024 /nfs/dbraw/zinc/18/40/24/1036184024.db2.gz JQIQXSFAFZPABN-DAXSKMNVSA-N -1 3 302.757 4.259 20 30 DIEDHM COc1cccc2cc(/C=C/C(=O)c3ccc([O-])c(C)c3)oc21 ZINC000728232518 1036203600 /nfs/dbraw/zinc/20/36/00/1036203600.db2.gz VUDDKQFECLSYEP-VQHVLOKHSA-N -1 3 308.333 4.352 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2ccccc2OC(F)F)ccc1[O-] ZINC000728232525 1036204487 /nfs/dbraw/zinc/20/44/87/1036204487.db2.gz WAMQIIWUORDHFS-RMKNXTFCSA-N -1 3 304.292 4.198 20 30 DIEDHM N#Cc1cc(Nc2cc(C(F)(F)F)c(F)cc2F)ccc1[O-] ZINC001210533120 1036782626 /nfs/dbraw/zinc/78/26/26/1036782626.db2.gz VQRHTLXZTNQBGY-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM N#CC(=C([O-])c1cccc2c1CCCC2)c1nc(C2CC2)cs1 ZINC000647380238 1040386670 /nfs/dbraw/zinc/38/66/70/1040386670.db2.gz WAZFAMQDKWZKNG-MRXNPFEDSA-N -1 3 322.433 4.389 20 30 DIEDHM CC[C@H](C)Oc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000175082758 1041034879 /nfs/dbraw/zinc/03/48/79/1041034879.db2.gz YVQWPDANEYUYQO-SWLSCSKDSA-N -1 3 314.410 4.119 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000811625989 1041543493 /nfs/dbraw/zinc/54/34/93/1041543493.db2.gz ZYHCYZRSGFVSET-SOOUNPCTSA-N -1 3 315.800 4.385 20 30 DIEDHM CCC(=NOC/C=C/Cl)c1cc(Br)ccc1[O-] ZINC000811668158 1041551361 /nfs/dbraw/zinc/55/13/61/1041551361.db2.gz LFMFDSZIVNJBNV-PPXNTAMFSA-N -1 3 318.598 4.038 20 30 DIEDHM N#Cc1ccccc1C(=O)/C=C\c1cc([O-])cc(C(F)(F)F)c1 ZINC000811691099 1041557219 /nfs/dbraw/zinc/55/72/19/1041557219.db2.gz KMAYRBGKQXIXEA-WAYWQWQTSA-N -1 3 317.266 4.179 20 30 DIEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])c(C)c2)c1 ZINC000728787088 1041733865 /nfs/dbraw/zinc/73/38/65/1041733865.db2.gz GJPNRKOVQNAWTG-CLFYSBASSA-N -1 3 318.376 4.295 20 30 DIEDHM CC[C@@H](/N=C/c1cc(Br)ccc1[O-])c1ccncc1 ZINC000125131195 1041879485 /nfs/dbraw/zinc/87/94/85/1041879485.db2.gz BEBKXZHBMXQWFR-YFEUJDIGSA-N -1 3 319.202 4.120 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1cc(Cl)ccc1Cl ZINC000814935084 1041891800 /nfs/dbraw/zinc/89/18/00/1041891800.db2.gz LODMBTVECACCIN-MRVPVSSYSA-N -1 3 308.155 4.382 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ccccc1C(F)(F)F ZINC000815099959 1041918223 /nfs/dbraw/zinc/91/82/23/1041918223.db2.gz JHKBQRXNZQZIRI-VIFPVBQESA-N -1 3 307.262 4.094 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1cccc(Cl)c1Cl ZINC000815649136 1041984602 /nfs/dbraw/zinc/98/46/02/1041984602.db2.gz IEZWJBDHOYMFAU-QMMMGPOBSA-N -1 3 308.155 4.382 20 30 DIEDHM N#CCCN(Cc1ccco1)Cc1ccc2ccccc2c1[O-] ZINC000816481455 1042056465 /nfs/dbraw/zinc/05/64/65/1042056465.db2.gz WZBQXFVOBIYAIN-UHFFFAOYSA-N -1 3 306.365 4.054 20 30 DIEDHM CN(C)Cc1cccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)c1 ZINC000821017295 1042238495 /nfs/dbraw/zinc/23/84/95/1042238495.db2.gz FAUWZUWPQLMFHC-VURMDHGXSA-N -1 3 315.800 4.003 20 30 DIEDHM C#CCN(C(=O)c1cc2sccc2c([O-])c1)C1CCCCC1 ZINC001136512876 1042267917 /nfs/dbraw/zinc/26/79/17/1042267917.db2.gz KXFHHTWBVUYWPA-UHFFFAOYSA-N -1 3 313.422 4.015 20 30 DIEDHM COc1cc(/C=C2/Cc3c(cccc3C)C2=O)cc(Cl)c1[O-] ZINC000729150765 1042510060 /nfs/dbraw/zinc/51/00/60/1042510060.db2.gz MKUUHBFEWZNWBA-SDQBBNPISA-N -1 3 314.768 4.185 20 30 DIEDHM Cc1cccc2c1[C@@H](C)/C(=C\c1c(F)ccc([O-])c1F)C2=O ZINC000794944456 1043241716 /nfs/dbraw/zinc/24/17/16/1043241716.db2.gz BSDYSXZZRONGSQ-MJWAUXSNSA-N -1 3 300.304 4.362 20 30 DIEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1csc(Cl)c1 ZINC000794942465 1043244996 /nfs/dbraw/zinc/24/49/96/1043244996.db2.gz AXCMTBTUTATZOH-HNQUOIGGSA-N -1 3 300.713 4.281 20 30 DIEDHM O=C1c2cccc3c2[C@@H](CCC3)/C1=C\c1c(F)ccc([O-])c1F ZINC000794947056 1043246535 /nfs/dbraw/zinc/24/65/35/1043246535.db2.gz UAXAQGUECQBHRG-GJSJWPQCSA-N -1 3 312.315 4.370 20 30 DIEDHM CC(=NNc1cccc(F)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000795006283 1043280237 /nfs/dbraw/zinc/28/02/37/1043280237.db2.gz LNXWYQAASZIUTK-UHFFFAOYSA-N -1 3 314.147 4.069 20 30 DIEDHM COc1cc(C(=O)/C=C/c2ccc(Cl)s2)c(OC)cc1[O-] ZINC000122520942 1043311162 /nfs/dbraw/zinc/31/11/62/1043311162.db2.gz MIVNZHGLNAWLNA-HWKANZROSA-N -1 3 324.785 4.020 20 30 DIEDHM C[C@H](Nc1cccc(OCCCC#N)c1)c1cccc([O-])c1F ZINC000872057390 1043439594 /nfs/dbraw/zinc/43/95/94/1043439594.db2.gz XWIICPBUQYZHNR-ZDUSSCGKSA-N -1 3 314.360 4.387 20 30 DIEDHM N#CC[C@@H](CC(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000356569290 1043851577 /nfs/dbraw/zinc/85/15/77/1043851577.db2.gz TXOJTEYEMQXDLZ-ZDUSSCGKSA-N -1 3 314.772 4.072 20 30 DIEDHM CCc1cccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1[O-] ZINC000562289488 1044096542 /nfs/dbraw/zinc/09/65/42/1044096542.db2.gz RTRLDDDXXOAEJU-SFHVURJKSA-N -1 3 322.408 4.120 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/CCc1nc2ccccc2s1 ZINC000005402681 1044391182 /nfs/dbraw/zinc/39/11/82/1044391182.db2.gz HEYUCHAZYHHCQL-VCHYOVAHSA-N -1 3 316.813 4.317 20 30 DIEDHM N#CC(=C([O-])c1cncc2ccccc21)c1nccc2ccccc21 ZINC000361541674 1044417760 /nfs/dbraw/zinc/41/77/60/1044417760.db2.gz RSVMDVJZTJLWTJ-SFHVURJKSA-N -1 3 323.355 4.273 20 30 DIEDHM Cc1cccc(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)c1C ZINC001202695691 1044476331 /nfs/dbraw/zinc/47/63/31/1044476331.db2.gz XHUSXSQNRHHXCD-UHFFFAOYSA-N -1 3 312.373 4.105 20 30 DIEDHM CCc1sc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cc1C ZINC000568406141 1044621870 /nfs/dbraw/zinc/62/18/70/1044621870.db2.gz OFJKTZOHZPNKGV-GFCCVEGCSA-N -1 3 323.421 4.294 20 30 DIEDHM C=C(C)CN(CC)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000578541061 1045251863 /nfs/dbraw/zinc/25/18/63/1045251863.db2.gz WREWTAAOKLIZMK-CYBMUJFWSA-N -1 3 302.201 4.017 20 30 DIEDHM CSc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)o1 ZINC000901369922 1045710008 /nfs/dbraw/zinc/71/00/08/1045710008.db2.gz KMJXNRUWNWPBJG-UHFFFAOYSA-N -1 3 313.378 4.186 20 30 DIEDHM O=C([C@H]1CC[C@H](C2CCC2)CC1)N([O-])Cc1ccc(F)cc1 ZINC000901372636 1045711843 /nfs/dbraw/zinc/71/18/43/1045711843.db2.gz JUGNPIVIFQMPQT-WKILWMFISA-N -1 3 305.393 4.150 20 30 DIEDHM COc1cc(/C=C/C(=O)c2coc(C(C)C)n2)cc(Cl)c1[O-] ZINC000752888586 1045713015 /nfs/dbraw/zinc/71/30/15/1045713015.db2.gz MKGJXXYSGVEHLT-SNAWJCMRSA-N -1 3 321.760 4.062 20 30 DIEDHM Cc1oc(C)c(C(=O)N([O-])Cc2cccc3ccccc32)c1C ZINC000901371720 1045713139 /nfs/dbraw/zinc/71/31/39/1045713139.db2.gz VXJBWAKBDZQGFS-UHFFFAOYSA-N -1 3 309.365 4.390 20 30 DIEDHM C/C(=C/c1ccc(Cl)cc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371402 1045713289 /nfs/dbraw/zinc/71/32/89/1045713289.db2.gz BAKCKQLIHRLQKD-BENRWUELSA-N -1 3 319.763 4.300 20 30 DIEDHM CC[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccc(C)cc1 ZINC000901372431 1045713695 /nfs/dbraw/zinc/71/36/95/1045713695.db2.gz YZAYWAGKUDJIPC-MRXNPFEDSA-N -1 3 315.388 4.436 20 30 DIEDHM C=C1CCC(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000901378018 1045713900 /nfs/dbraw/zinc/71/39/00/1045713900.db2.gz GQCSSALMNQFHLP-UHFFFAOYSA-N -1 3 314.212 4.458 20 30 DIEDHM O=C(c1cc2cc(Cl)ccc2o1)N([O-])Cc1ccc(F)cc1 ZINC000901375514 1045714536 /nfs/dbraw/zinc/71/45/36/1045714536.db2.gz GRXXYVGCYZUKGM-UHFFFAOYSA-N -1 3 319.719 4.257 20 30 DIEDHM O=C(c1cc2c(cccc2F)s1)N([O-])Cc1ccc(F)cc1 ZINC000901376151 1045714899 /nfs/dbraw/zinc/71/48/99/1045714899.db2.gz PICQFDJHNPJERI-UHFFFAOYSA-N -1 3 319.332 4.211 20 30 DIEDHM CC(C)c1ccc(CCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901375627 1045715088 /nfs/dbraw/zinc/71/50/88/1045715088.db2.gz HZJJRGXNJUIFJR-UHFFFAOYSA-N -1 3 315.388 4.300 20 30 DIEDHM CC[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901374185 1045715657 /nfs/dbraw/zinc/71/56/57/1045715657.db2.gz GIQKXYIDKCNFAC-OAHLLOKOSA-N -1 3 301.361 4.127 20 30 DIEDHM Cc1cc(C(=O)/C=C/c2cnc(C3CCC3)s2)cc(O)c1[O-] ZINC000901526429 1045756095 /nfs/dbraw/zinc/75/60/95/1045756095.db2.gz WBVCIFLOIKCABL-AATRIKPKSA-N -1 3 315.394 4.026 20 30 DIEDHM [O-]c1c(O)ccc(C=Nc2cccc(C(F)F)c2Cl)c1O ZINC000753992876 1045830449 /nfs/dbraw/zinc/83/04/49/1045830449.db2.gz BDZJTHIARYQVCK-UHFFFAOYSA-N -1 3 313.687 4.145 20 30 DIEDHM Cc1[nH]c(-c2ccccc2)nc1C(=O)C=Cc1ccc([O-])c(F)c1 ZINC000755587582 1045998813 /nfs/dbraw/zinc/99/88/13/1045998813.db2.gz VLKKYWGIHQWCIT-CSKARUKUSA-N -1 3 322.339 4.126 20 30 DIEDHM Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1ccc([O-])c(F)c1 ZINC000755587582 1045998829 /nfs/dbraw/zinc/99/88/29/1045998829.db2.gz VLKKYWGIHQWCIT-CSKARUKUSA-N -1 3 322.339 4.126 20 30 DIEDHM CC(C)c1nc(/C=C\C(=O)c2ccc([O-])cc2)c2ccccn21 ZINC000755625206 1046002451 /nfs/dbraw/zinc/00/24/51/1046002451.db2.gz HHVHUIOYOOMODB-KHPPLWFESA-N -1 3 306.365 4.059 20 30 DIEDHM C=CCn1c(S[C@H](C)c2cccc3ccccc32)n[n-]c1=O ZINC000532103943 1046098931 /nfs/dbraw/zinc/09/89/31/1046098931.db2.gz ICXGSKKVLOYYRY-GFCCVEGCSA-N -1 3 311.410 4.176 20 30 DIEDHM CCc1ccc(C(CC)N=Nc2nc3ccccc3c(=O)[n-]2)cc1 ZINC000757584777 1046189592 /nfs/dbraw/zinc/18/95/92/1046189592.db2.gz UUJCAKOMXRSIOM-UHFFFAOYSA-N -1 3 320.396 4.124 20 30 DIEDHM COc1cc(C(=O)/C=C\c2c(C)oc3ccccc23)ccc1[O-] ZINC000759074452 1046315975 /nfs/dbraw/zinc/31/59/75/1046315975.db2.gz DOQKAWCUMJJOLR-NTMALXAHSA-N -1 3 308.333 4.352 20 30 DIEDHM COc1cc(N=Cc2cc(Br)ccc2[O-])ccc1F ZINC000780150649 1046348737 /nfs/dbraw/zinc/34/87/37/1046348737.db2.gz XFMBOYNHCAKHGE-UHFFFAOYSA-N -1 3 324.149 4.053 20 30 DIEDHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(C#N)cc1 ZINC000749063333 1046426491 /nfs/dbraw/zinc/42/64/91/1046426491.db2.gz MNIYOEZFHJIMFR-MRVPVSSYSA-N -1 3 309.152 4.111 20 30 DIEDHM Cc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1F ZINC000041554093 1046452515 /nfs/dbraw/zinc/45/25/15/1046452515.db2.gz JQKIILLGXQREFQ-LBPRGKRZSA-N -1 3 322.261 4.038 20 30 DIEDHM C=CC[C@@H]1N(C(=O)c2cccc(CC)c2[O-])CCCC1(C)C ZINC001139510745 1046457734 /nfs/dbraw/zinc/45/77/34/1046457734.db2.gz DLLVPOJUUYSDTP-INIZCTEOSA-N -1 3 301.430 4.162 20 30 DIEDHM CCOc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1F ZINC000782326343 1046518802 /nfs/dbraw/zinc/51/88/02/1046518802.db2.gz PIALXEZDRXUQMQ-DAXSKMNVSA-N -1 3 300.329 4.135 20 30 DIEDHM COc1cc(C(=O)/C=C/c2cc(C)c3ncccc3c2)ccc1[O-] ZINC000783699821 1046624375 /nfs/dbraw/zinc/62/43/75/1046624375.db2.gz MTFSIMWUIBDMLV-FNORWQNLSA-N -1 3 319.360 4.154 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2Cl)ccc1[O-] ZINC000783708527 1046625413 /nfs/dbraw/zinc/62/54/13/1046625413.db2.gz ZBFNYEHBZXDNIR-CLTKARDFSA-N -1 3 317.728 4.158 20 30 DIEDHM Cc1ccc(F)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000075438697 1046810679 /nfs/dbraw/zinc/81/06/79/1046810679.db2.gz GCXGDXHECGXRRG-ZDUSSCGKSA-N -1 3 322.261 4.038 20 30 DIEDHM CC(=NOCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000839419534 1047225276 /nfs/dbraw/zinc/22/52/76/1047225276.db2.gz GZQCFVVEWCDXEL-UHFFFAOYSA-N -1 3 320.186 4.096 20 30 DIEDHM N#CCCN(Cc1cc(F)c(F)cc1[O-])C1CCCCCCC1 ZINC001142520273 1047291592 /nfs/dbraw/zinc/29/15/92/1047291592.db2.gz FEGBGBUNQMICDH-UHFFFAOYSA-N -1 3 322.399 4.499 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\C1=Cc2ccccc2OC1 ZINC000726743299 1047378313 /nfs/dbraw/zinc/37/83/13/1047378313.db2.gz CGZWBACWGRYKSZ-HOXUKUGESA-N -1 3 322.335 4.234 20 30 DIEDHM C=C(CC(C)C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001159555753 1047868726 /nfs/dbraw/zinc/86/87/26/1047868726.db2.gz BFURSHDGWPBHMU-UHFFFAOYSA-N -1 3 312.207 4.004 20 30 DIEDHM CCCCN([O-])C(=O)CSc1cc(Cl)ccc1Cl ZINC001184314905 1048021453 /nfs/dbraw/zinc/02/14/53/1048021453.db2.gz OFVFQZYNCYJOSD-UHFFFAOYSA-N -1 3 308.230 4.103 20 30 DIEDHM CCCCN([O-])C(=O)CCCSc1ccc(Cl)cc1 ZINC001184315212 1048022539 /nfs/dbraw/zinc/02/25/39/1048022539.db2.gz UZPRUZVDTPPHPD-UHFFFAOYSA-N -1 3 301.839 4.230 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H](C)CSCc1ccccc1 ZINC001184305535 1048022483 /nfs/dbraw/zinc/02/24/83/1048022483.db2.gz LBZCWOOHAFAXQF-HNNXBMFYSA-N -1 3 309.475 4.354 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC001184305295 1048022957 /nfs/dbraw/zinc/02/29/57/1048022957.db2.gz DYDHOGVQMLSOLJ-ZDUSSCGKSA-N -1 3 313.825 4.214 20 30 DIEDHM Cc1cccc([C@H](C)C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001184283300 1048026163 /nfs/dbraw/zinc/02/61/63/1048026163.db2.gz FWFRJNCPSYDCFI-ZDUSSCGKSA-N -1 3 303.789 4.170 20 30 DIEDHM CCC[C@@H]1CCC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293196 1048026411 /nfs/dbraw/zinc/02/64/11/1048026411.db2.gz JGIXHQKCOAAOPC-MSOLQXFVSA-N -1 3 303.446 4.444 20 30 DIEDHM Cc1ccc(CCCC(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001184284067 1048027084 /nfs/dbraw/zinc/02/70/84/1048027084.db2.gz XXDNXFOAYRDBOH-UHFFFAOYSA-N -1 3 317.816 4.389 20 30 DIEDHM C[C@@H](CC(=O)N([O-])CCCCc1ccccc1)c1ccco1 ZINC001184293398 1048027489 /nfs/dbraw/zinc/02/74/89/1048027489.db2.gz QWSFAIQLSBUOFY-HNNXBMFYSA-N -1 3 301.386 4.014 20 30 DIEDHM O=C([C@H]1CCCC[C@H]1C1CC1)N([O-])CCCCc1ccccc1 ZINC001184293280 1048029103 /nfs/dbraw/zinc/02/91/03/1048029103.db2.gz MQGPMOAYIGABRJ-OALUTQOASA-N -1 3 315.457 4.444 20 30 DIEDHM N#Cc1c2c(sc1Nc1c(F)cc([O-])cc1F)CCCC2 ZINC001175094628 1048141580 /nfs/dbraw/zinc/14/15/80/1048141580.db2.gz KLJCPXRDPAKVDE-UHFFFAOYSA-N -1 3 306.337 4.226 20 30 DIEDHM CCCCN([O-])C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC001161826587 1048179539 /nfs/dbraw/zinc/17/95/39/1048179539.db2.gz GQZTXLOVJLQSDO-UHFFFAOYSA-N -1 3 317.385 4.107 20 30 DIEDHM CCCCCCN([O-])C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC001161826621 1048180704 /nfs/dbraw/zinc/18/07/04/1048180704.db2.gz HVXVAWXCVQOMTJ-UHFFFAOYSA-N -1 3 324.730 4.166 20 30 DIEDHM O=C(c1coc2ccc(Cl)cc21)N([O-])Cc1ccc(F)cc1 ZINC001161842752 1048182516 /nfs/dbraw/zinc/18/25/16/1048182516.db2.gz NJGODTKCIRJWAN-UHFFFAOYSA-N -1 3 319.719 4.257 20 30 DIEDHM N#Cc1cnoc1[N-]c1c(F)cccc1OCc1ccccc1 ZINC001175278490 1048225659 /nfs/dbraw/zinc/22/56/59/1048225659.db2.gz APMVUFVTACKZKS-UHFFFAOYSA-N -1 3 309.300 4.008 20 30 DIEDHM CCOc1ncc(Cl)cc1[N-]c1onc(C(C)(C)C)c1C#N ZINC001201507300 1048292032 /nfs/dbraw/zinc/29/20/32/1048292032.db2.gz GLIVBNCNCLCVEH-UHFFFAOYSA-N -1 3 320.780 4.034 20 30 DIEDHM CCCCCCCCS(=O)(=O)Nc1cccc([O-])c1Cl ZINC001188018092 1048467546 /nfs/dbraw/zinc/46/75/46/1048467546.db2.gz SXNQJXIABZWOPY-UHFFFAOYSA-N -1 3 319.854 4.148 20 30 DIEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001202262844 1048495200 /nfs/dbraw/zinc/49/52/00/1048495200.db2.gz HIIMMYZXFKQIIU-UHFFFAOYSA-N -1 3 322.151 4.215 20 30 DIEDHM CCCCCCCC[C@@H](O)CNc1cc([O-])c(F)cc1F ZINC001252133428 1048590796 /nfs/dbraw/zinc/59/07/96/1048590796.db2.gz ORRUBEFJAYIICI-GFCCVEGCSA-N -1 3 301.377 4.194 20 30 DIEDHM C=CCCO[N-]C(=O)CCCc1cc(Cl)sc1Cl ZINC000856032102 1049074725 /nfs/dbraw/zinc/07/47/25/1049074725.db2.gz GSKONXJFUZZPJX-UHFFFAOYSA-N -1 3 308.230 4.002 20 30 DIEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])c1ccccc1 ZINC000100211041 1049253387 /nfs/dbraw/zinc/25/33/87/1049253387.db2.gz OISFOSGBMZIRQI-VBYYMIJXSA-N -1 3 304.187 4.335 20 30 DIEDHM CC(C)c1ccc(Cl)c(C(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001193861183 1049276737 /nfs/dbraw/zinc/27/67/37/1049276737.db2.gz YITKEGOAAOIJIX-UHFFFAOYSA-N -1 3 314.772 4.293 20 30 DIEDHM COCOc1ccc(-c2ccc(/C(C)=N/[O-])cc2)cc1Cl ZINC001205055522 1049355680 /nfs/dbraw/zinc/35/56/80/1049355680.db2.gz VOZIKOYHADPYSX-WOJGMQOQSA-N -1 3 305.761 4.188 20 30 DIEDHM N#Cc1ccc(-c2ccc([O-])cc2C(F)(F)F)c2cc[nH]c21 ZINC001205098475 1049375224 /nfs/dbraw/zinc/37/52/24/1049375224.db2.gz PJJXOKZSBRKJOP-UHFFFAOYSA-N -1 3 302.255 4.431 20 30 DIEDHM CC(N=Nc1nc2ccccc2[n-]c1=S)C1CCSCC1 ZINC000863128910 1049534601 /nfs/dbraw/zinc/53/46/01/1049534601.db2.gz RKYZLEIVAWTGPN-UHFFFAOYSA-N -1 3 318.471 4.223 20 30 DIEDHM COc1ccc(C#N)cc1Nc1ccc([O-])c(C(F)(F)F)c1 ZINC001209987572 1050117574 /nfs/dbraw/zinc/11/75/74/1050117574.db2.gz UHGHXNWCKGQMAC-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM COc1cc(C(=O)/C=C/c2cnc(C3CCC3)s2)ccc1[O-] ZINC000157221542 1050117637 /nfs/dbraw/zinc/11/76/37/1050117637.db2.gz LQFKNXMAJKYBCO-SOFGYWHQSA-N -1 3 315.394 4.021 20 30 DIEDHM CC1(C)CC(=O)C=C(Nc2cc(Cl)c([O-])cc2Cl)C1 ZINC001210153045 1050145072 /nfs/dbraw/zinc/14/50/72/1050145072.db2.gz IGMAIHYGZKKLIK-UHFFFAOYSA-N -1 3 300.185 4.384 20 30 DIEDHM N#Cc1cc(OC(F)(F)F)ccc1Nc1cccc(F)c1[O-] ZINC001210203838 1050156727 /nfs/dbraw/zinc/15/67/27/1050156727.db2.gz KBWIIKYJSVWIGD-UHFFFAOYSA-N -1 3 312.222 4.045 20 30 DIEDHM N#Cc1ccc(Nc2cccc(Cl)c2[O-])c(Br)c1 ZINC001210220227 1050163798 /nfs/dbraw/zinc/16/37/98/1050163798.db2.gz PJOXRLUSJNSPNF-UHFFFAOYSA-N -1 3 323.577 4.423 20 30 DIEDHM Cc1cc(C#N)cc(Nc2cccc([O-])c2Br)c1 ZINC001210392709 1050230638 /nfs/dbraw/zinc/23/06/38/1050230638.db2.gz LTJIJUBVEXJAHB-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM COc1cc(Cl)c(Nc2ccc([O-])c(C#N)c2)c(Cl)c1 ZINC001210533277 1050284384 /nfs/dbraw/zinc/28/43/84/1050284384.db2.gz OQFIGVXZTDMQNG-UHFFFAOYSA-N -1 3 309.152 4.323 20 30 DIEDHM N#Cc1cc(Nc2cccc(C(=O)c3ccccc3)c2)ccc1[O-] ZINC001210529792 1050284477 /nfs/dbraw/zinc/28/44/77/1050284477.db2.gz WTKDRWTZSQKBME-UHFFFAOYSA-N -1 3 314.344 4.238 20 30 DIEDHM N#Cc1cc(Nc2cc(Cl)c(Cl)cc2C#N)ccc1[O-] ZINC001210534744 1050285228 /nfs/dbraw/zinc/28/52/28/1050285228.db2.gz RLCZMXMXOVLWKM-UHFFFAOYSA-N -1 3 304.136 4.186 20 30 DIEDHM Cc1ccc(Nc2cc([O-])ccc2Br)c(C#N)c1 ZINC001210567096 1050298938 /nfs/dbraw/zinc/29/89/38/1050298938.db2.gz XDUZAKHGODNMEO-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM COc1cc(NN=C(C)c2cc(F)ccc2[O-])ccc1Cl ZINC000788472308 1050687319 /nfs/dbraw/zinc/68/73/19/1050687319.db2.gz RSURBZTVFDENEA-UHFFFAOYSA-N -1 3 308.740 4.029 20 30 DIEDHM C=CCCCCCCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001144794851 1050713388 /nfs/dbraw/zinc/71/33/88/1050713388.db2.gz SFSZFTXKBWFWSN-UHFFFAOYSA-N -1 3 318.343 4.069 20 30 DIEDHM C=CCCCCCCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001144794851 1050713406 /nfs/dbraw/zinc/71/34/06/1050713406.db2.gz SFSZFTXKBWFWSN-UHFFFAOYSA-N -1 3 318.343 4.069 20 30 DIEDHM COCc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1 ZINC000741848447 1050753304 /nfs/dbraw/zinc/75/33/04/1050753304.db2.gz LWDQJIVICLQGJQ-LUHPIMIVSA-N -1 3 312.340 4.061 20 30 DIEDHM COc1cc(C(=O)/C=C\c2ccc(OCC3CC3)cc2)ccc1[O-] ZINC000790216697 1050929150 /nfs/dbraw/zinc/92/91/50/1050929150.db2.gz TWFBQXAZWAGASC-POHAHGRESA-N -1 3 324.376 4.086 20 30 DIEDHM N#CCc1ccc(C(F)(F)F)cc1-c1c(F)ccc([O-])c1F ZINC001241293499 1050969851 /nfs/dbraw/zinc/96/98/51/1050969851.db2.gz HRBWDSVBCMCKEB-UHFFFAOYSA-N -1 3 313.225 4.422 20 30 DIEDHM CO[C@@H]1CCOc2c(N=Cc3cc(Cl)ccc3[O-])cccc21 ZINC000790598014 1050976419 /nfs/dbraw/zinc/97/64/19/1050976419.db2.gz IGCNBZROVKJBRM-MRXNPFEDSA-N -1 3 317.772 4.266 20 30 DIEDHM C[C@H](C/N=C/c1cc(Cl)ccc1[O-])Oc1ccccc1F ZINC000743042552 1050978370 /nfs/dbraw/zinc/97/83/70/1050978370.db2.gz MBAJDMKCSFOHJY-VURRPDKYSA-N -1 3 307.752 4.071 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N\CCOc1ccc(Cl)cc1 ZINC000743334040 1051015080 /nfs/dbraw/zinc/01/50/80/1051015080.db2.gz ICFLZYCMRXOMMG-ZDLGFXPLSA-N -1 3 310.180 4.197 20 30 DIEDHM N#Cc1cc([O-])ccc1Nc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001215582966 1051257693 /nfs/dbraw/zinc/25/76/93/1051257693.db2.gz SUZWOKZCEFRNDS-UHFFFAOYSA-N -1 3 324.123 4.222 20 30 DIEDHM Cc1ccc(Nc2c([O-])cccc2Br)cc1C#N ZINC001216076063 1051566078 /nfs/dbraw/zinc/56/60/78/1051566078.db2.gz OEKSIFHAAWPMFP-UHFFFAOYSA-N -1 3 303.159 4.078 20 30 DIEDHM C=CCOC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)c(F)c1 ZINC001212592579 1051666878 /nfs/dbraw/zinc/66/68/78/1051666878.db2.gz XDKXOWPHXASTLW-UHFFFAOYSA-N -1 3 321.735 4.271 20 30 DIEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCOC2(CCCCC2)C1 ZINC000767691194 1051837862 /nfs/dbraw/zinc/83/78/62/1051837862.db2.gz SKPSEMCREQJSMB-UZUMKDMXSA-N -1 3 307.821 4.346 20 30 DIEDHM COc1c(Nc2cc(C#N)ccc2[O-])cccc1C(F)(F)F ZINC001216635198 1051845015 /nfs/dbraw/zinc/84/50/15/1051845015.db2.gz NUHGXFGACGSJJH-UHFFFAOYSA-N -1 3 308.259 4.035 20 30 DIEDHM CC(C)c1cccc(-c2nc(-c3cccc(C#N)c3)no2)c1[O-] ZINC001217014908 1051929620 /nfs/dbraw/zinc/92/96/20/1051929620.db2.gz QQRNAONCSPMXSK-UHFFFAOYSA-N -1 3 305.337 4.104 20 30 DIEDHM N#Cc1ccc([O-])c(Nc2ccc(C(=O)c3ccccc3)cc2)c1 ZINC001174225578 1052060905 /nfs/dbraw/zinc/06/09/05/1052060905.db2.gz HUXHKYAATNSCBL-UHFFFAOYSA-N -1 3 314.344 4.238 20 30 DIEDHM CCSc1cccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000769742803 1052104417 /nfs/dbraw/zinc/10/44/17/1052104417.db2.gz OUVUHIGOLHQSSC-VQHVLOKHSA-N -1 3 314.406 4.409 20 30 DIEDHM CCSc1cccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000769742801 1052105379 /nfs/dbraw/zinc/10/53/79/1052105379.db2.gz OUVUHIGOLHQSSC-CLFYSBASSA-N -1 3 314.406 4.409 20 30 DIEDHM CCOCc1ccccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000914600380 1052189181 /nfs/dbraw/zinc/18/91/81/1052189181.db2.gz SQYSBKZUVFTAQR-YBFXNURJSA-N -1 3 303.789 4.201 20 30 DIEDHM [O-]/N=C(/c1ccccc1)[C@H](OCc1ccncc1)c1ccccc1 ZINC001222124494 1052446620 /nfs/dbraw/zinc/44/66/20/1052446620.db2.gz VOBGOXZBOQZHNH-VZFXBBDVSA-N -1 3 318.376 4.218 20 30 DIEDHM Cc1cccc(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC001649026256 1052537300 /nfs/dbraw/zinc/53/73/00/1052537300.db2.gz VNRMZXRJZYQWFE-UHFFFAOYSA-N -1 3 324.207 4.262 20 30 DIEDHM CCC[C@@H](O/C(=N\[O-])c1ccccc1Br)C(C)C ZINC001223884444 1052646972 /nfs/dbraw/zinc/64/69/72/1052646972.db2.gz JYIUXSPJAKRLCQ-XUVDNFPMSA-N -1 3 314.223 4.426 20 30 DIEDHM CCC[C@@H](CC)O/C(=N\[O-])c1ccccc1Br ZINC001223884160 1052647124 /nfs/dbraw/zinc/64/71/24/1052647124.db2.gz CUKQHKFBZUZBTK-QMLLPTRZSA-N -1 3 300.196 4.180 20 30 DIEDHM CC(C)C[C@H](C)O/C(=N\[O-])c1ccccc1Br ZINC001223884638 1052647429 /nfs/dbraw/zinc/64/74/29/1052647429.db2.gz OCWWSPLXQADQSE-ZSNVJIKNSA-N -1 3 300.196 4.036 20 30 DIEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1O/C(=N\[O-])c1cc(F)ccc1F ZINC001223890468 1052647641 /nfs/dbraw/zinc/64/76/41/1052647641.db2.gz VCLZVGJLQYUAHX-DKIVCGSSSA-N -1 3 309.356 4.498 20 30 DIEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1cccc(C(F)(F)F)c1 ZINC001223976047 1052657069 /nfs/dbraw/zinc/65/70/69/1052657069.db2.gz LECAEDVYNAKOPH-JEPWKTLESA-N -1 3 310.275 4.014 20 30 DIEDHM COCCCCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001224318910 1052688567 /nfs/dbraw/zinc/68/85/67/1052688567.db2.gz BRENYXCATTWWJE-LAFOYAEKSA-N -1 3 313.397 4.049 20 30 DIEDHM COc1cc(C(=O)/C=C\c2ccccc2OCC2CC2)ccc1[O-] ZINC000920388360 1052937721 /nfs/dbraw/zinc/93/77/21/1052937721.db2.gz ZWTKRWCWXNMCHJ-NTMALXAHSA-N -1 3 324.376 4.086 20 30 DIEDHM [O-]c1c(O)ccc(C=Nc2ccc(-c3ccccc3)cc2)c1O ZINC000920945968 1052956487 /nfs/dbraw/zinc/95/64/87/1052956487.db2.gz MBDLWTZESLYMTJ-UHFFFAOYSA-N -1 3 305.333 4.221 20 30 DIEDHM Cc1sc([N-]C(=O)c2ncoc2-c2ccccc2)c(C#N)c1C ZINC000609558535 1052982401 /nfs/dbraw/zinc/98/24/01/1052982401.db2.gz KZKNIXKWCQJKPQ-UHFFFAOYSA-N -1 3 323.377 4.144 20 30 DIEDHM C#C[C@H](Oc1c([O-])cc(Br)cc1F)c1ccccc1 ZINC001227588372 1053003074 /nfs/dbraw/zinc/00/30/74/1053003074.db2.gz RUROCRRHJYRLDH-AWEZNQCLSA-N -1 3 321.145 4.047 20 30 DIEDHM C#C[C@@H](CC)Oc1ccccc1N=CC=Nc1ccccc1[O-] ZINC001228122380 1053045643 /nfs/dbraw/zinc/04/56/43/1053045643.db2.gz CMCCYUIRHGTXAM-HNNXBMFYSA-N -1 3 306.365 4.288 20 30 DIEDHM [O-]c1ccccc1N=CC=Nc1ccccc1OC[C@H]1CCCO1 ZINC001228125978 1053045679 /nfs/dbraw/zinc/04/56/79/1053045679.db2.gz WGKWOFSFLYHNOA-OAHLLOKOSA-N -1 3 324.380 4.055 20 30 DIEDHM C[C@H](CS)Oc1ccccc1N=CC=Nc1ccccc1[O-] ZINC001228126313 1053045816 /nfs/dbraw/zinc/04/58/16/1053045816.db2.gz DWJYINUWWHUHRS-CYBMUJFWSA-N -1 3 314.410 4.194 20 30 DIEDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)CC(C)(C)S ZINC001228135438 1053046410 /nfs/dbraw/zinc/04/64/10/1053046410.db2.gz CHRUWNVCJMHBGG-LLVKDONJSA-N -1 3 310.459 4.413 20 30 DIEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H](C#N)c1ccccc1 ZINC001228958991 1053212797 /nfs/dbraw/zinc/21/27/97/1053212797.db2.gz QAYLYLDHHSFTLJ-IBGZPJMESA-N -1 3 309.365 4.362 20 30 DIEDHM C#C[C@@H](Oc1cc([O-])c(C(C)C)cc1C(C)=O)c1ccccc1 ZINC001228958626 1053213754 /nfs/dbraw/zinc/21/37/54/1053213754.db2.gz NMZNUUCVZKPWAG-LJQANCHMSA-N -1 3 308.377 4.472 20 30 DIEDHM CCCCN(CCC#N)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236795526 1053259109 /nfs/dbraw/zinc/25/91/09/1053259109.db2.gz FXEMDCOMEPFPAC-UHFFFAOYSA-N -1 3 301.217 4.215 20 30 DIEDHM Cc1cc(C(=O)/C=C\c2nc3c(s2)C[C@@H](C)CC3)ccc1[O-] ZINC001320397758 1053331052 /nfs/dbraw/zinc/33/10/52/1053331052.db2.gz FGPJJJHUJSIGKQ-TVRMLOFPSA-N -1 3 313.422 4.178 20 30 DIEDHM Cc1ccc(C(=O)c2ccc([O-])c(O[C@@H]3CC[C@H](C#N)C3)c2)cc1 ZINC001229542764 1053350240 /nfs/dbraw/zinc/35/02/40/1053350240.db2.gz OXCSRLUFWVYUAP-WMLDXEAASA-N -1 3 321.376 4.003 20 30 DIEDHM C[C@H](Oc1ccccc1/C=N/c1ccccc1[O-])c1ncccn1 ZINC001229933223 1053434626 /nfs/dbraw/zinc/43/46/26/1053434626.db2.gz NNBVASGDAUNISJ-KOUDTOEKSA-N -1 3 319.364 4.073 20 30 DIEDHM N#C[C@H]1CC[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229934401 1053434805 /nfs/dbraw/zinc/43/48/05/1053434805.db2.gz YROOWKCLGREDSP-GHRJMITJSA-N -1 3 306.365 4.214 20 30 DIEDHM C=C[C@@H](C)O[N-]C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001300210572 1053487800 /nfs/dbraw/zinc/48/78/00/1053487800.db2.gz IPWCNXQJNMUMHT-LLVKDONJSA-N -1 3 316.228 4.329 20 30 DIEDHM C=C[C@H](C)Oc1cc(C(=O)c2ccc(Cl)cc2)ccc1[O-] ZINC001230454231 1053541593 /nfs/dbraw/zinc/54/15/93/1053541593.db2.gz TVOASJITYPETED-NSHDSACASA-N -1 3 302.757 4.230 20 30 DIEDHM CCCCCCCCCNC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001200377630 1053607752 /nfs/dbraw/zinc/60/77/52/1053607752.db2.gz FJPLBTGCROZGFY-UHFFFAOYSA-N -1 3 319.474 4.301 20 30 DIEDHM C#C[C@H](Oc1ccccc1Oc1ccccc1[O-])c1ccncc1 ZINC001231223978 1053706064 /nfs/dbraw/zinc/70/60/64/1053706064.db2.gz UWWVPAKFYGXVTD-KRWDZBQOSA-N -1 3 317.344 4.333 20 30 DIEDHM C[C@@H]1CC[C@H](C(=O)N([O-])CCCCc2ccccc2)C[C@H]1C ZINC001472619300 1053839130 /nfs/dbraw/zinc/83/91/30/1053839130.db2.gz GQMGCJSHRUQNBK-NUJGCVRESA-N -1 3 303.446 4.299 20 30 DIEDHM CCCCCCN([O-])C(=O)COc1cc(C)ccc1C(C)C ZINC001472619281 1053844515 /nfs/dbraw/zinc/84/45/15/1053844515.db2.gz FLDZMJLEZOMGNO-UHFFFAOYSA-N -1 3 307.434 4.295 20 30 DIEDHM N#CCN(Cc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC001231880894 1053907157 /nfs/dbraw/zinc/90/71/57/1053907157.db2.gz MQMKXEJZGRTNEH-UHFFFAOYSA-N -1 3 302.377 4.071 20 30 DIEDHM O=C([C@H]1CCC[C@@H](F)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001332031078 1054105724 /nfs/dbraw/zinc/10/57/24/1054105724.db2.gz VCUSCVDFBAJCLR-GXFFZTMASA-N -1 3 320.191 4.240 20 30 DIEDHM C=CCCN(Cc1ccccc1)Cc1ccc(F)c([O-])c1F ZINC001232934475 1054149283 /nfs/dbraw/zinc/14/92/83/1054149283.db2.gz GMOUCQBRNCXUFF-UHFFFAOYSA-N -1 3 303.352 4.249 20 30 DIEDHM CN(Cc1ccc(C#N)cc1[O-])Cc1cccc(Cl)c1Cl ZINC001233386137 1054256373 /nfs/dbraw/zinc/25/63/73/1054256373.db2.gz HIRFIUPZYHHMKQ-UHFFFAOYSA-N -1 3 321.207 4.203 20 30 DIEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1Cc2cccc3cccc1c23 ZINC001233798825 1054361634 /nfs/dbraw/zinc/36/16/34/1054361634.db2.gz AHSIWLHGGVMJBC-AGKWGAAGSA-N -1 3 319.360 4.333 20 30 DIEDHM CCOc1ccc([C@@H](C)Oc2ccc(/C=N/[O-])cc2OC)cc1 ZINC001233803880 1054364088 /nfs/dbraw/zinc/36/40/88/1054364088.db2.gz UHURJHUBRCTHLC-KZKLBEMASA-N -1 3 315.369 4.042 20 30 DIEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001440834609 1054370429 /nfs/dbraw/zinc/37/04/29/1054370429.db2.gz SXHFGNILPPOREP-UHFFFAOYSA-N -1 3 309.409 4.344 20 30 DIEDHM CC(C)Oc1ccc(COc2cc([O-])cc(C#N)c2)cc1Cl ZINC001234144948 1054439002 /nfs/dbraw/zinc/43/90/02/1054439002.db2.gz XUBOAXLILGZKKZ-UHFFFAOYSA-N -1 3 317.772 4.283 20 30 DIEDHM Cc1ccc([C@@H](Oc2cc([O-])cc(C#N)c2)C(F)(F)F)cc1 ZINC001234144888 1054439209 /nfs/dbraw/zinc/43/92/09/1054439209.db2.gz WWORSCRKGOENIN-OAHLLOKOSA-N -1 3 307.271 4.255 20 30 DIEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1c(Cl)cncc1Cl ZINC001234144396 1054439493 /nfs/dbraw/zinc/43/94/93/1054439493.db2.gz NDYXQWNKXKTKNW-QMMMGPOBSA-N -1 3 309.152 4.106 20 30 DIEDHM C=CC[C@@H](CCCC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792510 1054592621 /nfs/dbraw/zinc/59/26/21/1054592621.db2.gz CEYOJPMSGZZXAS-AWEZNQCLSA-N -1 3 306.402 4.426 20 30 DIEDHM C=CCc1ccnc(-c2cc([O-])cc(Cl)c2)c1C(OC)OC ZINC001235900668 1054840812 /nfs/dbraw/zinc/84/08/12/1054840812.db2.gz ZVPCRGVZXQWNMF-UHFFFAOYSA-N -1 3 319.788 4.128 20 30 DIEDHM C=CCCC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC001537027515 1055211668 /nfs/dbraw/zinc/21/16/68/1055211668.db2.gz ZUCGXWTUXFEEAJ-GFCCVEGCSA-N -1 3 303.299 4.101 20 30 DIEDHM CC(C)n1cc2c(n1)[C@@H](/N=C\c1cc(Cl)ccc1[O-])CCC2 ZINC000764888188 1055283349 /nfs/dbraw/zinc/28/33/49/1055283349.db2.gz QPMABDHTMOLWHH-VRKJEAOJSA-N -1 3 317.820 4.320 20 30 DIEDHM Cc1ccsc1CCCC(=O)N([O-])Cc1ccccc1Cl ZINC001649046151 1055751204 /nfs/dbraw/zinc/75/12/04/1055751204.db2.gz MGABQIOLDCOWPM-UHFFFAOYSA-N -1 3 323.845 4.451 20 30 DIEDHM C/C(=N\[O-])c1ccc(-c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC001238846356 1055767655 /nfs/dbraw/zinc/76/76/55/1055767655.db2.gz VHHYXVSMGOTEIW-UFFVCSGVSA-N -1 3 304.271 4.442 20 30 DIEDHM CC1=C(C)C[C@H](C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC001649051964 1055768623 /nfs/dbraw/zinc/76/86/23/1055768623.db2.gz MVDLHSDHHJKAPO-GOSISDBHSA-N -1 3 301.430 4.364 20 30 DIEDHM O=C([C@H]1CCCC(F)(F)C1)N([O-])CCCCc1ccccc1 ZINC001649052275 1055769788 /nfs/dbraw/zinc/76/97/88/1055769788.db2.gz WFGTUDUBQAKASI-HNNXBMFYSA-N -1 3 311.372 4.053 20 30 DIEDHM C=CCC[C@@H](NC(=O)c1ccc(CC)cc1[O-])c1ccccc1 ZINC001566620627 1055776269 /nfs/dbraw/zinc/77/62/69/1055776269.db2.gz CPJBJBRGGMFNQV-GOSISDBHSA-N -1 3 309.409 4.392 20 30 DIEDHM CCCCN([O-])C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC001649061573 1055826396 /nfs/dbraw/zinc/82/63/96/1055826396.db2.gz SANLPAZWJZOEKX-AVJIGQEQSA-N -1 3 319.367 4.153 20 30 DIEDHM CSc1ccc(/C=C/C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC001649070365 1055879820 /nfs/dbraw/zinc/87/98/20/1055879820.db2.gz XWRQKTTUXRVVMC-SOFGYWHQSA-N -1 3 323.414 4.040 20 30 DIEDHM O=C(c1cccc(Cl)c1F)N([O-])Cc1ccccc1Cl ZINC001611650523 1056177874 /nfs/dbraw/zinc/17/78/74/1056177874.db2.gz AKEJNYOAEOTDGZ-UHFFFAOYSA-N -1 3 314.143 4.164 20 30 DIEDHM CCCCCCN([O-])C(=O)c1ccc(SC(F)(F)F)o1 ZINC001611655886 1056178743 /nfs/dbraw/zinc/17/87/43/1056178743.db2.gz WHUBNJRKVKPQTO-UHFFFAOYSA-N -1 3 311.325 4.303 20 30 DIEDHM CCCCN([O-])C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001611658075 1056178803 /nfs/dbraw/zinc/17/88/03/1056178803.db2.gz TYDDDASKTQPGGT-NEPJUHHUSA-N -1 3 302.201 4.115 20 30 DIEDHM CCCCN([O-])C(=O)CCCc1cc(Cl)sc1Cl ZINC001611658037 1056179231 /nfs/dbraw/zinc/17/92/31/1056179231.db2.gz RTMXHVKLEHLICN-UHFFFAOYSA-N -1 3 310.246 4.396 20 30 DIEDHM O=C(Nc1ccccc1)c1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001240113969 1056334673 /nfs/dbraw/zinc/33/46/73/1056334673.db2.gz JHSWJADXBIZDQV-KGENOOAVSA-N -1 3 316.360 4.414 20 30 DIEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001584397888 1056335132 /nfs/dbraw/zinc/33/51/32/1056335132.db2.gz KKGOWIBVHTVSTN-PBHICJAKSA-N -1 3 301.430 4.380 20 30 DIEDHM C=CCCCCCN(C)C(=O)c1cc2sccc2c([O-])c1 ZINC001586583485 1056763288 /nfs/dbraw/zinc/76/32/88/1056763288.db2.gz NOVKJEJOSCRLTH-UHFFFAOYSA-N -1 3 303.427 4.425 20 30 DIEDHM CCCCCCCC[C@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001617147550 1056783859 /nfs/dbraw/zinc/78/38/59/1056783859.db2.gz FSRBEEZCTJFXES-ZDUSSCGKSA-N -1 3 318.421 4.390 20 30 DIEDHM N#Cc1cccc(C(F)(F)F)c1Nc1cc(F)cc(F)c1[O-] ZINC001212489560 1056828458 /nfs/dbraw/zinc/82/84/58/1056828458.db2.gz RMBZLQZBRCGWPZ-UHFFFAOYSA-N -1 3 314.213 4.304 20 30 DIEDHM [O-]/N=C/c1ccc(F)c(-c2cccc(O[C@H]3CCCCO3)c2)c1 ZINC001241215586 1056964995 /nfs/dbraw/zinc/96/49/95/1056964995.db2.gz CMOOFDPRKOWMLW-TYJAPOHBSA-N -1 3 315.344 4.206 20 30 DIEDHM CCCc1nc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)co1 ZINC000282386801 1057064538 /nfs/dbraw/zinc/06/45/38/1057064538.db2.gz XCEDJEPFDZQQEB-UHFFFAOYSA-N -1 3 317.414 4.110 20 30 DIEDHM COc1c(C#N)c(F)ccc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242148455 1057279809 /nfs/dbraw/zinc/27/98/09/1057279809.db2.gz ZSZMDUCIVIWYRB-UHFFFAOYSA-N -1 3 311.234 4.097 20 30 DIEDHM N#Cc1ccc(Nc2cccc([O-])c2F)c(OC(F)(F)F)c1 ZINC001212549272 1057360767 /nfs/dbraw/zinc/36/07/67/1057360767.db2.gz DWYPLHBFXIEZBS-UHFFFAOYSA-N -1 3 312.222 4.045 20 30 DIEDHM N#Cc1cc2[nH]ccc2c(-c2cc([O-])cc(OC(F)(F)F)c2)c1 ZINC001242989954 1057538703 /nfs/dbraw/zinc/53/87/03/1057538703.db2.gz PWWZUSXVWSDPGT-UHFFFAOYSA-N -1 3 318.254 4.311 20 30 DIEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc2ncccc2c1 ZINC000730589778 1057718001 /nfs/dbraw/zinc/71/80/01/1057718001.db2.gz FAAZQBBLAMLWSK-IWQAVIMZSA-N -1 3 319.335 4.463 20 30 DIEDHM Cc1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc(C)c1O ZINC000730589277 1057718008 /nfs/dbraw/zinc/71/80/08/1057718008.db2.gz AJKLLIIKUPGZTI-LFTLCWSBSA-N -1 3 312.340 4.237 20 30 DIEDHM N#Cc1ccc2c(c1)nccc2-c1ccc(C(F)(F)F)cc1[O-] ZINC001243608082 1057731719 /nfs/dbraw/zinc/73/17/19/1057731719.db2.gz FIVFFCZZPAVGJH-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM N#Cc1c[nH]c2cc(-c3ccc(C(F)(F)F)cc3[O-])ccc12 ZINC001243611616 1057732821 /nfs/dbraw/zinc/73/28/21/1057732821.db2.gz KOUQIHJBHGRLEX-UHFFFAOYSA-N -1 3 302.255 4.431 20 30 DIEDHM N#Cc1nccc2cc(-c3ccc(C(F)(F)F)cc3[O-])ccc12 ZINC001243611290 1057733354 /nfs/dbraw/zinc/73/33/54/1057733354.db2.gz IFIYCIRSQYZEEH-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM N#Cc1cnc2cc(-c3ccc(C(F)(F)F)cc3[O-])ccc2c1 ZINC001243611953 1057733886 /nfs/dbraw/zinc/73/38/86/1057733886.db2.gz SPFZNIZXYMFXIA-UHFFFAOYSA-N -1 3 314.266 4.498 20 30 DIEDHM N#Cc1c[nH]c2ccc(-c3ccc(OC(F)(F)F)cc3[O-])cc12 ZINC001244465197 1057966802 /nfs/dbraw/zinc/96/68/02/1057966802.db2.gz CGVGINHJGHFXGL-UHFFFAOYSA-N -1 3 318.254 4.311 20 30 DIEDHM N#Cc1c(F)ccc(-c2ccc(OC(F)(F)F)cc2[O-])c1F ZINC001244468225 1057967627 /nfs/dbraw/zinc/96/76/27/1057967627.db2.gz OJYAJTMIUSDCAL-UHFFFAOYSA-N -1 3 315.197 4.108 20 30 DIEDHM O=C(O[C@@H]1CC=C(c2ccccc2C=N[O-])CC1)c1ccccc1 ZINC001244804795 1058050582 /nfs/dbraw/zinc/05/05/82/1058050582.db2.gz JGKVOSUPQLXMLS-GOSISDBHSA-N -1 3 321.376 4.288 20 30 DIEDHM N#CC(=C([O-])c1csc(C2CCCCC2)c1)c1ccncn1 ZINC001518076046 1058312862 /nfs/dbraw/zinc/31/28/62/1058312862.db2.gz KIBUEGYNTWIQKO-AWEZNQCLSA-N -1 3 311.410 4.076 20 30 DIEDHM COc1cc(-c2ccccc2C=N[O-])ccc1OC(F)(F)F ZINC001245716633 1058389462 /nfs/dbraw/zinc/38/94/62/1058389462.db2.gz QGIBEYQLJUHLFP-UHFFFAOYSA-N -1 3 311.259 4.069 20 30 DIEDHM CSCC(C)(C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001559030636 1058938537 /nfs/dbraw/zinc/93/85/37/1058938537.db2.gz AUWMPJCICVHNKF-UHFFFAOYSA-N -1 3 322.257 4.100 20 30 DIEDHM O=C(N([O-])CCCCc1ccccc1)C12CCC(CC1)CC2 ZINC001559034610 1058942031 /nfs/dbraw/zinc/94/20/31/1058942031.db2.gz IBJSFYYUOFIAKB-UHFFFAOYSA-N -1 3 301.430 4.198 20 30 DIEDHM C[C@H](CC(=O)N([O-])Cc1cccc2ccccc21)c1ccncc1 ZINC001559036616 1058942747 /nfs/dbraw/zinc/94/27/47/1058942747.db2.gz QMHZPQBBMYSLEP-OAHLLOKOSA-N -1 3 320.392 4.146 20 30 DIEDHM CC1(C)C(C)(C)C1(C)C(=O)N([O-])CCCCc1ccccc1 ZINC001559033925 1058943164 /nfs/dbraw/zinc/94/31/64/1058943164.db2.gz FRTFXSKQLXQIBN-UHFFFAOYSA-N -1 3 303.446 4.299 20 30 DIEDHM CCCCCCN([O-])C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001559034933 1058944117 /nfs/dbraw/zinc/94/41/17/1058944117.db2.gz VNFURIISDAVUQY-UHFFFAOYSA-N -1 3 304.217 4.334 20 30 DIEDHM CC(C)(C)c1cc([O-])c(CN2CC[C@@](C)(C#N)C2)cc1Cl ZINC001248885351 1060041350 /nfs/dbraw/zinc/04/13/50/1060041350.db2.gz UAEVNOZGONIRLI-KRWDZBQOSA-N -1 3 306.837 4.079 20 30 DIEDHM N#Cc1cc(Cc2ccc(-c3ccccc3C#N)cc2)ccc1[O-] ZINC001250280585 1060751755 /nfs/dbraw/zinc/75/17/55/1060751755.db2.gz ZUZBWSKJPMNQCF-UHFFFAOYSA-N -1 3 310.356 4.393 20 30 DIEDHM C=CCc1cccc(-c2nc3ccccc3n2CCCOC)c1[O-] ZINC001250713170 1061036342 /nfs/dbraw/zinc/03/63/42/1061036342.db2.gz YAFHMZSYJMAJTA-UHFFFAOYSA-N -1 3 322.408 4.174 20 30 DIEDHM N#CCCc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC001455942543 1061245899 /nfs/dbraw/zinc/24/58/99/1061245899.db2.gz QJSMDVUJOBDVAN-UHFFFAOYSA-N -1 3 316.360 4.254 20 30 DIEDHM C[C@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C=CCC1 ZINC001457999455 1061535361 /nfs/dbraw/zinc/53/53/61/1061535361.db2.gz XNBLBWOCOAFEKN-AWEZNQCLSA-N -1 3 300.185 4.068 20 30 DIEDHM C[C@@H](C(=O)N([O-])CCCCc1ccccc1)c1cccs1 ZINC001457991363 1061536262 /nfs/dbraw/zinc/53/62/62/1061536262.db2.gz DXYBMNLJOYRQOQ-CQSZACIVSA-N -1 3 303.427 4.092 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC001458009767 1061537448 /nfs/dbraw/zinc/53/74/48/1061537448.db2.gz FNFQSHWJMYCSCA-OAHLLOKOSA-N -1 3 305.418 4.129 20 30 DIEDHM CCc1ccc([C@@H](C)C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001458004288 1061537922 /nfs/dbraw/zinc/53/79/22/1061537922.db2.gz RMPHDRAAPNAOMQ-CYBMUJFWSA-N -1 3 317.816 4.424 20 30 DIEDHM CCCCCCN([O-])C(=O)CCc1cccc(OC(F)F)c1 ZINC001458011185 1061539915 /nfs/dbraw/zinc/53/99/15/1061539915.db2.gz LZTUWPRACGEBTJ-UHFFFAOYSA-N -1 3 315.360 4.019 20 30 DIEDHM CCCCCCN([O-])C(=O)C[C@H](CC)c1ccc(OC)cc1 ZINC001458012449 1061540765 /nfs/dbraw/zinc/54/07/65/1061540765.db2.gz VSDQNJQVZJQQOI-HNNXBMFYSA-N -1 3 307.434 4.377 20 30 DIEDHM O=C([C@H]1C[C@@H]1c1ccccc1)N([O-])Cc1cccc2ccccc21 ZINC001458020153 1061543590 /nfs/dbraw/zinc/54/35/90/1061543590.db2.gz ZGGUJIVFDVZFQT-UXHICEINSA-N -1 3 317.388 4.361 20 30 DIEDHM C#CC[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC001466163161 1061889446 /nfs/dbraw/zinc/88/94/46/1061889446.db2.gz KTKMDBQLIUBRSS-INIZCTEOSA-N -1 3 321.401 4.101 20 30 DIEDHM N#CCCC[C@@H](NCc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001474544223 1062235459 /nfs/dbraw/zinc/23/54/59/1062235459.db2.gz DLBQGCSRGMLKCS-OAHLLOKOSA-N -1 3 316.351 4.195 20 30 DIEDHM C=CC[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001470434488 1062780492 /nfs/dbraw/zinc/78/04/92/1062780492.db2.gz DWZZIOUURBZCNC-OAHLLOKOSA-N -1 3 323.392 4.223 20 30 DIEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC001472621451 1063108832 /nfs/dbraw/zinc/10/88/32/1063108832.db2.gz VJEJNDKEEBLEJS-MJGOQNOKSA-N -1 3 301.430 4.079 20 30 DIEDHM CCC#C[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC001472922453 1063317082 /nfs/dbraw/zinc/31/70/82/1063317082.db2.gz WPZPVVFUVBAYIL-SNVBAGLBSA-N -1 3 307.419 4.315 20 30 DIEDHM CCCCCCC[C@H](CC(C)C)[NH2+]CCCCP(=O)([O-])[O-] ZINC001258713537 1063771305 /nfs/dbraw/zinc/77/13/05/1063771305.db2.gz ALMYPYFRPFMCNY-MRXNPFEDSA-N -1 3 321.442 4.309 20 30 DIEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000814769261 1064364135 /nfs/dbraw/zinc/36/41/35/1064364135.db2.gz LIDAXCUHKQEYPB-MRVPVSSYSA-N -1 3 308.155 4.382 20 30 DIEDHM C[C@H](CC(=O)N([O-])CCCCc1ccccc1)c1ccccc1 ZINC001306896157 1065198444 /nfs/dbraw/zinc/19/84/44/1065198444.db2.gz MEJGXCQPGKORBZ-QGZVFWFLSA-N -1 3 311.425 4.421 20 30 DIEDHM C[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001306895237 1065198958 /nfs/dbraw/zinc/19/89/58/1065198958.db2.gz WTBJZCHMAVXQJD-LBPRGKRZSA-N -1 3 321.779 4.391 20 30 DIEDHM O=C([C@@H](c1ccccc1)C1CC1)N([O-])Cc1ccccc1Cl ZINC001306895336 1065199365 /nfs/dbraw/zinc/19/93/65/1065199365.db2.gz YLHLRBPECSLOEA-KRWDZBQOSA-N -1 3 315.800 4.252 20 30 DIEDHM