smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000397799882 501028870 /nfs/dbraw/zinc/02/88/70/501028870.db2.gz FQSBPAZOLXBALA-JTQLQIEISA-N -1 1 278.739 2.811 20 30 CFEDMM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000334091202 523043384 /nfs/dbraw/zinc/04/33/84/523043384.db2.gz BDOLYJLMJNQLPB-FZMZJTMJSA-N -1 1 272.348 2.962 20 30 CFEDMM CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000334091185 523132907 /nfs/dbraw/zinc/13/29/07/523132907.db2.gz AAJBSPJXPAQWAZ-GWCFXTLKSA-N -1 1 258.321 2.572 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCC(F)(F)C2)cc1[O-] ZINC000336156645 526597238 /nfs/dbraw/zinc/59/72/38/526597238.db2.gz INCANGDJNNEMML-SNVBAGLBSA-N -1 1 294.301 2.819 20 30 CFEDMM CCCCCNC(=S)NN=C(C)c1ccc(F)cc1[O-] ZINC000727777688 574064622 /nfs/dbraw/zinc/06/46/22/574064622.db2.gz RQICYWHYHBWFTG-UHFFFAOYSA-N -1 1 297.399 2.910 20 30 CFEDMM CC(=NNc1ccncc1Cl)c1ccc(F)cc1[O-] ZINC000756837435 574131972 /nfs/dbraw/zinc/13/19/72/574131972.db2.gz AAYZWSTYPKHRFN-UHFFFAOYSA-N -1 1 279.702 2.838 20 30 CFEDMM N#Cc1cccc(NN=Cc2ccc([O-])c(F)c2)c1 ZINC000755625857 574172654 /nfs/dbraw/zinc/17/26/54/574172654.db2.gz UOWFSVDURZLXPS-UHFFFAOYSA-N -1 1 255.252 2.849 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(F)cc(F)c1 ZINC000755875697 574193970 /nfs/dbraw/zinc/19/39/70/574193970.db2.gz WPZLOWVXJCSQPA-UHFFFAOYSA-N -1 1 278.262 2.605 20 30 CFEDMM CC(C)(C)[C@H](C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000755377063 574248406 /nfs/dbraw/zinc/24/84/06/574248406.db2.gz SFUMIAMEIOUQEH-NSHDSACASA-N -1 1 284.281 2.972 20 30 CFEDMM Cc1cc(C)cc(NN=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822197715 599334511 /nfs/dbraw/zinc/33/45/11/599334511.db2.gz MIMCABPFUKLJGA-UHFFFAOYSA-N -1 1 282.307 2.523 20 30 CFEDMM Cc1cc(C)cc(NN=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822197715 599334512 /nfs/dbraw/zinc/33/45/12/599334512.db2.gz MIMCABPFUKLJGA-UHFFFAOYSA-N -1 1 282.307 2.523 20 30 CFEDMM CN(CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)C(=O)[O-] ZINC000830660999 601418818 /nfs/dbraw/zinc/41/88/18/601418818.db2.gz MJKDEIFWXQJHGI-UHFFFAOYSA-N -1 1 299.292 2.852 20 30 CFEDMM O=C([O-])c1cc(C=NNc2cccc(C(F)(F)F)n2)c[nH]1 ZINC000814853740 601797432 /nfs/dbraw/zinc/79/74/32/601797432.db2.gz VQQHOPSNFHVCGS-UHFFFAOYSA-N -1 1 298.224 2.573 20 30 CFEDMM CN(Cc1ccsc1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC000830811080 601806738 /nfs/dbraw/zinc/80/67/38/601806738.db2.gz LRZIZLCDTGFFMJ-UHFFFAOYSA-N -1 1 286.356 2.950 20 30 CFEDMM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(C#N)cc1 ZINC000825502097 603534722 /nfs/dbraw/zinc/53/47/22/603534722.db2.gz HDTPKCYXTCIJNK-NSHDSACASA-N -1 1 296.330 2.894 20 30 CFEDMM N#Cc1ccc(O)c(NC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000831136730 603949646 /nfs/dbraw/zinc/94/96/46/603949646.db2.gz IYAYYDXAUFJIID-UHFFFAOYSA-N -1 1 297.270 2.606 20 30 CFEDMM C=CCCCN(C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833374176 604608440 /nfs/dbraw/zinc/60/84/40/604608440.db2.gz TYJFQYPXYCFFRK-UHFFFAOYSA-N -1 1 258.321 2.654 20 30 CFEDMM C#CCN(Cc1c[nH]c(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000825614102 604681784 /nfs/dbraw/zinc/68/17/84/604681784.db2.gz FWRNTXZZMFVNQW-QGZVFWFLSA-N -1 1 294.354 2.836 20 30 CFEDMM C=CCN(Cc1cccs1)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833375948 605314698 /nfs/dbraw/zinc/31/46/98/605314698.db2.gz KABUXVWABRDXES-LBPRGKRZSA-N -1 1 293.388 2.884 20 30 CFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)C2CCC2)o1 ZINC000819783229 606165566 /nfs/dbraw/zinc/16/55/66/606165566.db2.gz TUBLYJRKJJLPPL-UHFFFAOYSA-N -1 1 289.343 2.566 20 30 CFEDMM Cc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822258868 606367900 /nfs/dbraw/zinc/36/79/00/606367900.db2.gz FVKSFSUJONMWRN-UHFFFAOYSA-N -1 1 284.348 2.683 20 30 CFEDMM Fc1ccccc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822795751 606369204 /nfs/dbraw/zinc/36/92/04/606369204.db2.gz GQLPOWHJVJLOTA-UHFFFAOYSA-N -1 1 288.311 2.513 20 30 CFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000822930032 606387855 /nfs/dbraw/zinc/38/78/55/606387855.db2.gz XRIXZPDTWOMYRY-SOFGYWHQSA-N -1 1 282.328 2.824 20 30 CFEDMM C=CCOc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1 ZINC000819759325 606431820 /nfs/dbraw/zinc/43/18/20/606431820.db2.gz UJVQVDMHPGXXOX-UHFFFAOYSA-N -1 1 295.302 2.619 20 30 CFEDMM C=C1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000900585569 620695469 /nfs/dbraw/zinc/69/54/69/620695469.db2.gz UJOAWABBHOROAN-UHFFFAOYSA-N -1 1 286.306 2.872 20 30 CFEDMM O=C(C=Cc1cccc(O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400764 608092770 /nfs/dbraw/zinc/09/27/70/608092770.db2.gz HTFWTBJDDCWPAU-PLNGDYQASA-N -1 1 298.327 2.530 20 30 CFEDMM O=C(C=Cc1cccc(O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400764 608092771 /nfs/dbraw/zinc/09/27/71/608092771.db2.gz HTFWTBJDDCWPAU-PLNGDYQASA-N -1 1 298.327 2.530 20 30 CFEDMM C#CCC(C)(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759895 617837983 /nfs/dbraw/zinc/83/79/83/617837983.db2.gz VAUDWTLOFPIAQI-UHFFFAOYSA-N -1 1 265.740 2.711 20 30 CFEDMM CC(C)(C)[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000900970180 620734777 /nfs/dbraw/zinc/73/47/77/620734777.db2.gz AHPXHMPFZDMGCF-LBPRGKRZSA-N -1 1 291.301 2.705 20 30 CFEDMM CC[C@H](Nc1cnn(C)c1C)c1cccc(C#N)c1[O-] ZINC000925965782 617685369 /nfs/dbraw/zinc/68/53/69/617685369.db2.gz GKZQOXJHPUYNCT-ZDUSSCGKSA-N -1 1 270.336 2.869 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)s2)c(=O)o1 ZINC000254966742 617699837 /nfs/dbraw/zinc/69/98/37/617699837.db2.gz YMPYRWZEGLTCQB-DTRQGZQOSA-N -1 1 296.731 2.630 20 30 CFEDMM C#C[C@@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000890654454 617740253 /nfs/dbraw/zinc/74/02/53/617740253.db2.gz CHLCCGVWWMJCIG-CYBMUJFWSA-N -1 1 280.327 2.568 20 30 CFEDMM C#C[C@H]1CCCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000890657860 617743717 /nfs/dbraw/zinc/74/37/17/617743717.db2.gz XPVDEJAIPLVTQZ-ZDUSSCGKSA-N -1 1 295.338 2.879 20 30 CFEDMM N#CC1(C(=O)NCc2cccc(Cl)c2[O-])CC2(CC2)C1 ZINC000890762892 617842276 /nfs/dbraw/zinc/84/22/76/617842276.db2.gz KSNFIOPZOBXEGT-UHFFFAOYSA-N -1 1 290.750 2.746 20 30 CFEDMM CN1CCc2cc(/C=C\C(=O)c3cc(O)ccc3[O-])ccc21 ZINC000255102911 617961662 /nfs/dbraw/zinc/96/16/62/617961662.db2.gz PJWGNDLAQDKNQE-UTCJRWHESA-N -1 1 295.338 2.986 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NN[C@@H]1CCOC(C)(C)C1 ZINC000901222541 620773423 /nfs/dbraw/zinc/77/34/23/620773423.db2.gz KOFCJRQAKYOTGW-LLVKDONJSA-N -1 1 280.343 2.721 20 30 CFEDMM N#Cc1csc(/C=C2\Oc3cc([O-])ccc3C2=O)c1 ZINC000176842210 618211153 /nfs/dbraw/zinc/21/11/53/618211153.db2.gz JVWASOFGXDEYNK-ACAGNQJTSA-N -1 1 269.281 2.942 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cccc2nccn21 ZINC000255644588 618250292 /nfs/dbraw/zinc/25/02/92/618250292.db2.gz ZIRSPBSSZIKWCB-RIYZIHGNSA-N -1 1 278.267 2.656 20 30 CFEDMM CC(C)OCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370033 620796595 /nfs/dbraw/zinc/79/65/95/620796595.db2.gz PCIMRPXHMRCSOW-UHFFFAOYSA-N -1 1 273.332 2.983 20 30 CFEDMM CCO[C@H](C(=O)N([O-])Cc1ccc(F)cc1)C(C)C ZINC000901372352 620797330 /nfs/dbraw/zinc/79/73/30/620797330.db2.gz CJJKFZFUYCDTSC-ZDUSSCGKSA-N -1 1 269.316 2.605 20 30 CFEDMM Cn1cc(C=NOc2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000814224565 618466947 /nfs/dbraw/zinc/46/69/47/618466947.db2.gz JWJBEMDBDNAKGP-UHFFFAOYSA-N -1 1 285.225 2.557 20 30 CFEDMM CC(C)ON=Cc1cccc([O-])c1Br ZINC000841641346 618637659 /nfs/dbraw/zinc/63/76/59/618637659.db2.gz ONBUHAVQKVFHOE-UHFFFAOYSA-N -1 1 258.115 2.914 20 30 CFEDMM C#C[C@@H](CCC)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000867761463 618832968 /nfs/dbraw/zinc/83/29/68/618832968.db2.gz NQSPBJXLLAIVOZ-NSHDSACASA-N -1 1 265.740 2.506 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NNc2ccccc2)c1 ZINC000726737814 619259242 /nfs/dbraw/zinc/25/92/42/619259242.db2.gz LNDUCRLMAFCGJW-UHFFFAOYSA-N -1 1 270.288 2.625 20 30 CFEDMM Cc1ccc(N(CCC#N)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000726940018 619476962 /nfs/dbraw/zinc/47/69/62/619476962.db2.gz CGGZIMJYOGQUNB-UHFFFAOYSA-N -1 1 298.302 2.792 20 30 CFEDMM C=C1CCC(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000895614699 619567890 /nfs/dbraw/zinc/56/78/90/619567890.db2.gz SAZGBKQJDHNFQW-UHFFFAOYSA-N -1 1 274.246 2.508 20 30 CFEDMM C=C1CC(C)(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C1 ZINC000896916930 619886642 /nfs/dbraw/zinc/88/66/42/619886642.db2.gz UMALUDZYTBHYKM-UHFFFAOYSA-N -1 1 260.253 2.581 20 30 CFEDMM C=CCCn1cc(CNCc2cccc(Cl)c2[O-])nn1 ZINC000898215844 620346654 /nfs/dbraw/zinc/34/66/54/620346654.db2.gz RVTDJKGFXFJLSC-UHFFFAOYSA-N -1 1 292.770 2.503 20 30 CFEDMM CCn1cc(/C=C2\Cc3cc([O-])ccc3C2=O)c(C)n1 ZINC000899367859 620555338 /nfs/dbraw/zinc/55/53/38/620555338.db2.gz BWGRMVAHKZQVHG-KPKJPENVSA-N -1 1 268.316 2.739 20 30 CFEDMM O=C(c1ncccn1)N([O-])Cc1cccc2ccccc21 ZINC000899895215 620609722 /nfs/dbraw/zinc/60/97/22/620609722.db2.gz KMESWWWTJLFZAF-UHFFFAOYSA-N -1 1 279.299 2.661 20 30 CFEDMM C#CCOc1cccc(Cl)c1CN(C)C[C@@H](C)C(=O)[O-] ZINC000901595696 620866076 /nfs/dbraw/zinc/86/60/76/620866076.db2.gz AFKMCXKDHJRNHK-LLVKDONJSA-N -1 1 295.766 2.505 20 30 CFEDMM C=CCC[C@@H](NCc1ccc(SC)o1)C(=O)[O-] ZINC000901690621 620895568 /nfs/dbraw/zinc/89/55/68/620895568.db2.gz QTYFCQBLKSFHMK-SNVBAGLBSA-N -1 1 255.339 2.511 20 30 CFEDMM CC1(C)CC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)O1 ZINC000904174156 621542286 /nfs/dbraw/zinc/54/22/86/621542286.db2.gz VCZRCNTYXUMODP-GFCCVEGCSA-N -1 1 267.300 2.501 20 30 CFEDMM CCCCCCN([O-])C(=O)C(=O)c1ccc(F)cc1 ZINC000904204141 621550097 /nfs/dbraw/zinc/55/00/97/621550097.db2.gz GLFWSUPDSQOYAG-UHFFFAOYSA-N -1 1 267.300 2.807 20 30 CFEDMM CCCCCCN(O)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000904205358 621551281 /nfs/dbraw/zinc/55/12/81/621551281.db2.gz JBXSFXXHNFJHNG-UHFFFAOYSA-N -1 1 294.351 2.762 20 30 CFEDMM CCC(CC)c1nnc([N-]C(=O)c2ccc[n+]([O-])c2)s1 ZINC000026562141 621613364 /nfs/dbraw/zinc/61/33/64/621613364.db2.gz CNSJRCSDXXEBLE-UHFFFAOYSA-N -1 1 292.364 2.711 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@]23C[C@H]2CCCC3)c1 ZINC000927436894 621795765 /nfs/dbraw/zinc/79/57/65/621795765.db2.gz IUWURMSJUPRJMX-CJNGLKHVSA-N -1 1 270.332 2.574 20 30 CFEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000908653830 622255307 /nfs/dbraw/zinc/25/53/07/622255307.db2.gz WQROYPITUZJQLK-ZDUSSCGKSA-N -1 1 291.322 2.671 20 30 CFEDMM CCC(C#N)(CC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909971972 622377826 /nfs/dbraw/zinc/37/78/26/622377826.db2.gz JEAXICPTJRIZDB-UHFFFAOYSA-N -1 1 268.263 2.939 20 30 CFEDMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(C)(C#N)CC1 ZINC000833546706 625569439 /nfs/dbraw/zinc/56/94/39/625569439.db2.gz LATRBHQQJWCELZ-SNVBAGLBSA-N -1 1 262.309 2.664 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-]Cc1cccc(C(F)(F)F)n1 ZINC000833613265 625571458 /nfs/dbraw/zinc/57/14/58/625571458.db2.gz WMAOTJCJXOYXAR-UHFFFAOYSA-N -1 1 294.223 2.928 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC=CC23CCCCC3)cc1[O-] ZINC000912474737 622724416 /nfs/dbraw/zinc/72/44/16/622724416.db2.gz QWPGVLCYHSLJHD-UHFFFAOYSA-N -1 1 282.343 2.979 20 30 CFEDMM C#CC[C@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000912986093 622813167 /nfs/dbraw/zinc/81/31/67/622813167.db2.gz RUJUJGLKYNSCPU-LBPRGKRZSA-N -1 1 295.338 2.736 20 30 CFEDMM N#CC1(C(=O)Nc2cc([O-])c(F)cc2F)CCSCC1 ZINC000822542542 623123424 /nfs/dbraw/zinc/12/34/24/623123424.db2.gz CVKCEJWPUYOSRK-UHFFFAOYSA-N -1 1 298.314 2.646 20 30 CFEDMM N#Cc1nc(NC(=O)/C(F)=C/C2CCCCC2)[n-]c1C#N ZINC000825431946 623693034 /nfs/dbraw/zinc/69/30/34/623693034.db2.gz FXVIKWZPNYTJQH-POHAHGRESA-N -1 1 287.298 2.525 20 30 CFEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)C(C)(F)F ZINC000825836967 623759860 /nfs/dbraw/zinc/75/98/60/623759860.db2.gz QPOGJQKGMYRBMN-UHFFFAOYSA-N -1 1 282.290 2.675 20 30 CFEDMM COc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000032016844 623861912 /nfs/dbraw/zinc/86/19/12/623861912.db2.gz BIQQOVRJGZSEIO-YWEYNIOJSA-N -1 1 298.294 2.995 20 30 CFEDMM Cc1noc(C)c1/C=C1\Oc2cc([O-])cc(C)c2C1=O ZINC000915988847 624204934 /nfs/dbraw/zinc/20/49/34/624204934.db2.gz KELIDDSVHHGQJP-MLPAPPSSSA-N -1 1 271.272 2.922 20 30 CFEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1cccs1 ZINC000916241953 624232303 /nfs/dbraw/zinc/23/23/03/624232303.db2.gz PXSVBUWNPOZJEA-UHFFFAOYSA-N -1 1 262.338 2.778 20 30 CFEDMM COC(=O)c1c[n-]c(SCC2CCC(C#N)CC2)n1 ZINC000917496182 624349320 /nfs/dbraw/zinc/34/93/20/624349320.db2.gz LIRUDNXTWSQOIP-UHFFFAOYSA-N -1 1 279.365 2.618 20 30 CFEDMM C#CCOc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC000920987841 624796338 /nfs/dbraw/zinc/79/63/38/624796338.db2.gz UCDKWWUMVSKJOQ-UHFFFAOYSA-N -1 1 294.310 2.843 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cccc(OC(C)C)c2)n1 ZINC000921255336 624827777 /nfs/dbraw/zinc/82/77/77/624827777.db2.gz ZAJZSIDFSHSRMA-UHFFFAOYSA-N -1 1 286.335 2.724 20 30 CFEDMM Cc1cc(Br)c([O-])c(C=NNC2CC2)c1 ZINC000758126264 626577694 /nfs/dbraw/zinc/57/76/94/626577694.db2.gz DHMBNVNMQFFJLF-UHFFFAOYSA-N -1 1 269.142 2.549 20 30 CFEDMM CON=Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000760196711 626719182 /nfs/dbraw/zinc/71/91/82/626719182.db2.gz OYCGRYUOUYIBCJ-UHFFFAOYSA-N -1 1 288.278 2.764 20 30 CFEDMM N#CC(=C([O-])C=CSCc1ccco1)c1ccncn1 ZINC000760340889 626737082 /nfs/dbraw/zinc/73/70/82/626737082.db2.gz OXMXYUJYTBMMPH-NTYUQYKDSA-N -1 1 285.328 2.693 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2c(O)cccc2Cl)nc1 ZINC000763371961 626983437 /nfs/dbraw/zinc/98/34/37/626983437.db2.gz NZGLVGCOLUKCDU-UHFFFAOYSA-N -1 1 291.694 2.585 20 30 CFEDMM CCC(=NN=C(C)c1cnccn1)c1ccc([O-])c(F)c1 ZINC000764697472 627085168 /nfs/dbraw/zinc/08/51/68/627085168.db2.gz FDLNQQRUSNFGML-UHFFFAOYSA-N -1 1 286.310 2.945 20 30 CFEDMM CC(N=Nc1cccnn1)c1ccc([O-])c(Cl)c1 ZINC000768778058 627371925 /nfs/dbraw/zinc/37/19/25/627371925.db2.gz VIGCMKIOPKDYLC-UHFFFAOYSA-N -1 1 262.700 2.672 20 30 CFEDMM C=CC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccncc1 ZINC000769857974 627481676 /nfs/dbraw/zinc/48/16/76/627481676.db2.gz BTJWKGNYLYTPPX-CQSZACIVSA-N -1 1 286.306 2.974 20 30 CFEDMM N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc([O-])c(F)c1 ZINC000773149475 627788770 /nfs/dbraw/zinc/78/87/70/627788770.db2.gz LLXKIZSZGSQCFH-XGICHPGQSA-N -1 1 280.258 2.896 20 30 CFEDMM CCCCCCCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000774275603 627910956 /nfs/dbraw/zinc/91/09/56/627910956.db2.gz WRIJOPZUIXUGMM-UHFFFAOYSA-N -1 1 295.383 2.842 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1c(Cl)cnn1C)O2 ZINC000780187611 628438140 /nfs/dbraw/zinc/43/81/40/628438140.db2.gz UASMUMIOZPJNDE-LFYBBSHMSA-N -1 1 290.706 2.704 20 30 CFEDMM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000780241566 628443047 /nfs/dbraw/zinc/44/30/47/628443047.db2.gz QWEJYQOZXHGIDV-LBPRGKRZSA-N -1 1 280.343 2.803 20 30 CFEDMM Cc1cc(Br)c([O-])c(C=NNC[C@H](C)C#N)c1 ZINC000781596374 628564001 /nfs/dbraw/zinc/56/40/01/628564001.db2.gz FCSWMCTUELRJBQ-SECBINFHSA-N -1 1 296.168 2.546 20 30 CFEDMM CCN(CC#N)Cc1cc(C)cc(Br)c1[O-] ZINC000781902724 628590277 /nfs/dbraw/zinc/59/02/77/628590277.db2.gz SSVDCISJYIKZQI-UHFFFAOYSA-N -1 1 283.169 2.809 20 30 CFEDMM Cc1nc(F)ccc1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000782323821 628628221 /nfs/dbraw/zinc/62/82/21/628628221.db2.gz SFKBUWAMLADCDR-MLPAPPSSSA-N -1 1 271.247 2.851 20 30 CFEDMM Cc1nc(F)ccc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000782348141 628631235 /nfs/dbraw/zinc/63/12/35/628631235.db2.gz PVZUZGHZXJLLPS-DJWKRKHSSA-N -1 1 273.263 2.836 20 30 CFEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(F)c1 ZINC000783510816 628714455 /nfs/dbraw/zinc/71/44/55/628714455.db2.gz FHDJYIFSYADBHT-UHFFFAOYSA-N -1 1 274.299 2.856 20 30 CFEDMM CC(=NNc1ccc(C(=O)[O-])cc1)c1cn2ccccc2n1 ZINC000788409241 629064509 /nfs/dbraw/zinc/06/45/09/629064509.db2.gz QRQZQFCSEHUUPW-UHFFFAOYSA-N -1 1 294.314 2.869 20 30 CFEDMM [O-]c1ccc(C=NNCCc2ccncc2)cc1Cl ZINC000789085651 629124707 /nfs/dbraw/zinc/12/47/07/629124707.db2.gz LCNBILLJZWGCPU-UHFFFAOYSA-N -1 1 275.739 2.607 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccsc2Cl)n1 ZINC000790136643 629213164 /nfs/dbraw/zinc/21/31/64/629213164.db2.gz PUEJNUCSPYEVRG-UHFFFAOYSA-N -1 1 268.729 2.652 20 30 CFEDMM CC[C@@H](C)NN=Cc1ccc([O-])c(Br)c1 ZINC000790188030 629217293 /nfs/dbraw/zinc/21/72/93/629217293.db2.gz DBSCLHOCYWYPFE-MRVPVSSYSA-N -1 1 271.158 2.877 20 30 CFEDMM Cc1cccnc1N=NC(C)c1cccc(C(=O)[O-])c1 ZINC000790192864 629218599 /nfs/dbraw/zinc/21/85/99/629218599.db2.gz IBOPKVGENUGKEW-UHFFFAOYSA-N -1 1 269.304 2.924 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccsc2Cl)c(=O)o1 ZINC000790207780 629220460 /nfs/dbraw/zinc/22/04/60/629220460.db2.gz DCDXNYXOHQQFJF-QUCGXOGASA-N -1 1 296.731 2.630 20 30 CFEDMM O=C(OCC#Cc1ccccc1)c1c([O-])cc(F)cc1F ZINC000791350927 629303633 /nfs/dbraw/zinc/30/36/33/629303633.db2.gz FAYUZXUAXPKVBK-UHFFFAOYSA-N -1 1 288.249 2.879 20 30 CFEDMM N#CC(=C([O-])C=CC1CC1)c1cnc2ccccc2n1 ZINC000792110026 629397916 /nfs/dbraw/zinc/39/79/16/629397916.db2.gz XERAYJLPBHXXSX-GUOLPTJISA-N -1 1 263.300 2.772 20 30 CFEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccnc(F)c1 ZINC000794720205 629679404 /nfs/dbraw/zinc/67/94/04/629679404.db2.gz RUXRABMWJBEMOQ-HNQUOIGGSA-N -1 1 261.227 2.962 20 30 CFEDMM Cc1ccc(C)c2c1NC(=O)C2=N[N-]c1ncccc1F ZINC000794984144 629716799 /nfs/dbraw/zinc/71/67/99/629716799.db2.gz IQNBZGSCWWNSRQ-UHFFFAOYSA-N -1 1 284.294 2.606 20 30 CFEDMM C=CCCCCCOC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796345333 629906739 /nfs/dbraw/zinc/90/67/39/629906739.db2.gz LEVOAGHCMMTGHN-UHFFFAOYSA-N -1 1 265.309 2.705 20 30 CFEDMM C#Cc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000798155242 630157305 /nfs/dbraw/zinc/15/73/05/630157305.db2.gz GBLWUNCHVXSJCW-UHFFFAOYSA-N -1 1 273.238 2.904 20 30 CFEDMM Cc1[nH]c(CN=Nc2cc(F)c(F)cc2F)cc1C(=O)[O-] ZINC000800813425 630407542 /nfs/dbraw/zinc/40/75/42/630407542.db2.gz YUBMIPJPPKESLU-UHFFFAOYSA-N -1 1 297.236 2.885 20 30 CFEDMM Cc1cccc(-n2cc([O-])c(C(=O)OCCCC#N)n2)c1C ZINC000801417061 630446131 /nfs/dbraw/zinc/44/61/31/630446131.db2.gz YTBOQTGRWCBJBD-UHFFFAOYSA-N -1 1 299.330 2.655 20 30 CFEDMM N#CC(=C([O-])C=Cc1ccc[nH]1)c1cnc2ccccc2n1 ZINC000802227526 630514404 /nfs/dbraw/zinc/51/44/04/630514404.db2.gz IDWAKESIAGSSNY-WSROAFLRSA-N -1 1 288.310 2.848 20 30 CFEDMM N#CC(=C([O-])C=Cc1ccc[nH]1)c1cnc2ccccc2n1 ZINC000802227524 630514622 /nfs/dbraw/zinc/51/46/22/630514622.db2.gz IDWAKESIAGSSNY-MEJMFZKBSA-N -1 1 288.310 2.848 20 30 CFEDMM COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)cc1 ZINC000806560345 630812030 /nfs/dbraw/zinc/81/20/30/630812030.db2.gz LFGLRWFCQZGPOO-WTKPLQERSA-N -1 1 298.294 2.995 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C3CC3)cc2)c(=O)o1 ZINC000840715630 631176523 /nfs/dbraw/zinc/17/65/23/631176523.db2.gz QNIXVSRPTJMURP-MDGVGCGJSA-N -1 1 296.322 2.792 20 30 CFEDMM CC(=NN[C@H]1CCSC1)c1ccc(Cl)cc1[O-] ZINC000841638174 631440208 /nfs/dbraw/zinc/44/02/08/631440208.db2.gz PRNDOTLUXBPLNV-JTQLQIEISA-N -1 1 270.785 2.865 20 30 CFEDMM CC(=NN[C@H]1CCOC1(C)C)c1ccc(Cl)cc1[O-] ZINC000841641828 631441372 /nfs/dbraw/zinc/44/13/72/631441372.db2.gz WYUBRUXBHYBYEN-ZDUSSCGKSA-N -1 1 282.771 2.927 20 30 CFEDMM COc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1F ZINC000811525396 631576428 /nfs/dbraw/zinc/57/64/28/631576428.db2.gz RLHYADGAHSNXLW-UHFFFAOYSA-N -1 1 286.262 2.664 20 30 CFEDMM [O-]c1ccc(C=NNC[C@@H]2CCSC2)cc1Cl ZINC000811661945 631599781 /nfs/dbraw/zinc/59/97/81/631599781.db2.gz XNRCSNKMCUGVQK-JTQLQIEISA-N -1 1 270.785 2.722 20 30 CFEDMM CC(=NNC12CC(C1)C2)c1cc(F)cc(F)c1[O-] ZINC000842546759 631662076 /nfs/dbraw/zinc/66/20/76/631662076.db2.gz WYKBRMZNZJTJRQ-UHFFFAOYSA-N -1 1 252.264 2.537 20 30 CFEDMM Cn1cc(/C=C\C(=O)c2cc(O)ccc2[O-])c(C(F)F)n1 ZINC000812243955 631678781 /nfs/dbraw/zinc/67/87/81/631678781.db2.gz WICOLOSSHJLQLB-RQOWECAXSA-N -1 1 294.257 2.665 20 30 CFEDMM [O-]c1c(Br)cc(O)cc1C=NOCC1CC1 ZINC000814241054 632042575 /nfs/dbraw/zinc/04/25/75/632042575.db2.gz CNNKARGUQIHBNP-UHFFFAOYSA-N -1 1 286.125 2.621 20 30 CFEDMM CCCC(=NNc1nc(C)cc(=O)[n-]1)c1ccccn1 ZINC000814681728 632107880 /nfs/dbraw/zinc/10/78/80/632107880.db2.gz ZTJCZKKOGBRFOI-UHFFFAOYSA-N -1 1 271.324 2.502 20 30 CFEDMM CC(=NNc1cccc(F)n1)c1cc(C(=O)[O-])cs1 ZINC000814928745 632169578 /nfs/dbraw/zinc/16/95/78/632169578.db2.gz GVBLHAXLFZUMBP-UHFFFAOYSA-N -1 1 279.296 2.817 20 30 CFEDMM C#CCOc1ccc(F)cc1NC(=O)c1ccccc1[O-] ZINC000156582579 650056080 /nfs/dbraw/zinc/05/60/80/650056080.db2.gz GLCRLHOKYXCUHF-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM C=C(C)CONC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000846535594 632725651 /nfs/dbraw/zinc/72/56/51/632725651.db2.gz GHJJSLFKMNVNCY-UHFFFAOYSA-N -1 1 275.226 2.649 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000846553811 632741108 /nfs/dbraw/zinc/74/11/08/632741108.db2.gz AZVBOYGUNADCEF-KWCYVHTRSA-N -1 1 277.389 2.756 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)cc1[O-] ZINC000846581680 632750194 /nfs/dbraw/zinc/75/01/94/632750194.db2.gz JDURAVSXSVYPFD-CQSZACIVSA-N -1 1 292.285 2.525 20 30 CFEDMM C=C(C)CO[N-]C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000848244073 633223146 /nfs/dbraw/zinc/22/31/46/633223146.db2.gz AVBQXKQDFRFFRA-CYBMUJFWSA-N -1 1 281.739 2.925 20 30 CFEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1cc2n(n1)CCC2 ZINC000849245501 633589358 /nfs/dbraw/zinc/58/93/58/633589358.db2.gz JOWKSSIOJZJOIL-WQLSENKSSA-N -1 1 280.327 2.747 20 30 CFEDMM CCCn1nccc1/C=C/C(=O)c1cc(OC)ccc1[O-] ZINC000853006732 634872189 /nfs/dbraw/zinc/87/21/89/634872189.db2.gz IVDGYGDMJYNVJN-GQCTYLIASA-N -1 1 286.331 2.903 20 30 CFEDMM C#C[C@@](C)(CC)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000854694417 635367802 /nfs/dbraw/zinc/36/78/02/635367802.db2.gz BDXHCQSNJPXQTB-HNNXBMFYSA-N -1 1 295.766 2.976 20 30 CFEDMM C#C[C@](C)(CC)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000854702623 635375383 /nfs/dbraw/zinc/37/53/83/635375383.db2.gz UNVUAUYXPIWBHS-CYBMUJFWSA-N -1 1 285.265 2.943 20 30 CFEDMM C=CCN(C(=O)c1c([O-])cccc1Cl)[C@H](C)COC ZINC000855371980 635522373 /nfs/dbraw/zinc/52/23/73/635522373.db2.gz NQVIHMFDLUOCTA-SNVBAGLBSA-N -1 1 283.755 2.709 20 30 CFEDMM C=CC[C@@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858624884 636312750 /nfs/dbraw/zinc/31/27/50/636312750.db2.gz MKXBDVNAEXPAMZ-SECBINFHSA-N -1 1 253.733 2.628 20 30 CFEDMM CC(=NNCC(C)(C)O)c1cc(Cl)c(Cl)cc1[O-] ZINC000863138469 637567905 /nfs/dbraw/zinc/56/79/05/637567905.db2.gz CLMUVBCSURSFHS-UHFFFAOYSA-N -1 1 291.178 2.784 20 30 CFEDMM CCCn1cc(/C=C2/CCc3cc([O-])ccc3C2=O)nn1 ZINC000865216277 638225207 /nfs/dbraw/zinc/22/52/07/638225207.db2.gz BHOPXTLCTRULQK-WQLSENKSSA-N -1 1 283.331 2.606 20 30 CFEDMM O=C(/C=C/c1ccnn1CC1CCC1)c1cc(O)ccc1[O-] ZINC000865220033 638227019 /nfs/dbraw/zinc/22/70/19/638227019.db2.gz BQRVQYPXTQUBDS-GQCTYLIASA-N -1 1 298.342 2.991 20 30 CFEDMM COCc1ccnc(N[C@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866384050 638810361 /nfs/dbraw/zinc/81/03/61/638810361.db2.gz FXTXUKQHJHXUFG-LLVKDONJSA-N -1 1 283.331 2.978 20 30 CFEDMM C#C[C@@](C)(CC)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000868629108 638963421 /nfs/dbraw/zinc/96/34/21/638963421.db2.gz DLEZXSYTOMBRHD-AWEZNQCLSA-N -1 1 265.740 2.506 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1coc2c1ccc(OC)c2C ZINC000869154196 639050828 /nfs/dbraw/zinc/05/08/28/639050828.db2.gz OGQUEPUEGXITTC-JTQLQIEISA-N -1 1 289.331 2.915 20 30 CFEDMM N#Cc1cccc(/C=C2\Oc3cc([O-])ccc3C2=O)c1 ZINC000208314335 639741402 /nfs/dbraw/zinc/74/14/02/639741402.db2.gz FGIYYSNDDXEBJH-CHHVJCJISA-N -1 1 263.252 2.880 20 30 CFEDMM CC[C@@H]1CCC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690250 639772652 /nfs/dbraw/zinc/77/26/52/639772652.db2.gz LEZQBCKTQAQHLZ-TZMCWYRMSA-N -1 1 258.321 2.795 20 30 CFEDMM CCCc1cc(=O)[n-]c(SCc2ccc(C#N)o2)n1 ZINC000871632368 641376224 /nfs/dbraw/zinc/37/62/24/641376224.db2.gz VHJAGBXPHNLCPS-UHFFFAOYSA-N -1 1 275.333 2.892 20 30 CFEDMM CCCNN=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872341499 641759580 /nfs/dbraw/zinc/75/95/80/641759580.db2.gz BXWJYLOWFJZWQQ-UHFFFAOYSA-N -1 1 284.385 2.824 20 30 CFEDMM N#CCC1(CNC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000872994665 641980502 /nfs/dbraw/zinc/98/05/02/641980502.db2.gz QJFIYWATKBANEI-UHFFFAOYSA-N -1 1 293.754 2.539 20 30 CFEDMM CC(C)(C#N)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000874929390 642555078 /nfs/dbraw/zinc/55/50/78/642555078.db2.gz BMNTXMNLJRQPJD-YRNVUSSQSA-N -1 1 272.329 2.812 20 30 CFEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)CC(F)F ZINC000881540019 645031341 /nfs/dbraw/zinc/03/13/41/645031341.db2.gz YLFMUDISCGTJHX-UHFFFAOYSA-N -1 1 282.290 2.675 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC[C@@H]2CCCC2(F)F)c1 ZINC000881582175 645056472 /nfs/dbraw/zinc/05/64/72/645056472.db2.gz CTHMKAYHTXCJND-LBPRGKRZSA-N -1 1 294.301 2.819 20 30 CFEDMM C[C@@H](NC1(c2ncccn2)CCC1)c1cccc(C#N)c1[O-] ZINC000883311076 645731626 /nfs/dbraw/zinc/73/16/26/645731626.db2.gz MYOMUWVIASNJPO-GFCCVEGCSA-N -1 1 294.358 2.784 20 30 CFEDMM C=C1CC(C)(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000886269848 646943195 /nfs/dbraw/zinc/94/31/95/646943195.db2.gz JEXFRTTYOWSXGX-UHFFFAOYSA-N -1 1 281.302 2.685 20 30 CFEDMM Cc1oc(NC(=O)c2cc([O-])cc(C#N)c2)nc1C1CC1 ZINC000887241314 647247728 /nfs/dbraw/zinc/24/77/28/647247728.db2.gz MMTYHWLXNNCARX-UHFFFAOYSA-N -1 1 283.287 2.690 20 30 CFEDMM C#C[C@@](C)(CC)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932056474 649529320 /nfs/dbraw/zinc/52/93/20/649529320.db2.gz FFNPUNDIQGLIJJ-INIZCTEOSA-N -1 1 298.346 2.501 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(C)cc1 ZINC000254491068 651091069 /nfs/dbraw/zinc/09/10/69/651091069.db2.gz DGVVOVUMDRXUIO-UHFFFAOYSA-N -1 1 256.309 2.635 20 30 CFEDMM N#Cc1cc(F)cnc1-c1c(F)ccc([O-])c1F ZINC001241290807 782281630 /nfs/dbraw/zinc/28/16/30/782281630.db2.gz FMEZJWCUFUDGNE-UHFFFAOYSA-N -1 1 250.179 2.743 20 30 CFEDMM C=C(C)C[C@@H](OCCCC[P@](=O)([O-])O)C(=C)C ZINC001225019659 775337133 /nfs/dbraw/zinc/33/71/33/775337133.db2.gz ZMYFHXCHQHHDTK-GFCCVEGCSA-N -1 1 262.286 2.872 20 30 CFEDMM CCc1nn(C)cc1/C=C\C(=O)c1cc(OC)ccc1[O-] ZINC000255156524 770329670 /nfs/dbraw/zinc/32/96/70/770329670.db2.gz BJWLSVSUOCBRFY-ALCCZGGFSA-N -1 1 286.331 2.593 20 30 CFEDMM CCCCCCC[C@H](C)OCC[P@](=O)([O-])O ZINC001224603828 775224418 /nfs/dbraw/zinc/22/44/18/775224418.db2.gz BXHPXSGSCMNPIA-NSHDSACASA-N -1 1 252.291 2.930 20 30 CFEDMM CC[C@@H](C#Cc1ccccc1)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663345 775547851 /nfs/dbraw/zinc/54/78/51/775547851.db2.gz DJDQQXAMHWBBSW-ZDUSSCGKSA-N -1 1 298.298 2.905 20 30 CFEDMM CC[C@@H](C#Cc1ccccc1)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225663345 775547857 /nfs/dbraw/zinc/54/78/57/775547857.db2.gz DJDQQXAMHWBBSW-ZDUSSCGKSA-N -1 1 298.298 2.905 20 30 CFEDMM C#C[C@H](CC(C)C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225674891 775552655 /nfs/dbraw/zinc/55/26/55/775552655.db2.gz NGAZMDUKPXHPLE-GFCCVEGCSA-N -1 1 262.305 2.727 20 30 CFEDMM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2cc(=O)[n-]c(=S)[nH]2)O1 ZINC001225766472 775586573 /nfs/dbraw/zinc/58/65/73/775586573.db2.gz UDEQJQZHFPFCOY-LKFCYVNXSA-N -1 1 296.392 2.752 20 30 CFEDMM CCC1=C(Oc2cc(C(C)=O)ccc2[O-])C(=O)[C@@H](C)O1 ZINC001225998851 775663339 /nfs/dbraw/zinc/66/33/39/775663339.db2.gz QGAMOPQTJBWVRV-SECBINFHSA-N -1 1 276.288 2.583 20 30 CFEDMM Cc1c([C@H](C)Oc2cccc(/C=N/[O-])c2)cnn1C ZINC001226110874 775701478 /nfs/dbraw/zinc/70/14/78/775701478.db2.gz XZBFSMVCOWBORZ-AXLKIAQESA-N -1 1 259.309 2.677 20 30 CFEDMM COC(=O)[C@@H](Oc1cccc(/C=N/[O-])c1)c1ccccc1 ZINC001226114099 775703912 /nfs/dbraw/zinc/70/39/12/775703912.db2.gz FPJODSMFLIYNGW-VUVCFOEZSA-N -1 1 285.299 2.788 20 30 CFEDMM C=CC(C=C)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226184667 775727349 /nfs/dbraw/zinc/72/73/49/775727349.db2.gz IYUNJTMQPXIYBW-UHFFFAOYSA-N -1 1 254.289 2.969 20 30 CFEDMM C=CC[C@@H](CCCC)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226240952 775748766 /nfs/dbraw/zinc/74/87/66/775748766.db2.gz PJGOXNRUPJCIEZ-NSHDSACASA-N -1 1 264.325 2.899 20 30 CFEDMM C#C[C@H](Oc1[n-]c(=O)nc(C)c1Cl)c1ccccc1 ZINC001227110575 776101035 /nfs/dbraw/zinc/10/10/35/776101035.db2.gz AWVWJQRDOAZUBL-NSHDSACASA-N -1 1 274.707 2.897 20 30 CFEDMM N#C[C@@H](Oc1[n-]c(=S)ncc1F)c1ccccc1F ZINC001227387440 776190638 /nfs/dbraw/zinc/19/06/38/776190638.db2.gz XLYZTCDONQDQLD-SNVBAGLBSA-N -1 1 279.271 2.687 20 30 CFEDMM Cc1ccc([C@H](C)Oc2ccc([O-])c(C#N)c2C#N)cn1 ZINC001227617268 776245969 /nfs/dbraw/zinc/24/59/69/776245969.db2.gz CCRSQIRNIAKEQJ-NSHDSACASA-N -1 1 279.299 2.979 20 30 CFEDMM N#Cc1c([O-])ccc(O[C@H]2COCc3ccccc32)c1C#N ZINC001227620181 776246981 /nfs/dbraw/zinc/24/69/81/776246981.db2.gz YEDIJSYKLGGYNZ-KRWDZBQOSA-N -1 1 292.294 2.786 20 30 CFEDMM C=C(C)[C@H]1CC=C(C)[C@H](Oc2[n-]c(=O)nc3c2COC3)C1 ZINC001227690792 776259078 /nfs/dbraw/zinc/25/90/78/776259078.db2.gz PGMFXWHVORQTOQ-SMDDNHRTSA-N -1 1 288.347 2.892 20 30 CFEDMM CC1(C)CC(=O)CC[C@@H]1Oc1cc([O-])ccc1C#N ZINC001228006600 776359767 /nfs/dbraw/zinc/35/97/67/776359767.db2.gz FOYJDMHWRSDSNQ-AWEZNQCLSA-N -1 1 259.305 2.790 20 30 CFEDMM COC(=O)CC1CCC(Oc2cc([O-])ccc2C#N)CC1 ZINC001228006421 776360142 /nfs/dbraw/zinc/36/01/42/776360142.db2.gz AVNFSTLOMFZQRW-UHFFFAOYSA-N -1 1 289.331 2.765 20 30 CFEDMM N#Cc1ccc([O-])cc1OC1Cc2ccccc2C1 ZINC001228005994 776360637 /nfs/dbraw/zinc/36/06/37/776360637.db2.gz VXCFHCZQGAAVHI-UHFFFAOYSA-N -1 1 251.285 2.810 20 30 CFEDMM CC/C=C\CCOC(=O)[C@H](C)Oc1cc([O-])ccc1C#N ZINC001228007904 776361014 /nfs/dbraw/zinc/36/10/14/776361014.db2.gz UTDCIOHZXXOLEM-RXNFCKPNSA-N -1 1 289.331 2.931 20 30 CFEDMM CCOC(=O)[C@@H]1CCC[C@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228008052 776362413 /nfs/dbraw/zinc/36/24/13/776362413.db2.gz VUZJTBLZFLBXHK-RISCZKNCSA-N -1 1 289.331 2.765 20 30 CFEDMM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2cnnc(=S)[n-]2)C1 ZINC001228643138 776550546 /nfs/dbraw/zinc/55/05/46/776550546.db2.gz XIMQKJVVEHWKMF-GHMZBOCLSA-N -1 1 263.366 2.840 20 30 CFEDMM N#CC1CC(Oc2[n-]c(=S)nc3ccccc32)C1 ZINC001228764964 776602161 /nfs/dbraw/zinc/60/21/61/776602161.db2.gz JZSAMSOIYXYVQK-UHFFFAOYSA-N -1 1 257.318 2.599 20 30 CFEDMM CCC#C[C@H](C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229214994 776754041 /nfs/dbraw/zinc/75/40/41/776754041.db2.gz JEIMUVLHGZDUFD-JTQLQIEISA-N -1 1 288.299 2.688 20 30 CFEDMM C/C(=N\[O-])c1ccccc1OCC[C@H]1COC(C)(C)O1 ZINC001229736409 776882638 /nfs/dbraw/zinc/88/26/38/776882638.db2.gz BJYPMGDMSQWDQA-JASJWYONSA-N -1 1 279.336 2.805 20 30 CFEDMM COC(=O)[C@@]1(C)C[C@@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229739458 776883992 /nfs/dbraw/zinc/88/39/92/776883992.db2.gz XDTMUMRRMULITL-HIUJVLENSA-N -1 1 277.320 2.605 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@H]1CCn2ccnc21 ZINC001229741571 776884933 /nfs/dbraw/zinc/88/49/33/776884933.db2.gz QEWRWNKTJWKEHH-RKPNYOAGSA-N -1 1 257.293 2.605 20 30 CFEDMM CCCCN(CCC#N)Cc1cc(C(=O)[O-])ccc1O ZINC001231564044 777260517 /nfs/dbraw/zinc/26/05/17/777260517.db2.gz MTSNZFBFIJJSDB-UHFFFAOYSA-N -1 1 276.336 2.606 20 30 CFEDMM O=C1C=C2CN(Cc3ccc(Cl)c([O-])c3)CC[C@H]2S1 ZINC001231730992 777317104 /nfs/dbraw/zinc/31/71/04/777317104.db2.gz IWSPICBJDDEXJK-CYBMUJFWSA-N -1 1 295.791 2.820 20 30 CFEDMM N#C[C@@H]1CN(Cc2ccc(Cl)c([O-])c2Cl)CCC1=O ZINC001232631611 777625323 /nfs/dbraw/zinc/62/53/23/777625323.db2.gz OHVUDXXAKVMFGC-SECBINFHSA-N -1 1 299.157 2.614 20 30 CFEDMM CCCN(CCC#N)Cc1ccc(F)c([O-])c1F ZINC001232935262 777725711 /nfs/dbraw/zinc/72/57/11/777725711.db2.gz PKPAWIPEXZDQKZ-UHFFFAOYSA-N -1 1 254.280 2.796 20 30 CFEDMM N#C[C@@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232972945 777747047 /nfs/dbraw/zinc/74/70/47/777747047.db2.gz HUTRISXIXKZCCU-SNVBAGLBSA-N -1 1 266.291 2.796 20 30 CFEDMM N#C[C@@H]1CCCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233034946 777771993 /nfs/dbraw/zinc/77/19/93/777771993.db2.gz TVFDHMJRWNCSKV-SNVBAGLBSA-N -1 1 265.744 2.566 20 30 CFEDMM N#CC1CC(Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)C1 ZINC001233497214 777969189 /nfs/dbraw/zinc/96/91/89/777969189.db2.gz GBEQEXDXJKXYLN-UHFFFAOYSA-N -1 1 292.682 2.805 20 30 CFEDMM C[C@@H](CS)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233507628 777973958 /nfs/dbraw/zinc/97/39/58/777973958.db2.gz ZHOLFLCGGQWUKT-YFKPBYRVSA-N -1 1 287.728 2.822 20 30 CFEDMM COc1cc(/C=N/[O-])ccc1O[C@H](C)C(F)(F)F ZINC001233801289 778079965 /nfs/dbraw/zinc/07/99/65/778079965.db2.gz YAQHEDIONSCOCX-LHGJSEJASA-N -1 1 263.215 2.833 20 30 CFEDMM C#C[C@H](CCCC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234043538 778150920 /nfs/dbraw/zinc/15/09/20/778150920.db2.gz DGEMIZXMTSAGJB-LLVKDONJSA-N -1 1 286.331 2.920 20 30 CFEDMM CC1=C(Oc2c(Cl)ccc([O-])c2F)C(=O)[C@H](C)O1 ZINC001234264301 778196324 /nfs/dbraw/zinc/19/63/24/778196324.db2.gz PXNHFLFIZXVPNM-YFKPBYRVSA-N -1 1 272.659 2.783 20 30 CFEDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C#N)c1ccccc1 ZINC001234473044 778233488 /nfs/dbraw/zinc/23/34/88/778233488.db2.gz ALWCBXKZBCFDNM-INIZCTEOSA-N -1 1 283.283 2.944 20 30 CFEDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)C#C[Si](C)(C)C ZINC001234477626 778235043 /nfs/dbraw/zinc/23/50/43/778235043.db2.gz UWCNTJRZOSQIOL-JTQLQIEISA-N -1 1 292.407 2.949 20 30 CFEDMM C#C[C@H](C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234747124 778294676 /nfs/dbraw/zinc/29/46/76/778294676.db2.gz IJCOJTZUHTZZGQ-VIFPVBQESA-N -1 1 296.278 2.758 20 30 CFEDMM CCC[C@@H](CC(=O)OCC)Oc1ccccc1C=N[O-] ZINC001234819414 778302122 /nfs/dbraw/zinc/30/21/22/778302122.db2.gz LIFZNZOLZAPXDU-ZDUSSCGKSA-N -1 1 279.336 2.995 20 30 CFEDMM C[C@@H]1c2cnccc2C[C@@H]1Oc1ccccc1C=N[O-] ZINC001234826521 778304350 /nfs/dbraw/zinc/30/43/50/778304350.db2.gz VTNKNXFXKOROPZ-BZNIZROVSA-N -1 1 268.316 2.997 20 30 CFEDMM N#Cc1cccc(O)c1Nc1ccc([O-])c(F)c1F ZINC001212013900 778326937 /nfs/dbraw/zinc/32/69/37/778326937.db2.gz PBCPNWFEJJCIPS-UHFFFAOYSA-N -1 1 262.215 2.991 20 30 CFEDMM CS(=O)(=O)c1ccc(-c2cccc(/C=N/[O-])c2)cc1F ZINC001236119805 778700867 /nfs/dbraw/zinc/70/08/67/778700867.db2.gz LOBOCSKMRCUEGP-CXUHLZMHSA-N -1 1 293.319 2.704 20 30 CFEDMM N#Cc1ccc(/C=C/c2ccc3c(c2)CC(=O)[N-]C3=O)cc1 ZINC001239309819 779507706 /nfs/dbraw/zinc/50/77/06/779507706.db2.gz LTVCJLPXKZKACW-DAFODLJHSA-N -1 1 288.306 2.541 20 30 CFEDMM N#Cc1cc2nc(-c3cc(F)ccc3[O-])ccc2[nH]1 ZINC001240695525 780366618 /nfs/dbraw/zinc/36/66/18/780366618.db2.gz LLXUDORWCJUYBV-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM N#Cc1ncc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242157128 781306980 /nfs/dbraw/zinc/30/69/80/781306980.db2.gz DQBVLKGPXXXUTK-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM C#CCCCS(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000710028170 781326289 /nfs/dbraw/zinc/32/62/89/781326289.db2.gz YUVIBQPPJVBWMY-UHFFFAOYSA-N -1 1 291.294 2.861 20 30 CFEDMM [O-]/N=C/c1cccc(-c2cnn(C(F)(F)F)c2)c1 ZINC001242465238 781520234 /nfs/dbraw/zinc/52/02/34/781520234.db2.gz DACGEPPJDYOLRX-FZSIALSZSA-N -1 1 255.199 2.835 20 30 CFEDMM CCOC(=O)c1ccc(-c2ccc([O-])c(C#N)c2)nc1 ZINC001242562331 781599541 /nfs/dbraw/zinc/59/95/41/781599541.db2.gz SPJNRFLQWWCCHR-UHFFFAOYSA-N -1 1 268.272 2.503 20 30 CFEDMM CCOC(=O)c1cnc(-c2ccc([O-])c(C#N)c2)c(C)c1 ZINC001242562199 781599929 /nfs/dbraw/zinc/59/99/29/781599929.db2.gz LDJSNCGMAFBJIY-UHFFFAOYSA-N -1 1 282.299 2.811 20 30 CFEDMM COC(=O)/C=C/c1cc(C)cnc1-c1ccc([O-])c(C#N)c1 ZINC001242563146 781601458 /nfs/dbraw/zinc/60/14/58/781601458.db2.gz BJDTVIRJARLXGV-GQCTYLIASA-N -1 1 294.310 2.821 20 30 CFEDMM CN(CC1CC1)c1cncc(-c2ccc([O-])c(C#N)c2)n1 ZINC001242562826 781601595 /nfs/dbraw/zinc/60/15/95/781601595.db2.gz JMLLFBKZBDNLPP-UHFFFAOYSA-N -1 1 280.331 2.567 20 30 CFEDMM N#Cc1c[nH]c2nccc(-c3ccc([O-])c(C#N)c3)c12 ZINC001242564902 781603498 /nfs/dbraw/zinc/60/34/98/781603498.db2.gz AHORBJZJEMLPFJ-UHFFFAOYSA-N -1 1 260.256 2.679 20 30 CFEDMM N#Cc1cc(-c2nc(F)c(F)cc2F)ccc1[O-] ZINC001242564600 781603977 /nfs/dbraw/zinc/60/39/77/781603977.db2.gz IRFWZTJQKTZCGY-UHFFFAOYSA-N -1 1 250.179 2.743 20 30 CFEDMM COC(=O)C(C)(C)c1ccnc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565832 781604816 /nfs/dbraw/zinc/60/48/16/781604816.db2.gz UKATUVFVWYNFMQ-UHFFFAOYSA-N -1 1 296.326 2.776 20 30 CFEDMM CCc1nc(OC)ccc1-c1ccc([O-])c(C#N)c1 ZINC001242565801 781604891 /nfs/dbraw/zinc/60/48/91/781604891.db2.gz CWLXWGNCRUSXOK-UHFFFAOYSA-N -1 1 254.289 2.897 20 30 CFEDMM COC(=O)c1cc(OC)cc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565813 781605238 /nfs/dbraw/zinc/60/52/38/781605238.db2.gz SYOFGCMAKVRADA-UHFFFAOYSA-N -1 1 283.283 2.726 20 30 CFEDMM CN1Cc2cccc(-c3ccc([O-])c(C#N)c3)c2NC1=O ZINC001242566135 781605242 /nfs/dbraw/zinc/60/52/42/781605242.db2.gz KERNNTLPPATOAI-UHFFFAOYSA-N -1 1 279.299 2.908 20 30 CFEDMM N#Cc1cc(-c2cccc3c2CNC(=O)N3)ccc1[O-] ZINC001242566666 781606909 /nfs/dbraw/zinc/60/69/09/781606909.db2.gz KADCECYKWPLLSJ-UHFFFAOYSA-N -1 1 265.272 2.566 20 30 CFEDMM O=c1[nH]cc(-c2ccc(C=N[O-])c(F)c2)cc1F ZINC001242618242 781648423 /nfs/dbraw/zinc/64/84/23/781648423.db2.gz MTZYBEAHZNJWGI-OMCISZLKSA-N -1 1 250.204 2.541 20 30 CFEDMM COC(=O)c1nc2cc(C3=CC(=O)C[C@H](C)C3)ccc2[n-]1 ZINC001242740549 781733667 /nfs/dbraw/zinc/73/36/67/781733667.db2.gz CVEKSNUJOMVYBJ-SECBINFHSA-N -1 1 284.315 2.732 20 30 CFEDMM COC(=O)c1nc2ccc(C3=CC(=O)C[C@H](C)C3)cc2[n-]1 ZINC001242740549 781733675 /nfs/dbraw/zinc/73/36/75/781733675.db2.gz CVEKSNUJOMVYBJ-SECBINFHSA-N -1 1 284.315 2.732 20 30 CFEDMM N#Cc1cnnc(-c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC001242782792 781758399 /nfs/dbraw/zinc/75/83/99/781758399.db2.gz ZZCGNDXIULPGJB-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)C1CCCCC1 ZINC000595376363 349612157 /nfs/dbraw/zinc/61/21/57/349612157.db2.gz JVOJMHQFOXYUMF-NSHDSACASA-N -1 1 296.392 2.646 20 30 CFEDMM N#Cc1[n-]c(=NCC2(C(F)(F)F)CC2)sc1Cl ZINC000596229225 349834277 /nfs/dbraw/zinc/83/42/77/349834277.db2.gz HBBVPMOKOFHCHY-UHFFFAOYSA-N -1 1 281.690 2.844 20 30 CFEDMM CC(C)SCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596232172 349834729 /nfs/dbraw/zinc/83/47/29/349834729.db2.gz QJOXEBSTMVRMJE-UHFFFAOYSA-N -1 1 261.803 2.644 20 30 CFEDMM N#Cc1[n-]c(=N[C@@H]2CC[C@@H]3C[C@@H]3C2)sc1Cl ZINC000596290269 349853984 /nfs/dbraw/zinc/85/39/84/349853984.db2.gz AHWKTGBAAXYEDF-BWZBUEFSSA-N -1 1 253.758 2.691 20 30 CFEDMM CC#CC[C@@H](CC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231263534 781923954 /nfs/dbraw/zinc/92/39/54/781923954.db2.gz KRBVDTOJNKXAGQ-SNVBAGLBSA-N -1 1 264.281 2.575 20 30 CFEDMM C=C(Cl)CNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000273931402 192367815 /nfs/dbraw/zinc/36/78/15/192367815.db2.gz IEKKHCAPUQLKJS-UHFFFAOYSA-N -1 1 290.146 2.927 20 30 CFEDMM Cc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1 ZINC000041574334 346353331 /nfs/dbraw/zinc/35/33/31/346353331.db2.gz LGNCPPGSIUSRJB-LLVKDONJSA-N -1 1 271.345 2.953 20 30 CFEDMM C=CC1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000668569617 539586836 /nfs/dbraw/zinc/58/68/36/539586836.db2.gz DFJJJVFQFZMTKK-UHFFFAOYSA-N -1 1 282.343 2.979 20 30 CFEDMM N#CC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000397565502 348561729 /nfs/dbraw/zinc/56/17/29/348561729.db2.gz ATGLNTZEWVISOF-SNVBAGLBSA-N -1 1 278.739 2.811 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2cccnc2)c1 ZINC000589168352 348814913 /nfs/dbraw/zinc/81/49/13/348814913.db2.gz RKMNLUWDBPXBBR-INIZCTEOSA-N -1 1 293.326 2.636 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H]2c2ccccc2)c1 ZINC000589169701 348814919 /nfs/dbraw/zinc/81/49/19/348814919.db2.gz DRZWLIOGEMLFMF-MRXNPFEDSA-N -1 1 278.311 2.851 20 30 CFEDMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000589168935 348814994 /nfs/dbraw/zinc/81/49/94/348814994.db2.gz LEXGRHUCSUOOQS-MEBBXXQBSA-N -1 1 296.326 2.910 20 30 CFEDMM CC1(C)CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589174929 348816503 /nfs/dbraw/zinc/81/65/03/348816503.db2.gz CYRHLDKSHKUOIY-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCc2coc3ccccc23)c1 ZINC000589181244 348816786 /nfs/dbraw/zinc/81/67/86/348816786.db2.gz KMEHFGZCWYTNNY-UHFFFAOYSA-N -1 1 292.294 2.940 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CSc3ccccc32)c1 ZINC000589181881 348817005 /nfs/dbraw/zinc/81/70/05/348817005.db2.gz KCMBLQUJJAKIIA-CQSZACIVSA-N -1 1 296.351 2.841 20 30 CFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(C#N)c1 ZINC000589188737 348817704 /nfs/dbraw/zinc/81/77/04/348817704.db2.gz JHTBWVIGLLTXBU-NSHDSACASA-N -1 1 291.310 2.627 20 30 CFEDMM CC[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589189067 348818036 /nfs/dbraw/zinc/81/80/36/348818036.db2.gz AVIRNFTUOHBKCL-FZMZJTMJSA-N -1 1 258.321 2.572 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CC3CCC2CC3)c1 ZINC000589190260 348818208 /nfs/dbraw/zinc/81/82/08/348818208.db2.gz KUFXVWBVVNATDU-MBRGGSNBSA-N -1 1 270.332 2.572 20 30 CFEDMM CC(C)CCN(C(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000589189627 348818223 /nfs/dbraw/zinc/81/82/23/348818223.db2.gz OIEGLCFAZAIMMD-UHFFFAOYSA-N -1 1 272.348 2.915 20 30 CFEDMM C[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589188690 348818330 /nfs/dbraw/zinc/81/83/30/348818330.db2.gz HHHUBRGSSULXMX-MNOVXSKESA-N -1 1 258.321 2.524 20 30 CFEDMM C[C@@H](C1CC1)n1cc(NC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000589208168 348819507 /nfs/dbraw/zinc/81/95/07/348819507.db2.gz ZETLXPRCTSLJDK-JTQLQIEISA-N -1 1 296.330 2.684 20 30 CFEDMM CC1(C)CN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H]1C1CC1 ZINC000589651777 348849253 /nfs/dbraw/zinc/84/92/53/348849253.db2.gz ZHWOUNPEQSKUTG-CQSZACIVSA-N -1 1 270.332 2.524 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(F)cc(F)c2F)c1 ZINC000590469497 348902066 /nfs/dbraw/zinc/90/20/66/348902066.db2.gz GQSZCTIILHGZBB-UHFFFAOYSA-N -1 1 292.216 2.933 20 30 CFEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)C1CCC1 ZINC000590774239 348947309 /nfs/dbraw/zinc/94/73/09/348947309.db2.gz DTAHXAAXBKMCTA-UHFFFAOYSA-N -1 1 272.348 2.820 20 30 CFEDMM C[C@@H](C#N)CN(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000597438101 350097538 /nfs/dbraw/zinc/09/75/38/350097538.db2.gz PBGMQMWDQQMMIF-NSHDSACASA-N -1 1 295.342 2.705 20 30 CFEDMM N#CC[C@@H]1CC[C@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC000597715387 350127418 /nfs/dbraw/zinc/12/74/18/350127418.db2.gz JXQFIDRLSQKSGX-AAEUAGOBSA-N -1 1 295.342 2.753 20 30 CFEDMM CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)[C@H](C)C#N ZINC000598361526 350249088 /nfs/dbraw/zinc/24/90/88/350249088.db2.gz KEFYUPUTCUSETI-MRVPVSSYSA-N -1 1 286.253 2.785 20 30 CFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H](C)C1(F)F ZINC000600186445 350534472 /nfs/dbraw/zinc/53/44/72/350534472.db2.gz ZOUHWABVKIPIAH-AOOOYVTPSA-N -1 1 294.301 2.627 20 30 CFEDMM C[C@@H]1CCc2[n-]n(-c3ccc(C#N)c(Cl)c3)c(=O)c21 ZINC000601950043 350816988 /nfs/dbraw/zinc/81/69/88/350816988.db2.gz STYQMADGDXTOKZ-AMIZOPFISA-N -1 1 273.723 2.960 20 30 CFEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000112589741 186507606 /nfs/dbraw/zinc/50/76/06/186507606.db2.gz YRORWRSXZCDJNS-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000613510030 351972495 /nfs/dbraw/zinc/97/24/95/351972495.db2.gz APQMLIXFJMAVJO-MEBBXXQBSA-N -1 1 276.311 2.734 20 30 CFEDMM COc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614293333 352076183 /nfs/dbraw/zinc/07/61/83/352076183.db2.gz JTSBUIRARDKEMD-UHFFFAOYSA-N -1 1 268.272 2.525 20 30 CFEDMM C[C@@H]1CCC[C@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614299090 352077176 /nfs/dbraw/zinc/07/71/76/352077176.db2.gz BMAPNTZBUYBNJR-NEPJUHHUSA-N -1 1 272.348 2.915 20 30 CFEDMM COc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1F ZINC000614296428 352077211 /nfs/dbraw/zinc/07/72/11/352077211.db2.gz AERFPCJLYAQDMP-UHFFFAOYSA-N -1 1 286.262 2.664 20 30 CFEDMM CC(C)(C)CN(CCC#N)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614366568 352085641 /nfs/dbraw/zinc/08/56/41/352085641.db2.gz HCJKQAGRQBWDCT-UHFFFAOYSA-N -1 1 285.347 2.666 20 30 CFEDMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614715208 352114330 /nfs/dbraw/zinc/11/43/30/352114330.db2.gz YLRGKCUDVOPLTQ-ABAIWWIYSA-N -1 1 272.348 2.915 20 30 CFEDMM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000615491013 352198862 /nfs/dbraw/zinc/19/88/62/352198862.db2.gz GEJPJJJUDUVWCR-RISCZKNCSA-N -1 1 272.348 2.962 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC(Cc3ccccc3)C2)cc1[O-] ZINC000615431916 352192395 /nfs/dbraw/zinc/19/23/95/352192395.db2.gz BIKQOQJNOMPYFK-UHFFFAOYSA-N -1 1 292.338 2.579 20 30 CFEDMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000616171679 352295855 /nfs/dbraw/zinc/29/58/55/352295855.db2.gz XAAFJSDMYNLXLU-UTUOFQBUSA-N -1 1 272.348 2.770 20 30 CFEDMM C[C@H]1CC2(CCC2)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000617803110 352647933 /nfs/dbraw/zinc/64/79/33/352647933.db2.gz LNNPXCZQUIMIFZ-NSHDSACASA-N -1 1 270.332 2.669 20 30 CFEDMM CC(C)Cc1ncc(NC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000619423185 353020120 /nfs/dbraw/zinc/02/01/20/353020120.db2.gz ATXJYCVZYMBVNK-UHFFFAOYSA-N -1 1 296.330 2.505 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC(C3CCCC3)C2)c1 ZINC000619451528 353025854 /nfs/dbraw/zinc/02/58/54/353025854.db2.gz GHPGZOBLURNLCR-UHFFFAOYSA-N -1 1 270.332 2.526 20 30 CFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000619461158 353026948 /nfs/dbraw/zinc/02/69/48/353026948.db2.gz JVHCFUNRXCSEBO-UHFFFAOYSA-N -1 1 272.329 2.553 20 30 CFEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461184 353026959 /nfs/dbraw/zinc/02/69/59/353026959.db2.gz QLVKVGXGOQKWTG-UHFFFAOYSA-N -1 1 286.356 2.862 20 30 CFEDMM C=CCCS(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000621322798 353322930 /nfs/dbraw/zinc/32/29/30/353322930.db2.gz IUCYTTNEEWOGFE-LLVKDONJSA-N -1 1 281.368 2.696 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000294181713 198941872 /nfs/dbraw/zinc/94/18/72/198941872.db2.gz WWXFUCIYMUWMRO-ZETCQYMHSA-N -1 1 257.202 2.655 20 30 CFEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000442953130 241024022 /nfs/dbraw/zinc/02/40/22/241024022.db2.gz WRLOOMUAOWLVPB-NSHDSACASA-N -1 1 298.317 2.936 20 30 CFEDMM Cc1cc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)ccc1F ZINC000444421686 241139308 /nfs/dbraw/zinc/13/93/08/241139308.db2.gz DDKMSHYIZWMMBM-UHFFFAOYSA-N -1 1 298.317 2.984 20 30 CFEDMM COc1ccc(C(=O)Nc2ccc(CC#N)cc2)c([O-])c1 ZINC000028434936 372365761 /nfs/dbraw/zinc/36/57/61/372365761.db2.gz XZIBIXCZURGORV-UHFFFAOYSA-N -1 1 282.299 2.719 20 30 CFEDMM CN(C)c1cc(C#N)cc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000571305988 383683099 /nfs/dbraw/zinc/68/30/99/383683099.db2.gz BSULYHTUFBISTN-UHFFFAOYSA-N -1 1 299.305 2.721 20 30 CFEDMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000336420581 220243654 /nfs/dbraw/zinc/24/36/54/220243654.db2.gz PCRYXFQDATZLME-UHFFFAOYSA-N -1 1 296.348 2.868 20 30 CFEDMM C#CCN(CC)C(=O)c1cc2ccccc2cc1[O-] ZINC000108950892 375820132 /nfs/dbraw/zinc/82/01/32/375820132.db2.gz VUDDKZIYVZQHMV-UHFFFAOYSA-N -1 1 253.301 2.641 20 30 CFEDMM CCCN(CC#N)C(=O)c1cc2ccccc2cc1[O-] ZINC000117625408 376251998 /nfs/dbraw/zinc/25/19/98/376251998.db2.gz HCUYTIVEJCABMB-UHFFFAOYSA-N -1 1 268.316 2.921 20 30 CFEDMM N#Cc1ccsc1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000119488965 376423564 /nfs/dbraw/zinc/42/35/64/376423564.db2.gz QPIFQXWTNPGLLD-UHFFFAOYSA-N -1 1 296.311 2.922 20 30 CFEDMM C=CCCOCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000129628633 377453218 /nfs/dbraw/zinc/45/32/18/377453218.db2.gz MMBJHZAPXHKLIL-UHFFFAOYSA-N -1 1 285.343 2.868 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000334438193 379301316 /nfs/dbraw/zinc/30/13/16/379301316.db2.gz JJMAFNFSSGWLOQ-UHFFFAOYSA-N -1 1 262.652 2.763 20 30 CFEDMM CCn1cc(/C=C2/CCc3cc([O-])ccc3C2=O)cn1 ZINC000171806297 379406120 /nfs/dbraw/zinc/40/61/20/379406120.db2.gz QITAEASOQFIPJZ-QPEQYQDCSA-N -1 1 268.316 2.821 20 30 CFEDMM N#CC1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCCC1 ZINC000180393889 380650965 /nfs/dbraw/zinc/65/09/65/380650965.db2.gz PTHUAZQCUJLFRV-UHFFFAOYSA-N -1 1 298.264 2.977 20 30 CFEDMM N#CC(=C([O-])c1csc(Cl)c1)c1ccncn1 ZINC000342701470 381488334 /nfs/dbraw/zinc/48/83/34/381488334.db2.gz NDXGTNAAMLUBOH-MRVPVSSYSA-N -1 1 263.709 2.682 20 30 CFEDMM C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000351091627 382026445 /nfs/dbraw/zinc/02/64/45/382026445.db2.gz FYXDGZBHAPOSAD-UHLUBPPHSA-N -1 1 275.695 2.897 20 30 CFEDMM CCc1cc(=O)[n-]c(SCCC(C)(C)C#N)n1 ZINC000344172142 382178244 /nfs/dbraw/zinc/17/82/44/382178244.db2.gz OOERGTPRNMNFHS-UHFFFAOYSA-N -1 1 251.355 2.777 20 30 CFEDMM COc1cc(Cl)cc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000345990612 382326457 /nfs/dbraw/zinc/32/64/57/382326457.db2.gz JRHQEIMSNSQPPC-LBPRGKRZSA-N -1 1 287.706 2.629 20 30 CFEDMM Cc1nc(SCC(=O)c2cccc(C#N)c2)[n-]c(=O)c1C ZINC000346713159 382487704 /nfs/dbraw/zinc/48/77/04/382487704.db2.gz FKSVQRWMUJSQNS-UHFFFAOYSA-N -1 1 299.355 2.646 20 30 CFEDMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000189460440 382612075 /nfs/dbraw/zinc/61/20/75/382612075.db2.gz MRRPBIBEQOSGAF-RISCZKNCSA-N -1 1 272.348 2.962 20 30 CFEDMM Cc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000190067995 382652353 /nfs/dbraw/zinc/65/23/53/382652353.db2.gz WDTTVSUUHVGPRA-UHFFFAOYSA-N -1 1 266.300 2.502 20 30 CFEDMM COC(=O)c1c[n-]c(S[C@H](C)c2cccc(C#N)c2)n1 ZINC000193541121 382720822 /nfs/dbraw/zinc/72/08/22/382720822.db2.gz KBSFWASLZNXPLJ-SECBINFHSA-N -1 1 287.344 2.921 20 30 CFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C#N)cc1 ZINC000442629700 382938688 /nfs/dbraw/zinc/93/86/88/382938688.db2.gz RQYCUPXHXBUFAE-NSHDSACASA-N -1 1 291.310 2.627 20 30 CFEDMM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC(C)(C)C1 ZINC000443137742 382965355 /nfs/dbraw/zinc/96/53/55/382965355.db2.gz TYDVPGMKMZFWBL-LLVKDONJSA-N -1 1 272.348 2.772 20 30 CFEDMM N#Cc1ccnc([N-]S(=O)(=O)CCC2CCCCC2)c1 ZINC000521971256 383317076 /nfs/dbraw/zinc/31/70/76/383317076.db2.gz LHYXPZAJFMTKSU-UHFFFAOYSA-N -1 1 293.392 2.665 20 30 CFEDMM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000568502460 383408609 /nfs/dbraw/zinc/40/86/09/383408609.db2.gz QWYUNDWPASFTCH-YOEHRIQHSA-N -1 1 297.354 2.866 20 30 CFEDMM CC1(C)C[C@]1(C#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436649840 383863319 /nfs/dbraw/zinc/86/33/19/383863319.db2.gz UNDWIIORDUQOEU-QGZVFWFLSA-N -1 1 280.327 2.967 20 30 CFEDMM C=C(C)[C@H]([N-]C(=O)C(F)F)c1ccc(F)c(F)c1 ZINC000280130455 384896005 /nfs/dbraw/zinc/89/60/05/384896005.db2.gz GMIUYSYOVYGRJW-JTQLQIEISA-N -1 1 261.218 2.963 20 30 CFEDMM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000286431787 385619760 /nfs/dbraw/zinc/61/97/60/385619760.db2.gz HGFRGWRSYUHXIU-UHFFFAOYSA-N -1 1 284.381 2.644 20 30 CFEDMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000190987037 393586052 /nfs/dbraw/zinc/58/60/52/393586052.db2.gz OLUUHJZIOBCPKX-NEPJUHHUSA-N -1 1 272.348 2.820 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000416936479 393945835 /nfs/dbraw/zinc/94/58/35/393945835.db2.gz BTGSAWOTUGIBKK-GFCCVEGCSA-N -1 1 277.349 2.520 20 30 CFEDMM C#C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC000491348369 394048721 /nfs/dbraw/zinc/04/87/21/394048721.db2.gz CPEMOZZCEINXRW-HNNXBMFYSA-N -1 1 287.265 2.775 20 30 CFEDMM CCn1nc(C)c(/C=C/C(=O)c2cc(O)ccc2[O-])c1C ZINC000156646359 394336596 /nfs/dbraw/zinc/33/65/96/394336596.db2.gz GSJJZODCSMLCTO-SOFGYWHQSA-N -1 1 286.331 2.827 20 30 CFEDMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000526943457 394384562 /nfs/dbraw/zinc/38/45/62/394384562.db2.gz PZMRAFBDCPECLW-QMTHXVAHSA-N -1 1 296.326 2.910 20 30 CFEDMM C=CCN(C(=O)c1csc(=NC2CC2)[n-]1)c1ccccc1 ZINC000647742017 395423912 /nfs/dbraw/zinc/42/39/12/395423912.db2.gz WTCNGECTHFVDDX-UHFFFAOYSA-N -1 1 299.399 2.972 20 30 CFEDMM C=CCNC(=O)c1cccnc1-c1cc(F)ccc1[O-] ZINC001240696086 782010659 /nfs/dbraw/zinc/01/06/59/782010659.db2.gz ZPNBPCAYGOZYAN-UHFFFAOYSA-N -1 1 272.279 2.509 20 30 CFEDMM CCC1CCC(C[N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000344310528 162005301 /nfs/dbraw/zinc/00/53/01/162005301.db2.gz OFKYBEXLYOQKCZ-UHFFFAOYSA-N -1 1 296.392 2.646 20 30 CFEDMM C[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344749386 162115311 /nfs/dbraw/zinc/11/53/11/162115311.db2.gz BYOUNNHQSMOJDQ-NSHDSACASA-N -1 1 296.392 2.788 20 30 CFEDMM C#CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000284430055 196053873 /nfs/dbraw/zinc/05/38/73/196053873.db2.gz VVSXRJGPEANMNI-UHFFFAOYSA-N -1 1 289.759 2.561 20 30 CFEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)C#N)c1 ZINC000334929678 225367219 /nfs/dbraw/zinc/36/72/19/225367219.db2.gz LFOOBXAKZJAUSQ-SSDOTTSWSA-N -1 1 283.125 2.561 20 30 CFEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)C#N)c1 ZINC000334929681 225367915 /nfs/dbraw/zinc/36/79/15/225367915.db2.gz LFOOBXAKZJAUSQ-ZETCQYMHSA-N -1 1 283.125 2.561 20 30 CFEDMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1 ZINC000088485311 260232636 /nfs/dbraw/zinc/23/26/36/260232636.db2.gz ZWVVDHXCLBAZIW-RISCZKNCSA-N -1 1 296.392 2.908 20 30 CFEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2c([O-])cccc2F)C1 ZINC000186580730 262100864 /nfs/dbraw/zinc/10/08/64/262100864.db2.gz HDMCLQJTGOOKEI-BMIGLBTASA-N -1 1 276.311 2.734 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000194809228 262243018 /nfs/dbraw/zinc/24/30/18/262243018.db2.gz BDHUUACYJFEPGH-UHFFFAOYSA-N -1 1 274.361 2.933 20 30 CFEDMM N#C[C@@H]1CC[C@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000295436272 263177413 /nfs/dbraw/zinc/17/74/13/263177413.db2.gz VEKWAEIBELMJMZ-SCZZXKLOSA-N -1 1 261.350 2.844 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1ccccc1OC(C)C ZINC000120057972 263280185 /nfs/dbraw/zinc/28/01/85/263280185.db2.gz VEABDXQVRJRKGE-UHFFFAOYSA-N -1 1 269.366 2.792 20 30 CFEDMM COc1cc(C(=O)NC[C@@H]2CCC[C@H]2O)cc(Cl)c1[O-] ZINC000331260198 264183861 /nfs/dbraw/zinc/18/38/61/264183861.db2.gz AKVKVLMZDQFMKE-GZMMTYOYSA-N -1 1 299.754 2.520 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1sc(CCC)nc1C ZINC000362723380 267038334 /nfs/dbraw/zinc/03/83/34/267038334.db2.gz KIBBUBVNFLKNLP-UHFFFAOYSA-N -1 1 274.411 2.722 20 30 CFEDMM CC1(C)CCC[C@@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000360848069 275818683 /nfs/dbraw/zinc/81/86/83/275818683.db2.gz GSFKFRLJUNMIAA-CYBMUJFWSA-N -1 1 272.348 2.820 20 30 CFEDMM Cc1cc(C(=O)[O-])ccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001243202058 782061803 /nfs/dbraw/zinc/06/18/03/782061803.db2.gz IKVILRQLWJGOQQ-UHFFFAOYSA-N -1 1 278.271 2.503 20 30 CFEDMM N#CCCCOc1cccnc1NC(=O)c1ccccc1[O-] ZINC000110309283 328044897 /nfs/dbraw/zinc/04/48/97/328044897.db2.gz DSOYFXYOZMBHPO-UHFFFAOYSA-N -1 1 297.314 2.722 20 30 CFEDMM Cc1cc(C#N)cnc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000573868010 322672048 /nfs/dbraw/zinc/67/20/48/322672048.db2.gz OPMUELSXHMXGPN-UHFFFAOYSA-N -1 1 296.261 2.823 20 30 CFEDMM N#Cc1ccsc1[N-]C(=O)c1ncc(F)cc1F ZINC000192058749 324057193 /nfs/dbraw/zinc/05/71/93/324057193.db2.gz OJSGQWQGUUIGAN-UHFFFAOYSA-N -1 1 265.244 2.545 20 30 CFEDMM Cn1cc([C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)cn1 ZINC000331214488 328478261 /nfs/dbraw/zinc/47/82/61/328478261.db2.gz USTIZTOMAREFCN-ZDUSSCGKSA-N -1 1 288.351 2.613 20 30 CFEDMM N#Cc1ccc(C(=O)NC2(C3CCC3)CCC2)cc1[O-] ZINC000582890186 325242724 /nfs/dbraw/zinc/24/27/24/325242724.db2.gz NCDDJENVCNUJAI-UHFFFAOYSA-N -1 1 270.332 2.716 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1cccnc1C(F)(F)F ZINC000291847355 328535252 /nfs/dbraw/zinc/53/52/52/328535252.db2.gz IGDCDUOKYSYKSL-UHFFFAOYSA-N -1 1 294.298 2.808 20 30 CFEDMM Cc1ncccc1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000171419001 329075693 /nfs/dbraw/zinc/07/56/93/329075693.db2.gz OSALUGCUDYHPGQ-AUWJEWJLSA-N -1 1 253.257 2.712 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000088475756 330376654 /nfs/dbraw/zinc/37/66/54/330376654.db2.gz APZWORTYZFLIPI-MRVPVSSYSA-N -1 1 276.720 2.523 20 30 CFEDMM N#CC1(CSc2nc(C(F)(F)F)cc(=O)[n-]2)CCC1 ZINC000450833974 331001798 /nfs/dbraw/zinc/00/17/98/331001798.db2.gz BZQOGEIJVZYEOY-UHFFFAOYSA-N -1 1 289.282 2.987 20 30 CFEDMM C=CCC1(NC(=O)C(=O)c2ccc([O-])cc2)CCCCC1 ZINC000456372179 331191565 /nfs/dbraw/zinc/19/15/65/331191565.db2.gz TZNQTXJEXJIQPY-UHFFFAOYSA-N -1 1 287.359 2.970 20 30 CFEDMM C=C(C)[C@@H](CC(=O)Nc1ccc([O-])c(F)c1F)OCC ZINC000456786930 331204041 /nfs/dbraw/zinc/20/40/41/331204041.db2.gz PEVYBYUUOAXONU-LLVKDONJSA-N -1 1 285.290 2.980 20 30 CFEDMM CC(C)(CC#N)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000315834931 333383989 /nfs/dbraw/zinc/38/39/89/333383989.db2.gz VGZZMNLMYNLMQZ-UHFFFAOYSA-N -1 1 266.728 2.715 20 30 CFEDMM C=CCCC(=O)CSc1nc(CCC)cc(=O)[n-]1 ZINC000134645024 334098779 /nfs/dbraw/zinc/09/87/79/334098779.db2.gz ARCMDYDHQYSSEL-UHFFFAOYSA-N -1 1 266.366 2.762 20 30 CFEDMM Cc1cnc(SCCCC(C)(C)C#N)[n-]c1=O ZINC000383781696 336117653 /nfs/dbraw/zinc/11/76/53/336117653.db2.gz PEZFMMFVFZWAIT-UHFFFAOYSA-N -1 1 251.355 2.913 20 30 CFEDMM CC[C@H]1CCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000334091192 523152615 /nfs/dbraw/zinc/15/26/15/523152615.db2.gz AAJBSPJXPAQWAZ-GXFFZTMASA-N -1 1 258.321 2.572 20 30 CFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1C#N ZINC000235899683 525424573 /nfs/dbraw/zinc/42/45/73/525424573.db2.gz WQUCJVUJEDRSMD-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCc3c(F)cccc3C2)cc1[O-] ZINC000336171032 526593465 /nfs/dbraw/zinc/59/34/65/526593465.db2.gz XFTZFVKYVTXPNA-UHFFFAOYSA-N -1 1 296.301 2.601 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])s1 ZINC000336383185 526601918 /nfs/dbraw/zinc/60/19/18/526601918.db2.gz WYVYNSNKWTXOLB-UHFFFAOYSA-N -1 1 262.265 2.717 20 30 CFEDMM CNC(=S)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000730954563 574105081 /nfs/dbraw/zinc/10/50/81/574105081.db2.gz CTCFDLTYHHJQNB-VIFPVBQESA-N -1 1 265.407 2.855 20 30 CFEDMM Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)c(C)n1C ZINC000754901005 574127583 /nfs/dbraw/zinc/12/75/83/574127583.db2.gz NFEBECMCJWCCRS-UHFFFAOYSA-N -1 1 271.320 2.786 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCOc3ccc(C)c(C)c32)n1 ZINC000737413790 574138852 /nfs/dbraw/zinc/13/88/52/574138852.db2.gz KXNXILUHFRZZAK-UHFFFAOYSA-N -1 1 298.346 2.706 20 30 CFEDMM CN(Cc1ccc(C#N)cc1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737451589 574142081 /nfs/dbraw/zinc/14/20/81/574142081.db2.gz QOHTWPSQTZDPNG-MRXNPFEDSA-N -1 1 298.317 2.955 20 30 CFEDMM CC(C)(C)C1N=NC(=S)N1N=Cc1cccc(F)c1[O-] ZINC000755518354 574167094 /nfs/dbraw/zinc/16/70/94/574167094.db2.gz JAXAGZYKVDEURS-UHFFFAOYSA-N -1 1 294.355 2.591 20 30 CFEDMM N#Cc1cccc(NN=Cc2cc(F)ccc2[O-])c1 ZINC000755625539 574172850 /nfs/dbraw/zinc/17/28/50/574172850.db2.gz TVKZDFCFAYATKZ-UHFFFAOYSA-N -1 1 255.252 2.849 20 30 CFEDMM COc1ccc(NN=Cc2cccc(F)c2[O-])cc1 ZINC000755802885 574188650 /nfs/dbraw/zinc/18/86/50/574188650.db2.gz XNDWWEBFYUOSSL-UHFFFAOYSA-N -1 1 260.268 2.986 20 30 CFEDMM Cc1ccnc(NN=Cc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000755901782 574195468 /nfs/dbraw/zinc/19/54/68/574195468.db2.gz HOSFWKVGQJFQQN-UHFFFAOYSA-N -1 1 299.330 2.690 20 30 CFEDMM Cc1nc(Cl)cc(N=NCc2cc(F)c([O-])c(F)c2)n1 ZINC000749859766 574312969 /nfs/dbraw/zinc/31/29/69/574312969.db2.gz UBEZTRYFTSPDLP-UHFFFAOYSA-N -1 1 298.680 2.868 20 30 CFEDMM CCc1nc(C)c(C(C)=NNc2nc(C)cc(=O)[n-]2)s1 ZINC000735224421 574316021 /nfs/dbraw/zinc/31/60/21/574316021.db2.gz RDPFUBFAOGVWID-UHFFFAOYSA-N -1 1 291.380 2.654 20 30 CFEDMM O=[N+]([O-])c1ccc([O-])cc1CN=Nc1ncccc1Cl ZINC000751130086 574369909 /nfs/dbraw/zinc/36/99/09/574369909.db2.gz BZPUPVGWWXWRLM-UHFFFAOYSA-N -1 1 292.682 2.795 20 30 CFEDMM Clc1ccc(NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822578720 599329667 /nfs/dbraw/zinc/32/96/67/599329667.db2.gz OOOPQNGEQXQZHF-UHFFFAOYSA-N -1 1 288.698 2.559 20 30 CFEDMM Clc1ccc(NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822578720 599329670 /nfs/dbraw/zinc/32/96/70/599329670.db2.gz OOOPQNGEQXQZHF-UHFFFAOYSA-N -1 1 288.698 2.559 20 30 CFEDMM CCCCCC[C@H](C)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821049228 599341853 /nfs/dbraw/zinc/34/18/53/599341853.db2.gz JDINAGPWUDIISV-NSHDSACASA-N -1 1 290.371 2.742 20 30 CFEDMM CCCCCC[C@H](C)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821049228 599341855 /nfs/dbraw/zinc/34/18/55/599341855.db2.gz JDINAGPWUDIISV-NSHDSACASA-N -1 1 290.371 2.742 20 30 CFEDMM C=CCN(C/C=C(\C)C(=O)[O-])Cc1cccc(C#N)c1 ZINC000825682211 601159537 /nfs/dbraw/zinc/15/95/37/601159537.db2.gz TZZVIDKQTOKNLK-NTUHNPAUSA-N -1 1 270.332 2.577 20 30 CFEDMM C=C(C)C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000901680135 620891676 /nfs/dbraw/zinc/89/16/76/620891676.db2.gz UGMIGKWIUFBUDY-RTXFEEFZSA-N -1 1 263.337 2.912 20 30 CFEDMM C[C@@H](NC(=O)[O-])c1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000825403216 604413772 /nfs/dbraw/zinc/41/37/72/604413772.db2.gz VKYXHUMQULLQMB-LLVKDONJSA-N -1 1 299.330 2.770 20 30 CFEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccccc1O ZINC000812443754 605099061 /nfs/dbraw/zinc/09/90/61/605099061.db2.gz XNNCOHXMWXTHJW-UHFFFAOYSA-N -1 1 270.288 2.927 20 30 CFEDMM CC(C)C[C@@H](C#N)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900508322 620684201 /nfs/dbraw/zinc/68/42/01/620684201.db2.gz AVKGROMJSUSRLH-LBPRGKRZSA-N -1 1 298.342 2.919 20 30 CFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(O)c1 ZINC000822922934 606389658 /nfs/dbraw/zinc/38/96/58/606389658.db2.gz LEEXDMDWLDTWSJ-XQRVVYSFSA-N -1 1 298.327 2.530 20 30 CFEDMM N#Cc1ccc2ncc(/C=C\C(=O)c3ccc([O-])cc3)n2c1 ZINC000255017537 617748660 /nfs/dbraw/zinc/74/86/60/617748660.db2.gz LKSHNCXUKQGQJA-DAXSKMNVSA-N -1 1 289.294 2.808 20 30 CFEDMM C=CC[C@@H]1CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000890557385 617651186 /nfs/dbraw/zinc/65/11/86/617651186.db2.gz ZGMVUINYYQPCFX-SNVBAGLBSA-N -1 1 296.164 2.945 20 30 CFEDMM C=C(C)C(C)(C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615812 617687021 /nfs/dbraw/zinc/68/70/21/617687021.db2.gz VAZDHSOIKZUSGD-UHFFFAOYSA-N -1 1 275.352 2.602 20 30 CFEDMM CCn1nccc1/C=C\C(=O)c1cc(OC)ccc1[O-] ZINC000254950141 617695291 /nfs/dbraw/zinc/69/52/91/617695291.db2.gz NQDMQCNCTYCDEF-XQRVVYSFSA-N -1 1 272.304 2.513 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762519 617842231 /nfs/dbraw/zinc/84/22/31/617842231.db2.gz FYRKQXZBFLYRDA-FZMZJTMJSA-N -1 1 295.766 2.643 20 30 CFEDMM CCn1cc(/C=C\C(=O)c2cc(OC)ccc2[O-])cn1 ZINC000255419100 617883775 /nfs/dbraw/zinc/88/37/75/617883775.db2.gz SWXLMVCDGUBLEL-XQRVVYSFSA-N -1 1 272.304 2.513 20 30 CFEDMM C#CCCCCC[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934269098 617981409 /nfs/dbraw/zinc/98/14/09/617981409.db2.gz CRZYKDWZZOXPBI-CYBMUJFWSA-N -1 1 289.379 2.521 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NN[C@@H]1CCCSC1 ZINC000901277396 620775251 /nfs/dbraw/zinc/77/52/51/620775251.db2.gz AQSOVWWJDAQWTQ-SNVBAGLBSA-N -1 1 268.357 2.659 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc(O)cc1 ZINC000187229038 618274538 /nfs/dbraw/zinc/27/45/38/618274538.db2.gz KHRNWQMHRGSKST-GHXNOFRVSA-N -1 1 252.269 2.920 20 30 CFEDMM CCOC1(C(=O)N([O-])Cc2ccc(F)cc2)CCCC1 ZINC000901372126 620797426 /nfs/dbraw/zinc/79/74/26/620797426.db2.gz RNDSIXUWLDTJRT-UHFFFAOYSA-N -1 1 281.327 2.893 20 30 CFEDMM CC[C@@H]1CC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)O1 ZINC000901372863 620797869 /nfs/dbraw/zinc/79/78/69/620797869.db2.gz OKFAWRIUVOUBSV-OLZOCXBDSA-N -1 1 267.300 2.501 20 30 CFEDMM CCCc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000901418055 620812888 /nfs/dbraw/zinc/81/28/88/620812888.db2.gz XZDRTVVNHUZMRM-IBSYWUHOSA-N -1 1 298.338 2.867 20 30 CFEDMM C#C[C@H](NC(=O)c1cc2ccccc2cc1[O-])C(C)C ZINC000312157087 618889160 /nfs/dbraw/zinc/88/91/60/618889160.db2.gz IOLAGWVVWCROAZ-HNNXBMFYSA-N -1 1 267.328 2.933 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NNc2ccccc2F)c1 ZINC000726737014 619259364 /nfs/dbraw/zinc/25/93/64/619259364.db2.gz DRUNRQDXHMUFBA-UHFFFAOYSA-N -1 1 288.278 2.764 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NN[C@H](C)C(C)(C)C)c1 ZINC000793114399 619509921 /nfs/dbraw/zinc/50/99/21/619509921.db2.gz LTCCYRSUBVAVEN-SNVBAGLBSA-N -1 1 278.352 2.537 20 30 CFEDMM C#C[C@@H](CCC)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895692467 619584602 /nfs/dbraw/zinc/58/46/02/619584602.db2.gz WKPATIYDWMLUAK-NSHDSACASA-N -1 1 280.755 2.647 20 30 CFEDMM CC[C@@H](CC#N)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897400175 620102011 /nfs/dbraw/zinc/10/20/11/620102011.db2.gz JXHYGRLJJMMLPA-NSHDSACASA-N -1 1 284.315 2.673 20 30 CFEDMM Cn1nc2c(c1/C=C\C(=O)c1ccc([O-])cc1)CCC2 ZINC000899332535 620546516 /nfs/dbraw/zinc/54/65/16/620546516.db2.gz IPJCBLLBSBLUON-KTKRTIGZSA-N -1 1 268.316 2.511 20 30 CFEDMM CCn1cc(/C=C/C(=O)c2c(C)cc(C)cc2[O-])nn1 ZINC000899371094 620555962 /nfs/dbraw/zinc/55/59/62/620555962.db2.gz NEYWFGFKRLZSCB-AATRIKPKSA-N -1 1 271.320 2.517 20 30 CFEDMM CCn1ncc(/C=C/C(=O)c2c(C)cc(C)cc2[O-])n1 ZINC000901505224 620838887 /nfs/dbraw/zinc/83/88/87/620838887.db2.gz ULSSBCSJVWSKKQ-AATRIKPKSA-N -1 1 271.320 2.517 20 30 CFEDMM C=C1CCN(Cc2cc(C(=O)[O-])ccc2OC)CC1 ZINC000903596278 621404385 /nfs/dbraw/zinc/40/43/85/621404385.db2.gz SXWWFGWHKIMEDW-UHFFFAOYSA-N -1 1 261.321 2.545 20 30 CFEDMM CCO[C@H](C(=O)N([O-])Cc1ccccc1Cl)C1CC1 ZINC000904192884 621546813 /nfs/dbraw/zinc/54/68/13/621546813.db2.gz ZHNPKBCQLORJJZ-ZDUSSCGKSA-N -1 1 283.755 2.873 20 30 CFEDMM CCCCN([O-])C(=O)C(=O)c1c[nH]c2cc(F)ccc21 ZINC000904215622 621551861 /nfs/dbraw/zinc/55/18/61/621551861.db2.gz GZUQCPIFJPCEGI-UHFFFAOYSA-N -1 1 278.283 2.508 20 30 CFEDMM CC1(C)C[C@]1(C#N)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000908299857 622215728 /nfs/dbraw/zinc/21/57/28/622215728.db2.gz QULBZVFPJJBBLA-QGZVFWFLSA-N -1 1 296.326 2.673 20 30 CFEDMM C=C1CC(C)(C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909988285 622382331 /nfs/dbraw/zinc/38/23/31/622382331.db2.gz DLEUHGBZZWUFFZ-UHFFFAOYSA-N -1 1 253.248 2.965 20 30 CFEDMM C=C(C)[C@H](CC(=O)Nc1cc(F)cc(F)c1[O-])OCC ZINC000910983406 622494411 /nfs/dbraw/zinc/49/44/11/622494411.db2.gz QJSILOXYNVCIDD-LBPRGKRZSA-N -1 1 285.290 2.980 20 30 CFEDMM C=CCCO[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984327 622495574 /nfs/dbraw/zinc/49/55/74/622495574.db2.gz NJLPHNHLHKFQNQ-MRVPVSSYSA-N -1 1 271.263 2.590 20 30 CFEDMM C=CCCO[N-]C(=O)Cc1sc(C2CCC2)nc1C ZINC000912629413 622752837 /nfs/dbraw/zinc/75/28/37/622752837.db2.gz QMMSHJGLGQJKMH-UHFFFAOYSA-N -1 1 280.393 2.885 20 30 CFEDMM CC(=O)Nc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1 ZINC000156661903 622955168 /nfs/dbraw/zinc/95/51/68/622955168.db2.gz BNAKVDGJHMOMCF-XBXARRHUSA-N -1 1 297.310 2.952 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cccnc1)O2 ZINC000045008202 622957068 /nfs/dbraw/zinc/95/70/68/622957068.db2.gz GQEJWALMKZTDDM-AWNIVKPZSA-N -1 1 253.257 2.712 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCC[C@@H]2C=CCC2)c1 ZINC000834326545 625609921 /nfs/dbraw/zinc/60/99/21/625609921.db2.gz HCBYSLAVNOOZBX-GFCCVEGCSA-N -1 1 270.332 2.740 20 30 CFEDMM N#CC1(C(=O)Nc2cc(F)cc(F)c2[O-])CCSCC1 ZINC000822978050 623213090 /nfs/dbraw/zinc/21/30/90/623213090.db2.gz YVKHIFAIJSWSMH-UHFFFAOYSA-N -1 1 298.314 2.646 20 30 CFEDMM O=C([O-])c1ccc(C=NNc2ccccc2[N+](=O)[O-])cc1 ZINC000916249480 624231914 /nfs/dbraw/zinc/23/19/14/624231914.db2.gz RIOAOOIGUYVDRF-UHFFFAOYSA-N -1 1 285.259 2.739 20 30 CFEDMM C#CCOc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000154875073 624516354 /nfs/dbraw/zinc/51/63/54/624516354.db2.gz FWRKHQZGBYWPKD-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM C#CC[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000829788764 624538171 /nfs/dbraw/zinc/53/81/71/624538171.db2.gz GJNONPJGMJYDMT-LLVKDONJSA-N -1 1 287.388 2.632 20 30 CFEDMM Cc1ccc(N(CCC#N)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000182248157 625276561 /nfs/dbraw/zinc/27/65/61/625276561.db2.gz WXCNUFIZZCYKNT-UHFFFAOYSA-N -1 1 296.326 2.967 20 30 CFEDMM C[C@@H](NN=Cc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000834995304 625946527 /nfs/dbraw/zinc/94/65/27/625946527.db2.gz AKQKNGHXCHLVPM-ZCFIWIBFSA-N -1 1 266.650 2.920 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cccc2c1OCO2 ZINC000187226707 626482913 /nfs/dbraw/zinc/48/29/13/626482913.db2.gz IFQNJHODVLVQAL-WUXMJOGZSA-N -1 1 280.279 2.943 20 30 CFEDMM N#CCOc1cccc(/C=C/C(=O)c2cc(O)ccc2[O-])c1 ZINC000757467024 626552885 /nfs/dbraw/zinc/55/28/85/626552885.db2.gz AZEBHUVOXNKUPH-GQCTYLIASA-N -1 1 295.294 2.896 20 30 CFEDMM CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765747989 627156047 /nfs/dbraw/zinc/15/60/47/627156047.db2.gz SUSHHBCBAQOSRX-GFCCVEGCSA-N -1 1 270.254 2.726 20 30 CFEDMM CC(=Nn1cnnc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000765991871 627169701 /nfs/dbraw/zinc/16/97/01/627169701.db2.gz DUIMDZNGDJJECU-UHFFFAOYSA-N -1 1 271.107 2.563 20 30 CFEDMM COc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000767925149 627295237 /nfs/dbraw/zinc/29/52/37/627295237.db2.gz WHBQQQYARQZBMR-UHFFFAOYSA-N -1 1 286.262 2.664 20 30 CFEDMM C#CCN(C(=O)c1ccc([O-])c(F)c1)C1CCCC1 ZINC000768251639 627329127 /nfs/dbraw/zinc/32/91/27/627329127.db2.gz JDEWSIFPYICCSS-UHFFFAOYSA-N -1 1 261.296 2.549 20 30 CFEDMM COc1cccc(C)c1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000768698877 627365588 /nfs/dbraw/zinc/36/55/88/627365588.db2.gz NERROJFRZJTAJL-UHFFFAOYSA-N -1 1 282.299 2.833 20 30 CFEDMM CC(N=Nc1ncccn1)c1ccc([O-])c(Cl)c1 ZINC000768774673 627371178 /nfs/dbraw/zinc/37/11/78/627371178.db2.gz ZDZLMQBDDVUEEH-UHFFFAOYSA-N -1 1 262.700 2.672 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cscc2Cl)n1 ZINC000771864133 627639034 /nfs/dbraw/zinc/63/90/34/627639034.db2.gz NSEDCTWAQIFERA-UHFFFAOYSA-N -1 1 268.729 2.652 20 30 CFEDMM CCCCCCCS(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000774013254 627878922 /nfs/dbraw/zinc/87/89/22/627878922.db2.gz OLQBSUNUFNVMPN-UHFFFAOYSA-N -1 1 287.429 2.846 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NCCSCc2ccccc2)n1 ZINC000774303509 627913776 /nfs/dbraw/zinc/91/37/76/627913776.db2.gz XCGRYIBOSPPDJW-UHFFFAOYSA-N -1 1 288.376 2.822 20 30 CFEDMM CCOCCON=Cc1ccc([O-])c(Br)c1 ZINC000774435700 627925630 /nfs/dbraw/zinc/92/56/30/627925630.db2.gz HXUDNAJTQLFLEF-UHFFFAOYSA-N -1 1 288.141 2.542 20 30 CFEDMM C[C@H](CO)NN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774587217 627939661 /nfs/dbraw/zinc/93/96/61/627939661.db2.gz LUJDAGHGIKGNRD-SECBINFHSA-N -1 1 278.739 2.503 20 30 CFEDMM CCCCC[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000776324678 628131878 /nfs/dbraw/zinc/13/18/78/628131878.db2.gz AMASZDQSZOBNJK-NSHDSACASA-N -1 1 260.337 2.962 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1c(Cl)cnn1C)O2 ZINC000780187613 628437953 /nfs/dbraw/zinc/43/79/53/628437953.db2.gz UASMUMIOZPJNDE-XGICHPGQSA-N -1 1 290.706 2.704 20 30 CFEDMM CC(N=Nc1ncncc1Cl)c1cc(F)cc(F)c1[O-] ZINC000780282411 628450328 /nfs/dbraw/zinc/45/03/28/628450328.db2.gz CNZMPWAUKXHHFF-UHFFFAOYSA-N -1 1 298.680 2.950 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1C=NNCCc1ccccn1 ZINC000789124196 629127992 /nfs/dbraw/zinc/12/79/92/629127992.db2.gz DLODKDJKPVIUNC-UHFFFAOYSA-N -1 1 293.729 2.746 20 30 CFEDMM Cc1cccnc1NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000790187467 629217594 /nfs/dbraw/zinc/21/75/94/629217594.db2.gz VXHKUFHEWCBLEH-LBPRGKRZSA-N -1 1 299.330 2.688 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccsc2Cl)c(=O)o1 ZINC000790207781 629220161 /nfs/dbraw/zinc/22/01/61/629220161.db2.gz DCDXNYXOHQQFJF-VUDBWIFFSA-N -1 1 296.731 2.630 20 30 CFEDMM C=CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)COC ZINC000852358320 634732419 /nfs/dbraw/zinc/73/24/19/634732419.db2.gz PYFOCNOBHNAWBI-NSHDSACASA-N -1 1 295.354 2.757 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cn(C)c3ccc(F)cc23)n1 ZINC000794845330 629693709 /nfs/dbraw/zinc/69/37/09/629693709.db2.gz NIXPZBVTLKLOQF-UHFFFAOYSA-N -1 1 299.309 2.567 20 30 CFEDMM O=C(/C=C/c1c(F)ccc(O)c1F)c1cc(O)ccc1[O-] ZINC000794941321 629707466 /nfs/dbraw/zinc/70/74/66/629707466.db2.gz NYJRRZYKYFFTEL-GORDUTHDSA-N -1 1 292.237 2.978 20 30 CFEDMM CC(N=Nc1cncnc1)c1ccc([O-])c(Cl)c1 ZINC000794979110 629714895 /nfs/dbraw/zinc/71/48/95/629714895.db2.gz WHKXPJLTNNJKIA-UHFFFAOYSA-N -1 1 262.700 2.672 20 30 CFEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000798038256 630143346 /nfs/dbraw/zinc/14/33/46/630143346.db2.gz DIGFSNOVEQKQPT-IINYFYTJSA-N -1 1 295.766 2.757 20 30 CFEDMM O=c1[n-]c(N=NCCCC2CC2)nc2ccccc21 ZINC000807977101 630929021 /nfs/dbraw/zinc/92/90/21/630929021.db2.gz DWGGKYMSZNHLDE-UHFFFAOYSA-N -1 1 256.309 2.923 20 30 CFEDMM CC(N=Nc1nc[nH]n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000807996649 630934850 /nfs/dbraw/zinc/93/48/50/630934850.db2.gz BZAXOINPJJJCJP-UHFFFAOYSA-N -1 1 286.122 2.653 20 30 CFEDMM Cc1cc(Br)c([O-])c(NC(=O)C#CC2CC2)c1 ZINC000837516981 631053356 /nfs/dbraw/zinc/05/33/56/631053356.db2.gz KRIBACQSJFMFSN-UHFFFAOYSA-N -1 1 294.148 2.815 20 30 CFEDMM CC(=NN[C@@H]1CCSC1)c1ccc(Cl)cc1[O-] ZINC000841638175 631440595 /nfs/dbraw/zinc/44/05/95/631440595.db2.gz PRNDOTLUXBPLNV-SNVBAGLBSA-N -1 1 270.785 2.865 20 30 CFEDMM CC(=NOC[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841638651 631440733 /nfs/dbraw/zinc/44/07/33/631440733.db2.gz UGKHTROUSCNKLG-SNVBAGLBSA-N -1 1 269.728 2.823 20 30 CFEDMM CSc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000811527704 631577322 /nfs/dbraw/zinc/57/73/22/631577322.db2.gz VADMVJBLYCOBMK-UHFFFAOYSA-N -1 1 285.328 2.633 20 30 CFEDMM [O-]c1c(Br)cccc1C=NNC12CC(C1)C2 ZINC000842545845 631661282 /nfs/dbraw/zinc/66/12/82/631661282.db2.gz ANFIWLFOJFFYRJ-UHFFFAOYSA-N -1 1 281.153 2.631 20 30 CFEDMM C=CCC(C)(C)COC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000814004510 631991725 /nfs/dbraw/zinc/99/17/25/631991725.db2.gz SYJZOQAKANCJRB-UHFFFAOYSA-N -1 1 265.309 2.560 20 30 CFEDMM COC(=O)c1ccc(C(=O)OCC#CC2CCCCC2)[n-]1 ZINC000814092913 632009294 /nfs/dbraw/zinc/00/92/94/632009294.db2.gz FVKWRCOKYYJUAV-UHFFFAOYSA-N -1 1 289.331 2.542 20 30 CFEDMM C#CC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000843681806 632025203 /nfs/dbraw/zinc/02/52/03/632025203.db2.gz PSQQEGFAKONIEJ-LLVKDONJSA-N -1 1 277.751 2.921 20 30 CFEDMM CCCC(=NNc1nc(C)cc(=O)[n-]1)c1cccnc1 ZINC000814682649 632108033 /nfs/dbraw/zinc/10/80/33/632108033.db2.gz MPZALTVNAOOZCY-UHFFFAOYSA-N -1 1 271.324 2.502 20 30 CFEDMM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1ccccn1 ZINC000814731912 632115067 /nfs/dbraw/zinc/11/50/67/632115067.db2.gz ORGJJTYPZOPINF-UHFFFAOYSA-N -1 1 269.304 2.843 20 30 CFEDMM CC(=NNc1cc(C)ccn1)c1cc(C(=O)[O-])cs1 ZINC000814867612 632142071 /nfs/dbraw/zinc/14/20/71/632142071.db2.gz LLFGDNJEVCGIPO-UHFFFAOYSA-N -1 1 275.333 2.986 20 30 CFEDMM CC(=N[N-]c1cc(C)cc[nH+]1)c1cc(C(=O)[O-])cs1 ZINC000814867612 632142075 /nfs/dbraw/zinc/14/20/75/632142075.db2.gz LLFGDNJEVCGIPO-UHFFFAOYSA-N -1 1 275.333 2.986 20 30 CFEDMM COc1cccc(N=NCc2cc(C(=O)[O-])c(C)cc2C)n1 ZINC000814900049 632155322 /nfs/dbraw/zinc/15/53/22/632155322.db2.gz BEJMYHGGPVGKIR-UHFFFAOYSA-N -1 1 299.330 2.851 20 30 CFEDMM [O-]c1cc(F)c(Cl)cc1C=NNCC(F)(F)F ZINC000814904430 632157450 /nfs/dbraw/zinc/15/74/50/632157450.db2.gz JALAPXAEVLCLKB-UHFFFAOYSA-N -1 1 270.613 2.671 20 30 CFEDMM O=C([O-])c1cc(C=NNc2c(F)cccc2Cl)c[nH]1 ZINC000814905543 632157908 /nfs/dbraw/zinc/15/79/08/632157908.db2.gz YKUJYMXJAXPINU-UHFFFAOYSA-N -1 1 281.674 2.951 20 30 CFEDMM [O-]c1cccc(C=NNC[C@H]2CCSC2)c1Cl ZINC000814935958 632173310 /nfs/dbraw/zinc/17/33/10/632173310.db2.gz UJAQFVUFDRRXCM-SECBINFHSA-N -1 1 270.785 2.722 20 30 CFEDMM N#Cc1ccc(CNCc2cccc([O-])c2Cl)nc1 ZINC000815137294 632214090 /nfs/dbraw/zinc/21/40/90/632214090.db2.gz POEDPDJEVZPASZ-UHFFFAOYSA-N -1 1 273.723 2.602 20 30 CFEDMM C=C(C)CONC(=O)N=c1nc(SCCC)[n-]s1 ZINC000844556674 632245428 /nfs/dbraw/zinc/24/54/28/632245428.db2.gz BKASZZIWKDVGIO-UHFFFAOYSA-N -1 1 288.398 2.669 20 30 CFEDMM CC1(CNN=C2CCCc3c(C#N)c(=O)[n-]cc32)CCCC1 ZINC000844598738 632260596 /nfs/dbraw/zinc/26/05/96/632260596.db2.gz SQYRJHLVHMSXAW-UHFFFAOYSA-N -1 1 298.390 2.869 20 30 CFEDMM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)o1 ZINC000815907734 632332564 /nfs/dbraw/zinc/33/25/64/632332564.db2.gz IYVPHNBNKBFEBO-LBPRGKRZSA-N -1 1 297.314 2.507 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1sccc1Br ZINC000846553441 632741081 /nfs/dbraw/zinc/74/10/81/632741081.db2.gz AURPRXLMEYFVSW-SSDOTTSWSA-N -1 1 290.182 2.675 20 30 CFEDMM C=C[C@@H](C)ONC(=O)c1ccc(OCCCC)cc1[O-] ZINC000846555340 632741584 /nfs/dbraw/zinc/74/15/84/632741584.db2.gz PZBPHRXLNVTUSG-LLVKDONJSA-N -1 1 279.336 2.807 20 30 CFEDMM C=C[C@H](C)ONC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000846555123 632741682 /nfs/dbraw/zinc/74/16/82/632741682.db2.gz OHKHSLRPXYGJFS-ZETCQYMHSA-N -1 1 275.226 2.647 20 30 CFEDMM CCn1nncc1/C=C/C(=O)c1c(C)cc(C)cc1[O-] ZINC000841487523 632933396 /nfs/dbraw/zinc/93/33/96/632933396.db2.gz WVCPLSXWFYVHIL-AATRIKPKSA-N -1 1 271.320 2.517 20 30 CFEDMM C=CC[C@@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000857309804 635963854 /nfs/dbraw/zinc/96/38/54/635963854.db2.gz SPALCYXWHOCTSC-SNVBAGLBSA-N -1 1 279.311 2.665 20 30 CFEDMM CC(C)CCN(CCC#N)c1cc(Cl)[n-]c(=O)n1 ZINC000858452864 636247920 /nfs/dbraw/zinc/24/79/20/636247920.db2.gz OQJVBXSJPFMPHK-UHFFFAOYSA-N -1 1 268.748 2.602 20 30 CFEDMM C#CC[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000862562499 637429457 /nfs/dbraw/zinc/42/94/57/637429457.db2.gz ZBURGQAPSLBWKG-JTQLQIEISA-N -1 1 263.724 2.531 20 30 CFEDMM Cc1scc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1C ZINC000865214311 638225381 /nfs/dbraw/zinc/22/53/81/638225381.db2.gz QTUMQANMDDJQLN-ISZGNANSSA-N -1 1 290.340 2.593 20 30 CFEDMM Cc1nn(C)c(C)c1N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866323960 638797047 /nfs/dbraw/zinc/79/70/47/638797047.db2.gz CWIGDNXUNSTUAS-VIFPVBQESA-N -1 1 270.336 2.787 20 30 CFEDMM Cn1ncc(Cl)c1/C=C/C(=O)c1ccc([O-])cc1 ZINC000122600059 639234014 /nfs/dbraw/zinc/23/40/14/639234014.db2.gz XNAKKWAAKCBRBT-VOTSOKGWSA-N -1 1 262.696 2.675 20 30 CFEDMM C[C@H](CC(F)(F)F)C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690454 639773349 /nfs/dbraw/zinc/77/33/49/639773349.db2.gz PCUCHFILOUHRHN-MRVPVSSYSA-N -1 1 272.226 2.557 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2CCCC(F)(F)C2)c1 ZINC000870690510 639773696 /nfs/dbraw/zinc/77/36/96/639773696.db2.gz QDGZFJJPGAAPKB-LLVKDONJSA-N -1 1 280.274 2.794 20 30 CFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccoc1 ZINC000193397398 650650086 /nfs/dbraw/zinc/65/00/86/650650086.db2.gz QCFZTDMJEDQRNF-LBPRGKRZSA-N -1 1 288.690 2.894 20 30 CFEDMM C=C(CC)CN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166683 641686252 /nfs/dbraw/zinc/68/62/52/641686252.db2.gz NIOWMQIBUJORBG-UHFFFAOYSA-N -1 1 275.348 2.718 20 30 CFEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NN2CCC2)cs1 ZINC000872398881 641792889 /nfs/dbraw/zinc/79/28/89/641792889.db2.gz LOZPNOJHOYITNX-UHFFFAOYSA-N -1 1 282.369 2.530 20 30 CFEDMM C#C[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C(C)C ZINC000873000788 641982060 /nfs/dbraw/zinc/98/20/60/641982060.db2.gz YBPFHMRKFICCHL-LBPRGKRZSA-N -1 1 280.755 2.503 20 30 CFEDMM C#C[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000873014966 641985220 /nfs/dbraw/zinc/98/52/20/641985220.db2.gz WEFUTBRYBYODOM-ZDUSSCGKSA-N -1 1 294.782 2.893 20 30 CFEDMM CC(C)(C#N)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000874929389 642555001 /nfs/dbraw/zinc/55/50/01/642555001.db2.gz BMNTXMNLJRQPJD-XFFZJAGNSA-N -1 1 272.329 2.812 20 30 CFEDMM CC1(C#N)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877181336 643192353 /nfs/dbraw/zinc/19/23/53/643192353.db2.gz ANFGWAKNCZXNLE-UHFFFAOYSA-N -1 1 266.291 2.796 20 30 CFEDMM C=CC[C@H](Sc1nc(C)c(C2CC2)c(=O)[n-]1)C(=O)OC ZINC000882277960 645260455 /nfs/dbraw/zinc/26/04/55/645260455.db2.gz UALUAXVEQHXNPX-JTQLQIEISA-N -1 1 294.376 2.578 20 30 CFEDMM CC(C)C1N=NC(=S)N1N=Cc1ccc([O-])c(F)c1F ZINC000884389695 646336736 /nfs/dbraw/zinc/33/67/36/646336736.db2.gz DRDDXJONZZVPMJ-UHFFFAOYSA-N -1 1 298.318 2.556 20 30 CFEDMM N#Cc1ccc(C(=O)NCC2CCC=CCC2)cc1[O-] ZINC000886017625 646819996 /nfs/dbraw/zinc/81/99/96/646819996.db2.gz IJTMXTPOQCONFY-UHFFFAOYSA-N -1 1 270.332 2.740 20 30 CFEDMM C#CCCCCCC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266372 646940304 /nfs/dbraw/zinc/94/03/04/646940304.db2.gz JZRLYEATHSWRRL-UHFFFAOYSA-N -1 1 295.329 2.913 20 30 CFEDMM C[C@]12CN(C(=O)c3cc([O-])cc(C#N)c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000887883522 647431048 /nfs/dbraw/zinc/43/10/48/647431048.db2.gz QKDGKWVDDXDBHX-PZMTTYODSA-N -1 1 296.370 2.772 20 30 CFEDMM C#CC[C@H]1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000889645319 647630689 /nfs/dbraw/zinc/63/06/89/647630689.db2.gz QAXUROXJVBUXHH-NSHDSACASA-N -1 1 292.766 2.600 20 30 CFEDMM C[C@@H](CN(CC#N)C1CCCC1)C(=O)c1ccc([O-])cc1 ZINC000929685011 649095460 /nfs/dbraw/zinc/09/54/60/649095460.db2.gz KCMOZJADJWFKBE-ZDUSSCGKSA-N -1 1 286.375 2.979 20 30 CFEDMM C=CCOc1cc(C)nc(-c2cccc([O-])c2F)n1 ZINC001243542373 782264285 /nfs/dbraw/zinc/26/42/85/782264285.db2.gz OUIFGFROUGRSGC-UHFFFAOYSA-N -1 1 260.268 2.862 20 30 CFEDMM N#Cc1c[nH]c2cc(-c3cc([O-])cc(F)c3)cnc12 ZINC001241277985 782281049 /nfs/dbraw/zinc/28/10/49/782281049.db2.gz SQOGVRSIUBBLFU-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM N#C[C@H]1CCCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583674 770965162 /nfs/dbraw/zinc/96/51/62/770965162.db2.gz QNDVUKLPBLCAPP-JTQLQIEISA-N -1 1 266.291 2.796 20 30 CFEDMM N#Cc1ccc(Nc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC001204476867 770172597 /nfs/dbraw/zinc/17/25/97/770172597.db2.gz PEIRGVWWQKCWQZ-UHFFFAOYSA-N -1 1 255.233 2.916 20 30 CFEDMM Cc1c(C)n(-c2cccc(Cl)c2[O-])c(N)c1C#N ZINC001210216077 770239758 /nfs/dbraw/zinc/23/97/58/770239758.db2.gz QAXDVROQONJHRJ-UHFFFAOYSA-N -1 1 261.712 2.907 20 30 CFEDMM [O-]/N=C/c1cccc(NCc2cc(Br)no2)c1 ZINC001167503323 770832721 /nfs/dbraw/zinc/83/27/21/770832721.db2.gz RGRNUICBRHPGPV-MKMNVTDBSA-N -1 1 296.124 2.857 20 30 CFEDMM O=C(C=Cc1cc(O)ccc1[N+](=O)[O-])c1sccc1[O-] ZINC000588598848 775262884 /nfs/dbraw/zinc/26/28/84/775262884.db2.gz HTQREVIXLRYIBK-RJRFIUFISA-N -1 1 291.284 2.964 20 30 CFEDMM C=C[C@H](CCCC)OCCCC[P@](=O)([O-])O ZINC001225019632 775338918 /nfs/dbraw/zinc/33/89/18/775338918.db2.gz ZDRUQPSULMHNTI-LLVKDONJSA-N -1 1 250.275 2.706 20 30 CFEDMM C=C(C)C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(=C)C ZINC001225664307 775546548 /nfs/dbraw/zinc/54/65/48/775546548.db2.gz MYJLVWDJKBFMEP-LLVKDONJSA-N -1 1 264.281 2.985 20 30 CFEDMM C=CC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)C ZINC001225664689 775547099 /nfs/dbraw/zinc/54/70/99/775547099.db2.gz RGZCAMVJMUWLBR-SNVBAGLBSA-N -1 1 252.270 2.675 20 30 CFEDMM C[C@@H](CC(C)(C)S)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663361 775547557 /nfs/dbraw/zinc/54/75/57/775547557.db2.gz DPYITBLDXQXDTE-ZETCQYMHSA-N -1 1 272.326 2.561 20 30 CFEDMM C[C@@H](Oc1cccc(/C=N/[O-])c1)C(=O)OC(C)(C)C ZINC001226114834 775703006 /nfs/dbraw/zinc/70/30/06/775703006.db2.gz RKWVCHKMXONSKL-KXUVPBGPSA-N -1 1 265.309 2.604 20 30 CFEDMM CC(C)CCOC(=O)[C@@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226114515 775703817 /nfs/dbraw/zinc/70/38/17/775703817.db2.gz LVUGOYWMNKEJRA-HMHNVIDESA-N -1 1 279.336 2.851 20 30 CFEDMM COc1cnc(=S)[n-]c1O[C@@H](C#N)c1ccccc1F ZINC001226246425 775752959 /nfs/dbraw/zinc/75/29/59/775752959.db2.gz PYNXHMCXAITLBP-JTQLQIEISA-N -1 1 291.307 2.557 20 30 CFEDMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H](C)CS)c12 ZINC001226484587 775842802 /nfs/dbraw/zinc/84/28/02/775842802.db2.gz GDSWZCIFJXURDF-QMMMGPOBSA-N -1 1 266.318 2.504 20 30 CFEDMM C=CC(C=C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487634 775842958 /nfs/dbraw/zinc/84/29/58/775842958.db2.gz ZZTULRPXSVEWIT-UHFFFAOYSA-N -1 1 258.273 2.926 20 30 CFEDMM C#C[C@H]1CCC[C@H]1Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487137 775843143 /nfs/dbraw/zinc/84/31/43/775843143.db2.gz VJKHNYILUUGDKU-WCQYABFASA-N -1 1 284.311 2.988 20 30 CFEDMM C#C[C@H](Oc1cc([O-])cc2oc(=O)cc(C)c12)C(C)C ZINC001226486954 775843217 /nfs/dbraw/zinc/84/32/17/775843217.db2.gz SVUOFSKOQIKYSW-LBPRGKRZSA-N -1 1 272.300 2.844 20 30 CFEDMM C#C[C@@H](C)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227305929 776176424 /nfs/dbraw/zinc/17/64/24/776176424.db2.gz CJMDEDZMZAVNAU-SECBINFHSA-N -1 1 296.278 2.758 20 30 CFEDMM C#C[C@H](CCCCC)Oc1[n-]c(=S)ncc1F ZINC001227382204 776189516 /nfs/dbraw/zinc/18/95/16/776189516.db2.gz BHXCVMCMKZBKBJ-SECBINFHSA-N -1 1 254.330 2.865 20 30 CFEDMM N#Cc1c([O-])ccc(OC[C@H]2Cc3ccccc3O2)c1C#N ZINC001227617840 776247040 /nfs/dbraw/zinc/24/70/40/776247040.db2.gz HWOMRUPPRBNPCI-GFCCVEGCSA-N -1 1 292.294 2.518 20 30 CFEDMM N#CCCN1CC(Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227647558 776249635 /nfs/dbraw/zinc/24/96/35/776249635.db2.gz ZQNVTOMDHQSFLX-UHFFFAOYSA-N -1 1 287.146 2.676 20 30 CFEDMM C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(=O)nc2c1CO[C@@H]2C ZINC001227716458 776268946 /nfs/dbraw/zinc/26/89/46/776268946.db2.gz QJQSYHPBLWLXHM-GHMZBOCLSA-N -1 1 288.347 2.756 20 30 CFEDMM N#Cc1ccc([O-])cc1OC[C@H]1COc2cscc2O1 ZINC001228006449 776359517 /nfs/dbraw/zinc/35/95/17/776359517.db2.gz BWIZVGWDXATNOR-NSHDSACASA-N -1 1 289.312 2.544 20 30 CFEDMM N#Cc1ccc([O-])cc1O[C@@H]1CCc2cccnc21 ZINC001228008548 776362073 /nfs/dbraw/zinc/36/20/73/776362073.db2.gz YKLAZRSRDMPKDX-CYBMUJFWSA-N -1 1 252.273 2.725 20 30 CFEDMM CSc1nc(O[C@@H](C#N)c2cccc(F)c2)cc(=O)[n-]1 ZINC001228094580 776394541 /nfs/dbraw/zinc/39/45/41/776394541.db2.gz KSBZBYWJYIIJNI-JTQLQIEISA-N -1 1 291.307 2.687 20 30 CFEDMM C#C[C@H](Oc1cc([O-])cc(O)c1C(=O)CC)C(C)C ZINC001228554463 776520294 /nfs/dbraw/zinc/52/02/94/776520294.db2.gz JLBOEJSQLPZMJI-ZDUSSCGKSA-N -1 1 262.305 2.727 20 30 CFEDMM C=C(C)[C@H]1CC=C(C)[C@H](Oc2cnnc(=S)[n-]2)C1 ZINC001228643144 776550216 /nfs/dbraw/zinc/55/02/16/776550216.db2.gz XIMQKJVVEHWKMF-WDEREUQCSA-N -1 1 263.366 2.840 20 30 CFEDMM C[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)[C@H](C)S ZINC001229136237 776728333 /nfs/dbraw/zinc/72/83/33/776728333.db2.gz UZSKGXYXQLIWPW-SFYZADRCSA-N -1 1 266.318 2.584 20 30 CFEDMM CCC#C[C@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229136225 776728361 /nfs/dbraw/zinc/72/83/61/776728361.db2.gz USDIMNOTZIEJGK-JTQLQIEISA-N -1 1 258.273 2.679 20 30 CFEDMM C#CC[C@H](CC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229216725 776754122 /nfs/dbraw/zinc/75/41/22/776754122.db2.gz UEVABSJKQHPCLU-NSHDSACASA-N -1 1 288.299 2.688 20 30 CFEDMM CCC1=C(Oc2cc([N+](=O)[O-])c(C)cc2[O-])C(=O)[C@@H](C)O1 ZINC001229749948 776885884 /nfs/dbraw/zinc/88/58/84/776885884.db2.gz ISDOIZGDLHCQOU-MRVPVSSYSA-N -1 1 293.275 2.597 20 30 CFEDMM Cc1cc([O-])c(O[C@@H]2CC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC001229749449 776886876 /nfs/dbraw/zinc/88/68/76/776886876.db2.gz ASGRPHBNMMQHSH-NXEZZACHSA-N -1 1 262.265 2.680 20 30 CFEDMM C=C1O[C@@H](CC)C(=O)C1Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229755508 776889030 /nfs/dbraw/zinc/88/90/30/776889030.db2.gz XXNYZWQVBOPUBX-NSHDSACASA-N -1 1 293.275 2.597 20 30 CFEDMM C#C[C@H]1CCC[C@H]1Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229754027 776889468 /nfs/dbraw/zinc/88/94/68/776889468.db2.gz KCIMQUJXVXADNR-GXFFZTMASA-N -1 1 261.277 2.790 20 30 CFEDMM C=C[C@@H](Oc1nc(C)[n-]c(=O)c1OC)c1ccccc1 ZINC001230027768 776945232 /nfs/dbraw/zinc/94/52/32/776945232.db2.gz ZRWPDRDXBDAGCB-GFCCVEGCSA-N -1 1 272.304 2.805 20 30 CFEDMM C=C(C)[C@H]1CC=C(C)[C@H](Oc2nc(C(=O)OC)c[n-]2)C1 ZINC001230279072 776970235 /nfs/dbraw/zinc/97/02/35/776970235.db2.gz BWTGIMGLEWAOKG-WCQYABFASA-N -1 1 276.336 2.876 20 30 CFEDMM C#C[C@H](Oc1cccnc1-c1ncccc1[O-])C(C)C ZINC001231204173 777171509 /nfs/dbraw/zinc/17/15/09/777171509.db2.gz OLFVUTTTWGXBEO-ZDUSSCGKSA-N -1 1 268.316 2.886 20 30 CFEDMM N#C[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001231459213 777226257 /nfs/dbraw/zinc/22/62/57/777226257.db2.gz VIFNVQQFHPYZMQ-NSHDSACASA-N -1 1 276.311 2.650 20 30 CFEDMM C=CCOc1ccc(CN=c2[n-]nc(C)n2C2CC2)cc1 ZINC000340714427 777596356 /nfs/dbraw/zinc/59/63/56/777596356.db2.gz WXRWXNIULWVRCU-UHFFFAOYSA-N -1 1 284.363 2.520 20 30 CFEDMM N#C[C@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232972944 777746190 /nfs/dbraw/zinc/74/61/90/777746190.db2.gz HUTRISXIXKZCCU-JTQLQIEISA-N -1 1 266.291 2.796 20 30 CFEDMM N#C[C@H]1CCCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233034945 777771563 /nfs/dbraw/zinc/77/15/63/777771563.db2.gz TVFDHMJRWNCSKV-JTQLQIEISA-N -1 1 265.744 2.566 20 30 CFEDMM N#Cc1ccc(CN2CC(Oc3ccc(F)cc3)C2)c([O-])c1 ZINC001233386759 777929177 /nfs/dbraw/zinc/92/91/77/777929177.db2.gz HUVYGTGSQPVLMP-UHFFFAOYSA-N -1 1 298.317 2.666 20 30 CFEDMM COc1ccc(CN2CCC(C#N)CC2)c([O-])c1Cl ZINC001236801666 778944419 /nfs/dbraw/zinc/94/44/19/778944419.db2.gz LAHGKFFJDOONRY-UHFFFAOYSA-N -1 1 280.755 2.790 20 30 CFEDMM C[C@@]1(F)CCN(Cc2cc(C#N)ccc2[O-])C[C@@H]1F ZINC001232673775 778961946 /nfs/dbraw/zinc/96/19/46/778961946.db2.gz NAMYITXJQCNLIG-UONOGXRCSA-N -1 1 266.291 2.536 20 30 CFEDMM CCC#C[C@@H](C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234044496 779126641 /nfs/dbraw/zinc/12/66/41/779126641.db2.gz LTOOVQXBNMQHIH-SNVBAGLBSA-N -1 1 272.304 2.530 20 30 CFEDMM CCC#C[C@@H](C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234044496 779126646 /nfs/dbraw/zinc/12/66/46/779126646.db2.gz LTOOVQXBNMQHIH-SNVBAGLBSA-N -1 1 272.304 2.530 20 30 CFEDMM CCN(CCC#N)Cc1cc(F)c(Cl)cc1[O-] ZINC001237937972 779211813 /nfs/dbraw/zinc/21/18/13/779211813.db2.gz WAKPGXAPXSDRQC-UHFFFAOYSA-N -1 1 256.708 2.920 20 30 CFEDMM N#C[C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237948429 779214209 /nfs/dbraw/zinc/21/42/09/779214209.db2.gz FEFJLLBQOPJAFI-MRVPVSSYSA-N -1 1 254.692 2.530 20 30 CFEDMM [O-]/N=C/c1ccc(F)c(-c2cnc(C3CC3)nc2)c1 ZINC001240685546 780358151 /nfs/dbraw/zinc/35/81/51/780358151.db2.gz CZAPKHBQLBDKSM-NGYBGAFCSA-N -1 1 257.268 2.968 20 30 CFEDMM COc1ncnc(Nc2cc(F)c([O-])c(Cl)c2)c1C#N ZINC001214486585 780358407 /nfs/dbraw/zinc/35/84/07/780358407.db2.gz ODLGALBTPQPNOQ-UHFFFAOYSA-N -1 1 294.673 2.599 20 30 CFEDMM C=CCOc1cc(C)nc(-c2ccc([O-])c(F)c2)n1 ZINC001240782167 780437056 /nfs/dbraw/zinc/43/70/56/780437056.db2.gz SKELPTGAGFKECU-UHFFFAOYSA-N -1 1 260.268 2.862 20 30 CFEDMM N#CCc1cnc(F)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241121642 780650818 /nfs/dbraw/zinc/65/08/18/780650818.db2.gz PJOVENDLGHYUEY-UHFFFAOYSA-N -1 1 264.206 2.938 20 30 CFEDMM CCOC(=O)c1nc2cc(-c3ccnc(C#N)c3)ccc2[n-]1 ZINC001241201545 780702117 /nfs/dbraw/zinc/70/21/17/780702117.db2.gz VSVXUKXQGDXDGB-UHFFFAOYSA-N -1 1 292.298 2.673 20 30 CFEDMM CCOC(=O)c1nc2ccc(-c3ccnc(C#N)c3)cc2[n-]1 ZINC001241201545 780702126 /nfs/dbraw/zinc/70/21/26/780702126.db2.gz VSVXUKXQGDXDGB-UHFFFAOYSA-N -1 1 292.298 2.673 20 30 CFEDMM COc1ccnc(-c2c(F)ccc([O-])c2F)c1C#N ZINC001241290751 780759550 /nfs/dbraw/zinc/75/95/50/780759550.db2.gz COPDFPUNWHJGLK-UHFFFAOYSA-N -1 1 262.215 2.613 20 30 CFEDMM N#Cc1cn(-c2cccc([O-])c2F)c2ccc(N)cc12 ZINC001212552190 781050258 /nfs/dbraw/zinc/05/02/58/781050258.db2.gz FRIMTJOPXZKEND-UHFFFAOYSA-N -1 1 267.263 2.929 20 30 CFEDMM N#Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncn1 ZINC001242151045 781302875 /nfs/dbraw/zinc/30/28/75/781302875.db2.gz FAQJPSLTROVTJX-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM COC(=O)c1ccc(C#N)cc1-c1cccc(F)c1[O-] ZINC001242352712 781426412 /nfs/dbraw/zinc/42/64/12/781426412.db2.gz ODOGEELKBFPDET-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM COc1cc(-c2ccc(/C=N/[O-])c(F)c2)c(OC)cn1 ZINC001242427934 781491734 /nfs/dbraw/zinc/49/17/34/781491734.db2.gz KNKLJIPGSNUUGA-REZTVBANSA-N -1 1 276.267 2.713 20 30 CFEDMM CCOC(=O)c1ccnc(-c2ccc([O-])c(C#N)c2)c1C ZINC001242561714 781600590 /nfs/dbraw/zinc/60/05/90/781600590.db2.gz BBGLMXISPLCRRJ-UHFFFAOYSA-N -1 1 282.299 2.811 20 30 CFEDMM N#Cc1cc(-c2cc(N)cc(C(F)(F)F)n2)ccc1[O-] ZINC001242562922 781601496 /nfs/dbraw/zinc/60/14/96/781601496.db2.gz OCXWZNHEHHXVRT-UHFFFAOYSA-N -1 1 279.221 2.927 20 30 CFEDMM CC(C)Oc1cncc(-c2ccc([O-])c(C#N)c2)n1 ZINC001242563536 781602609 /nfs/dbraw/zinc/60/26/09/781602609.db2.gz SBURZCDOMAJHBU-UHFFFAOYSA-N -1 1 255.277 2.508 20 30 CFEDMM N#Cc1cc(-c2cccc3c2CCC(=O)N3)ccc1[O-] ZINC001242565182 781603798 /nfs/dbraw/zinc/60/37/98/781603798.db2.gz PLCLJSOIUQBWKG-UHFFFAOYSA-N -1 1 264.284 2.816 20 30 CFEDMM Cc1[nH]c2c(ncnc2-c2ccc([O-])c(C#N)c2)c1C ZINC001242564414 781603822 /nfs/dbraw/zinc/60/38/22/781603822.db2.gz YIHLEKJYIFRJTQ-UHFFFAOYSA-N -1 1 264.288 2.819 20 30 CFEDMM COC(=O)c1ccc(OC)c(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565348 781604692 /nfs/dbraw/zinc/60/46/92/781604692.db2.gz YFVDNKNBGFMEHP-UHFFFAOYSA-N -1 1 283.283 2.726 20 30 CFEDMM CN1Cc2ccc(-c3ccc([O-])c(C#N)c3)cc2C1=O ZINC001242565245 781604902 /nfs/dbraw/zinc/60/49/02/781604902.db2.gz SPZODSSWQDUJAW-UHFFFAOYSA-N -1 1 264.284 2.516 20 30 CFEDMM N#Cc1cc(-c2ccccc2C2OCCO2)ccc1[O-] ZINC001242565215 781605221 /nfs/dbraw/zinc/60/52/21/781605221.db2.gz RFNKZWLIMCWFSI-UHFFFAOYSA-N -1 1 267.284 2.976 20 30 CFEDMM CC(=O)Nc1ncc(C)cc1-c1ccc([O-])c(C#N)c1 ZINC001242566526 781606185 /nfs/dbraw/zinc/60/61/85/781606185.db2.gz DJHCLRUEHRIEBQ-UHFFFAOYSA-N -1 1 267.288 2.593 20 30 CFEDMM CC(C)Cn1ccc(-c2ccc([O-])c(C#N)c2)cc1=O ZINC001242566694 781606200 /nfs/dbraw/zinc/60/62/00/781606200.db2.gz LBUHGNXOQCZINU-UHFFFAOYSA-N -1 1 268.316 2.749 20 30 CFEDMM C=C[C@H](CCCC)Oc1nc(C)[n-]c(=O)c1OC ZINC001230025062 781843714 /nfs/dbraw/zinc/84/37/14/781843714.db2.gz IBRWBRRXLBISQU-SNVBAGLBSA-N -1 1 252.314 2.623 20 30 CFEDMM CCc1nc(SCC2(CC#N)CC2)[n-]c(=O)c1C ZINC000594903528 349499728 /nfs/dbraw/zinc/49/97/28/349499728.db2.gz GIZLSUFELADMNJ-UHFFFAOYSA-N -1 1 263.366 2.839 20 30 CFEDMM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)C1CCCCC1 ZINC000595376362 349612378 /nfs/dbraw/zinc/61/23/78/349612378.db2.gz JVOJMHQFOXYUMF-LLVKDONJSA-N -1 1 296.392 2.646 20 30 CFEDMM C=CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000070224172 346908507 /nfs/dbraw/zinc/90/85/07/346908507.db2.gz ZDWIMQZUTPYUQB-UHFFFAOYSA-N -1 1 272.178 2.519 20 30 CFEDMM CC(C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccccn3)n2)on1 ZINC000071121987 346920994 /nfs/dbraw/zinc/92/09/94/346920994.db2.gz OUFRAQIJTSHLGB-UHFFFAOYSA-N -1 1 298.306 2.614 20 30 CFEDMM CC[C@H](N=c1[n-]c(C#N)c(Cl)s1)C1CCOCC1 ZINC000596146777 349808954 /nfs/dbraw/zinc/80/89/54/349808954.db2.gz JEUIPJKXDNVSOE-VIFPVBQESA-N -1 1 285.800 2.707 20 30 CFEDMM N#Cc1[n-]c(=N[C@H]2CCC(F)(F)C2)sc1Cl ZINC000596162834 349813861 /nfs/dbraw/zinc/81/38/61/349813861.db2.gz QOEOVGZOHIRRMU-YFKPBYRVSA-N -1 1 263.700 2.690 20 30 CFEDMM N#Cc1[n-]c(=N[C@@H]2C[C@H]2C2CCC2)sc1Cl ZINC000596281703 349852354 /nfs/dbraw/zinc/85/23/54/349852354.db2.gz UAUVKCNYVFQPQR-JGVFFNPUSA-N -1 1 253.758 2.691 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(O[C@@H](C)CC)c1 ZINC000088485314 260232605 /nfs/dbraw/zinc/23/26/05/260232605.db2.gz ZWVVDHXCLBAZIW-SMDDNHRTSA-N -1 1 296.392 2.908 20 30 CFEDMM O=C(NCC#Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000022416884 346249255 /nfs/dbraw/zinc/24/92/55/346249255.db2.gz NWKNLUFMDQRPJI-UHFFFAOYSA-N -1 1 285.730 2.827 20 30 CFEDMM Cc1ccsc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041574335 346353188 /nfs/dbraw/zinc/35/31/88/346353188.db2.gz GNYRKJMQZHGZKY-NSHDSACASA-N -1 1 271.345 2.953 20 30 CFEDMM C=CCCCN(C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000077108075 347168509 /nfs/dbraw/zinc/16/85/09/347168509.db2.gz TWZZLLOZWNECBH-UHFFFAOYSA-N -1 1 285.347 2.682 20 30 CFEDMM C=CCCCN(C)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000077108075 347168512 /nfs/dbraw/zinc/16/85/12/347168512.db2.gz TWZZLLOZWNECBH-UHFFFAOYSA-N -1 1 285.347 2.682 20 30 CFEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000127982428 347846435 /nfs/dbraw/zinc/84/64/35/347846435.db2.gz CKUXSALVBRHUQD-UHFFFAOYSA-N -1 1 276.346 2.601 20 30 CFEDMM CC(C)c1cc(C(=O)[N-]c2sccc2C#N)on1 ZINC000264996391 348319335 /nfs/dbraw/zinc/31/93/35/348319335.db2.gz LWWHKTCSKLGNIT-UHFFFAOYSA-N -1 1 261.306 2.983 20 30 CFEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]2CCC[C@H]21 ZINC000584675333 348704652 /nfs/dbraw/zinc/70/46/52/348704652.db2.gz JVYYIIMXWODWOW-KGLIPLIRSA-N -1 1 284.359 2.915 20 30 CFEDMM CCOc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589168299 348815152 /nfs/dbraw/zinc/81/51/52/348815152.db2.gz CXHAXCGSSDYKHT-UHFFFAOYSA-N -1 1 296.326 2.593 20 30 CFEDMM C[C@H]1CCC[C@@H](CNC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589170132 348815182 /nfs/dbraw/zinc/81/51/82/348815182.db2.gz JPSOTCIWXVCRCH-NWDGAFQWSA-N -1 1 272.348 2.820 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2ccccn2)c1 ZINC000589170195 348815477 /nfs/dbraw/zinc/81/54/77/348815477.db2.gz MXVADWWOLSOMLJ-INIZCTEOSA-N -1 1 293.326 2.636 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCc3ccccc32)c1 ZINC000589180279 348815909 /nfs/dbraw/zinc/81/59/09/348815909.db2.gz NCVUWCLLCIAOOY-CQSZACIVSA-N -1 1 292.338 2.724 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000589175477 348816450 /nfs/dbraw/zinc/81/64/50/348816450.db2.gz KUGQLIMAGRTFJS-UHFFFAOYSA-N -1 1 294.310 2.841 20 30 CFEDMM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc([O-])cc(C#N)c3)C2)C1 ZINC000589199831 348818661 /nfs/dbraw/zinc/81/86/61/348818661.db2.gz OYWBDAHFSKSJCJ-PXAZEXFGSA-N -1 1 284.359 2.916 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC3(C2)CCCCC3)c1 ZINC000589197636 348819069 /nfs/dbraw/zinc/81/90/69/348819069.db2.gz GDGBSBDBLUQYFB-UHFFFAOYSA-N -1 1 270.332 2.670 20 30 CFEDMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589207545 348819682 /nfs/dbraw/zinc/81/96/82/348819682.db2.gz ABFBHRANZKUWEM-IINYFYTJSA-N -1 1 258.321 2.524 20 30 CFEDMM CC(C)(C)[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589201838 348820006 /nfs/dbraw/zinc/82/00/06/348820006.db2.gz FMTMWLQAPLWNKS-ZDUSSCGKSA-N -1 1 272.348 2.772 20 30 CFEDMM CC[C@H]1[C@@H](C)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589207544 348820042 /nfs/dbraw/zinc/82/00/42/348820042.db2.gz ABFBHRANZKUWEM-HZMBPMFUSA-N -1 1 258.321 2.524 20 30 CFEDMM C[C@H]1CCCC[C@]1(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000590893885 348963398 /nfs/dbraw/zinc/96/33/98/348963398.db2.gz RXUGRCGZNNCZIU-ZBEGNZNMSA-N -1 1 272.348 2.962 20 30 CFEDMM N#CCN(C(=O)c1ncc2ccccc2c1[O-])C1CCCC1 ZINC000597276837 350078199 /nfs/dbraw/zinc/07/81/99/350078199.db2.gz SKIPXFFHOCWSST-UHFFFAOYSA-N -1 1 295.342 2.849 20 30 CFEDMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000598299005 350229282 /nfs/dbraw/zinc/22/92/82/350229282.db2.gz AVDPOFAGQUWOTH-VXGBXAGGSA-N -1 1 272.348 2.915 20 30 CFEDMM N#CC1(CNC(=O)c2c([O-])cccc2F)CCCCC1 ZINC000598311078 350232002 /nfs/dbraw/zinc/23/20/02/350232002.db2.gz NEZAGPNRLAPAMT-UHFFFAOYSA-N -1 1 276.311 2.735 20 30 CFEDMM N#CC1(CNC(=O)c2c(F)ccc([O-])c2F)CCCCC1 ZINC000598313732 350232665 /nfs/dbraw/zinc/23/26/65/350232665.db2.gz PXFFXUBIOBOLNU-UHFFFAOYSA-N -1 1 294.301 2.874 20 30 CFEDMM C=CC(C)(C)CCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000600165256 350526862 /nfs/dbraw/zinc/52/68/62/350526862.db2.gz PNGFXFAZYHONDE-UHFFFAOYSA-N -1 1 258.321 2.596 20 30 CFEDMM N#C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C1CC1 ZINC000601077314 350660455 /nfs/dbraw/zinc/66/04/55/350660455.db2.gz QDKFLPKAADWOAX-ZCFIWIBFSA-N -1 1 275.255 2.595 20 30 CFEDMM N#Cc1ccc(Cn2[n-]c3c(c2=O)CCCCC3)cc1 ZINC000601944987 350813827 /nfs/dbraw/zinc/81/38/27/350813827.db2.gz JVBAJBXDATTWPO-CQSZACIVSA-N -1 1 267.332 2.837 20 30 CFEDMM Cc1cc(=O)n(-c2ccc(C#N)cc2C(F)(F)F)[n-]1 ZINC000601950499 350816919 /nfs/dbraw/zinc/81/69/19/350816919.db2.gz VECNKGQAVJDECM-UHFFFAOYSA-N -1 1 267.210 2.690 20 30 CFEDMM CN(C(=O)c1ncc2ccccc2c1[O-])[C@@H]1CCC[C@H]1C#N ZINC000601802469 350778186 /nfs/dbraw/zinc/77/81/86/350778186.db2.gz TYLWYRSEZFEUQY-SMDDNHRTSA-N -1 1 295.342 2.705 20 30 CFEDMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000601804842 350779133 /nfs/dbraw/zinc/77/91/33/350779133.db2.gz MTKJAJRXUXWRIF-DGCLKSJQSA-N -1 1 292.766 2.739 20 30 CFEDMM CC(C)(CC#N)CNC(=O)N=c1[n-]sc2ccccc21 ZINC000603049744 351094952 /nfs/dbraw/zinc/09/49/52/351094952.db2.gz AEPLHPKJFJJNKC-UHFFFAOYSA-N -1 1 288.376 2.780 20 30 CFEDMM CN(C(=O)c1ccc([O-])c(F)c1)c1cccc(C#N)c1 ZINC000613449139 351961835 /nfs/dbraw/zinc/96/18/35/351961835.db2.gz SNKMSOMAYMFHAY-UHFFFAOYSA-N -1 1 270.263 2.680 20 30 CFEDMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(C#N)c1 ZINC000613511387 351973056 /nfs/dbraw/zinc/97/30/56/351973056.db2.gz OEMQTPGDATWQCH-JTQLQIEISA-N -1 1 284.290 2.894 20 30 CFEDMM Cc1c(C#N)cccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613516986 351974394 /nfs/dbraw/zinc/97/43/94/351974394.db2.gz AQCHKSWWZSODGO-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM CC[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614294906 352076538 /nfs/dbraw/zinc/07/65/38/352076538.db2.gz AOBUSJOKPBRMGW-NSHDSACASA-N -1 1 258.321 2.526 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCc3occc32)c1 ZINC000614295562 352077241 /nfs/dbraw/zinc/07/72/41/352077241.db2.gz RNZFHEVFWVJRHF-AWEZNQCLSA-N -1 1 282.299 2.664 20 30 CFEDMM CCC[C@@H]1SCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000614370043 352086403 /nfs/dbraw/zinc/08/64/03/352086403.db2.gz YJXWNHFXJDNJGX-ZDUSSCGKSA-N -1 1 276.361 2.579 20 30 CFEDMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614371739 352086475 /nfs/dbraw/zinc/08/64/75/352086475.db2.gz VCUVIMMDFQOPKC-LLVKDONJSA-N -1 1 296.326 2.803 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1[O-] ZINC000615478586 352198282 /nfs/dbraw/zinc/19/82/82/352198282.db2.gz ZDGKTYBOCVZEFV-GJZGRUSLSA-N -1 1 284.359 2.962 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@@H]2c2cccc(F)c2)cc1[O-] ZINC000615429109 352192289 /nfs/dbraw/zinc/19/22/89/352192289.db2.gz KSLZSNIOOLWBIQ-OAHLLOKOSA-N -1 1 296.301 2.990 20 30 CFEDMM Cc1ccc2c(c1)CCN(C(=O)c1cc([O-])cc(C#N)c1)C2 ZINC000616480625 352356958 /nfs/dbraw/zinc/35/69/58/352356958.db2.gz MPZRYXUCJLBIPP-UHFFFAOYSA-N -1 1 292.338 2.771 20 30 CFEDMM C=CC[C@@H]1CCCN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000617781837 352645109 /nfs/dbraw/zinc/64/51/09/352645109.db2.gz UKCYEWDPHNGYEH-GFCCVEGCSA-N -1 1 260.337 2.524 20 30 CFEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(C)n1 ZINC000619671451 353047682 /nfs/dbraw/zinc/04/76/82/353047682.db2.gz KNWMTTXKSAXHRR-UHFFFAOYSA-N -1 1 267.288 2.528 20 30 CFEDMM C=CC[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000625705649 354092525 /nfs/dbraw/zinc/09/25/25/354092525.db2.gz WWOZSGYFJDUXJS-SNVBAGLBSA-N -1 1 275.377 2.795 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1[O-] ZINC000443270313 241050666 /nfs/dbraw/zinc/05/06/66/241050666.db2.gz HOXCHVSMHWBUDX-JKSUJKDBSA-N -1 1 292.338 2.625 20 30 CFEDMM Cc1ccc(C(=O)Nc2cccc(C#N)c2)c([O-])c1 ZINC000019807239 372190562 /nfs/dbraw/zinc/19/05/62/372190562.db2.gz ISHCPFCRMYLNAD-UHFFFAOYSA-N -1 1 252.273 2.825 20 30 CFEDMM CCCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000036744151 372588867 /nfs/dbraw/zinc/58/88/67/372588867.db2.gz SIBNZAJNSCRUGB-UHFFFAOYSA-N -1 1 250.224 2.992 20 30 CFEDMM Cc1cnc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000329224149 227363879 /nfs/dbraw/zinc/36/38/79/227363879.db2.gz ZEIMDONZKJPKQI-LBPRGKRZSA-N -1 1 290.363 2.892 20 30 CFEDMM N#CC1(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000678886556 542088797 /nfs/dbraw/zinc/08/87/97/542088797.db2.gz PQWYATKQIOCPKW-UHFFFAOYSA-N -1 1 284.359 2.591 20 30 CFEDMM CN(C(=O)c1ccc(Cl)cc1[O-])C1(C#N)CCC1 ZINC000154925117 378604026 /nfs/dbraw/zinc/60/40/26/378604026.db2.gz XMSOTHNQJXYYSV-UHFFFAOYSA-N -1 1 264.712 2.564 20 30 CFEDMM CC1(C2CC2)CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000336019760 380247032 /nfs/dbraw/zinc/24/70/32/380247032.db2.gz MDMNTOYMDASWPU-UHFFFAOYSA-N -1 1 284.359 2.916 20 30 CFEDMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336319419 380314624 /nfs/dbraw/zinc/31/46/24/380314624.db2.gz SKEDNJJDOZNSCM-NSHDSACASA-N -1 1 270.332 2.669 20 30 CFEDMM N#CCC[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000178854252 380489374 /nfs/dbraw/zinc/48/93/74/380489374.db2.gz MMSAELYWHOHGSN-OAHLLOKOSA-N -1 1 281.315 2.562 20 30 CFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccoc2)c(Cl)c1 ZINC000336614654 380550948 /nfs/dbraw/zinc/55/09/48/380550948.db2.gz OPIDBIFEUDGTLV-UHFFFAOYSA-N -1 1 282.708 2.605 20 30 CFEDMM Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C#N)s3)n2)o1 ZINC000359016814 381216902 /nfs/dbraw/zinc/21/69/02/381216902.db2.gz ICTZAXIVDPBHFI-UHFFFAOYSA-N -1 1 299.315 2.559 20 30 CFEDMM C=C(C)Cn1c(CCc2ccco2)n[n-]c1=NC(C)(C)C ZINC000361317103 381819361 /nfs/dbraw/zinc/81/93/61/381819361.db2.gz XWAARWIGISGJBM-UHFFFAOYSA-N -1 1 288.395 2.865 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1CSC ZINC000416956614 381978233 /nfs/dbraw/zinc/97/82/33/381978233.db2.gz NFPQZHRALHYIFA-LLVKDONJSA-N -1 1 284.406 2.593 20 30 CFEDMM C=CCCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000351577876 382046467 /nfs/dbraw/zinc/04/64/67/382046467.db2.gz VLIOHVJTBOAFAP-UHFFFAOYSA-N -1 1 293.310 2.739 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1[O-] ZINC000188250147 382376714 /nfs/dbraw/zinc/37/67/14/382376714.db2.gz WQCHHBANYWUHTH-HNNXBMFYSA-N -1 1 293.326 2.636 20 30 CFEDMM CCSCC[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188588160 382440188 /nfs/dbraw/zinc/44/01/88/382440188.db2.gz LVVQHMFFVNLFOS-SNVBAGLBSA-N -1 1 278.377 2.525 20 30 CFEDMM N#Cc1ccc(C(=O)NCc2cc3ccccc3[nH]2)cc1[O-] ZINC000442633051 382939019 /nfs/dbraw/zinc/93/90/19/382939019.db2.gz HMDFKUOJEWYHDP-UHFFFAOYSA-N -1 1 291.310 2.675 20 30 CFEDMM N#CC1CCC(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000619674638 383146693 /nfs/dbraw/zinc/14/66/93/383146693.db2.gz WMMKMHLXESLCNS-UHFFFAOYSA-N -1 1 276.311 2.591 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1[O-] ZINC000526941512 383439098 /nfs/dbraw/zinc/43/90/98/383439098.db2.gz NYVOZCKGLKGBDY-HNNXBMFYSA-N -1 1 293.326 2.636 20 30 CFEDMM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000526943456 383440251 /nfs/dbraw/zinc/44/02/51/383440251.db2.gz PZMRAFBDCPECLW-IINYFYTJSA-N -1 1 296.326 2.910 20 30 CFEDMM C=C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435427957 383774914 /nfs/dbraw/zinc/77/49/14/383774914.db2.gz PRWFKORPTLXVGA-LURJTMIESA-N -1 1 298.166 2.985 20 30 CFEDMM CC1CC(C#N)(C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000572837447 383823365 /nfs/dbraw/zinc/82/33/65/383823365.db2.gz HRSXAVNHTLUBMR-UHFFFAOYSA-N -1 1 266.247 2.549 20 30 CFEDMM C=CCN(CC(F)(F)F)C(=O)c1ccc([O-])cc1F ZINC000272236988 385483732 /nfs/dbraw/zinc/48/37/32/385483732.db2.gz MRGWEQPMLQZSIH-UHFFFAOYSA-N -1 1 277.217 2.722 20 30 CFEDMM C=CCCCCCCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000287208473 385804738 /nfs/dbraw/zinc/80/47/38/385804738.db2.gz VGZKMEUSNBMXIY-UHFFFAOYSA-N -1 1 275.348 2.828 20 30 CFEDMM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188542812 393565850 /nfs/dbraw/zinc/56/58/50/393565850.db2.gz GJCITFJAAABEPM-QWRGUYRKSA-N -1 1 258.321 2.667 20 30 CFEDMM C[C@H](CCC#N)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000412998064 393777322 /nfs/dbraw/zinc/77/73/22/393777322.db2.gz WUZRQHFPZQGGMV-ZCFIWIBFSA-N -1 1 277.271 2.985 20 30 CFEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)C1=CCCC1 ZINC000416504863 393922766 /nfs/dbraw/zinc/92/27/66/393922766.db2.gz YQFPGIRFALXAGB-UHFFFAOYSA-N -1 1 294.376 2.566 20 30 CFEDMM CC(C)CC(CC(C)C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557811640 395047192 /nfs/dbraw/zinc/04/71/92/395047192.db2.gz GDLZPBMHSMROII-UHFFFAOYSA-N -1 1 298.408 2.890 20 30 CFEDMM N#Cc1c[nH]c2nc(-c3cc(F)ccc3[O-])ccc12 ZINC001240694585 782009996 /nfs/dbraw/zinc/00/99/96/782009996.db2.gz ZSDFNIMIPVMIHP-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM CCCC1CCC([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000344304921 162003064 /nfs/dbraw/zinc/00/30/64/162003064.db2.gz OKJZVGBRXHLZAN-UHFFFAOYSA-N -1 1 296.392 2.788 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3oc(=O)[nH]c3c2)n1 ZINC000347526916 226196894 /nfs/dbraw/zinc/19/68/94/226196894.db2.gz UIYWOWAAWSLPRU-VIFPVBQESA-N -1 1 299.311 2.788 20 30 CFEDMM N#CC(=C([O-])c1ccccc1OC(F)F)c1ccncn1 ZINC000354476945 227011515 /nfs/dbraw/zinc/01/15/15/227011515.db2.gz SNOBATXXIDDADR-SNVBAGLBSA-N -1 1 289.241 2.568 20 30 CFEDMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000329360406 227468222 /nfs/dbraw/zinc/46/82/22/227468222.db2.gz XWZDTTREYVWZII-AXTRIDKLSA-N -1 1 251.257 2.544 20 30 CFEDMM N#Cc1c[nH]c2ncc(-c3ccc([O-])c(F)c3)cc12 ZINC001240786335 782032451 /nfs/dbraw/zinc/03/24/51/782032451.db2.gz HCWRSHVSMXXLMK-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM CCCN(CC#N)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000186673834 262105051 /nfs/dbraw/zinc/10/50/51/262105051.db2.gz IOJWWDFFGOULFW-UHFFFAOYSA-N -1 1 296.754 2.820 20 30 CFEDMM CCCc1cc(=O)[n-]c(S[C@@H](C)CCC#N)n1 ZINC000194967790 262244252 /nfs/dbraw/zinc/24/42/52/262244252.db2.gz PTAIHYMTGPBNBG-VIFPVBQESA-N -1 1 251.355 2.919 20 30 CFEDMM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188591153 262321793 /nfs/dbraw/zinc/32/17/93/262321793.db2.gz NGNHIWVSJXXGCM-QWRGUYRKSA-N -1 1 258.321 2.524 20 30 CFEDMM COCCCn1nccc1/C=C/C(=O)c1ccc([O-])cc1 ZINC000283003580 263080336 /nfs/dbraw/zinc/08/03/36/263080336.db2.gz NLHDJGVFRNHQBM-VMPITWQZSA-N -1 1 286.331 2.521 20 30 CFEDMM CC[C@](C)(C#N)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000285770009 263095582 /nfs/dbraw/zinc/09/55/82/263095582.db2.gz NAWKZFMNYFGIOY-GFCCVEGCSA-N -1 1 252.701 2.924 20 30 CFEDMM C[C@H](C[C@@H]1CCCO1)NC(=O)c1c(F)ccc([O-])c1F ZINC000330860224 264055583 /nfs/dbraw/zinc/05/55/83/264055583.db2.gz PHMKFRORIXGOID-BDAKNGLRSA-N -1 1 285.290 2.933 20 30 CFEDMM Cc1csc([C@@H](C)NC(=O)c2ncc(C)cc2[O-])n1 ZINC000331213803 264163865 /nfs/dbraw/zinc/16/38/65/264163865.db2.gz UHZUFHJYXOPSOH-SECBINFHSA-N -1 1 277.349 2.926 20 30 CFEDMM Cc1csc([C@H](C)NC(=O)c2ncc(C)cc2[O-])n1 ZINC000331213804 264163886 /nfs/dbraw/zinc/16/38/86/264163886.db2.gz UHZUFHJYXOPSOH-VIFPVBQESA-N -1 1 277.349 2.926 20 30 CFEDMM COc1cc(C(=O)NC2(CO)CCCC2)cc(Cl)c1[O-] ZINC000331261554 264184670 /nfs/dbraw/zinc/18/46/70/264184670.db2.gz CNUMCUYZFSDCEF-UHFFFAOYSA-N -1 1 299.754 2.664 20 30 CFEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(F)ccc2[O-])C1 ZINC000094153539 265221001 /nfs/dbraw/zinc/22/10/01/265221001.db2.gz WKSJSPNSLCUCHG-ZUZCIYMTSA-N -1 1 276.311 2.734 20 30 CFEDMM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(C#N)cc1OC ZINC000519761479 265583791 /nfs/dbraw/zinc/58/37/91/265583791.db2.gz STVYRDCWGJDUKR-LBPRGKRZSA-N -1 1 296.392 2.887 20 30 CFEDMM CC1(C)CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188529084 278199980 /nfs/dbraw/zinc/19/99/80/278199980.db2.gz FGAVHRMRXFECMV-UHFFFAOYSA-N -1 1 272.348 2.962 20 30 CFEDMM C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188544511 279016213 /nfs/dbraw/zinc/01/62/13/279016213.db2.gz USIVJUACHAKXQH-GFCCVEGCSA-N -1 1 292.338 2.851 20 30 CFEDMM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000356627946 279068094 /nfs/dbraw/zinc/06/80/94/279068094.db2.gz XHCJVZODHDJQRV-MGPLVRAMSA-N -1 1 294.310 2.516 20 30 CFEDMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1C#N ZINC000137189796 280786556 /nfs/dbraw/zinc/78/65/56/280786556.db2.gz XPPOVIUUEAQFAF-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#CC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCC1 ZINC000278079095 328223446 /nfs/dbraw/zinc/22/34/46/328223446.db2.gz GEKWZACRUSDMLK-UHFFFAOYSA-N -1 1 259.240 2.527 20 30 CFEDMM N#Cc1ccc(C(=O)NC23CCC(CC2)CC3)cc1[O-] ZINC000572577297 322623857 /nfs/dbraw/zinc/62/38/57/322623857.db2.gz JBJJJJWFFGFBSO-UHFFFAOYSA-N -1 1 270.332 2.716 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1CSC ZINC000416956615 328435406 /nfs/dbraw/zinc/43/54/06/328435406.db2.gz NFPQZHRALHYIFA-NSHDSACASA-N -1 1 284.406 2.593 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1[O-] ZINC000188240923 324011249 /nfs/dbraw/zinc/01/12/49/324011249.db2.gz NQCRHZNZERUMLX-LLVKDONJSA-N -1 1 298.264 2.678 20 30 CFEDMM N#Cc1ccc(C(=O)NCc2ccc(Cl)s2)cc1[O-] ZINC000188275648 324011907 /nfs/dbraw/zinc/01/19/07/324011907.db2.gz CBPZOTYNXCTSRN-UHFFFAOYSA-N -1 1 292.747 2.909 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1[O-] ZINC000188387321 324013918 /nfs/dbraw/zinc/01/39/18/324013918.db2.gz FWELNUVSVYEQRW-CABCVRRESA-N -1 1 296.301 2.689 20 30 CFEDMM N#Cc1ccc(C(=O)N(C2CC2)C2CCCC2)cc1[O-] ZINC000188543456 324017189 /nfs/dbraw/zinc/01/71/89/324017189.db2.gz FRTGFYJYMYRHJT-UHFFFAOYSA-N -1 1 270.332 2.811 20 30 CFEDMM Cc1noc(C)c1C[C@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC000330663557 328465747 /nfs/dbraw/zinc/46/57/47/328465747.db2.gz QGRXAYMBCSZCBL-VIFPVBQESA-N -1 1 289.335 2.636 20 30 CFEDMM CCC(CC)CN(CCC#N)C(=O)c1ncc(C)cc1[O-] ZINC000427094421 327202180 /nfs/dbraw/zinc/20/21/80/327202180.db2.gz QEVSBEYTHSVNLQ-UHFFFAOYSA-N -1 1 289.379 2.888 20 30 CFEDMM C=C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000335706112 327517200 /nfs/dbraw/zinc/51/72/00/327517200.db2.gz OYAZSFYPBFCYRQ-UHFFFAOYSA-N -1 1 251.713 2.838 20 30 CFEDMM C=CC[C@@H](CC)Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000393756894 329089412 /nfs/dbraw/zinc/08/94/12/329089412.db2.gz HRWPYOWSZBPKMI-SECBINFHSA-N -1 1 291.376 2.886 20 30 CFEDMM C#CCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277477931 330116130 /nfs/dbraw/zinc/11/61/30/330116130.db2.gz ILOHDQOZRBYLOP-UHFFFAOYSA-N -1 1 296.164 2.574 20 30 CFEDMM C=CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)C1CC1 ZINC000442803571 330784810 /nfs/dbraw/zinc/78/48/10/330784810.db2.gz XCEZSSCRZNDSPN-UHFFFAOYSA-N -1 1 281.739 2.845 20 30 CFEDMM C=CCSCC[N-]S(=O)(=O)c1sccc1Cl ZINC000451124073 331016638 /nfs/dbraw/zinc/01/66/38/331016638.db2.gz GSIQZLVLUYRJLU-UHFFFAOYSA-N -1 1 297.854 2.599 20 30 CFEDMM C=CCC1(NC(=O)c2cncc([O-])c2)CCCCC1 ZINC000456361166 331190982 /nfs/dbraw/zinc/19/09/82/331190982.db2.gz FKWRINIOMGVFHE-UHFFFAOYSA-N -1 1 260.337 2.796 20 30 CFEDMM C=CCOCCCSc1nc(CCC)cc(=O)[n-]1 ZINC000475942765 331649236 /nfs/dbraw/zinc/64/92/36/331649236.db2.gz UIFIGNSFAFGKGS-UHFFFAOYSA-N -1 1 268.382 2.820 20 30 CFEDMM CCc1nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)co1 ZINC000547491015 334093626 /nfs/dbraw/zinc/09/36/26/334093626.db2.gz OVKQWYOMOIVDQU-JTQLQIEISA-N -1 1 294.314 2.912 20 30 CFEDMM CC(C)[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000336171642 519824926 /nfs/dbraw/zinc/82/49/26/519824926.db2.gz LSRQOKUGPJJWLB-AWEZNQCLSA-N -1 1 272.348 2.772 20 30 CFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C#N ZINC000235895815 525421700 /nfs/dbraw/zinc/42/17/00/525421700.db2.gz SAIQIEUYJDJUPS-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2CSc3ccccc32)cc1[O-] ZINC000336447807 526601800 /nfs/dbraw/zinc/60/18/00/526601800.db2.gz SLGSAWKJNAFKSY-ZDUSSCGKSA-N -1 1 296.351 2.841 20 30 CFEDMM CC(C)C(CNC(=O)c1ccc(C#N)c([O-])c1)C(C)C ZINC000192628319 527586345 /nfs/dbraw/zinc/58/63/45/527586345.db2.gz QFUGGGZUMUQXCS-UHFFFAOYSA-N -1 1 274.364 2.922 20 30 CFEDMM O=C([O-])c1ccccc1N=NCc1cn2cccc(F)c2n1 ZINC000755602292 574170880 /nfs/dbraw/zinc/17/08/80/574170880.db2.gz VXPIHBQFMXZNOP-UHFFFAOYSA-N -1 1 298.277 2.618 20 30 CFEDMM C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739054991 574195381 /nfs/dbraw/zinc/19/53/81/574195381.db2.gz VHZZBHKBWFBEMB-FRRDWIJNSA-N -1 1 287.363 2.692 20 30 CFEDMM C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739054998 574195646 /nfs/dbraw/zinc/19/56/46/574195646.db2.gz VHZZBHKBWFBEMB-XQQFMLRXSA-N -1 1 287.363 2.692 20 30 CFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2Cc3ccccc3C2)cc1 ZINC000739108196 574198929 /nfs/dbraw/zinc/19/89/29/574198929.db2.gz UNGDLOPVWBUSGZ-MRXNPFEDSA-N -1 1 278.311 2.700 20 30 CFEDMM Cc1nn(C)c2ncc(/C=C\C(=O)c3ccc([O-])cc3)cc12 ZINC000748510760 574256522 /nfs/dbraw/zinc/25/65/22/574256522.db2.gz JEYQSIXCEAQVIG-BAQGIRSFSA-N -1 1 293.326 2.878 20 30 CFEDMM Cc1cccc2ncc(/C=C3/Oc4cc([O-])ccc4C3=O)n21 ZINC000748998615 574275895 /nfs/dbraw/zinc/27/58/95/574275895.db2.gz NBHYQNCSZGYJGO-VIZOYTHASA-N -1 1 292.294 2.965 20 30 CFEDMM [O-]c1c(F)cc(CN=Nc2cncc(Cl)n2)cc1F ZINC000749859139 574313105 /nfs/dbraw/zinc/31/31/05/574313105.db2.gz QKKLSFPXPJZEOM-UHFFFAOYSA-N -1 1 284.653 2.560 20 30 CFEDMM C=CCN(C/C=C(\C)C(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000825682357 601159447 /nfs/dbraw/zinc/15/94/47/601159447.db2.gz XYNGBJHHBGGTCR-KPKJPENVSA-N -1 1 290.319 2.614 20 30 CFEDMM CC[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000818261360 601498712 /nfs/dbraw/zinc/49/87/12/601498712.db2.gz HYHSAAMPJNMPRL-YZJXFOOCSA-N -1 1 276.119 2.981 20 30 CFEDMM CC(C)CN(CCC#N)Cc1ccc(C(=O)[O-])cc1 ZINC000044420194 601760251 /nfs/dbraw/zinc/76/02/51/601760251.db2.gz BUOZFZCUSMAIQS-UHFFFAOYSA-N -1 1 260.337 2.756 20 30 CFEDMM Cc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c(O)c1 ZINC000832911106 601825896 /nfs/dbraw/zinc/82/58/96/601825896.db2.gz KWLKWRHQYPHDCF-HYXAFXHYSA-N -1 1 271.272 2.623 20 30 CFEDMM C=C(Br)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000833367601 604954135 /nfs/dbraw/zinc/95/41/35/604954135.db2.gz OXFFILSUVZLROT-ZYHUDNBSSA-N -1 1 298.180 2.947 20 30 CFEDMM C[C@H](C(=O)[O-])n1cccc1C=NNc1ccccc1F ZINC000833406996 605039133 /nfs/dbraw/zinc/03/91/33/605039133.db2.gz PYWUCCMBINEHRR-SNVBAGLBSA-N -1 1 275.283 2.719 20 30 CFEDMM CC(C)(C(=O)[O-])[C@@H](NCC1(C#N)CC1)c1ccccc1 ZINC000833414406 605077044 /nfs/dbraw/zinc/07/70/44/605077044.db2.gz RHLHKJCJQDWXJX-ZDUSSCGKSA-N -1 1 272.348 2.732 20 30 CFEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(O)cc1O ZINC000254851137 605098215 /nfs/dbraw/zinc/09/82/15/605098215.db2.gz MEDHVLZKWZIAFB-UHFFFAOYSA-N -1 1 286.287 2.632 20 30 CFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000822929650 606387903 /nfs/dbraw/zinc/38/79/03/606387903.db2.gz WHHKJVGOXCUUOQ-HWKANZROSA-N -1 1 288.357 2.886 20 30 CFEDMM C=CC[C@@H]1CCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000890561818 617654224 /nfs/dbraw/zinc/65/42/24/617654224.db2.gz LFHIKCYHZFTFAO-SNVBAGLBSA-N -1 1 281.739 2.845 20 30 CFEDMM Cc1ncsc1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000255161916 618022349 /nfs/dbraw/zinc/02/23/49/618022349.db2.gz BSWUZQIHYFHCSJ-VZUCSPMQSA-N -1 1 259.286 2.773 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NN[C@@H](C)C(F)(F)F ZINC000901249656 620771681 /nfs/dbraw/zinc/77/16/81/620771681.db2.gz FKQXMBHMBRVSSA-ZETCQYMHSA-N -1 1 264.222 2.714 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(O)c(F)c1 ZINC000255734638 618272851 /nfs/dbraw/zinc/27/28/51/618272851.db2.gz AYVARELTYQKJRV-MKMNVTDBSA-N -1 1 272.231 2.853 20 30 CFEDMM [O-]c1ccc(C=NOCC2CC2)cc1Br ZINC000814243472 618469178 /nfs/dbraw/zinc/46/91/78/618469178.db2.gz YINXYNZKIVIJED-UHFFFAOYSA-N -1 1 270.126 2.915 20 30 CFEDMM O=C(/C=C/c1ccnn1C1CCC1)c1cc(O)ccc1[O-] ZINC000899361985 620553081 /nfs/dbraw/zinc/55/30/81/620553081.db2.gz GOGJDKGISBNLBG-GQCTYLIASA-N -1 1 284.315 2.915 20 30 CFEDMM C#CCOc1cccc(Cl)c1CN(C)C[C@H](C)C(=O)[O-] ZINC000901595697 620865749 /nfs/dbraw/zinc/86/57/49/620865749.db2.gz AFKMCXKDHJRNHK-NSHDSACASA-N -1 1 295.766 2.505 20 30 CFEDMM C[C@H](N[C@H](c1ncccn1)C1CC1)c1cccc(C#N)c1[O-] ZINC000903323481 621323389 /nfs/dbraw/zinc/32/33/89/621323389.db2.gz NIINZAWZKBFDFP-NHYWBVRUSA-N -1 1 294.358 2.856 20 30 CFEDMM C[C@@]1(C(=O)N([O-])Cc2ccc(F)cc2)CCCCO1 ZINC000904177295 621543232 /nfs/dbraw/zinc/54/32/32/621543232.db2.gz AJDVGVOOHLQXJB-AWEZNQCLSA-N -1 1 267.300 2.503 20 30 CFEDMM COC1(C(=O)N([O-])Cc2ccccc2Cl)CCC1 ZINC000904191141 621546460 /nfs/dbraw/zinc/54/64/60/621546460.db2.gz VGZRXTVARWQQDT-UHFFFAOYSA-N -1 1 269.728 2.627 20 30 CFEDMM C=CCO[N-]C(=O)Cc1sc(CCCC)nc1C ZINC000909283218 622338639 /nfs/dbraw/zinc/33/86/39/622338639.db2.gz SVFLJOTUSJENOE-UHFFFAOYSA-N -1 1 268.382 2.570 20 30 CFEDMM CC[C@@](C)(C#N)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987246 622380400 /nfs/dbraw/zinc/38/04/00/622380400.db2.gz NHBSSRIECBDCOV-LBPRGKRZSA-N -1 1 254.236 2.549 20 30 CFEDMM CC1(C#N)CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000833551169 625569367 /nfs/dbraw/zinc/56/93/67/625569367.db2.gz HXBHMJCETJIDIT-UHFFFAOYSA-N -1 1 276.311 2.650 20 30 CFEDMM C[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C1CC1 ZINC000057307447 622997908 /nfs/dbraw/zinc/99/79/08/622997908.db2.gz SPPTZDKIIKHQFE-YFKPBYRVSA-N -1 1 262.235 2.848 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1cccc(N(C)C)n1 ZINC000194806009 625684116 /nfs/dbraw/zinc/68/41/16/625684116.db2.gz XHAICLKYNBXTNU-UHFFFAOYSA-N -1 1 299.440 2.860 20 30 CFEDMM CC(C)ON=Cc1cc(O)cc(Br)c1[O-] ZINC000835000904 623925108 /nfs/dbraw/zinc/92/51/08/623925108.db2.gz SPATZXVNQMUTPE-UHFFFAOYSA-N -1 1 274.114 2.619 20 30 CFEDMM CC(C)CCNC(=S)NN=Cc1ccc([O-])c(Cl)c1 ZINC000921256909 624827709 /nfs/dbraw/zinc/82/77/09/624827709.db2.gz DTZJYSBMIHUQOK-UHFFFAOYSA-N -1 1 299.827 2.890 20 30 CFEDMM C#CC[C@H](OC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C1CC1 ZINC000175337532 624947964 /nfs/dbraw/zinc/94/79/64/624947964.db2.gz MULZCKQWMMCQLB-AWEZNQCLSA-N -1 1 284.315 2.937 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2cccc3nccn32)c1 ZINC000180315595 625012944 /nfs/dbraw/zinc/01/29/44/625012944.db2.gz BRVGGTFYVSAGIB-FNORWQNLSA-N -1 1 294.310 2.945 20 30 CFEDMM CC1(C)OCC[C@H]1NN=Cc1ccc([O-])c(Cl)c1 ZINC000835014055 625959945 /nfs/dbraw/zinc/95/99/45/625959945.db2.gz NAQWPCWYEVBODF-GFCCVEGCSA-N -1 1 268.744 2.537 20 30 CFEDMM C#CCOc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000187189967 626479189 /nfs/dbraw/zinc/47/91/89/626479189.db2.gz CAJSNQOCLNHUFB-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cccc2c1OCCO2 ZINC000187221544 626480907 /nfs/dbraw/zinc/48/09/07/626480907.db2.gz CWUBQASFPDSFNV-JYRVWZFOSA-N -1 1 294.306 2.986 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1CN=Nc1ncc(F)cn1 ZINC000790171698 626541230 /nfs/dbraw/zinc/54/12/30/626541230.db2.gz ZQBHUTSDOUOUNP-UHFFFAOYSA-N -1 1 284.653 2.560 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC3(CCCC3)C2)c1 ZINC000809700327 626562281 /nfs/dbraw/zinc/56/22/81/626562281.db2.gz DCPFKUCRTDRXST-UHFFFAOYSA-N -1 1 270.332 2.670 20 30 CFEDMM N#CC(=C([O-])C=Cc1cccc(F)c1)c1ccncn1 ZINC000760356544 626739301 /nfs/dbraw/zinc/73/93/01/626739301.db2.gz IFMNBTIQFNBPBV-MUBLQREKSA-N -1 1 267.263 2.505 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2ccnc3ccccc23)nc1 ZINC000763372079 626984142 /nfs/dbraw/zinc/98/41/42/626984142.db2.gz QOPCPCITXPKHGG-UHFFFAOYSA-N -1 1 292.298 2.774 20 30 CFEDMM CCCCCCCCCC(=O)[N-]O[C@H]1CCCN(C)C1=O ZINC000764939633 627107776 /nfs/dbraw/zinc/10/77/76/627107776.db2.gz KRAYMFPCKAVJBI-AWEZNQCLSA-N -1 1 298.427 2.796 20 30 CFEDMM C#CCCN(CC(F)(F)F)C(=O)c1cc(F)ccc1[O-] ZINC000768613601 627358447 /nfs/dbraw/zinc/35/84/47/627358447.db2.gz FGFFWXZMKFJCTK-UHFFFAOYSA-N -1 1 289.228 2.559 20 30 CFEDMM CCC[C@@H](C)C(CC)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769819293 627477976 /nfs/dbraw/zinc/47/79/76/627477976.db2.gz PCQBYDRAOUOGIZ-SECBINFHSA-N -1 1 290.371 2.683 20 30 CFEDMM C=CC[C@H](NC(=O)c1c([O-])cccc1F)c1ccncc1 ZINC000772063543 627669467 /nfs/dbraw/zinc/66/94/67/627669467.db2.gz DQYUJAPTQIKEBR-ZDUSSCGKSA-N -1 1 286.306 2.974 20 30 CFEDMM COc1c([O-])c(C=NOC2CCCCC2)ccc1[N+](=O)[O-] ZINC000773075246 627779251 /nfs/dbraw/zinc/77/92/51/627779251.db2.gz WHIOCBLCHPLQND-UHFFFAOYSA-N -1 1 294.307 2.992 20 30 CFEDMM CC(C)(C#N)CCOC(=O)c1ccc([O-])cc1F ZINC000776399661 628143843 /nfs/dbraw/zinc/14/38/43/628143843.db2.gz MTMOVKUYEKGLLK-UHFFFAOYSA-N -1 1 251.257 2.628 20 30 CFEDMM C#CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(F)c1[O-] ZINC000778518885 628312407 /nfs/dbraw/zinc/31/24/07/628312407.db2.gz CKUSEJBJWVLWCX-INIZCTEOSA-N -1 1 296.301 2.731 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2sccc2Cl)n1 ZINC000782096490 628604142 /nfs/dbraw/zinc/60/41/42/628604142.db2.gz JMIFJGGSSCBGHM-UHFFFAOYSA-N -1 1 268.729 2.652 20 30 CFEDMM O=C([O-])c1csc(/C=C\C(=O)c2ccc(O)cc2O)c1 ZINC000782206808 628614470 /nfs/dbraw/zinc/61/44/70/628614470.db2.gz KHVCYMPWVPLTMP-RQOWECAXSA-N -1 1 290.296 2.754 20 30 CFEDMM CC(C)(C)CCNN=Cc1n[nH]c2cc(C(=O)[O-])ccc12 ZINC000782902917 628662574 /nfs/dbraw/zinc/66/25/74/628662574.db2.gz LGKUMSXDCFRRJN-UHFFFAOYSA-N -1 1 288.351 2.621 20 30 CFEDMM C#CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000785413245 628880316 /nfs/dbraw/zinc/88/03/16/628880316.db2.gz HGNANPHOWWJIGC-INIZCTEOSA-N -1 1 290.322 2.758 20 30 CFEDMM C#CCC1(C(=O)[N-]OCC(F)(F)F)CCCCC1 ZINC000788232127 629052668 /nfs/dbraw/zinc/05/26/68/629052668.db2.gz KLNVULJFBHJUNG-UHFFFAOYSA-N -1 1 263.259 2.570 20 30 CFEDMM COc1cccc(NN=C(C)c2cc(C(=O)[O-])ccc2C)n1 ZINC000788439702 629067058 /nfs/dbraw/zinc/06/70/58/629067058.db2.gz VLPRMUJFCWBUCG-UHFFFAOYSA-N -1 1 299.330 2.933 20 30 CFEDMM Cc1ccc2nc(/C=C\C(=O)c3cc(O)ccc3[O-])cn2c1 ZINC000789144577 629129557 /nfs/dbraw/zinc/12/95/57/629129557.db2.gz VSAZHFOBPKJJIH-HYXAFXHYSA-N -1 1 294.310 2.950 20 30 CFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000790328098 629232914 /nfs/dbraw/zinc/23/29/14/629232914.db2.gz OCNGJRARPPJWPC-JTQLQIEISA-N -1 1 289.759 2.559 20 30 CFEDMM C#C[C@H](CCC)NC(=O)c1c([O-])cccc1Cl ZINC000791742777 629350204 /nfs/dbraw/zinc/35/02/04/629350204.db2.gz LNZXUYQJWFMRIU-SECBINFHSA-N -1 1 251.713 2.577 20 30 CFEDMM CC[C@H](C)CON=Cc1n[nH]c2cc(C(=O)[O-])ccc12 ZINC000793160734 629495218 /nfs/dbraw/zinc/49/52/18/629495218.db2.gz XDGUUHXFUISDSW-VIFPVBQESA-N -1 1 275.308 2.658 20 30 CFEDMM C=CCN(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794564994 629661654 /nfs/dbraw/zinc/66/16/54/629661654.db2.gz HLQZPCHFFUIIHN-UHFFFAOYSA-N -1 1 279.723 2.770 20 30 CFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000794580096 629664086 /nfs/dbraw/zinc/66/40/86/629664086.db2.gz IAKLQOWXLLCGFO-UHFFFAOYSA-N -1 1 296.351 2.535 20 30 CFEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccnc(F)c1 ZINC000794720211 629679306 /nfs/dbraw/zinc/67/93/06/629679306.db2.gz RUXRABMWJBEMOQ-IWQZZHSRSA-N -1 1 261.227 2.962 20 30 CFEDMM CC(=NNc1cccc(F)n1)c1ccccc1C(=O)[O-] ZINC000795008944 629723418 /nfs/dbraw/zinc/72/34/18/629723418.db2.gz UNRUDTQELQYBPY-UHFFFAOYSA-N -1 1 273.267 2.755 20 30 CFEDMM C#C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(C)C ZINC000799045664 630270096 /nfs/dbraw/zinc/27/00/96/630270096.db2.gz NHWOSJUUCKEUTA-LLVKDONJSA-N -1 1 287.256 2.831 20 30 CFEDMM CCc1ccccc1-n1cc([O-])c(C(=O)O[C@@H](C#N)CC)n1 ZINC000801418725 630446241 /nfs/dbraw/zinc/44/62/41/630446241.db2.gz UNTURSPBSFAPQH-GFCCVEGCSA-N -1 1 299.330 2.599 20 30 CFEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2)c(O)c1 ZINC000806558395 630810809 /nfs/dbraw/zinc/81/08/09/630810809.db2.gz BFNVMKVDVXPMSS-RMKNXTFCSA-N -1 1 268.268 2.987 20 30 CFEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1cn2c(n1)CCCC2 ZINC000806565206 630813612 /nfs/dbraw/zinc/81/36/12/630813612.db2.gz JUIWAJSKOSAIBW-FNORWQNLSA-N -1 1 286.306 2.960 20 30 CFEDMM Cc1cccc(C)c1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000809724462 631271375 /nfs/dbraw/zinc/27/13/75/631271375.db2.gz KZEUQWHZWLIYFM-UHFFFAOYSA-N -1 1 280.327 2.811 20 30 CFEDMM C#CCCCS(=O)(=O)[N-]c1ccc(C2CCC2)cn1 ZINC000840950997 631278590 /nfs/dbraw/zinc/27/85/90/631278590.db2.gz WSRHPBFLKXEGBL-UHFFFAOYSA-N -1 1 278.377 2.504 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCc3cccc(C)c32)n1 ZINC000841601625 631427894 /nfs/dbraw/zinc/42/78/94/631427894.db2.gz GFDRIGUWVGCNGM-UHFFFAOYSA-N -1 1 268.320 2.561 20 30 CFEDMM CC(NNc1ccc(C(=O)[O-])c(F)c1)=C1CC1(F)F ZINC000841641109 631441122 /nfs/dbraw/zinc/44/11/22/631441122.db2.gz NGNIAULBSFCNRI-SECBINFHSA-N -1 1 272.226 2.967 20 30 CFEDMM N#Cc1csc(/C=C/C(=O)c2ccc([O-])cc2)n1 ZINC000811685440 631605372 /nfs/dbraw/zinc/60/53/72/631605372.db2.gz SDFFBJCGFFFGOP-AATRIKPKSA-N -1 1 256.286 2.616 20 30 CFEDMM Cc1c(Cl)c[n-]c(=NOCCOC(C)C)c1C#N ZINC000812488314 631725108 /nfs/dbraw/zinc/72/51/08/631725108.db2.gz DOTLGRDQVZICGY-UHFFFAOYSA-N -1 1 269.732 2.684 20 30 CFEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000867321174 631884606 /nfs/dbraw/zinc/88/46/06/631884606.db2.gz ISGJUCCWBOSFJD-AWEZNQCLSA-N -1 1 277.345 2.513 20 30 CFEDMM C#CC1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000844047831 632103367 /nfs/dbraw/zinc/10/33/67/632103367.db2.gz WDNYSMBBDHOADN-UHFFFAOYSA-N -1 1 297.276 2.896 20 30 CFEDMM [O-]c1cccc(C=NNCC(F)(F)F)c1Cl ZINC000814904530 632157559 /nfs/dbraw/zinc/15/75/59/632157559.db2.gz NEMBQFFUMAFXSX-UHFFFAOYSA-N -1 1 252.623 2.531 20 30 CFEDMM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1cccc(F)n1 ZINC000814928009 632169070 /nfs/dbraw/zinc/16/90/70/632169070.db2.gz RIHDPQCWHFOUOR-UHFFFAOYSA-N -1 1 287.294 2.982 20 30 CFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ncoc2C)cc1 ZINC000105757405 632363435 /nfs/dbraw/zinc/36/34/35/632363435.db2.gz FBEHNJQOFOJYGS-CYBMUJFWSA-N -1 1 297.314 2.507 20 30 CFEDMM C[C@@]1(CCNC(=O)c2ccc(C#N)c([O-])c2)C[C@@]1(F)Cl ZINC000846401330 632702602 /nfs/dbraw/zinc/70/26/02/632702602.db2.gz CBJPTAXGYYVWOD-KGLIPLIRSA-N -1 1 296.729 2.698 20 30 CFEDMM C[C@]1(CCNC(=O)c2cc([O-])cc(C#N)c2)C[C@]1(F)Cl ZINC000846411753 632705976 /nfs/dbraw/zinc/70/59/76/632705976.db2.gz OUZRILSRLPDXSU-UONOGXRCSA-N -1 1 296.729 2.698 20 30 CFEDMM C=C(C)CONC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000846533150 632723270 /nfs/dbraw/zinc/72/32/70/632723270.db2.gz AOLHKAOKUDCJTF-UHFFFAOYSA-N -1 1 275.226 2.649 20 30 CFEDMM C=C(C)CO[N-]C(=O)Cc1ccc(Br)s1 ZINC000846538964 632728275 /nfs/dbraw/zinc/72/82/75/632728275.db2.gz NCLHGYIDRSKSTP-UHFFFAOYSA-N -1 1 290.182 2.677 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000846556161 632741641 /nfs/dbraw/zinc/74/16/41/632741641.db2.gz YNFJQCDCNCTQGI-NSHDSACASA-N -1 1 263.312 2.771 20 30 CFEDMM CCn1nncc1/C=C\C(=O)c1c(C)cc(C)cc1[O-] ZINC000841487524 632933454 /nfs/dbraw/zinc/93/34/54/632933454.db2.gz WVCPLSXWFYVHIL-WAYWQWQTSA-N -1 1 271.320 2.517 20 30 CFEDMM O=C(/C=C/c1cc2n(n1)CCCC2)c1cc(O)ccc1[O-] ZINC000848640393 633306624 /nfs/dbraw/zinc/30/66/24/633306624.db2.gz LVYPGWDKBIJMQB-GQCTYLIASA-N -1 1 284.315 2.527 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cc2n(n1)CCCC2 ZINC000848639980 633306687 /nfs/dbraw/zinc/30/66/87/633306687.db2.gz ZXTZAXAQSYUWIV-NVNXTCNLSA-N -1 1 282.299 2.541 20 30 CFEDMM Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccc([O-])cc1 ZINC000849240139 633588050 /nfs/dbraw/zinc/58/80/50/633588050.db2.gz GPYHBOBRKRMSTG-HJWRWDBZSA-N -1 1 268.316 2.899 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2cn(C3CCC3)nn2)c1 ZINC000849246648 633589861 /nfs/dbraw/zinc/58/98/61/633589861.db2.gz JRKQJVDOMBPUQP-ALCCZGGFSA-N -1 1 299.330 2.613 20 30 CFEDMM Cc1ccc([O-])c(C(=O)/C=C/c2cn(C3CCC3)nn2)c1 ZINC000849247692 633590634 /nfs/dbraw/zinc/59/06/34/633590634.db2.gz VZJLVBAKKZBEGO-SOFGYWHQSA-N -1 1 283.331 2.913 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C)c2C)c(=O)o1 ZINC000108658552 633639254 /nfs/dbraw/zinc/63/92/54/633639254.db2.gz ROXFMSZTEUDTEV-KXPUMZMLSA-N -1 1 284.311 2.532 20 30 CFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000048653762 650274545 /nfs/dbraw/zinc/27/45/45/650274545.db2.gz RVPVOQFZAUTTBD-UHFFFAOYSA-N -1 1 289.331 2.916 20 30 CFEDMM C#CC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000862562118 637429782 /nfs/dbraw/zinc/42/97/82/637429782.db2.gz VGFUOJNWQMNGAA-SNVBAGLBSA-N -1 1 263.724 2.531 20 30 CFEDMM N#Cc1ccc(-c2cnn([C@@H]3CCCCO3)c2)c([O-])c1 ZINC000863728848 637764037 /nfs/dbraw/zinc/76/40/37/637764037.db2.gz VTJSWQAQHMTAEC-HNNXBMFYSA-N -1 1 269.304 2.826 20 30 CFEDMM C#CC[C@@H](CCOC)NC(=O)c1cc2ccccc2cc1[O-] ZINC000863791010 637780698 /nfs/dbraw/zinc/78/06/98/637780698.db2.gz VYDLJSMUPJSOHX-HNNXBMFYSA-N -1 1 297.354 2.704 20 30 CFEDMM O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)c1ccc([O-])cc1 ZINC000189432240 650380716 /nfs/dbraw/zinc/38/07/16/650380716.db2.gz BEOOBOBCLXBFLP-LREOWRDNSA-N -1 1 295.294 2.619 20 30 CFEDMM CCn1cc(N[C@H](C)c2cccc(C#N)c2[O-])cn1 ZINC000866325564 638797440 /nfs/dbraw/zinc/79/74/40/638797440.db2.gz LJXQDAGLSSOTQM-SNVBAGLBSA-N -1 1 256.309 2.653 20 30 CFEDMM CCc1nnc(CN[C@@H](C)c2cccc(C#N)c2[O-])s1 ZINC000866361576 638804116 /nfs/dbraw/zinc/80/41/16/638804116.db2.gz PXLXUCBHDRJHAG-VIFPVBQESA-N -1 1 288.376 2.529 20 30 CFEDMM C#C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000868371445 638941093 /nfs/dbraw/zinc/94/10/93/638941093.db2.gz VAADYLRXOBIESR-CYBMUJFWSA-N -1 1 279.767 2.752 20 30 CFEDMM C#CCO[N-]C(=O)[C@@](C)(Cc1ccccc1)C(C)C ZINC000869254951 639106835 /nfs/dbraw/zinc/10/68/35/639106835.db2.gz UUFFLLQTWZPLJW-INIZCTEOSA-N -1 1 259.349 2.572 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)C2CC3(CCC3)C2)c1 ZINC000870690069 639772507 /nfs/dbraw/zinc/77/25/07/639772507.db2.gz IJIQYNMROSZJCG-UHFFFAOYSA-N -1 1 256.305 2.549 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@H]2C[C@H]2C2CCCC2)c1 ZINC000870690915 639773853 /nfs/dbraw/zinc/77/38/53/639773853.db2.gz WLOVUSLEHYRHSS-GJZGRUSLSA-N -1 1 270.332 2.795 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2CC3CCC2CC3)c1 ZINC000870690542 639773895 /nfs/dbraw/zinc/77/38/95/639773895.db2.gz QKPQTBGILLVZSO-ABIUDSBCSA-N -1 1 270.332 2.795 20 30 CFEDMM N#C[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000079825788 650622139 /nfs/dbraw/zinc/62/21/39/650622139.db2.gz BVQITDNOZNXOED-LBPRGKRZSA-N -1 1 280.327 2.921 20 30 CFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccoc1 ZINC000193397410 650650226 /nfs/dbraw/zinc/65/02/26/650650226.db2.gz QCFZTDMJEDQRNF-GFCCVEGCSA-N -1 1 288.690 2.894 20 30 CFEDMM O=C(/C=C/c1cc2n(n1)CCCC2)c1cccc([O-])c1F ZINC000871672776 641395013 /nfs/dbraw/zinc/39/50/13/641395013.db2.gz YCTUDYSAIHBGPY-BQYQJAHWSA-N -1 1 286.306 2.960 20 30 CFEDMM C=CCN(C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000876395738 642851934 /nfs/dbraw/zinc/85/19/34/642851934.db2.gz OKSVQRFUHXSNEK-UHFFFAOYSA-N -1 1 280.755 2.906 20 30 CFEDMM CC(C)CN(CCC#N)C(=O)c1cc(F)ccc1[O-] ZINC000128560662 644798195 /nfs/dbraw/zinc/79/81/95/644798195.db2.gz FJQHWQNGSXFAOE-UHFFFAOYSA-N -1 1 264.300 2.543 20 30 CFEDMM C#C[C@H](NC(=O)c1ccc(Br)cc1[O-])C(C)C ZINC000304161492 651016170 /nfs/dbraw/zinc/01/61/70/651016170.db2.gz HUPBBSMWYCWGBS-NSHDSACASA-N -1 1 296.164 2.542 20 30 CFEDMM N#CCOc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000132839458 645970958 /nfs/dbraw/zinc/97/09/58/645970958.db2.gz MEKCKBSDEAYFBL-UHFFFAOYSA-N -1 1 286.262 2.686 20 30 CFEDMM C#CCC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCC1 ZINC000886804965 647146061 /nfs/dbraw/zinc/14/60/61/647146061.db2.gz QCWJGAKHRKFPOG-UHFFFAOYSA-N -1 1 277.751 2.650 20 30 CFEDMM C#C[C@@H](CCC)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932051206 649529288 /nfs/dbraw/zinc/52/92/88/649529288.db2.gz CZVODAQLPPGCQR-LBPRGKRZSA-N -1 1 298.346 2.501 20 30 CFEDMM N#Cc1cc(Nc2c(Cl)ccc([O-])c2F)ccn1 ZINC001214554689 782194800 /nfs/dbraw/zinc/19/48/00/782194800.db2.gz ZMEBUZPCPNMAJO-UHFFFAOYSA-N -1 1 263.659 2.617 20 30 CFEDMM CCc1nnc(-c2cccc([O-])c2F)c(C#N)c1CC ZINC001243546892 782269589 /nfs/dbraw/zinc/26/95/89/782269589.db2.gz RAUPCRUJGQGMPJ-UHFFFAOYSA-N -1 1 271.295 2.985 20 30 CFEDMM Cc1ncccc1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000588535296 770950036 /nfs/dbraw/zinc/95/00/36/770950036.db2.gz YVIWFGATKXCFEI-QPEQYQDCSA-N -1 1 251.285 2.918 20 30 CFEDMM C=C[C@@H](C#CC(C)(C)C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664132 775547014 /nfs/dbraw/zinc/54/70/14/775547014.db2.gz KDCUVUOVFWIKED-JTQLQIEISA-N -1 1 276.292 2.678 20 30 CFEDMM C=C[C@@H](C#CC(C)(C)C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664132 775547023 /nfs/dbraw/zinc/54/70/23/775547023.db2.gz KDCUVUOVFWIKED-JTQLQIEISA-N -1 1 276.292 2.678 20 30 CFEDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1C#N ZINC001225663331 775547040 /nfs/dbraw/zinc/54/70/40/775547040.db2.gz CZAXQSVTCHFOOV-VIFPVBQESA-N -1 1 285.259 2.707 20 30 CFEDMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C#N)c1ccccc1 ZINC001225679755 775554983 /nfs/dbraw/zinc/55/49/83/775554983.db2.gz SCLBFSNVQHMDSR-HNNXBMFYSA-N -1 1 283.283 2.944 20 30 CFEDMM COc1cnc(=S)[n-]c1O[C@H](C#N)c1ccccc1F ZINC001226246426 775753027 /nfs/dbraw/zinc/75/30/27/775753027.db2.gz PYNXHMCXAITLBP-SNVBAGLBSA-N -1 1 291.307 2.557 20 30 CFEDMM C=CCC[C@@H](CC)Oc1[n-]c(=S)ncc1OC ZINC001226246300 775753169 /nfs/dbraw/zinc/75/31/69/775753169.db2.gz PGQBWSVISIBYJD-SECBINFHSA-N -1 1 254.355 2.898 20 30 CFEDMM CC[C@@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1F ZINC001226254908 775757552 /nfs/dbraw/zinc/75/75/52/775757552.db2.gz FJMIAHCODBGERR-LFMVTYOGSA-N -1 1 275.283 2.954 20 30 CFEDMM C=C(C)CCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001141204675 776004158 /nfs/dbraw/zinc/00/41/58/776004158.db2.gz ZXEWHKQFWUTNCN-UHFFFAOYSA-N -1 1 274.295 2.776 20 30 CFEDMM CCC[C@@H](C#Cc1ccccc1)Oc1cnc[n-]c1=O ZINC001227050653 776074069 /nfs/dbraw/zinc/07/40/69/776074069.db2.gz CNHNROPRFAMOFB-AWEZNQCLSA-N -1 1 268.316 2.781 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1OCC(=O)OC(C)C ZINC001227120670 776106957 /nfs/dbraw/zinc/10/69/57/776106957.db2.gz QHAFVORTNJNDRD-UHFFFAOYSA-N -1 1 292.331 2.654 20 30 CFEDMM C=CC[C@@H](Oc1[n-]c(=O)ncc1Br)C(C)C ZINC001227136658 776110709 /nfs/dbraw/zinc/11/07/09/776110709.db2.gz BUYXKMXJHLICMT-SECBINFHSA-N -1 1 287.157 2.924 20 30 CFEDMM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[n-]c(=O)nc3c2COC3)C1 ZINC001227690785 776259907 /nfs/dbraw/zinc/25/99/07/776259907.db2.gz PGMFXWHVORQTOQ-BXUZGUMPSA-N -1 1 288.347 2.892 20 30 CFEDMM CC1(C)CC(=O)CC[C@H]1Oc1cc([O-])ccc1C#N ZINC001228006601 776359237 /nfs/dbraw/zinc/35/92/37/776359237.db2.gz FOYJDMHWRSDSNQ-CQSZACIVSA-N -1 1 259.305 2.790 20 30 CFEDMM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc([O-])ccc1C#N ZINC001228008039 776361338 /nfs/dbraw/zinc/36/13/38/776361338.db2.gz VRXDSJAHWHYCQO-ZIAGYGMSSA-N -1 1 289.331 2.765 20 30 CFEDMM C=C[C@@H](CCCCCCC)Oc1nc(C(=O)OC)n[n-]1 ZINC001228311740 776453950 /nfs/dbraw/zinc/45/39/50/776453950.db2.gz OANZPVCSXZIPBO-NSHDSACASA-N -1 1 281.356 2.885 20 30 CFEDMM C=C[C@@H](CCCCCCC)Oc1n[n-]c(C(=O)OC)n1 ZINC001228311740 776453955 /nfs/dbraw/zinc/45/39/55/776453955.db2.gz OANZPVCSXZIPBO-NSHDSACASA-N -1 1 281.356 2.885 20 30 CFEDMM C#C[C@@H](CCCCC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228694950 776571032 /nfs/dbraw/zinc/57/10/32/776571032.db2.gz HCSBDSMRNZJHJX-ZDUSSCGKSA-N -1 1 270.336 2.828 20 30 CFEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000692896928 776571847 /nfs/dbraw/zinc/57/18/47/776571847.db2.gz YOABIUYSPWAIQV-MRVPVSSYSA-N -1 1 292.763 2.507 20 30 CFEDMM C#C[C@H](Oc1cc([O-])cc2oc(=O)ccc12)C(C)C ZINC001229131457 776726612 /nfs/dbraw/zinc/72/66/12/776726612.db2.gz JUTRQTQLHVVOHZ-LBPRGKRZSA-N -1 1 258.273 2.535 20 30 CFEDMM C#C[C@H](CC(C)C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134205 776728781 /nfs/dbraw/zinc/72/87/81/776728781.db2.gz GNFARGODIKYZJH-GFCCVEGCSA-N -1 1 272.300 2.925 20 30 CFEDMM C#C[C@@H](C)Oc1cc(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001229294452 776772797 /nfs/dbraw/zinc/77/27/97/776772797.db2.gz PDQNLFQQZWYCLQ-LLVKDONJSA-N -1 1 282.295 2.729 20 30 CFEDMM C#C[C@@H](C)Oc1cc([O-])ccc1C(=O)Cc1ccc(O)cc1 ZINC001229427283 776808071 /nfs/dbraw/zinc/80/80/71/776808071.db2.gz KAVIAQNLLLLSCC-GFCCVEGCSA-N -1 1 296.322 2.924 20 30 CFEDMM CCOC(=O)[C@H]1CC[C@@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229736399 776882572 /nfs/dbraw/zinc/88/25/72/776882572.db2.gz BGVBEFPUOWMAKV-JHBBZFSESA-N -1 1 291.347 2.995 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@@H]1COc2cnccc21 ZINC001229738946 776883774 /nfs/dbraw/zinc/88/37/74/776883774.db2.gz QGWDDGOLEQIGMO-ZXMBATIKSA-N -1 1 270.288 2.792 20 30 CFEDMM COC(=O)[C@@H]1CCC[C@@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229737423 776883877 /nfs/dbraw/zinc/88/38/77/776883877.db2.gz YJBTVVYHISXAGZ-MDDWGPDPSA-N -1 1 291.347 2.995 20 30 CFEDMM C=C[C@H](Oc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC001230282266 776972730 /nfs/dbraw/zinc/97/27/30/776972730.db2.gz SXYVAZWOAHGFFK-LBPRGKRZSA-N -1 1 258.277 2.502 20 30 CFEDMM C[C@H](CS)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231050414 777124834 /nfs/dbraw/zinc/12/48/34/777124834.db2.gz SNBYNCABPRPLIG-SCSAIBSYSA-N -1 1 278.164 2.962 20 30 CFEDMM C[C@H](CS)Oc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231050414 777124837 /nfs/dbraw/zinc/12/48/37/777124837.db2.gz SNBYNCABPRPLIG-SCSAIBSYSA-N -1 1 278.164 2.962 20 30 CFEDMM C=C[C@@H](C#CC(C)(C)C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231262908 777180249 /nfs/dbraw/zinc/18/02/49/777180249.db2.gz HVRRNKISRPSWFU-NSHDSACASA-N -1 1 290.319 2.987 20 30 CFEDMM N#C[C@H]1CCCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232267723 777499326 /nfs/dbraw/zinc/49/93/26/777499326.db2.gz KVHPTTHWFQILIR-SNVBAGLBSA-N -1 1 266.728 2.629 20 30 CFEDMM CCCCN(CC#N)Cc1cc(Cl)ncc1[O-] ZINC001233039115 777775087 /nfs/dbraw/zinc/77/50/87/777775087.db2.gz MSQAXIRGLCGKLU-UHFFFAOYSA-N -1 1 253.733 2.566 20 30 CFEDMM N#C[C@@H](Oc1[n-]c(=S)ncc1F)c1cccc(F)c1 ZINC001227387303 777830837 /nfs/dbraw/zinc/83/08/37/777830837.db2.gz WFDZJVIRBQETRZ-SNVBAGLBSA-N -1 1 279.271 2.687 20 30 CFEDMM CCCCN(CC#N)Cc1c([O-])ccc(F)c1F ZINC001233335371 777894972 /nfs/dbraw/zinc/89/49/72/777894972.db2.gz RZVTXHYLLWMSGG-UHFFFAOYSA-N -1 1 254.280 2.796 20 30 CFEDMM C#C[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500119 777970228 /nfs/dbraw/zinc/97/02/28/777970228.db2.gz QEEKAURZMQSRFT-ZCFIWIBFSA-N -1 1 265.656 2.525 20 30 CFEDMM Cc1nocc1[N-]C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC001277812474 778097563 /nfs/dbraw/zinc/09/75/63/778097563.db2.gz WKTYGSJKRVXILG-UHFFFAOYSA-N -1 1 296.286 2.799 20 30 CFEDMM C=C[C@@H](CCCC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234606453 778264389 /nfs/dbraw/zinc/26/43/89/778264389.db2.gz CGUHESKPGKJRQS-VIFPVBQESA-N -1 1 283.299 2.837 20 30 CFEDMM C#C[C@@H]1CCC[C@@H]1O/C(=N\[O-])c1cc(F)ccc1F ZINC001223890094 778359954 /nfs/dbraw/zinc/35/99/54/778359954.db2.gz NSTVKMYTLQYZJD-ASSQSESFSA-N -1 1 265.259 2.919 20 30 CFEDMM CC(C)C1(C(=O)N([O-])C(=N)c2ccccc2N)CCC1 ZINC001142652536 778553632 /nfs/dbraw/zinc/55/36/32/778553632.db2.gz NUSHCXQSMXZROE-UHFFFAOYSA-N -1 1 275.352 2.638 20 30 CFEDMM N#Cc1ccc([O-])c(CN2Cc3ccccc3C2)c1 ZINC001232673782 778962071 /nfs/dbraw/zinc/96/20/71/778962071.db2.gz NCPMQBLXDYGPOT-UHFFFAOYSA-N -1 1 250.301 2.780 20 30 CFEDMM C[C@@]1(C#N)CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125231 779020077 /nfs/dbraw/zinc/02/00/77/779020077.db2.gz BBYYFZVRCUCKRI-ZDUSSCGKSA-N -1 1 268.719 2.920 20 30 CFEDMM N#C[C@@H]1C[C@H](F)CN1Cc1c([O-])ccc(F)c1Cl ZINC001237127435 779021963 /nfs/dbraw/zinc/02/19/63/779021963.db2.gz FXCQSGZPKRDPSF-YUMQZZPRSA-N -1 1 272.682 2.621 20 30 CFEDMM Cc1nsc([N-]C(=O)c2nc(Cl)ccc2F)c1C#N ZINC001128319329 780393095 /nfs/dbraw/zinc/39/30/95/780393095.db2.gz GLJPPUBNCSLDFI-UHFFFAOYSA-N -1 1 296.714 2.763 20 30 CFEDMM N#Cc1c2c(cnc1-c1cc([O-])cc(F)c1)CCC2 ZINC001241260926 780740768 /nfs/dbraw/zinc/74/07/68/780740768.db2.gz CLTULXOIHUUMBI-UHFFFAOYSA-N -1 1 254.264 2.954 20 30 CFEDMM COc1cc(C#N)cnc1-c1c(F)ccc([O-])c1F ZINC001241291677 780761895 /nfs/dbraw/zinc/76/18/95/780761895.db2.gz QUKVAYWLKQHDAV-UHFFFAOYSA-N -1 1 262.215 2.613 20 30 CFEDMM N#Cc1c(F)cncc1-c1c(F)ccc([O-])c1F ZINC001241292786 780763354 /nfs/dbraw/zinc/76/33/54/780763354.db2.gz HCQSUCSGJMPZEM-UHFFFAOYSA-N -1 1 250.179 2.743 20 30 CFEDMM N#CCCNCc1cc(Cl)cc(Br)c1[O-] ZINC000708138337 781266572 /nfs/dbraw/zinc/26/65/72/781266572.db2.gz LTTBQUWIFKJPHT-UHFFFAOYSA-N -1 1 289.560 2.811 20 30 CFEDMM CN(C)c1cncc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001242529431 781571196 /nfs/dbraw/zinc/57/11/96/781571196.db2.gz ZCTIMTCHWAPPHT-CAOOACKPSA-N -1 1 259.284 2.762 20 30 CFEDMM CCOC(=O)c1ccc(-c2ccc([O-])c(C#N)c2)nc1C ZINC001242562208 781599566 /nfs/dbraw/zinc/59/95/66/781599566.db2.gz LRQZXZGPIBAOLO-UHFFFAOYSA-N -1 1 282.299 2.811 20 30 CFEDMM N#Cc1cc(-c2cc(C(F)(F)F)ncn2)ccc1[O-] ZINC001242562447 781600364 /nfs/dbraw/zinc/60/03/64/781600364.db2.gz ZBPVCBFPMGRPMC-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM CCOC(=O)c1cnc(-c2ccc([O-])c(C#N)c2)c(OC)c1 ZINC001242563035 781601794 /nfs/dbraw/zinc/60/17/94/781601794.db2.gz QJXNEJKFXGVHRV-UHFFFAOYSA-N -1 1 298.298 2.511 20 30 CFEDMM COc1nnc(-c2ccc([O-])c(C#N)c2)cc1C(F)(F)F ZINC001242563775 781602267 /nfs/dbraw/zinc/60/22/67/781602267.db2.gz LEJWDGQGPJHXIV-UHFFFAOYSA-N -1 1 295.220 2.748 20 30 CFEDMM Cc1ccc2c(ncnc2-c2ccc([O-])c(C#N)c2)n1 ZINC001242563596 781602338 /nfs/dbraw/zinc/60/23/38/781602338.db2.gz IGTGPGVKOGISGM-UHFFFAOYSA-N -1 1 262.272 2.578 20 30 CFEDMM Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1S(C)(=O)=O ZINC001242564483 781603135 /nfs/dbraw/zinc/60/31/35/781603135.db2.gz CHTPGNYAICLIDJ-UHFFFAOYSA-N -1 1 287.340 2.643 20 30 CFEDMM Cn1ccc2cc(-c3ccc([O-])c(C#N)c3)ccc2c1=O ZINC001242564597 781603847 /nfs/dbraw/zinc/60/38/47/781603847.db2.gz IOJTYNYZVHVCMZ-UHFFFAOYSA-N -1 1 276.295 2.783 20 30 CFEDMM Cc1nc2[nH]ccc2nc1-c1ccc([O-])c(C#N)c1 ZINC001242565249 781604824 /nfs/dbraw/zinc/60/48/24/781604824.db2.gz STAJDRJOVVSRRA-UHFFFAOYSA-N -1 1 250.261 2.511 20 30 CFEDMM Cc1nc2ccc(-c3ccc([O-])c(C#N)c3)cc2c(=O)o1 ZINC001242565319 781604840 /nfs/dbraw/zinc/60/48/40/781604840.db2.gz WSIVQWNHZLAZDS-UHFFFAOYSA-N -1 1 278.267 2.741 20 30 CFEDMM N#Cc1cc(-c2cc3[nH]cnc3c(F)c2)ccc1[O-] ZINC001242567155 781606057 /nfs/dbraw/zinc/60/60/57/781606057.db2.gz PSZLRYZCHQNSTL-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM N#Cc1cc(-c2ccc3nc(C(N)=O)ccc3c2)ccc1[O-] ZINC001242566316 781606430 /nfs/dbraw/zinc/60/64/30/781606430.db2.gz SSQSLABGKWSZRG-UHFFFAOYSA-N -1 1 289.294 2.578 20 30 CFEDMM CC1(C)CNC(=O)c2cc(-c3ccc([O-])c(C#N)c3)ccc21 ZINC001242567238 781607562 /nfs/dbraw/zinc/60/75/62/781607562.db2.gz SWXCBWGLLDZFLC-UHFFFAOYSA-N -1 1 292.338 2.952 20 30 CFEDMM C=CCC[C@@H](CC)Oc1nc(C)[n-]c(=O)c1OC ZINC001230027001 781843738 /nfs/dbraw/zinc/84/37/38/781843738.db2.gz UHNQCQMVNAUXTQ-SNVBAGLBSA-N -1 1 252.314 2.623 20 30 CFEDMM N#CCC1(CSc2nc(C(F)(F)F)cc(=O)[n-]2)CC1 ZINC000594889114 349494600 /nfs/dbraw/zinc/49/46/00/349494600.db2.gz XYMRNLOEURCQIZ-UHFFFAOYSA-N -1 1 289.282 2.987 20 30 CFEDMM CC[C@@H](CSC)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596186287 349820785 /nfs/dbraw/zinc/82/07/85/349820785.db2.gz SZJCSWCHGMUCOQ-LURJTMIESA-N -1 1 261.803 2.644 20 30 CFEDMM CC(C)[C@@H]1C[C@H](N=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596185400 349820851 /nfs/dbraw/zinc/82/08/51/349820851.db2.gz QPDDPQVGDQQFQW-SCZZXKLOSA-N -1 1 285.800 2.706 20 30 CFEDMM CCC1(O)CCC(N=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596184520 349820001 /nfs/dbraw/zinc/82/00/01/349820001.db2.gz LOIQFJPSEVBFDL-UHFFFAOYSA-N -1 1 285.800 2.586 20 30 CFEDMM CC(C)(CN=c1[n-]c(C#N)c(Cl)s1)C1(O)CCCC1 ZINC000596262445 349846280 /nfs/dbraw/zinc/84/62/80/349846280.db2.gz VOGCQBRPGKJEKS-UHFFFAOYSA-N -1 1 299.827 2.833 20 30 CFEDMM C[C@]1(CN=c2[n-]c(C#N)c(Cl)s2)CC1(F)F ZINC000596476139 349912266 /nfs/dbraw/zinc/91/22/66/349912266.db2.gz HGJAAINRMUZYMZ-MRVPVSSYSA-N -1 1 263.700 2.547 20 30 CFEDMM C=C(C)COc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000111598245 347755314 /nfs/dbraw/zinc/75/53/14/347755314.db2.gz YVCCIVXEYMJMOM-UHFFFAOYSA-N -1 1 284.315 2.994 20 30 CFEDMM N#CCCCCCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000588304030 348782951 /nfs/dbraw/zinc/78/29/51/348782951.db2.gz PWNUSLGIHFWRDK-UHFFFAOYSA-N -1 1 288.376 2.973 20 30 CFEDMM N#CCCCCCC(=O)Nc1c([O-])cccc1F ZINC000588369229 348787089 /nfs/dbraw/zinc/78/70/89/348787089.db2.gz WQOIJIUUDMBGKQ-UHFFFAOYSA-N -1 1 250.273 2.944 20 30 CFEDMM C[C@@H]1CCC[C@H](CNC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589170130 348815387 /nfs/dbraw/zinc/81/53/87/348815387.db2.gz JPSOTCIWXVCRCH-NEPJUHHUSA-N -1 1 272.348 2.820 20 30 CFEDMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589168170 348815423 /nfs/dbraw/zinc/81/54/23/348815423.db2.gz WDXUODVBBHQPDH-DOMZBBRYSA-N -1 1 272.348 2.962 20 30 CFEDMM Cc1ccc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000589178200 348815923 /nfs/dbraw/zinc/81/59/23/348815923.db2.gz IKQJCTROBGIJED-UHFFFAOYSA-N -1 1 286.356 2.906 20 30 CFEDMM COc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000589174968 348815999 /nfs/dbraw/zinc/81/59/99/348815999.db2.gz HOASAJFERMAEAK-UHFFFAOYSA-N -1 1 282.299 2.833 20 30 CFEDMM CC(C)C[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589174494 348816335 /nfs/dbraw/zinc/81/63/35/348816335.db2.gz ZCDFOTDKZTZZPG-AWEZNQCLSA-N -1 1 272.348 2.915 20 30 CFEDMM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589181230 348816940 /nfs/dbraw/zinc/81/69/40/348816940.db2.gz XSGDKAAKBMABGP-APPDUMDISA-N -1 1 292.338 2.927 20 30 CFEDMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589181242 348817334 /nfs/dbraw/zinc/81/73/34/348817334.db2.gz XSGDKAAKBMABGP-PIGZYNQJSA-N -1 1 292.338 2.927 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2C3CCCC2CCC3)c1 ZINC000589184363 348817361 /nfs/dbraw/zinc/81/73/61/348817361.db2.gz VVCPESWKWACLNP-UHFFFAOYSA-N -1 1 270.332 2.811 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC2CCC(F)(F)CC2)c1 ZINC000589195497 348817663 /nfs/dbraw/zinc/81/76/63/348817663.db2.gz AFPVMQFRPMUAKP-UHFFFAOYSA-N -1 1 280.274 2.572 20 30 CFEDMM COc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000589190172 348817841 /nfs/dbraw/zinc/81/78/41/348817841.db2.gz VGEQGLYHJYOSQW-UHFFFAOYSA-N -1 1 296.326 2.511 20 30 CFEDMM Cc1cscc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589194535 348818157 /nfs/dbraw/zinc/81/81/57/348818157.db2.gz MTEPDIPQAHAXHQ-UHFFFAOYSA-N -1 1 258.302 2.886 20 30 CFEDMM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC12CCC2 ZINC000589197191 348818780 /nfs/dbraw/zinc/81/87/80/348818780.db2.gz GPYAMLHKLPQCCZ-GFCCVEGCSA-N -1 1 284.359 2.916 20 30 CFEDMM CC[C@@H]1CCC[C@H]1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000590771217 348946243 /nfs/dbraw/zinc/94/62/43/348946243.db2.gz VPCJYPYWZIABJI-OLZOCXBDSA-N -1 1 272.348 2.820 20 30 CFEDMM N#Cc1[n-]c(=N[C@@H](CCO)C2CCCCC2)sc1Cl ZINC000590585898 348911274 /nfs/dbraw/zinc/91/12/74/348911274.db2.gz SYQUOHCHXYFKRI-JTQLQIEISA-N -1 1 299.827 2.833 20 30 CFEDMM COc1ccc(-c2noc(=NCC3(C#N)CCCC3)[n-]2)cc1 ZINC000593484227 349280142 /nfs/dbraw/zinc/28/01/42/349280142.db2.gz FAXMIJNXBCIIPY-UHFFFAOYSA-N -1 1 298.346 2.663 20 30 CFEDMM COc1ccc(-c2nc(=NCC3(C#N)CCCC3)o[n-]2)cc1 ZINC000593484227 349280143 /nfs/dbraw/zinc/28/01/43/349280143.db2.gz FAXMIJNXBCIIPY-UHFFFAOYSA-N -1 1 298.346 2.663 20 30 CFEDMM N#CC1(NC(=O)c2ncc3ccccc3c2[O-])CCCCC1 ZINC000597034612 350018734 /nfs/dbraw/zinc/01/87/34/350018734.db2.gz QRYLRWKAJDGBQH-UHFFFAOYSA-N -1 1 295.342 2.897 20 30 CFEDMM C=CCCSCCNC(=O)c1c([O-])cccc1F ZINC000597966698 350163814 /nfs/dbraw/zinc/16/38/14/350163814.db2.gz AHFDRDOPBKQPKW-UHFFFAOYSA-N -1 1 269.341 2.570 20 30 CFEDMM C=CC[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000597995476 350175429 /nfs/dbraw/zinc/17/54/29/350175429.db2.gz RAVYVFQETFZFLT-LBPRGKRZSA-N -1 1 270.332 2.692 20 30 CFEDMM C=CC[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000597995475 350175702 /nfs/dbraw/zinc/17/57/02/350175702.db2.gz RAVYVFQETFZFLT-GFCCVEGCSA-N -1 1 270.332 2.692 20 30 CFEDMM COc1cc(C(=O)N([C@@H](C)C#N)C2CC2)cc(Cl)c1[O-] ZINC000598125267 350201914 /nfs/dbraw/zinc/20/19/14/350201914.db2.gz IFIGHEHIFFIDFN-QMMMGPOBSA-N -1 1 294.738 2.571 20 30 CFEDMM CC(C)CC1(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000598403818 350257720 /nfs/dbraw/zinc/25/77/20/350257720.db2.gz LQXADLXYVHOZLD-UHFFFAOYSA-N -1 1 258.321 2.572 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N(CCC2CC2)CC2CC2)c1 ZINC000598467709 350273157 /nfs/dbraw/zinc/27/31/57/350273157.db2.gz ORHIVPHDUCNJHF-UHFFFAOYSA-N -1 1 284.359 2.916 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2[nH]cc(C)c2c1 ZINC000600658560 350593588 /nfs/dbraw/zinc/59/35/88/350593588.db2.gz LGXDRMAJWWQQKS-LLVKDONJSA-N -1 1 277.349 2.520 20 30 CFEDMM N#Cc1ccc([O-])c(-c2ccc(N3CCCC3)nc2)c1 ZINC000600777816 350609728 /nfs/dbraw/zinc/60/97/28/350609728.db2.gz UFSZDZBNNJNURI-UHFFFAOYSA-N -1 1 265.316 2.926 20 30 CFEDMM N#CC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCC1 ZINC000601040625 350649204 /nfs/dbraw/zinc/64/92/04/350649204.db2.gz XZJPNPXXJDZIGU-UHFFFAOYSA-N -1 1 278.739 2.541 20 30 CFEDMM N#CC1(c2nc(-c3ccc([O-])cc3F)no2)CC2(CC2)C1 ZINC000601373349 350727686 /nfs/dbraw/zinc/72/76/86/350727686.db2.gz RTWZCFYCBYOHJL-UHFFFAOYSA-N -1 1 285.278 2.917 20 30 CFEDMM N#CCc1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000609851124 351523223 /nfs/dbraw/zinc/52/32/23/351523223.db2.gz DEMDWYFDPUJHCE-UHFFFAOYSA-N -1 1 270.263 2.850 20 30 CFEDMM C[C@]1(C#N)CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000612364947 351808137 /nfs/dbraw/zinc/80/81/37/351808137.db2.gz RAWLDGGTLXHVOE-CQSZACIVSA-N -1 1 278.739 2.811 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3sccc3C2)c1 ZINC000614294140 352076328 /nfs/dbraw/zinc/07/63/28/352076328.db2.gz UKKHDYXXTUFHGM-UHFFFAOYSA-N -1 1 284.340 2.524 20 30 CFEDMM Cc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000614296575 352077164 /nfs/dbraw/zinc/07/71/64/352077164.db2.gz IVXNBMOWIHDMDA-UHFFFAOYSA-N -1 1 272.329 2.564 20 30 CFEDMM CCOc1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614296594 352077311 /nfs/dbraw/zinc/07/73/11/352077311.db2.gz KGJWAFABFAMYHE-UHFFFAOYSA-N -1 1 296.326 2.593 20 30 CFEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(F)c1 ZINC000614357742 352084166 /nfs/dbraw/zinc/08/41/66/352084166.db2.gz PVIULNQBELMNQI-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1[O-] ZINC000615478587 352198232 /nfs/dbraw/zinc/19/82/32/352198232.db2.gz ZDGKTYBOCVZEFV-HUUCEWRRSA-N -1 1 284.359 2.962 20 30 CFEDMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000616171680 352295807 /nfs/dbraw/zinc/29/58/07/352295807.db2.gz XAAFJSDMYNLXLU-WOPDTQHZSA-N -1 1 272.348 2.770 20 30 CFEDMM CCc1cc(=O)[n-]c(S[C@H](C#N)Cc2ccccc2)n1 ZINC000618148176 352723112 /nfs/dbraw/zinc/72/31/12/352723112.db2.gz JMTJMGJSTSBLRW-ZDUSSCGKSA-N -1 1 285.372 2.972 20 30 CFEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc([O-])cc1F ZINC000618891616 352906309 /nfs/dbraw/zinc/90/63/09/352906309.db2.gz AZMANLKHOPFNDF-INIZCTEOSA-N -1 1 296.301 2.820 20 30 CFEDMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000619420400 353019745 /nfs/dbraw/zinc/01/97/45/353019745.db2.gz OYCGPKASWPGVFR-QPUJVOFHSA-N -1 1 298.264 2.677 20 30 CFEDMM CC(C)(C)CCCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000619546488 353035135 /nfs/dbraw/zinc/03/51/35/353035135.db2.gz MGASIOFFLHWMRM-UHFFFAOYSA-N -1 1 260.337 2.820 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC2CCC(F)(F)CC2)c1 ZINC000619731156 353061509 /nfs/dbraw/zinc/06/15/09/353061509.db2.gz OKCJZUQGZSEQDP-UHFFFAOYSA-N -1 1 294.301 2.819 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]c(=O)oc3c2)n1 ZINC000619752468 353063656 /nfs/dbraw/zinc/06/36/56/353063656.db2.gz YVBUVAPKDWCRGJ-VIFPVBQESA-N -1 1 299.311 2.788 20 30 CFEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)C(F)(F)F ZINC000619778359 353065971 /nfs/dbraw/zinc/06/59/71/353065971.db2.gz VLCVTSSKOSBWAF-UHFFFAOYSA-N -1 1 286.253 2.582 20 30 CFEDMM C=C(C)CS(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC000621322826 353323231 /nfs/dbraw/zinc/32/32/31/353323231.db2.gz JRHNXYWEYLWRBW-NSHDSACASA-N -1 1 281.368 2.696 20 30 CFEDMM N#Cc1cc2nc(-c3ccc(F)c([O-])c3)ccc2[nH]1 ZINC001243050481 781955493 /nfs/dbraw/zinc/95/54/93/781955493.db2.gz ULHRWPANVVGIHE-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM C=CCCN(C)C(=O)c1cc(Br)ccc1[O-] ZINC000276147639 193225163 /nfs/dbraw/zinc/22/51/63/193225163.db2.gz OILZDJAFTQWGOS-UHFFFAOYSA-N -1 1 284.153 2.803 20 30 CFEDMM C=C(C)[C@@H](CC(=O)Nc1c([O-])cccc1F)OCC ZINC000677404930 541854025 /nfs/dbraw/zinc/85/40/25/541854025.db2.gz JSUQYFSAHYKPHE-GFCCVEGCSA-N -1 1 267.300 2.841 20 30 CFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1F ZINC000016130535 372099666 /nfs/dbraw/zinc/09/96/66/372099666.db2.gz GEXJWPGTXPAILR-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000019472503 372166518 /nfs/dbraw/zinc/16/65/18/372166518.db2.gz ICWVBQHHUJJKEY-UHFFFAOYSA-N -1 1 272.329 2.668 20 30 CFEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(Cl)cc1[O-] ZINC000042448248 372923702 /nfs/dbraw/zinc/92/37/02/372923702.db2.gz TXTDJSIPKUZMIE-VIFPVBQESA-N -1 1 266.728 2.667 20 30 CFEDMM N#Cc1cc(NC(=O)c2cc(-c3ccco3)n[nH]2)ccc1F ZINC000102879695 375698345 /nfs/dbraw/zinc/69/83/45/375698345.db2.gz KJOGCPYBEPEMOR-UHFFFAOYSA-N -1 1 296.261 2.933 20 30 CFEDMM C=C[C@@H](CC(=O)N[C@H](CCC)c1nn[n-]n1)c1ccccc1 ZINC000122724673 376937233 /nfs/dbraw/zinc/93/72/33/376937233.db2.gz VSYQSHIKPCUVAR-GXTWGEPZSA-N -1 1 299.378 2.517 20 30 CFEDMM N#CC(=C([O-])c1c[nH]c(C#N)c1)c1ccc2ccccc2n1 ZINC000679369655 542181766 /nfs/dbraw/zinc/18/17/66/542181766.db2.gz XBLHHTBQYIPXLI-CQSZACIVSA-N -1 1 286.294 2.925 20 30 CFEDMM Cc1nc(C)c(CNC(=O)c2ncc(C)cc2[O-])s1 ZINC000330663523 378594881 /nfs/dbraw/zinc/59/48/81/378594881.db2.gz QDKMBSLCOAQMAF-UHFFFAOYSA-N -1 1 277.349 2.674 20 30 CFEDMM N#Cc1cccc(C2(NC(=O)c3ccc([O-])cc3F)CC2)c1 ZINC000334232336 378957635 /nfs/dbraw/zinc/95/76/35/378957635.db2.gz WABZFVKWGOSIQI-UHFFFAOYSA-N -1 1 296.301 2.822 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2C(F)F)cc1[O-] ZINC000334479567 379372189 /nfs/dbraw/zinc/37/21/89/379372189.db2.gz SIDWSYMBSZDYFF-LLVKDONJSA-N -1 1 280.274 2.524 20 30 CFEDMM CCC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000334608416 379615754 /nfs/dbraw/zinc/61/57/54/379615754.db2.gz SDTGCRYVLNNAHS-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM Cc1ccsc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000335702851 379751409 /nfs/dbraw/zinc/75/14/09/379751409.db2.gz HTFSSXCAAIFGRF-UHFFFAOYSA-N -1 1 272.329 2.564 20 30 CFEDMM Cc1ccccc1CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000335757503 379839191 /nfs/dbraw/zinc/83/91/91/379839191.db2.gz URWDZCAZOWOESM-UHFFFAOYSA-N -1 1 280.327 2.845 20 30 CFEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000335884923 380050603 /nfs/dbraw/zinc/05/06/03/380050603.db2.gz NYBRHFPXEVUBJB-UHFFFAOYSA-N -1 1 286.356 2.862 20 30 CFEDMM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C(C)(C)C1 ZINC000336529708 380419880 /nfs/dbraw/zinc/41/98/80/380419880.db2.gz GPYIWCMSQJMLBN-SNVBAGLBSA-N -1 1 258.321 2.524 20 30 CFEDMM C#CCO[N-]C(=O)C1(Cc2cccs2)CCCCC1 ZINC000291182719 381698765 /nfs/dbraw/zinc/69/87/65/381698765.db2.gz FURQWGLDHBBYLR-UHFFFAOYSA-N -1 1 277.389 2.922 20 30 CFEDMM C=C(CNC(=O)c1csc(=NC2CC2)[n-]1)c1ccccc1 ZINC000360211094 381770603 /nfs/dbraw/zinc/77/06/03/381770603.db2.gz AXRYJRDBNWBBCT-UHFFFAOYSA-N -1 1 299.399 2.583 20 30 CFEDMM N#CCSCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350816362 382018884 /nfs/dbraw/zinc/01/88/84/382018884.db2.gz OVIMTYNBXXNHNU-UHFFFAOYSA-N -1 1 281.724 2.852 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1c(F)cncc1F ZINC000293602310 382192417 /nfs/dbraw/zinc/19/24/17/382192417.db2.gz JJBUIELYONQDJK-ZETCQYMHSA-N -1 1 276.233 2.748 20 30 CFEDMM C[C@H](C1CC1)n1cc([N-]c2nccc(C#N)c2[N+](=O)[O-])cn1 ZINC000302394265 382245365 /nfs/dbraw/zinc/24/53/65/382245365.db2.gz ISWDLFQDFIEISX-SECBINFHSA-N -1 1 298.306 2.773 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2c3ccccc3nn2C)n1 ZINC000357853948 382351913 /nfs/dbraw/zinc/35/19/13/382351913.db2.gz ZBCIEDWVDUFBGP-LLVKDONJSA-N -1 1 296.355 2.828 20 30 CFEDMM CCSCC[C@H](C)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188625273 382445871 /nfs/dbraw/zinc/44/58/71/382445871.db2.gz MNLXGAZFFGCUHL-NSHDSACASA-N -1 1 292.404 2.868 20 30 CFEDMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188786733 382475959 /nfs/dbraw/zinc/47/59/59/382475959.db2.gz HKMLRKHNOGRMRJ-LLVKDONJSA-N -1 1 296.326 2.803 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1ccc(SC)cc1OC ZINC000193267820 382717684 /nfs/dbraw/zinc/71/76/84/382717684.db2.gz SHWGGDAVUZWVPQ-UHFFFAOYSA-N -1 1 287.406 2.735 20 30 CFEDMM COC(=O)c1c[n-]c(S[C@@H](C)c2cccc(C#N)c2)n1 ZINC000193541110 382720887 /nfs/dbraw/zinc/72/08/87/382720887.db2.gz KBSFWASLZNXPLJ-VIFPVBQESA-N -1 1 287.344 2.921 20 30 CFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC(C)(C)C1 ZINC000443137743 382965379 /nfs/dbraw/zinc/96/53/79/382965379.db2.gz TYDVPGMKMZFWBL-NSHDSACASA-N -1 1 272.348 2.772 20 30 CFEDMM COc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)c(C)c1 ZINC000527193091 383462059 /nfs/dbraw/zinc/46/20/59/383462059.db2.gz VOHNNCPUBBURAZ-UHFFFAOYSA-N -1 1 296.326 2.511 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC(C3CCCCC3)C2)cc1[O-] ZINC000569040894 383463728 /nfs/dbraw/zinc/46/37/28/383463728.db2.gz HFZNVTDZEHWGBB-UHFFFAOYSA-N -1 1 284.359 2.916 20 30 CFEDMM CCc1onc(C)c1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC000340435964 383418603 /nfs/dbraw/zinc/41/86/03/383418603.db2.gz HZWDWFWFKGXELA-UHFFFAOYSA-N -1 1 290.710 2.718 20 30 CFEDMM COc1ccc(C#N)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000436546798 383834137 /nfs/dbraw/zinc/83/41/37/383834137.db2.gz VZHRYVDATJVLLH-UHFFFAOYSA-N -1 1 282.299 2.833 20 30 CFEDMM C=C(C)CN(CC)C(=O)c1c(F)ccc([O-])c1F ZINC000281057287 195086595 /nfs/dbraw/zinc/08/65/95/195086595.db2.gz YEYCMQADJJJMCD-UHFFFAOYSA-N -1 1 255.264 2.709 20 30 CFEDMM C=CCN(CCc1ccco1)C(=O)c1cc(F)ccc1[O-] ZINC000436978507 383899564 /nfs/dbraw/zinc/89/95/64/383899564.db2.gz HFPFVWIALYCSPV-UHFFFAOYSA-N -1 1 289.306 2.995 20 30 CFEDMM C=C(C)C[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000282837175 385397990 /nfs/dbraw/zinc/39/79/90/385397990.db2.gz RCJZGJVSSKCTKV-SNVBAGLBSA-N -1 1 277.320 2.720 20 30 CFEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000353135416 262271650 /nfs/dbraw/zinc/27/16/50/262271650.db2.gz WNGVUXLMBUWMNZ-JTQLQIEISA-N -1 1 275.320 2.598 20 30 CFEDMM CN(Cc1cccc(C#N)c1)C(=O)c1ccc([O-])cc1F ZINC000181113341 393490281 /nfs/dbraw/zinc/49/02/81/393490281.db2.gz USVKXOCCCHDDJU-UHFFFAOYSA-N -1 1 284.290 2.675 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000305987291 393504260 /nfs/dbraw/zinc/50/42/60/393504260.db2.gz IRWIZPCOPCARDR-VIFPVBQESA-N -1 1 272.757 2.692 20 30 CFEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1sccc1F ZINC000338978261 393807655 /nfs/dbraw/zinc/80/76/55/393807655.db2.gz OZFHOONSOUUWLC-MRVPVSSYSA-N -1 1 263.359 2.520 20 30 CFEDMM N#CC1(CNC(=O)c2cc3ccccc3cc2[O-])CCC1 ZINC000416359157 393911049 /nfs/dbraw/zinc/91/10/49/393911049.db2.gz NZQWUPIAUMKYQP-UHFFFAOYSA-N -1 1 280.327 2.969 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(O)c(F)c1 ZINC000120973012 393945014 /nfs/dbraw/zinc/94/50/14/393945014.db2.gz AYVARELTYQKJRV-NSIKDUERSA-N -1 1 272.231 2.853 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccn(C)c2C)n1 ZINC000194871434 543095478 /nfs/dbraw/zinc/09/54/78/543095478.db2.gz IIDVDJBRFJHXKG-LLVKDONJSA-N -1 1 259.334 2.589 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccn(C)c2C)n1 ZINC000194871424 543095934 /nfs/dbraw/zinc/09/59/34/543095934.db2.gz IIDVDJBRFJHXKG-NSHDSACASA-N -1 1 259.334 2.589 20 30 CFEDMM C#C[C@H](C)N(C)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000491375475 397580632 /nfs/dbraw/zinc/58/06/32/397580632.db2.gz WICJAMIBMUUUNR-VIFPVBQESA-N -1 1 281.739 2.538 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CC3CCC2CC3)cc1[O-] ZINC000351683691 163173074 /nfs/dbraw/zinc/17/30/74/163173074.db2.gz OUOLKJHSWKOESU-QIMFLAQGSA-N -1 1 270.332 2.572 20 30 CFEDMM C=C(C)CN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000652483818 413980139 /nfs/dbraw/zinc/98/01/39/413980139.db2.gz URFWKCLQTHFAAM-UHFFFAOYSA-N -1 1 269.291 2.818 20 30 CFEDMM N#CCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000054138313 175554560 /nfs/dbraw/zinc/55/45/60/175554560.db2.gz PJRCYSSYQGUWPW-UHFFFAOYSA-N -1 1 299.204 2.637 20 30 CFEDMM CCN(CCC#N)C(=O)c1ccc(Br)cc1[O-] ZINC000044483927 260190191 /nfs/dbraw/zinc/19/01/91/260190191.db2.gz ABMHXRCOXUVKQZ-UHFFFAOYSA-N -1 1 297.152 2.530 20 30 CFEDMM C=C(C)CNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000154352578 260742438 /nfs/dbraw/zinc/74/24/38/260742438.db2.gz FNQXAZHRBCYELS-UHFFFAOYSA-N -1 1 269.728 2.750 20 30 CFEDMM C#C[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(Cl)cc1 ZINC000491181826 261363995 /nfs/dbraw/zinc/36/39/95/261363995.db2.gz WDWUUUFUBCLPOX-SNVBAGLBSA-N -1 1 257.667 2.786 20 30 CFEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2c([O-])cccc2F)C1 ZINC000186580751 262100734 /nfs/dbraw/zinc/10/07/34/262100734.db2.gz HDMCLQJTGOOKEI-BONVTDFDSA-N -1 1 276.311 2.734 20 30 CFEDMM CC[C@@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188207660 262284823 /nfs/dbraw/zinc/28/48/23/262284823.db2.gz ZWQOZGFRXRHFFP-CYBMUJFWSA-N -1 1 258.321 2.669 20 30 CFEDMM Cc1ccccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188224419 262285351 /nfs/dbraw/zinc/28/53/51/262285351.db2.gz ILFDEKYCTHUSQJ-UHFFFAOYSA-N -1 1 266.300 2.502 20 30 CFEDMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@]12CCOC2 ZINC000329741314 262375519 /nfs/dbraw/zinc/37/55/19/262375519.db2.gz ONFGUILICWMMAL-TVQRCGJNSA-N -1 1 251.257 2.546 20 30 CFEDMM CC(C)(C#N)CCCCS(=O)(=O)c1ccc([O-])cc1 ZINC000278253353 263045940 /nfs/dbraw/zinc/04/59/40/263045940.db2.gz MPIPXWKBTYZGRQ-UHFFFAOYSA-N -1 1 281.377 2.886 20 30 CFEDMM CCCCCCCC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000279155158 263053303 /nfs/dbraw/zinc/05/33/03/263053303.db2.gz DEAMYQNAGMJIDP-AQTBWJFISA-N -1 1 274.368 2.641 20 30 CFEDMM N#C[C@]1(C(=O)Nc2nc(Cl)ccc2[O-])CC12CCCC2 ZINC000295541593 263179154 /nfs/dbraw/zinc/17/91/54/263179154.db2.gz WGIBGFSNKKLRON-AWEZNQCLSA-N -1 1 291.738 2.853 20 30 CFEDMM N#C[C@@]1(C(=O)Nc2nc(Cl)ccc2[O-])CC12CCCC2 ZINC000295541604 263179187 /nfs/dbraw/zinc/17/91/87/263179187.db2.gz WGIBGFSNKKLRON-CQSZACIVSA-N -1 1 291.738 2.853 20 30 CFEDMM Cc1cc(C(=O)[O-])cc(-c2cc3[nH]cnc3c(C#N)n2)c1 ZINC001243176407 782037756 /nfs/dbraw/zinc/03/77/56/782037756.db2.gz ALQFRGMFAJDTHT-UHFFFAOYSA-N -1 1 278.271 2.503 20 30 CFEDMM CC#CCCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000330739378 264038292 /nfs/dbraw/zinc/03/82/92/264038292.db2.gz PUIMAIULYGGTHO-UHFFFAOYSA-N -1 1 275.352 2.506 20 30 CFEDMM Cc1cnc(C(=O)NCCOC2CCCCC2)c([O-])c1 ZINC000331164533 264144293 /nfs/dbraw/zinc/14/42/93/264144293.db2.gz SJQKJLDPRAMOSF-UHFFFAOYSA-N -1 1 278.352 2.750 20 30 CFEDMM Cc1cnc(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c([O-])c1 ZINC000331212034 264163226 /nfs/dbraw/zinc/16/32/26/264163226.db2.gz RYGCGELEICGYON-OLZOCXBDSA-N -1 1 292.379 2.994 20 30 CFEDMM COc1cc(C(=O)N[C@@H]2CCO[C@H](C)C2)cc(Cl)c1[O-] ZINC000331267435 264168182 /nfs/dbraw/zinc/16/81/82/264168182.db2.gz IMKAUECLDIEAQZ-PSASIEDQSA-N -1 1 299.754 2.926 20 30 CFEDMM CC(C)[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CCO1 ZINC000331288806 264196309 /nfs/dbraw/zinc/19/63/09/264196309.db2.gz ZWLSNFLDLRYDQJ-HIFRSBDPSA-N -1 1 288.347 2.772 20 30 CFEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(F)ccc2[O-])C1 ZINC000094153538 265220670 /nfs/dbraw/zinc/22/06/70/265220670.db2.gz WKSJSPNSLCUCHG-MEBBXXQBSA-N -1 1 276.311 2.734 20 30 CFEDMM CCOc1ccc(C#N)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000194275111 266335808 /nfs/dbraw/zinc/33/58/08/266335808.db2.gz OXOAIAUMGLUVDB-UHFFFAOYSA-N -1 1 298.298 2.620 20 30 CFEDMM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(C#N)cc1OC ZINC000519761470 267032469 /nfs/dbraw/zinc/03/24/69/267032469.db2.gz STVYRDCWGJDUKR-GFCCVEGCSA-N -1 1 296.392 2.887 20 30 CFEDMM N#CC1(CNCc2cccc([O-])c2Cl)CCC1 ZINC000418141847 267363602 /nfs/dbraw/zinc/36/36/02/267363602.db2.gz MCWDKQAIKHWVJN-UHFFFAOYSA-N -1 1 250.729 2.829 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1[O-] ZINC000329658737 279510094 /nfs/dbraw/zinc/51/00/94/279510094.db2.gz NLXCFTFSDJSZEX-HNNXBMFYSA-N -1 1 282.343 2.669 20 30 CFEDMM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)C1 ZINC000336405484 279751869 /nfs/dbraw/zinc/75/18/69/279751869.db2.gz CZWVSTOTIGRZAN-YVEFUNNKSA-N -1 1 284.359 2.916 20 30 CFEDMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(C#N)cc1 ZINC000125587957 280644500 /nfs/dbraw/zinc/64/45/00/280644500.db2.gz HMKIEUUOWFCGHR-JTQLQIEISA-N -1 1 284.290 2.894 20 30 CFEDMM CCC[C@H]1SCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188507759 280862341 /nfs/dbraw/zinc/86/23/41/280862341.db2.gz OTRHYBIMTCSYOB-CYBMUJFWSA-N -1 1 276.361 2.579 20 30 CFEDMM CC(=O)c1cccc(NC(=O)c2sccc2C#N)c1[O-] ZINC000556892541 281952300 /nfs/dbraw/zinc/95/23/00/281952300.db2.gz LWIXGOSBYLATAN-UHFFFAOYSA-N -1 1 286.312 2.780 20 30 CFEDMM N#CCc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000149015978 327032160 /nfs/dbraw/zinc/03/21/60/327032160.db2.gz LRXAYQWAFVEXGM-UHFFFAOYSA-N -1 1 270.263 2.850 20 30 CFEDMM C=CCN(CC=C)C(=O)c1cc(Br)ccc1[O-] ZINC000193986037 329064684 /nfs/dbraw/zinc/06/46/84/329064684.db2.gz KASSHTYTIFMEOH-UHFFFAOYSA-N -1 1 296.164 2.969 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000437524129 330702155 /nfs/dbraw/zinc/70/21/55/330702155.db2.gz JNMKVASKHFPYEK-YGRLFVJLSA-N -1 1 295.766 2.757 20 30 CFEDMM C=CCCO[C@@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456792200 331204187 /nfs/dbraw/zinc/20/41/87/331204187.db2.gz HMIAFMRHQAJHOC-QMMMGPOBSA-N -1 1 271.263 2.590 20 30 CFEDMM CCc1ccc([C@@H](C#N)NC(=O)c2ncc(C)cc2[O-])cc1 ZINC000489968315 332074969 /nfs/dbraw/zinc/07/49/69/332074969.db2.gz VCWBQQHXEUTPFS-CQSZACIVSA-N -1 1 295.342 2.653 20 30 CFEDMM COC(=O)c1cc(C#N)cc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342274 782147413 /nfs/dbraw/zinc/14/74/13/782147413.db2.gz DDLYGRGJHAAILS-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM CC(C)[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336487651 519825168 /nfs/dbraw/zinc/82/51/68/519825168.db2.gz XMTJXBWVDQYIKW-CYBMUJFWSA-N -1 1 258.321 2.524 20 30 CFEDMM C[C@H]1CC[C@]2(CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)C1 ZINC000336405482 524427694 /nfs/dbraw/zinc/42/76/94/524427694.db2.gz CZWVSTOTIGRZAN-SJCJKPOMSA-N -1 1 284.359 2.916 20 30 CFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1F ZINC000048653231 525612413 /nfs/dbraw/zinc/61/24/13/525612413.db2.gz MSTLADVTRMQWPV-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM C=CCCCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000344474561 527228375 /nfs/dbraw/zinc/22/83/75/527228375.db2.gz HGGXHIILLQIXMP-UHFFFAOYSA-N -1 1 269.728 2.750 20 30 CFEDMM CCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C1CCCC1 ZINC000416565964 528232960 /nfs/dbraw/zinc/23/29/60/528232960.db2.gz FWDUFTPULMQNOD-ZDUSSCGKSA-N -1 1 296.392 2.788 20 30 CFEDMM CCc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)s1 ZINC000731155670 574111373 /nfs/dbraw/zinc/11/13/73/574111373.db2.gz OLSLELRINNDOJQ-UZYOAWRESA-N -1 1 290.340 2.539 20 30 CFEDMM Cc1cc(N=NCc2ccc([O-])c(Cl)c2)ncn1 ZINC000731934723 574135106 /nfs/dbraw/zinc/13/51/06/574135106.db2.gz GFUCWZMXLJXISP-UHFFFAOYSA-N -1 1 262.700 2.590 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cccn2CCC(C)C)n1 ZINC000755464152 574163863 /nfs/dbraw/zinc/16/38/63/574163863.db2.gz RFFGNCTZTZXJIR-UHFFFAOYSA-N -1 1 287.367 2.784 20 30 CFEDMM Cc1cc[nH+]c([N-]N=Cc2cc(C(=O)[O-])cs2)c1 ZINC000755769164 574185587 /nfs/dbraw/zinc/18/55/87/574185587.db2.gz BOKBWPCYJCRYPZ-UHFFFAOYSA-N -1 1 261.306 2.596 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1sccc1C ZINC000733743220 574254790 /nfs/dbraw/zinc/25/47/90/574254790.db2.gz KRCDVYFIJDSREJ-UHFFFAOYSA-N -1 1 262.338 2.697 20 30 CFEDMM CCc1ccc(CN=Nc2ccc(C(=O)[O-])cc2OC)o1 ZINC000756900808 574271314 /nfs/dbraw/zinc/27/13/14/574271314.db2.gz CFBRWCHIXALEMO-UHFFFAOYSA-N -1 1 288.303 2.995 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1cccc(O)c1 ZINC000756901748 574272238 /nfs/dbraw/zinc/27/22/38/574272238.db2.gz ZPHIWUIGTQHBTG-UHFFFAOYSA-N -1 1 286.287 2.545 20 30 CFEDMM O=C([O-])c1ccc(C=NNc2nc3ccccc3s2)[nH]1 ZINC000749808171 574310225 /nfs/dbraw/zinc/31/02/25/574310225.db2.gz VIQXDVZBEMRDEN-UHFFFAOYSA-N -1 1 286.316 2.769 20 30 CFEDMM C[C@H](NC(=S)NN=Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000751529413 574378449 /nfs/dbraw/zinc/37/84/49/574378449.db2.gz ADLXYJPJYMTXRZ-QMMMGPOBSA-N -1 1 297.811 2.642 20 30 CFEDMM C[C@]1(C#N)CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000753164980 574399710 /nfs/dbraw/zinc/39/97/10/574399710.db2.gz UHTHQLPWPWXNQD-CQSZACIVSA-N -1 1 278.739 2.811 20 30 CFEDMM Cc1csc(C(C#N)C(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000821147035 598148477 /nfs/dbraw/zinc/14/84/77/598148477.db2.gz SSHKNVMCNMUJGS-LLVKDONJSA-N -1 1 286.312 2.640 20 30 CFEDMM Cc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])c(O)c1 ZINC000832911007 601825957 /nfs/dbraw/zinc/82/59/57/601825957.db2.gz HVYSUCXSAAHUKN-HWKANZROSA-N -1 1 272.256 2.888 20 30 CFEDMM CN(Cc1ccc(C(=O)[O-])s1)Cc1cccc(C#N)c1 ZINC000109602249 601940144 /nfs/dbraw/zinc/94/01/44/601940144.db2.gz ZEYIGWNRRJAOTH-UHFFFAOYSA-N -1 1 286.356 2.950 20 30 CFEDMM C=C(Cl)CNCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000825647886 602023159 /nfs/dbraw/zinc/02/31/59/602023159.db2.gz WOZNPGPMLIVKLS-UHFFFAOYSA-N -1 1 283.755 2.609 20 30 CFEDMM C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000738947322 602096598 /nfs/dbraw/zinc/09/65/98/602096598.db2.gz VXPOMBJKBXUQKO-PPFPWSOCSA-N -1 1 262.092 2.591 20 30 CFEDMM C#CCN(Cc1cccc(C(=O)[O-])c1C#N)C1CCCC1 ZINC000833364328 604611810 /nfs/dbraw/zinc/61/18/10/604611810.db2.gz JRUFNNAWKGPVJN-UHFFFAOYSA-N -1 1 282.343 2.634 20 30 CFEDMM CC(C)(C(=O)[O-])[C@H](NCC1(C#N)CC1)c1ccccc1 ZINC000833414404 605076355 /nfs/dbraw/zinc/07/63/55/605076355.db2.gz RHLHKJCJQDWXJX-CYBMUJFWSA-N -1 1 272.348 2.732 20 30 CFEDMM C#CC[C@H](NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000833360781 605134359 /nfs/dbraw/zinc/13/43/59/605134359.db2.gz OHOVMLONOMZAGR-AWEZNQCLSA-N -1 1 269.300 2.832 20 30 CFEDMM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1nccn1C ZINC000833386443 605155995 /nfs/dbraw/zinc/15/59/95/605155995.db2.gz FAIXKMOBGRCKCE-UHFFFAOYSA-N -1 1 292.726 2.608 20 30 CFEDMM Fc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822783040 606367913 /nfs/dbraw/zinc/36/79/13/606367913.db2.gz RRXGIWARMSTUOG-UHFFFAOYSA-N -1 1 288.311 2.513 20 30 CFEDMM C#CCCCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000819693771 606947335 /nfs/dbraw/zinc/94/73/35/606947335.db2.gz WKFBPNVHIOTDFY-UHFFFAOYSA-N -1 1 292.346 2.630 20 30 CFEDMM C#CCCCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000819693771 606947336 /nfs/dbraw/zinc/94/73/36/606947336.db2.gz WKFBPNVHIOTDFY-UHFFFAOYSA-N -1 1 292.346 2.630 20 30 CFEDMM CC[C@@H](C)CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000825059685 607887304 /nfs/dbraw/zinc/88/73/04/607887304.db2.gz IRHGMMMBBVJLQP-MRVPVSSYSA-N -1 1 291.359 2.596 20 30 CFEDMM O=C(C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400988 608093014 /nfs/dbraw/zinc/09/30/14/608093014.db2.gz MRZITJOGUNHMQU-SREVYHEPSA-N -1 1 282.328 2.824 20 30 CFEDMM O=C(C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400988 608093015 /nfs/dbraw/zinc/09/30/15/608093015.db2.gz MRZITJOGUNHMQU-SREVYHEPSA-N -1 1 282.328 2.824 20 30 CFEDMM Cc1c(C#N)cccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000826234406 609489316 /nfs/dbraw/zinc/48/93/16/609489316.db2.gz VAMLATBYDBKMIC-UHFFFAOYSA-N -1 1 296.359 2.720 20 30 CFEDMM C#CCN(Cc1ccccc1)C(=O)c1ccc([O-])c(F)c1 ZINC000804834847 617906203 /nfs/dbraw/zinc/90/62/03/617906203.db2.gz QSYQLYNSIQIXTF-UHFFFAOYSA-N -1 1 283.302 2.807 20 30 CFEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000160159124 617604884 /nfs/dbraw/zinc/60/48/84/617604884.db2.gz ZDUYVAWUORETAG-NSHDSACASA-N -1 1 299.355 2.667 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccoc2)C2CC2)c1 ZINC000889093121 617670856 /nfs/dbraw/zinc/67/08/56/617670856.db2.gz BMGWXZFUZKYMKU-UHFFFAOYSA-N -1 1 282.299 2.662 20 30 CFEDMM C#C[C@H](CC)NC(=O)c1cc2ccccc2cc1[O-] ZINC000234041767 617824388 /nfs/dbraw/zinc/82/43/88/617824388.db2.gz XJBMPCJQOBMDRN-CYBMUJFWSA-N -1 1 253.301 2.687 20 30 CFEDMM C[C@@H]1CCCCN1N=Cc1ncc(Br)cc1[O-] ZINC000901261487 620777810 /nfs/dbraw/zinc/77/78/10/620777810.db2.gz JYAOALOAPLXLGL-SECBINFHSA-N -1 1 298.184 2.758 20 30 CFEDMM Cc1ccc([N+](=O)[O-])cc1N=Cc1ccc(O)c([O-])c1O ZINC000255306170 618184679 /nfs/dbraw/zinc/18/46/79/618184679.db2.gz JWYGNCYEFQSUKH-UHFFFAOYSA-N -1 1 288.259 2.771 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NNC1C[C@@H](C)O[C@H](C)C1 ZINC000901298127 620785353 /nfs/dbraw/zinc/78/53/53/620785353.db2.gz BGSLPXMWTZBXRR-GHMZBOCLSA-N -1 1 280.343 2.719 20 30 CFEDMM CC(N=Nc1ncncc1F)c1ccc([O-])c(Cl)c1 ZINC000793218299 618250672 /nfs/dbraw/zinc/25/06/72/618250672.db2.gz SGHMMCHSOHPARU-UHFFFAOYSA-N -1 1 280.690 2.811 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cccc2nccn21 ZINC000187220875 618274719 /nfs/dbraw/zinc/27/47/19/618274719.db2.gz KWHVTXMGYOEEQW-FMIVXFBMSA-N -1 1 276.295 2.862 20 30 CFEDMM CC[C@@H](C)[C@@H](OC)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372579 620795260 /nfs/dbraw/zinc/79/52/60/620795260.db2.gz HYCPAKIIXJFXMV-ZWNOBZJWSA-N -1 1 269.316 2.605 20 30 CFEDMM CC[C@H](C)[C@@H](OC)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372577 620795287 /nfs/dbraw/zinc/79/52/87/620795287.db2.gz HYCPAKIIXJFXMV-GXFFZTMASA-N -1 1 269.316 2.605 20 30 CFEDMM CC(C)CCO[C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374225 620798040 /nfs/dbraw/zinc/79/80/40/620798040.db2.gz HDIBPZDTMIGTTB-GFCCVEGCSA-N -1 1 283.343 2.995 20 30 CFEDMM CCCCO[C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374973 620798801 /nfs/dbraw/zinc/79/88/01/620798801.db2.gz YUEPEWDWCFJSLX-LLVKDONJSA-N -1 1 269.316 2.749 20 30 CFEDMM C[C@H](O)CN(C)N=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000841654930 618438000 /nfs/dbraw/zinc/43/80/00/618438000.db2.gz ZAAYQQUDUHPKMV-JTQLQIEISA-N -1 1 292.766 2.845 20 30 CFEDMM C#C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])C(C)C ZINC000312157088 618889558 /nfs/dbraw/zinc/88/95/58/618889558.db2.gz IOLAGWVVWCROAZ-OAHLLOKOSA-N -1 1 267.328 2.933 20 30 CFEDMM N#CCCCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896166850 619687629 /nfs/dbraw/zinc/68/76/29/619687629.db2.gz ZIZRYSFTESSRDA-UHFFFAOYSA-N -1 1 284.315 2.675 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C/c2cncnc2)c([O-])c1 ZINC000799896616 620130367 /nfs/dbraw/zinc/13/03/67/620130367.db2.gz XASJUXJSYSOFJS-ONEGZZNKSA-N -1 1 254.289 2.695 20 30 CFEDMM C#CCCc1cc(=O)n(-c2ccc(C(=O)OCC)c(C)c2)[n-]1 ZINC000899356892 620548675 /nfs/dbraw/zinc/54/86/75/620548675.db2.gz WILDLLVMAQQOLF-UHFFFAOYSA-N -1 1 298.342 2.678 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2cn(C)nc2C2CC2)c1 ZINC000899364108 620551031 /nfs/dbraw/zinc/55/10/31/620551031.db2.gz XPTWDYHQNRYSJW-ALCCZGGFSA-N -1 1 298.342 2.908 20 30 CFEDMM CCn1cc(/C=C\C(=O)c2cc(OC)ccc2[O-])c(C)n1 ZINC000899363974 620551201 /nfs/dbraw/zinc/55/12/01/620551201.db2.gz WQZZWLBBIVHNAI-ALCCZGGFSA-N -1 1 286.331 2.822 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2cn(C)nc2C2CC2)c1 ZINC000899364109 620551223 /nfs/dbraw/zinc/55/12/23/620551223.db2.gz XPTWDYHQNRYSJW-FNORWQNLSA-N -1 1 298.342 2.908 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1cc(C#N)cc(C)n1 ZINC000903141101 621266820 /nfs/dbraw/zinc/26/68/20/621266820.db2.gz LOSPUHRUYVFWCH-UHFFFAOYSA-N -1 1 295.408 2.974 20 30 CFEDMM C=C(CC)CN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903958879 621479639 /nfs/dbraw/zinc/47/96/39/621479639.db2.gz PZZAMDQBSXFDJE-UHFFFAOYSA-N -1 1 261.321 2.545 20 30 CFEDMM O=C(N([O-])Cc1ccccc1Cl)C1(F)CCOCC1 ZINC000904192550 621546736 /nfs/dbraw/zinc/54/67/36/621546736.db2.gz QAKXAIRPLYSIHO-UHFFFAOYSA-N -1 1 287.718 2.577 20 30 CFEDMM CCCCN(O)C(=O)c1cc(SC)ccc1[O-] ZINC000904215030 621551052 /nfs/dbraw/zinc/55/10/52/621551052.db2.gz XTSWAWCNPDAEPH-UHFFFAOYSA-N -1 1 255.339 2.746 20 30 CFEDMM C=CCO[N-]C(=O)Cc1sc(C)cc1Br ZINC000909282695 622338821 /nfs/dbraw/zinc/33/88/21/622338821.db2.gz KMGCMHBTDLTWJS-UHFFFAOYSA-N -1 1 290.182 2.595 20 30 CFEDMM C#CCCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909986009 622379922 /nfs/dbraw/zinc/37/99/22/622379922.db2.gz WLRMJRTYEMCWBT-UHFFFAOYSA-N -1 1 253.248 2.803 20 30 CFEDMM COC(=O)c1occc1/C=C/C(=O)c1ccc([O-])cc1 ZINC000028621269 622528929 /nfs/dbraw/zinc/52/89/29/622528929.db2.gz DTGGGIQRQZVXOD-QPJJXVBHSA-N -1 1 272.256 2.668 20 30 CFEDMM N#Cc1cccc(COC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000913299831 622870909 /nfs/dbraw/zinc/87/09/09/622870909.db2.gz QZZJVYHZXBOTBY-UHFFFAOYSA-N -1 1 293.282 2.898 20 30 CFEDMM C=C(Cl)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000227655907 623116188 /nfs/dbraw/zinc/11/61/88/623116188.db2.gz XUNRZVNLIGDWIJ-UHFFFAOYSA-N -1 1 284.139 2.510 20 30 CFEDMM C[C@@H](CC#N)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824713281 623550270 /nfs/dbraw/zinc/55/02/70/623550270.db2.gz DWXPHKNJSJCBHE-VIFPVBQESA-N -1 1 283.169 2.889 20 30 CFEDMM CC1(C)OCC[C@H]1NN=Cc1cccc([O-])c1Cl ZINC000835021076 623935423 /nfs/dbraw/zinc/93/54/23/623935423.db2.gz MNVXPJWCEQLONW-LLVKDONJSA-N -1 1 268.744 2.537 20 30 CFEDMM CC(C)(C)C#CC(=O)Nc1nc(Br)ccc1[O-] ZINC000837572764 624107382 /nfs/dbraw/zinc/10/73/82/624107382.db2.gz AAFPNQBXQMJDTB-UHFFFAOYSA-N -1 1 297.152 2.538 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(OC(C)C)cc2)n1 ZINC000915932503 624189488 /nfs/dbraw/zinc/18/94/88/624189488.db2.gz UGDTYCVAARTCCT-UHFFFAOYSA-N -1 1 286.335 2.724 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(F)ccc1F ZINC000916241487 624230158 /nfs/dbraw/zinc/23/01/58/624230158.db2.gz FGGXMRGIXXQORU-UHFFFAOYSA-N -1 1 278.262 2.605 20 30 CFEDMM Cc1ccc(C=NNc2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000916241786 624230822 /nfs/dbraw/zinc/23/08/22/624230822.db2.gz UKQOYNNRGWEAQB-UHFFFAOYSA-N -1 1 256.309 2.553 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCSc3ccccc32)n1 ZINC000916242671 624231856 /nfs/dbraw/zinc/23/18/56/624231856.db2.gz WUZRDIWXFCFARS-UHFFFAOYSA-N -1 1 286.360 2.803 20 30 CFEDMM O=C(/C=C/c1cccc2nccn21)c1cc(O)ccc1[O-] ZINC000180315496 625013124 /nfs/dbraw/zinc/01/31/24/625013124.db2.gz ZHFYRZQKQQWVRM-GQCTYLIASA-N -1 1 280.283 2.642 20 30 CFEDMM C#CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000070119083 625270269 /nfs/dbraw/zinc/27/02/69/625270269.db2.gz XSQUBKGHNARZRQ-UHFFFAOYSA-N -1 1 298.216 2.745 20 30 CFEDMM N#CCCCCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823389 625882392 /nfs/dbraw/zinc/88/23/92/625882392.db2.gz WZCORXISSNVKGG-UHFFFAOYSA-N -1 1 266.728 2.746 20 30 CFEDMM CC(=NNc1cc(C)ncn1)c1cc(F)cc(F)c1[O-] ZINC000757464963 626552754 /nfs/dbraw/zinc/55/27/54/626552754.db2.gz IRYYQTADEOKNHN-UHFFFAOYSA-N -1 1 278.262 2.605 20 30 CFEDMM N#Cc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000757472557 626553019 /nfs/dbraw/zinc/55/30/19/626553019.db2.gz KJDHYZVSNWNHOJ-FNORWQNLSA-N -1 1 293.278 2.858 20 30 CFEDMM N#CC(=C([O-])C=Cc1cccc(F)c1)c1ccncn1 ZINC000760356543 626739371 /nfs/dbraw/zinc/73/93/71/626739371.db2.gz IFMNBTIQFNBPBV-IHVVCDCBSA-N -1 1 267.263 2.505 20 30 CFEDMM O=C([O-])c1ccc(N=NCc2cc(F)ccc2F)nc1 ZINC000763368905 626983196 /nfs/dbraw/zinc/98/31/96/626983196.db2.gz PYZLOBLMRIWOEE-UHFFFAOYSA-N -1 1 277.230 2.504 20 30 CFEDMM CC(=NNc1cc(C)nc(C)n1)c1cccc(C(=O)[O-])c1 ZINC000764682549 627083493 /nfs/dbraw/zinc/08/34/93/627083493.db2.gz NMNJACOZJLTZFD-UHFFFAOYSA-N -1 1 284.319 2.628 20 30 CFEDMM CC(=NOCC(F)(F)F)c1ccc([O-])c(F)c1 ZINC000764845364 627101177 /nfs/dbraw/zinc/10/11/77/627101177.db2.gz VTUJUXMELKADNE-UHFFFAOYSA-N -1 1 251.179 2.834 20 30 CFEDMM Cc1nc(C#N)c(N=NCc2cc(Cl)cc(F)c2[O-])o1 ZINC000768359712 627336442 /nfs/dbraw/zinc/33/64/42/627336442.db2.gz GSRSTLQGRMWKHT-UHFFFAOYSA-N -1 1 294.673 2.799 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[nH]1)c1ccc([O-])c(Cl)c1 ZINC000768763857 627369231 /nfs/dbraw/zinc/36/92/31/627369231.db2.gz NEJRUISCNAQFNP-UHFFFAOYSA-N -1 1 292.726 2.686 20 30 CFEDMM CC(=NNC[C@@H](C)C#N)c1ccc([O-])c(Cl)c1 ZINC000768784052 627373107 /nfs/dbraw/zinc/37/31/07/627373107.db2.gz LALSGGDEACQKID-QMMMGPOBSA-N -1 1 251.717 2.519 20 30 CFEDMM C=CCN(CC=C)C(=O)c1c([O-])cccc1Cl ZINC000769589661 627458442 /nfs/dbraw/zinc/45/84/42/627458442.db2.gz OLLITIFNEYSOKD-UHFFFAOYSA-N -1 1 251.713 2.860 20 30 CFEDMM N#CCCN(CC1CC1)C(=O)c1c([O-])cccc1Cl ZINC000769763557 627472795 /nfs/dbraw/zinc/47/27/95/627472795.db2.gz XJPLQRGQWNZMHW-UHFFFAOYSA-N -1 1 278.739 2.811 20 30 CFEDMM C[C@H](C#N)CN(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000770112067 627502292 /nfs/dbraw/zinc/50/22/92/627502292.db2.gz SIDRNQIHABDXFX-SECBINFHSA-N -1 1 278.739 2.810 20 30 CFEDMM N#CC1(NC(=O)c2c([O-])cccc2Cl)CCSCC1 ZINC000770114556 627502978 /nfs/dbraw/zinc/50/29/78/627502978.db2.gz DKFRKJPYYBHJEW-UHFFFAOYSA-N -1 1 296.779 2.565 20 30 CFEDMM CC(C)CNN=Cc1cccc(Br)c1[O-] ZINC000771557617 627613495 /nfs/dbraw/zinc/61/34/95/627613495.db2.gz HAZPKBWAZOEFJM-UHFFFAOYSA-N -1 1 271.158 2.734 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cscc2Cl)c(=O)o1 ZINC000771845251 627637001 /nfs/dbraw/zinc/63/70/01/627637001.db2.gz JSXPSJSUTGABHE-QAVQXKDTSA-N -1 1 296.731 2.630 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC[C@@H]2C(C)=CCC[C@@H]2C)n1 ZINC000773179564 627792589 /nfs/dbraw/zinc/79/25/89/627792589.db2.gz DCHGSRRDMXPINA-CMPLNLGQSA-N -1 1 260.341 2.881 20 30 CFEDMM C#CCCCCC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000773644673 627844781 /nfs/dbraw/zinc/84/47/81/627844781.db2.gz QOYIZBHLSBVQQF-UHFFFAOYSA-N -1 1 288.343 2.874 20 30 CFEDMM O=C([O-])c1csc(CN=Nc2cc(Cl)ccn2)c1 ZINC000777906046 628263839 /nfs/dbraw/zinc/26/38/39/628263839.db2.gz QYHWOIOQYJWDQY-UHFFFAOYSA-N -1 1 281.724 2.941 20 30 CFEDMM C#CCN1C(=O)c2ccccc2N[C@H]1c1cccc(F)c1[O-] ZINC000778518887 628312086 /nfs/dbraw/zinc/31/20/86/628312086.db2.gz CKUSEJBJWVLWCX-MRXNPFEDSA-N -1 1 296.301 2.731 20 30 CFEDMM COCCC1(CN=Nc2nc(C)cc(=O)[n-]2)CCCCC1 ZINC000780186151 628437613 /nfs/dbraw/zinc/43/76/13/628437613.db2.gz HVJSYUYDTWPYLA-UHFFFAOYSA-N -1 1 292.383 2.875 20 30 CFEDMM Cc1cc(Br)c([O-])c(C=NNC[C@@H](C)C#N)c1 ZINC000781596375 628564137 /nfs/dbraw/zinc/56/41/37/628564137.db2.gz FCSWMCTUELRJBQ-VIFPVBQESA-N -1 1 296.168 2.546 20 30 CFEDMM Cc1cc(C=NNc2ccc(C(=O)[O-])cn2)cc(Cl)n1 ZINC000788722394 629095104 /nfs/dbraw/zinc/09/51/04/629095104.db2.gz SKFTUBQZUHVUAT-UHFFFAOYSA-N -1 1 290.710 2.583 20 30 CFEDMM O=C([O-])c1ccc(N=NCc2ccsc2Cl)nc1 ZINC000790169831 629215814 /nfs/dbraw/zinc/21/58/14/629215814.db2.gz BSZYVSMEJUHNRP-UHFFFAOYSA-N -1 1 281.724 2.941 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cn(C(C)(C)C)nn1)O2 ZINC000790218335 629220511 /nfs/dbraw/zinc/22/05/11/629220511.db2.gz MJVXLYHDQTWFQW-AWNIVKPZSA-N -1 1 299.330 2.663 20 30 CFEDMM CCOc1cc(O)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000791141968 629289319 /nfs/dbraw/zinc/28/93/19/629289319.db2.gz ORBVIJILNORPCY-UHFFFAOYSA-N -1 1 298.298 2.620 20 30 CFEDMM C#C[C@@H](CCC)NC(=O)c1c([O-])cccc1Cl ZINC000791742786 629349995 /nfs/dbraw/zinc/34/99/95/629349995.db2.gz LNZXUYQJWFMRIU-VIFPVBQESA-N -1 1 251.713 2.577 20 30 CFEDMM C[C@@H](NN=Cc1n[nH]c2cc(C(=O)[O-])ccc12)C(C)(C)C ZINC000793116974 629489421 /nfs/dbraw/zinc/48/94/21/629489421.db2.gz WAMBSTYJBWJZGH-SECBINFHSA-N -1 1 288.351 2.619 20 30 CFEDMM [O-]c1ccc(F)c(C=NO[C@H]2CCCCO2)c1F ZINC000794523540 629653732 /nfs/dbraw/zinc/65/37/32/629653732.db2.gz IRWXCZWIGZQSGF-NSHDSACASA-N -1 1 257.236 2.548 20 30 CFEDMM CCc1cccc2c1NC(=O)C2=N[N-]c1ncccc1F ZINC000794986116 629717512 /nfs/dbraw/zinc/71/75/12/629717512.db2.gz ZBPDSFWGWHHGBI-UHFFFAOYSA-N -1 1 284.294 2.551 20 30 CFEDMM COCCCON=Cc1ccc([O-])c(Br)c1 ZINC000795054862 629730638 /nfs/dbraw/zinc/73/06/38/629730638.db2.gz CLRUXRXOTUIEGH-UHFFFAOYSA-N -1 1 288.141 2.542 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000798038259 630143639 /nfs/dbraw/zinc/14/36/39/630143639.db2.gz DIGFSNOVEQKQPT-YGRLFVJLSA-N -1 1 295.766 2.757 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C\c2cn(C)cn2)c([O-])c1 ZINC000800795226 630405132 /nfs/dbraw/zinc/40/51/32/630405132.db2.gz CFSJPEMPKSWKFD-PLNGDYQASA-N -1 1 256.305 2.639 20 30 CFEDMM C=CCOC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801416353 630446051 /nfs/dbraw/zinc/44/60/51/630446051.db2.gz DWXLFZBDARJWCR-UHFFFAOYSA-N -1 1 272.304 2.538 20 30 CFEDMM Cc1nc2cccc(C(=O)Nc3cc(C#N)ccc3[O-])c2[nH]1 ZINC000801932651 630490736 /nfs/dbraw/zinc/49/07/36/630490736.db2.gz SVCOKCSIQNCEBZ-UHFFFAOYSA-N -1 1 292.298 2.701 20 30 CFEDMM C=C(C)CCOC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000803238471 630593147 /nfs/dbraw/zinc/59/31/47/630593147.db2.gz VMVJTGGYXHTZNZ-UHFFFAOYSA-N -1 1 272.304 2.701 20 30 CFEDMM O=C([O-])c1ccc(C(=O)/C=C/c2cccc(O)c2)c(O)c1 ZINC000806559897 630812269 /nfs/dbraw/zinc/81/22/69/630812269.db2.gz GJQFYZFYSQUBJV-QPJJXVBHSA-N -1 1 284.267 2.692 20 30 CFEDMM COc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1O ZINC000806558882 630812683 /nfs/dbraw/zinc/81/26/83/630812683.db2.gz OIXBXLMNCWDEIZ-VQHVLOKHSA-N -1 1 298.294 2.995 20 30 CFEDMM C=CC(C)(C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000840579507 631166507 /nfs/dbraw/zinc/16/65/07/631166507.db2.gz JPZWEDVIKGUUIB-UHFFFAOYSA-N -1 1 288.299 2.754 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C3CC3)cc2)c(=O)o1 ZINC000840715631 631176431 /nfs/dbraw/zinc/17/64/31/631176431.db2.gz QNIXVSRPTJMURP-QVNOTHCHSA-N -1 1 296.322 2.792 20 30 CFEDMM C=CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccncc1 ZINC000809679850 631260355 /nfs/dbraw/zinc/26/03/55/631260355.db2.gz MTDLXCNSOGPKAJ-INIZCTEOSA-N -1 1 293.326 2.706 20 30 CFEDMM C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)C(C)(C)C ZINC000809679389 631260831 /nfs/dbraw/zinc/26/08/31/631260831.db2.gz FTEGUJMCJOULGS-JTQLQIEISA-N -1 1 260.337 2.676 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC/C=C/c2ccccc2)c1 ZINC000809681458 631260868 /nfs/dbraw/zinc/26/08/68/631260868.db2.gz WMYKUWZJPGQBLT-QPJJXVBHSA-N -1 1 278.311 2.707 20 30 CFEDMM CC(NNc1cccc(C(=O)[O-])c1)=C1CC1(F)F ZINC000841601987 631428320 /nfs/dbraw/zinc/42/83/20/631428320.db2.gz BCZAOUSTPXYQMK-JTQLQIEISA-N -1 1 254.236 2.828 20 30 CFEDMM CC[C@@H](O)CNN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000811653690 631594673 /nfs/dbraw/zinc/59/46/73/631594673.db2.gz GXUUAXPDUNNRRW-LLVKDONJSA-N -1 1 292.766 2.893 20 30 CFEDMM CCCON=Cc1ccc([O-])c(Br)c1 ZINC000842565087 631663990 /nfs/dbraw/zinc/66/39/90/631663990.db2.gz BZGNGTZJBNFUGM-UHFFFAOYSA-N -1 1 258.115 2.915 20 30 CFEDMM CC(=NOCCOC(C)C)c1ccc([O-])c(F)c1 ZINC000812238666 631675385 /nfs/dbraw/zinc/67/53/85/631675385.db2.gz COCHEEYVKISQAB-UHFFFAOYSA-N -1 1 255.289 2.697 20 30 CFEDMM COc1cccc(CN=Nc2ccccc2C(=O)[O-])c1 ZINC000812442293 631719215 /nfs/dbraw/zinc/71/92/15/631719215.db2.gz XOWNPRITBRSWSL-UHFFFAOYSA-N -1 1 270.288 2.839 20 30 CFEDMM C#C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000812752502 631767447 /nfs/dbraw/zinc/76/74/47/631767447.db2.gz HEDXYTRVIWDCBE-CQSZACIVSA-N -1 1 287.265 2.775 20 30 CFEDMM C#CCO[N-]C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000812783053 631774051 /nfs/dbraw/zinc/77/40/51/631774051.db2.gz WHBTVZOJTSVWCM-UHFFFAOYSA-N -1 1 289.375 2.824 20 30 CFEDMM CC(C)(C)C#CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000843765631 632051809 /nfs/dbraw/zinc/05/18/09/632051809.db2.gz FMOHQQFDCVONQA-UHFFFAOYSA-N -1 1 283.331 2.770 20 30 CFEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(F)cc1F ZINC000814682065 632107542 /nfs/dbraw/zinc/10/75/42/632107542.db2.gz FISTVTZTONCVDU-UHFFFAOYSA-N -1 1 292.289 2.995 20 30 CFEDMM O=c1[n-]c(N=NC2CCCSC2)nc2ccccc21 ZINC000814868793 632142910 /nfs/dbraw/zinc/14/29/10/632142910.db2.gz JKJHSAYMXXNJSE-UHFFFAOYSA-N -1 1 274.349 2.630 20 30 CFEDMM [O-]c1cc(F)c(Cl)cc1C=NNCCc1ccccn1 ZINC000814925049 632167003 /nfs/dbraw/zinc/16/70/03/632167003.db2.gz NJPLZNSVCKBOPX-UHFFFAOYSA-N -1 1 293.729 2.746 20 30 CFEDMM [O-]c1cc(F)c(Cl)cc1C=NN[C@H]1CCSC1 ZINC000814933636 632171899 /nfs/dbraw/zinc/17/18/99/632171899.db2.gz VCTFWTMFKINIPE-QMMMGPOBSA-N -1 1 274.748 2.614 20 30 CFEDMM [O-]c1cccc(C=NNC[C@@H]2CCSC2)c1Cl ZINC000814935959 632173548 /nfs/dbraw/zinc/17/35/48/632173548.db2.gz UJAQFVUFDRRXCM-VIFPVBQESA-N -1 1 270.785 2.722 20 30 CFEDMM Cc1ccnc(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)c1 ZINC000844587409 632255362 /nfs/dbraw/zinc/25/53/62/632255362.db2.gz NJWPFTZMIMDDAF-UHFFFAOYSA-N -1 1 293.330 2.515 20 30 CFEDMM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)(C)C#N ZINC000816632419 632497278 /nfs/dbraw/zinc/49/72/78/632497278.db2.gz ICQSWLBWEIKDNB-UHFFFAOYSA-N -1 1 297.742 2.935 20 30 CFEDMM C=CCN(CC(=O)[O-])C[C@@H](OC(C)C)c1ccccc1 ZINC000846263644 632676581 /nfs/dbraw/zinc/67/65/81/632676581.db2.gz PZOQASAJQBXBCO-OAHLLOKOSA-N -1 1 277.364 2.725 20 30 CFEDMM C[C@@]1(CCNC(=O)c2cc([O-])cc(C#N)c2)C[C@]1(F)Cl ZINC000846411755 632706333 /nfs/dbraw/zinc/70/63/33/632706333.db2.gz OUZRILSRLPDXSU-ZIAGYGMSSA-N -1 1 296.729 2.698 20 30 CFEDMM C=C[C@H](C)ONC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000846548338 632736754 /nfs/dbraw/zinc/73/67/54/632736754.db2.gz JHCVEUBIHDPVTE-ZETCQYMHSA-N -1 1 275.226 2.647 20 30 CFEDMM Cc1csc(NC(=O)[N-]O[C@@H]2CCCCO2)c1C#N ZINC000847186987 632948295 /nfs/dbraw/zinc/94/82/95/632948295.db2.gz PDTSUMNFTXNFIT-SNVBAGLBSA-N -1 1 281.337 2.508 20 30 CFEDMM C=CCO[N-]C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000848200246 633216693 /nfs/dbraw/zinc/21/66/93/633216693.db2.gz JNRQHHWGJLFRBL-GFCCVEGCSA-N -1 1 267.712 2.535 20 30 CFEDMM O=C(/C=C/c1cn(C2CCC2)nn1)c1ccc([O-])cc1 ZINC000849240587 633588100 /nfs/dbraw/zinc/58/81/00/633588100.db2.gz QFHNUQCJYRLGCH-RMKNXTFCSA-N -1 1 269.304 2.605 20 30 CFEDMM Cn1ncc(C2CC2)c1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000849249300 633590344 /nfs/dbraw/zinc/59/03/44/633590344.db2.gz GZCGTJGTWHNFMX-XYOKQWHBSA-N -1 1 280.327 2.826 20 30 CFEDMM CCCON=Cc1ccc(Br)cc1[O-] ZINC000853369478 634985387 /nfs/dbraw/zinc/98/53/87/634985387.db2.gz YNGFMWGNDVHNFZ-UHFFFAOYSA-N -1 1 258.115 2.915 20 30 CFEDMM C#CCCN(CCOC)C(=O)c1cc2ccccc2cc1[O-] ZINC000856385988 635801225 /nfs/dbraw/zinc/80/12/25/635801225.db2.gz FMZGAHQXRFMAMU-UHFFFAOYSA-N -1 1 297.354 2.657 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]CC(F)(F)CC ZINC000859323327 636541255 /nfs/dbraw/zinc/54/12/55/636541255.db2.gz ZUOCHEYPYPEVKX-UHFFFAOYSA-N -1 1 271.373 2.922 20 30 CFEDMM CC1(C)CCC(C)([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000859334933 636544305 /nfs/dbraw/zinc/54/43/05/636544305.db2.gz KSZAUISIIJKMQZ-UHFFFAOYSA-N -1 1 296.392 2.788 20 30 CFEDMM CC(=O)CCCCCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000862078974 637271926 /nfs/dbraw/zinc/27/19/26/637271926.db2.gz QQFBEDWSOFRKHP-UHFFFAOYSA-N -1 1 288.347 2.533 20 30 CFEDMM CCCCCCCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000862356934 637330555 /nfs/dbraw/zinc/33/05/55/637330555.db2.gz IWJMOUZLSPSSPT-UHFFFAOYSA-N -1 1 263.337 2.662 20 30 CFEDMM C#CC[C@H](CCOC)NC(=O)c1cc2ccccc2cc1[O-] ZINC000863791011 637780489 /nfs/dbraw/zinc/78/04/89/637780489.db2.gz VYDLJSMUPJSOHX-OAHLLOKOSA-N -1 1 297.354 2.704 20 30 CFEDMM Cc1scc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1C ZINC000865214314 638225140 /nfs/dbraw/zinc/22/51/40/638225140.db2.gz QTUMQANMDDJQLN-ZRUQZJFASA-N -1 1 290.340 2.593 20 30 CFEDMM N#CCSCCCOC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869734599 639375596 /nfs/dbraw/zinc/37/55/96/639375596.db2.gz HYQSLBFWNQYSJV-UHFFFAOYSA-N -1 1 299.779 2.778 20 30 CFEDMM CN(C(=O)c1c([O-])cccc1Cl)[C@H]1CCC[C@H]1C#N ZINC000870670720 639761989 /nfs/dbraw/zinc/76/19/89/639761989.db2.gz AJOVCXZSOOABAR-ONGXEEELSA-N -1 1 278.739 2.810 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)C2CCCCCC2)c1 ZINC000870692511 639774731 /nfs/dbraw/zinc/77/47/31/639774731.db2.gz GWYQLPAGAYDGRN-UHFFFAOYSA-N -1 1 258.321 2.939 20 30 CFEDMM CCc1cc(=O)[n-]c(SCc2ccc(C#N)o2)n1 ZINC000871666338 641391644 /nfs/dbraw/zinc/39/16/44/641391644.db2.gz CRAGCWRMRXXYDR-UHFFFAOYSA-N -1 1 261.306 2.502 20 30 CFEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C)o1 ZINC000193470199 650659043 /nfs/dbraw/zinc/65/90/43/650659043.db2.gz YRMMXNPCKVHEGO-NSHDSACASA-N -1 1 298.298 2.558 20 30 CFEDMM CCn1ncc(N[C@H](C)c2cccc(C#N)c2[O-])c1C ZINC000872140116 641668271 /nfs/dbraw/zinc/66/82/71/641668271.db2.gz XRFOJVSPLWOVQR-SNVBAGLBSA-N -1 1 270.336 2.962 20 30 CFEDMM C#Cc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000081934834 650730196 /nfs/dbraw/zinc/73/01/96/650730196.db2.gz VYGZVFPLYNVIRJ-UHFFFAOYSA-N -1 1 255.248 2.765 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cnn(C3CCCC3)c2)c1 ZINC000928793301 648955709 /nfs/dbraw/zinc/95/57/09/648955709.db2.gz NEEPRUZXJRAWCC-UHFFFAOYSA-N -1 1 296.330 2.828 20 30 CFEDMM C=CC[C@H]1CCN1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932063844 649530495 /nfs/dbraw/zinc/53/04/95/649530495.db2.gz XQRZOIKOBJSORH-ZDUSSCGKSA-N -1 1 298.346 2.760 20 30 CFEDMM O=[N+]([O-])c1cc(C=NN=c2[nH]c3ccccc3[nH]2)ccc1[O-] ZINC000254508060 651091495 /nfs/dbraw/zinc/09/14/95/651091495.db2.gz ZWIOFXDTZIYXGN-UHFFFAOYSA-N -1 1 297.274 2.623 20 30 CFEDMM Cc1cnc(-c2c(F)cc([O-])cc2F)c(/C=N/O)c1 ZINC001241119010 782251654 /nfs/dbraw/zinc/25/16/54/782251654.db2.gz CAJDLLWROQVYHR-UBKPWBPPSA-N -1 1 264.231 2.849 20 30 CFEDMM N#Cc1cc2cccnc2nc1[N-]c1nccs1 ZINC001210989870 770410968 /nfs/dbraw/zinc/41/09/68/770410968.db2.gz SHJRWUSULADEJD-UHFFFAOYSA-N -1 1 253.290 2.702 20 30 CFEDMM O=C(/C=C\c1ccc(F)nc1)c1cc(O)ccc1[O-] ZINC000588523851 770930130 /nfs/dbraw/zinc/93/01/30/770930130.db2.gz CFNNBFNDGDCZST-RJRFIUFISA-N -1 1 259.236 2.528 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccc(O)cc1 ZINC000588535119 770949047 /nfs/dbraw/zinc/94/90/47/770949047.db2.gz KHRNWQMHRGSKST-KPKJPENVSA-N -1 1 252.269 2.920 20 30 CFEDMM C=CCC(CC=C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663043 775546749 /nfs/dbraw/zinc/54/67/49/775546749.db2.gz XLZJBDPAFVRZDK-UHFFFAOYSA-N -1 1 250.254 2.595 20 30 CFEDMM C=CC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(C)C ZINC001225664686 775547128 /nfs/dbraw/zinc/54/71/28/775547128.db2.gz RGZCAMVJMUWLBR-JTQLQIEISA-N -1 1 252.270 2.675 20 30 CFEDMM C=CC[C@@H](CCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667010 775549326 /nfs/dbraw/zinc/54/93/26/775549326.db2.gz NJLOCNQXSDDOBO-VIFPVBQESA-N -1 1 252.270 2.819 20 30 CFEDMM CC[C@@H](C#Cc1ccccc1)Oc1cc(=O)[n-]c(=S)[nH]1 ZINC001225762401 775585321 /nfs/dbraw/zinc/58/53/21/775585321.db2.gz MXVVNEALTJFAAD-LBPRGKRZSA-N -1 1 286.356 2.680 20 30 CFEDMM C=C[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001225763200 775585664 /nfs/dbraw/zinc/58/56/64/775585664.db2.gz WPTKTXMXSPAGBV-SNVBAGLBSA-N -1 1 260.318 2.777 20 30 CFEDMM C#C[C@H](Oc1cccc(/C=N/[O-])c1)c1ccncc1 ZINC001226116791 775706204 /nfs/dbraw/zinc/70/62/04/775706204.db2.gz UILRXXAMICPGPN-VUVCFOEZSA-N -1 1 252.273 2.643 20 30 CFEDMM C[C@@H](CS)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226185469 775729268 /nfs/dbraw/zinc/72/92/68/775729268.db2.gz WZCRGKCZRWNRQQ-VIFPVBQESA-N -1 1 262.334 2.546 20 30 CFEDMM C#C[C@H](Oc1[n-]c(=S)ncc1OC)c1ccccc1 ZINC001226242322 775750653 /nfs/dbraw/zinc/75/06/53/775750653.db2.gz LMOALSDDKNAJAT-NSHDSACASA-N -1 1 272.329 2.527 20 30 CFEDMM C[C@H](Oc1nccc(/C=N/[O-])n1)c1cccc(F)c1F ZINC001226255436 775757926 /nfs/dbraw/zinc/75/79/26/775757926.db2.gz IYCFHYIVEIPYMP-TXQWPAICSA-N -1 1 279.246 2.703 20 30 CFEDMM CCC#C[C@@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226486462 775843106 /nfs/dbraw/zinc/84/31/06/775843106.db2.gz QBVXMHGHATVWSD-LLVKDONJSA-N -1 1 272.300 2.988 20 30 CFEDMM C#C[C@@H](Oc1cc([O-])cc2oc(=O)cc(C)c12)C(C)C ZINC001226486950 775843556 /nfs/dbraw/zinc/84/35/56/775843556.db2.gz SVUOFSKOQIKYSW-GFCCVEGCSA-N -1 1 272.300 2.844 20 30 CFEDMM CCCc1cc(OC2=C(CC)O[C@@H](C)C2=O)[n-]c(=S)n1 ZINC001227416837 776196440 /nfs/dbraw/zinc/19/64/40/776196440.db2.gz HQZOCVRKRSPOIO-QMMMGPOBSA-N -1 1 294.376 2.706 20 30 CFEDMM Cc1ccc([C@@H](C)Oc2ccc([O-])c(C#N)c2C#N)cn1 ZINC001227617265 776246132 /nfs/dbraw/zinc/24/61/32/776246132.db2.gz CCRSQIRNIAKEQJ-LLVKDONJSA-N -1 1 279.299 2.979 20 30 CFEDMM C[C@@H]1OCc2c1nc(=O)[n-]c2O[C@@H](CC#N)c1ccccc1 ZINC001227713579 776267406 /nfs/dbraw/zinc/26/74/06/776267406.db2.gz PBTHOPFMFIYOBF-GWCFXTLKSA-N -1 1 297.314 2.807 20 30 CFEDMM CCOC(=O)[C@H](Oc1cc([O-])ccc1C#N)c1ccccc1 ZINC001228005810 776358855 /nfs/dbraw/zinc/35/88/55/776358855.db2.gz SJXLLPHXIRYLRE-MRXNPFEDSA-N -1 1 297.310 2.947 20 30 CFEDMM CCOC(=O)[C@H](CC(C)C)Oc1cc([O-])ccc1C#N ZINC001228007218 776360487 /nfs/dbraw/zinc/36/04/87/776360487.db2.gz OAJPJEVSKMTSKL-AWEZNQCLSA-N -1 1 277.320 2.620 20 30 CFEDMM C=CCC(CC=C)Oc1[n-]c(=S)ncc1C(=O)OCC ZINC001228551403 776517299 /nfs/dbraw/zinc/51/72/99/776517299.db2.gz QGYXWLMGQRMSHJ-UHFFFAOYSA-N -1 1 294.376 2.842 20 30 CFEDMM CCC#C[C@@H](C)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228556370 776519616 /nfs/dbraw/zinc/51/96/16/776519616.db2.gz NZPCBBBPNNBGSX-SNVBAGLBSA-N -1 1 262.305 2.871 20 30 CFEDMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CC[C@@H](C#N)C1 ZINC001228557730 776521215 /nfs/dbraw/zinc/52/12/15/776521215.db2.gz AUWLYAQZBVPQPD-MWLCHTKSSA-N -1 1 275.304 2.762 20 30 CFEDMM CC(=O)N1CCC(O/C(=N\[O-])c2ccc(Cl)cc2)CC1 ZINC001223592460 776735865 /nfs/dbraw/zinc/73/58/65/776735865.db2.gz AAQMJKJYXHKGHJ-PEZBUJJGSA-N -1 1 296.754 2.503 20 30 CFEDMM C#C[C@H](C)Oc1cc(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001229294453 776772678 /nfs/dbraw/zinc/77/26/78/776772678.db2.gz PDQNLFQQZWYCLQ-NSHDSACASA-N -1 1 282.295 2.729 20 30 CFEDMM C=C1O[C@@H](CC)C(=O)C1Oc1ccccc1/C(C)=N/[O-] ZINC001229736473 776883494 /nfs/dbraw/zinc/88/34/94/776883494.db2.gz DDTXTWNANQQSFJ-RGZVIEDOSA-N -1 1 275.304 2.873 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@@H](C)c1cncnc1 ZINC001229737446 776884303 /nfs/dbraw/zinc/88/43/03/776884303.db2.gz ZGECNFYZMPFWME-MUOOZZNISA-N -1 1 257.293 2.815 20 30 CFEDMM CCOC(=O)[C@H]1CCC[C@H]1Oc1ccccc1/C(C)=N/[O-] ZINC001229736727 776884448 /nfs/dbraw/zinc/88/44/48/776884448.db2.gz IOWJTWMUWMSZKH-YZTBUCIPSA-N -1 1 291.347 2.995 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@@H]1CCn2ccnc21 ZINC001229741570 776885286 /nfs/dbraw/zinc/88/52/86/776885286.db2.gz QEWRWNKTJWKEHH-BVTUPMQUSA-N -1 1 257.293 2.605 20 30 CFEDMM N#CCCN(Cc1cccnc1)Cc1ccc(C#N)cc1[O-] ZINC001233383765 777926698 /nfs/dbraw/zinc/92/66/98/777926698.db2.gz VIWXZFBJBHWIPH-UHFFFAOYSA-N -1 1 292.342 2.575 20 30 CFEDMM C[C@]1(CF)CC(F)(F)CN1Cc1ccc(C#N)cc1[O-] ZINC001233383768 777926712 /nfs/dbraw/zinc/92/67/12/777926712.db2.gz VLKPRQNQJNLXCJ-CYBMUJFWSA-N -1 1 284.281 2.833 20 30 CFEDMM N#Cc1ccc(CN2CC(Oc3ccccc3)C2)c([O-])c1 ZINC001233386566 777929310 /nfs/dbraw/zinc/92/93/10/777929310.db2.gz YUQLABHYBOYTRJ-UHFFFAOYSA-N -1 1 280.327 2.527 20 30 CFEDMM N#CCC1CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415969 777943357 /nfs/dbraw/zinc/94/33/57/777943357.db2.gz QFZOLCOSQNQSPJ-UHFFFAOYSA-N -1 1 270.254 2.756 20 30 CFEDMM C=CC[C@@H](CCC)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234564185 778253652 /nfs/dbraw/zinc/25/36/52/778253652.db2.gz ADKFYYNKBYKKFN-JTQLQIEISA-N -1 1 293.367 2.528 20 30 CFEDMM C=CC[C@H](CCC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234608120 778264305 /nfs/dbraw/zinc/26/43/05/778264305.db2.gz JBFKKTLFNFMQMT-SECBINFHSA-N -1 1 283.299 2.837 20 30 CFEDMM CCOC(=O)[C@H]1CC[C@H](Oc2ccccc2C=N[O-])CC1 ZINC001234819923 778301436 /nfs/dbraw/zinc/30/14/36/778301436.db2.gz QJKGMVSCBSAEFY-MQMHXKEQSA-N -1 1 291.347 2.995 20 30 CFEDMM Cc1cn2c(n1)[C@@H](Oc1ccccc1C=N[O-])CCC2 ZINC001234820801 778302195 /nfs/dbraw/zinc/30/21/95/778302195.db2.gz YOIPFPFNOACYDT-AWEZNQCLSA-N -1 1 271.320 2.914 20 30 CFEDMM N#Cc1nc(-c2c(F)cc(F)c([O-])c2F)cc2nc[nH]c21 ZINC001235986220 778640913 /nfs/dbraw/zinc/64/09/13/778640913.db2.gz ULKCSKQHDBDVKI-UHFFFAOYSA-N -1 1 290.204 2.619 20 30 CFEDMM N#Cc1cc(-c2cncc([O-])c2)nc(C(F)(F)F)c1 ZINC001236574718 778880121 /nfs/dbraw/zinc/88/01/21/778880121.db2.gz WVNSEPASPCDYEE-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM Cc1cc(Br)c([O-])c(CN2CC[C@@H](C#N)C2)c1 ZINC001236670418 778907586 /nfs/dbraw/zinc/90/75/86/778907586.db2.gz XXEMDTVNGDKCCO-JTQLQIEISA-N -1 1 295.180 2.809 20 30 CFEDMM N#C[C@@H]1CCCN1Cc1c([O-])ccc(F)c1Cl ZINC001237122358 779019831 /nfs/dbraw/zinc/01/98/31/779019831.db2.gz UHVKEHKEIUETAE-QMMMGPOBSA-N -1 1 254.692 2.673 20 30 CFEDMM [O-]/N=C/c1ccc(F)c(-c2cnn(Cc3ccncc3)c2)c1 ZINC001239050804 779452241 /nfs/dbraw/zinc/45/22/41/779452241.db2.gz CIZSDJOSWQCBCA-DNTJNYDQSA-N -1 1 296.305 2.941 20 30 CFEDMM COC(=O)c1ccc(-c2ccccc2C=N[O-])cc1OC ZINC001240446754 780172507 /nfs/dbraw/zinc/17/25/07/780172507.db2.gz DUEDPIRTPJKZAC-UHFFFAOYSA-N -1 1 285.299 2.957 20 30 CFEDMM CC(C)(O)c1cncc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001240671307 780345251 /nfs/dbraw/zinc/34/52/51/780345251.db2.gz OUTAYZWIQSSQSY-CNHKJKLMSA-N -1 1 274.295 2.923 20 30 CFEDMM N#Cc1c[nH]c2nccc(-c3ccc([O-])c(F)c3)c12 ZINC001240787041 780442227 /nfs/dbraw/zinc/44/22/27/780442227.db2.gz IJQIZOHLDBVEAA-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM N#Cc1cc2c(nc1-c1cc([O-])cc(F)c1)CCC2 ZINC001241261540 780741301 /nfs/dbraw/zinc/74/13/01/780741301.db2.gz AHXLMXBLBYRAFN-UHFFFAOYSA-N -1 1 254.264 2.954 20 30 CFEDMM C#C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(C)C ZINC001128796174 780848722 /nfs/dbraw/zinc/84/87/22/780848722.db2.gz WSZRZZAFAXTAMI-GFCCVEGCSA-N -1 1 287.256 2.831 20 30 CFEDMM O=C1NCCc2cc(-c3ccc(/C=N/[O-])c(F)c3)ccc21 ZINC001242327204 781403023 /nfs/dbraw/zinc/40/30/23/781403023.db2.gz XUZXCQGMRZTGSO-DJKKODMXSA-N -1 1 284.290 2.587 20 30 CFEDMM N#Cc1c[nH]c2ccnc(-c3cccc(C(=O)[O-])c3F)c12 ZINC001242376648 781445199 /nfs/dbraw/zinc/44/51/99/781445199.db2.gz MJVQADWDFNVLBB-UHFFFAOYSA-N -1 1 281.246 2.939 20 30 CFEDMM [O-]/N=C/c1ccc(-c2ccc(CO)c(F)c2)cc1F ZINC001242533814 781575358 /nfs/dbraw/zinc/57/53/58/781575358.db2.gz QAFRHJRAXKJZFS-REZTVBANSA-N -1 1 263.243 2.932 20 30 CFEDMM CSc1cc(-c2ccc([O-])c(C#N)c2)nc(C)n1 ZINC001242561697 781599721 /nfs/dbraw/zinc/59/97/21/781599721.db2.gz AXIHEZBHYGHTQT-UHFFFAOYSA-N -1 1 257.318 2.751 20 30 CFEDMM Cc1nc2ccc(-c3ccc([O-])c(C#N)c3)nc2[nH]1 ZINC001242562905 781601851 /nfs/dbraw/zinc/60/18/51/781601851.db2.gz NFNXDTOMURWTAP-UHFFFAOYSA-N -1 1 250.261 2.511 20 30 CFEDMM CCCc1cc(-c2ccc([O-])c(C#N)c2)nc(C)n1 ZINC001242564381 781603788 /nfs/dbraw/zinc/60/37/88/781603788.db2.gz XGFQIZWBOUFIAD-UHFFFAOYSA-N -1 1 253.305 2.982 20 30 CFEDMM CSc1ncc2ccc(-c3ccc([O-])c(C#N)c3)nc2n1 ZINC001242564443 781603926 /nfs/dbraw/zinc/60/39/26/781603926.db2.gz ZZVGJLKRDQVECG-UHFFFAOYSA-N -1 1 294.339 2.991 20 30 CFEDMM COC(=O)c1ccc(-c2ccc([O-])c(C#N)c2)c(OC)c1 ZINC001242564998 781603964 /nfs/dbraw/zinc/60/39/64/781603964.db2.gz GGVFBPRQCFSZID-UHFFFAOYSA-N -1 1 283.283 2.726 20 30 CFEDMM COc1ccnc2cc(-c3ccc([O-])c(C#N)c3)cnc21 ZINC001242566158 781604581 /nfs/dbraw/zinc/60/45/81/781604581.db2.gz KXXUELCZKCWRCF-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM COc1cc2nccn2cc1-c1ccc([O-])c(C#N)c1 ZINC001242565993 781604604 /nfs/dbraw/zinc/60/46/04/781604604.db2.gz ZKYSBACTZYBNOJ-UHFFFAOYSA-N -1 1 265.272 2.587 20 30 CFEDMM N#Cc1cc(-c2ccc(=O)n(CC(F)(F)F)c2)ccc1[O-] ZINC001242567053 781606037 /nfs/dbraw/zinc/60/60/37/781606037.db2.gz PMYPSDVVIJBUDY-UHFFFAOYSA-N -1 1 294.232 2.655 20 30 CFEDMM COC(=O)c1cc(F)c(F)c(-c2ccc([O-])c(C#N)c2)c1 ZINC001242566808 781606310 /nfs/dbraw/zinc/60/63/10/781606310.db2.gz LIVLGCUTJMTAAP-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM Cc1nc2c(ncc(-c3ccc([O-])c(C#N)c3)c2C)[nH]1 ZINC001242566362 781606891 /nfs/dbraw/zinc/60/68/91/781606891.db2.gz VRAKKKDAGGPEHQ-UHFFFAOYSA-N -1 1 264.288 2.819 20 30 CFEDMM N#Cc1cc(-c2cnc(OCC3CCC3)nc2)ccc1[O-] ZINC001242566468 781606931 /nfs/dbraw/zinc/60/69/31/781606931.db2.gz ATRATNCZHFPFJW-UHFFFAOYSA-N -1 1 281.315 2.900 20 30 CFEDMM N#Cc1cc(-c2ccc3cc(C(N)=O)cnc3c2)ccc1[O-] ZINC001242566233 781607014 /nfs/dbraw/zinc/60/70/14/781607014.db2.gz OQHZSEWJGIPCFN-UHFFFAOYSA-N -1 1 289.294 2.578 20 30 CFEDMM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000594790116 349487833 /nfs/dbraw/zinc/48/78/33/349487833.db2.gz RWSACUMOPKTZQE-YPMHNXCESA-N -1 1 294.376 2.564 20 30 CFEDMM N#Cc1[n-]c(=N[C@H]2CCOC3(CCC3)C2)sc1Cl ZINC000596165792 349814458 /nfs/dbraw/zinc/81/44/58/349814458.db2.gz LWPKVZDLRPCRDL-QMMMGPOBSA-N -1 1 283.784 2.604 20 30 CFEDMM N#Cc1[n-]c(=N[C@@H]2CCC[C@@H]3C[C@@H]32)sc1Cl ZINC000596269980 349848790 /nfs/dbraw/zinc/84/87/90/349848790.db2.gz JMVTWZZLVDJSSM-GJMOJQLCSA-N -1 1 253.758 2.691 20 30 CFEDMM CC1(C)[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1(F)F ZINC000596512515 349926178 /nfs/dbraw/zinc/92/61/78/349926178.db2.gz HXGSYRVAGBKQJF-ZCFIWIBFSA-N -1 1 277.727 2.793 20 30 CFEDMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(C#N)cc1 ZINC000081939157 347440016 /nfs/dbraw/zinc/44/00/16/347440016.db2.gz RXOQXCMSUGVSME-SNVBAGLBSA-N -1 1 284.290 2.894 20 30 CFEDMM C=CC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000093359145 347671171 /nfs/dbraw/zinc/67/11/71/347671171.db2.gz VMCGTWFUEAQFFS-UHFFFAOYSA-N -1 1 262.309 2.698 20 30 CFEDMM N#Cc1cccc(F)c1CC(=O)Nc1c([O-])cccc1F ZINC000586801846 348754595 /nfs/dbraw/zinc/75/45/95/348754595.db2.gz RTFAMKMKRPDOEE-UHFFFAOYSA-N -1 1 288.253 2.723 20 30 CFEDMM C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589156730 348814140 /nfs/dbraw/zinc/81/41/40/348814140.db2.gz RFAZICKXBBQWBW-GFCCVEGCSA-N -1 1 280.327 2.797 20 30 CFEDMM CN(Cc1cccs1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589158344 348814377 /nfs/dbraw/zinc/81/43/77/348814377.db2.gz HPBDNPBHTGGCCX-UHFFFAOYSA-N -1 1 272.329 2.598 20 30 CFEDMM CCCN(CC(C)C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589168674 348814925 /nfs/dbraw/zinc/81/49/25/348814925.db2.gz ASCMCUOMRCFHEO-UHFFFAOYSA-N -1 1 260.337 2.772 20 30 CFEDMM C[C@@H]1CCCC[C@H]1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589170880 348815259 /nfs/dbraw/zinc/81/52/59/348815259.db2.gz HJEWKYICQKTZQU-YPMHNXCESA-N -1 1 272.348 2.820 20 30 CFEDMM Cc1ccccc1C[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589169075 348815528 /nfs/dbraw/zinc/81/55/28/348815528.db2.gz WFPAWKUYGOMRHR-ZDUSSCGKSA-N -1 1 294.354 2.933 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000589182966 348816947 /nfs/dbraw/zinc/81/69/47/348816947.db2.gz BFPWBQZOBRAPLS-MRXNPFEDSA-N -1 1 296.301 2.820 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N(CC2CC2)CC2CC2)c1 ZINC000589181316 348817016 /nfs/dbraw/zinc/81/70/16/348817016.db2.gz LPWLMOVNDKMWKX-UHFFFAOYSA-N -1 1 270.332 2.526 20 30 CFEDMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589188556 348817675 /nfs/dbraw/zinc/81/76/75/348817675.db2.gz LQARPTBBPLSXRN-HBYGRHMLSA-N -1 1 272.348 2.818 20 30 CFEDMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589197227 348818824 /nfs/dbraw/zinc/81/88/24/348818824.db2.gz HKVPDAHFIISTFX-ZWNOBZJWSA-N -1 1 258.321 2.667 20 30 CFEDMM CC[C@H]1[C@H](C)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589207547 348819845 /nfs/dbraw/zinc/81/98/45/348819845.db2.gz ABFBHRANZKUWEM-YGRLFVJLSA-N -1 1 258.321 2.524 20 30 CFEDMM N#Cc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000589331251 348827370 /nfs/dbraw/zinc/82/73/70/348827370.db2.gz MYFRBXIQEXDBCD-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(C3CC3)CC2)c1 ZINC000590425586 348900060 /nfs/dbraw/zinc/90/00/60/348900060.db2.gz KYAXVFAOTUPXAD-UHFFFAOYSA-N -1 1 270.332 2.526 20 30 CFEDMM Cc1ccc(-c2cc(=NC(=O)CC3(C#N)CC3)[nH][n-]2)s1 ZINC000590665779 348924856 /nfs/dbraw/zinc/92/48/56/348924856.db2.gz DEBJKMYSQZCZFY-UHFFFAOYSA-N -1 1 286.360 2.501 20 30 CFEDMM C[C@]1(C#N)CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000597503568 350106159 /nfs/dbraw/zinc/10/61/59/350106159.db2.gz VIFKGGXZKCGIEN-QGZVFWFLSA-N -1 1 295.342 2.706 20 30 CFEDMM C[C@H](C#N)CN(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000597438100 350097331 /nfs/dbraw/zinc/09/73/31/350097331.db2.gz PBGMQMWDQQMMIF-LLVKDONJSA-N -1 1 295.342 2.705 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(C3CCC3)CC2)c1 ZINC000597989710 350174544 /nfs/dbraw/zinc/17/45/44/350174544.db2.gz IHELQFGPICLJMF-UHFFFAOYSA-N -1 1 284.359 2.916 20 30 CFEDMM C[C@]1(C#N)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000598417650 350264712 /nfs/dbraw/zinc/26/47/12/350264712.db2.gz KXTXXDYCWXFZLQ-CYBMUJFWSA-N -1 1 298.264 2.787 20 30 CFEDMM C=CC(C)(C)CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000600165009 350526977 /nfs/dbraw/zinc/52/69/77/350526977.db2.gz NZOPTEKSXQNUBW-UHFFFAOYSA-N -1 1 258.321 2.596 20 30 CFEDMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000601804844 350779023 /nfs/dbraw/zinc/77/90/23/350779023.db2.gz MTKJAJRXUXWRIF-YPMHNXCESA-N -1 1 292.766 2.739 20 30 CFEDMM CCc1c(-c2ccc(F)cc2Cl)[n-]n(CCC#N)c1=O ZINC000601930861 350805084 /nfs/dbraw/zinc/80/50/84/350805084.db2.gz JWDUIXUBUZSGHY-JTQLQIEISA-N -1 1 293.729 2.965 20 30 CFEDMM CCc1c(C(C)C)[n-]n(-c2ccc(C#N)cc2)c1=O ZINC000601931667 350806273 /nfs/dbraw/zinc/80/62/73/350806273.db2.gz NYVGVWIXWLJZCJ-ZDUSSCGKSA-N -1 1 255.321 2.943 20 30 CFEDMM CCc1c(C(C)C)[n-]n(-c2cccc(C#N)c2)c1=O ZINC000601933514 350806627 /nfs/dbraw/zinc/80/66/27/350806627.db2.gz ZYCSWRBJBQTDJS-ZDUSSCGKSA-N -1 1 255.321 2.943 20 30 CFEDMM C[C@@H]1CCc2[n-]n(Cc3cccc(C#N)c3)c(=O)c2C1 ZINC000601944563 350812486 /nfs/dbraw/zinc/81/24/86/350812486.db2.gz LNPMEFWBIXTWJC-BXUZGUMPSA-N -1 1 267.332 2.693 20 30 CFEDMM N#CCC1(CNC(=O)N=c2[n-]sc3ccccc32)CC1 ZINC000603050603 351094866 /nfs/dbraw/zinc/09/48/66/351094866.db2.gz JVUZAGWRTBOVMB-UHFFFAOYSA-N -1 1 286.360 2.534 20 30 CFEDMM N#Cc1ccnc(SCC(=O)c2ccc([O-])cc2)c1 ZINC000603724820 351179142 /nfs/dbraw/zinc/17/91/42/351179142.db2.gz DPWZWMFKSOUEEQ-UHFFFAOYSA-N -1 1 270.313 2.634 20 30 CFEDMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(C#N)cc1 ZINC000613447693 351961582 /nfs/dbraw/zinc/96/15/82/351961582.db2.gz VJZWBKRRXMLXMS-SNVBAGLBSA-N -1 1 284.290 2.894 20 30 CFEDMM Cc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293400 352076644 /nfs/dbraw/zinc/07/66/44/352076644.db2.gz NFDWEBUFURKFNP-UHFFFAOYSA-N -1 1 252.273 2.825 20 30 CFEDMM C[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614298030 352077022 /nfs/dbraw/zinc/07/70/22/352077022.db2.gz JHRRSQBJQIQZPW-NSHDSACASA-N -1 1 258.321 2.526 20 30 CFEDMM C[C@@H](Cc1ccccc1F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614297164 352077136 /nfs/dbraw/zinc/07/71/36/352077136.db2.gz RGPUTILRFSUWKW-NSHDSACASA-N -1 1 298.317 2.764 20 30 CFEDMM C[C@@H](Cc1cccs1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614298314 352077245 /nfs/dbraw/zinc/07/72/45/352077245.db2.gz KCEYUJJPNOKNQI-JTQLQIEISA-N -1 1 286.356 2.686 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(Cl)ccc2O)c1 ZINC000614297006 352077304 /nfs/dbraw/zinc/07/73/04/352077304.db2.gz ILAVYPPAQPTQCQ-UHFFFAOYSA-N -1 1 288.690 2.875 20 30 CFEDMM CCc1ccc(O)c(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614300811 352077851 /nfs/dbraw/zinc/07/78/51/352077851.db2.gz UPWFJWLOHQFIJQ-UHFFFAOYSA-N -1 1 282.299 2.784 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC000614300860 352077916 /nfs/dbraw/zinc/07/79/16/352077916.db2.gz XGEBSQUFJMKSPL-UHFFFAOYSA-N -1 1 298.264 2.678 20 30 CFEDMM C[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H]1C ZINC000614357053 352084443 /nfs/dbraw/zinc/08/44/43/352084443.db2.gz NGAQPYOUAZEIHD-JRPNMDOOSA-N -1 1 272.348 2.818 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1[O-] ZINC000615478580 352198330 /nfs/dbraw/zinc/19/83/30/352198330.db2.gz ZDGKTYBOCVZEFV-CABCVRRESA-N -1 1 284.359 2.962 20 30 CFEDMM CC1(NC(=O)c2ccc(C#N)c([O-])c2)CCC(F)(F)CC1 ZINC000615434118 352192625 /nfs/dbraw/zinc/19/26/25/352192625.db2.gz DPLBZDLVPORVIV-UHFFFAOYSA-N -1 1 294.301 2.962 20 30 CFEDMM C[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000615491011 352199374 /nfs/dbraw/zinc/19/93/74/352199374.db2.gz GEJPJJJUDUVWCR-BXUZGUMPSA-N -1 1 272.348 2.962 20 30 CFEDMM C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000617042999 352478402 /nfs/dbraw/zinc/47/84/02/352478402.db2.gz XYLWCLQTSLITCC-SWLSCSKDSA-N -1 1 287.359 2.826 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000618024668 352699512 /nfs/dbraw/zinc/69/95/12/352699512.db2.gz DAIWRQLIXMCWIO-VIFPVBQESA-N -1 1 298.264 2.678 20 30 CFEDMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000619420398 353019447 /nfs/dbraw/zinc/01/94/47/353019447.db2.gz OYCGPKASWPGVFR-PELKAZGASA-N -1 1 298.264 2.677 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCCC(F)(F)C2)c1 ZINC000619728974 353060638 /nfs/dbraw/zinc/06/06/38/353060638.db2.gz JEQZTDKPBBDSKR-JTQLQIEISA-N -1 1 294.301 2.819 20 30 CFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccsc1 ZINC000619777771 353066038 /nfs/dbraw/zinc/06/60/38/353066038.db2.gz XIWXCPWDMJNTPO-VIFPVBQESA-N -1 1 272.329 2.816 20 30 CFEDMM C=CC(C)(C)CCNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000628315463 354540582 /nfs/dbraw/zinc/54/05/82/354540582.db2.gz MGBFLRFBIRQBKC-UHFFFAOYSA-N -1 1 295.408 2.545 20 30 CFEDMM C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000351100684 540486936 /nfs/dbraw/zinc/48/69/36/540486936.db2.gz FNCKBZVOMYXWRJ-SKDRFNHKSA-N -1 1 276.267 2.640 20 30 CFEDMM N#Cc1cc2c(nc1-c1ccc(F)c([O-])c1)CCOC2 ZINC001243048991 781953339 /nfs/dbraw/zinc/95/33/39/781953339.db2.gz JQAXRNUHSODPDK-UHFFFAOYSA-N -1 1 270.263 2.538 20 30 CFEDMM N#Cc1c2c(cnc1-c1ccc(F)c([O-])c1)CCC2 ZINC001243049619 781954310 /nfs/dbraw/zinc/95/43/10/781954310.db2.gz MGUTWGJRESAZTJ-UHFFFAOYSA-N -1 1 254.264 2.954 20 30 CFEDMM CCCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C1CCC1 ZINC000332007172 204382610 /nfs/dbraw/zinc/38/26/10/204382610.db2.gz QUARUSVZGDZLAE-ZDUSSCGKSA-N -1 1 296.392 2.788 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2cccc(C#N)c2)n1 ZINC000041521504 372845396 /nfs/dbraw/zinc/84/53/96/372845396.db2.gz KIHRJVJFRWPYTJ-GFCCVEGCSA-N -1 1 267.313 2.813 20 30 CFEDMM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000335200936 220238123 /nfs/dbraw/zinc/23/81/23/220238123.db2.gz JRQMKRZUERUYCF-SNVBAGLBSA-N -1 1 258.321 2.524 20 30 CFEDMM C[C@H](CC#N)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000063096304 373784331 /nfs/dbraw/zinc/78/43/31/373784331.db2.gz RGBMFHFSFWQIAS-LLVKDONJSA-N -1 1 268.316 2.920 20 30 CFEDMM Cc1cnc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000329224148 227362849 /nfs/dbraw/zinc/36/28/49/227362849.db2.gz ZEIMDONZKJPKQI-GFCCVEGCSA-N -1 1 290.363 2.892 20 30 CFEDMM C=CCO[N-]C(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000529469290 383705366 /nfs/dbraw/zinc/70/53/66/383705366.db2.gz QUYWDVMKCKRUDF-AWEZNQCLSA-N -1 1 294.782 2.538 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000115729275 376148527 /nfs/dbraw/zinc/14/85/27/376148527.db2.gz MPJOZHLEGGCMIY-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1cccc(Cl)c1OC ZINC000123153354 376950210 /nfs/dbraw/zinc/95/02/10/376950210.db2.gz XVDCFDRBARRFKZ-UHFFFAOYSA-N -1 1 275.757 2.666 20 30 CFEDMM CCN(CCC#N)C(=O)c1cc(Br)ccc1[O-] ZINC000133230199 377915001 /nfs/dbraw/zinc/91/50/01/377915001.db2.gz GIZSTASRZUYEMK-UHFFFAOYSA-N -1 1 297.152 2.530 20 30 CFEDMM CCC(CC)(CC)C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000330663848 378596590 /nfs/dbraw/zinc/59/65/90/378596590.db2.gz FHWFLQJXBRLESO-UHFFFAOYSA-N -1 1 284.381 2.646 20 30 CFEDMM CC(C)[C@@H]1N(C(=O)c2ccc(C#N)c([O-])c2)CC12CCC2 ZINC000335951028 380149821 /nfs/dbraw/zinc/14/98/21/380149821.db2.gz ZVRBESYGFCXTSD-HNNXBMFYSA-N -1 1 284.359 2.915 20 30 CFEDMM N#CCCCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000179213583 380520087 /nfs/dbraw/zinc/52/00/87/380520087.db2.gz XPUUKOGCPWFOSJ-UHFFFAOYSA-N -1 1 297.152 2.578 20 30 CFEDMM N#C[C@@H](NC(=O)c1ccc([O-])cc1F)C1CCCCC1 ZINC000182020367 380966950 /nfs/dbraw/zinc/96/69/50/380966950.db2.gz SFJIOVTUOCQTBK-CQSZACIVSA-N -1 1 276.311 2.734 20 30 CFEDMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)C#N)c1 ZINC000182933644 381186658 /nfs/dbraw/zinc/18/66/58/381186658.db2.gz DJJYCNMAEUXSCU-UHFFFAOYSA-N -1 1 297.152 2.951 20 30 CFEDMM N#CC(=C([O-])c1csc(Cl)c1)c1ccncn1 ZINC000342701476 381487602 /nfs/dbraw/zinc/48/76/02/381487602.db2.gz NDXGTNAAMLUBOH-QMMMGPOBSA-N -1 1 263.709 2.682 20 30 CFEDMM C#CCO[N-]C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000291028457 381638826 /nfs/dbraw/zinc/63/88/26/381638826.db2.gz BCDYFCIDTVIABQ-UHFFFAOYSA-N -1 1 259.349 2.598 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCCc3ccccc3C2)cc1[O-] ZINC000188309645 382389393 /nfs/dbraw/zinc/38/93/93/382389393.db2.gz SUNJKBNPTJCUDX-UHFFFAOYSA-N -1 1 292.338 2.852 20 30 CFEDMM Cc1nc(SCCCSCC#N)[n-]c(=O)c1C ZINC000346717065 382487483 /nfs/dbraw/zinc/48/74/83/382487483.db2.gz QLAXJARFUGPHGQ-UHFFFAOYSA-N -1 1 269.395 2.538 20 30 CFEDMM C=C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000352994832 382487733 /nfs/dbraw/zinc/48/77/33/382487733.db2.gz XFEYMBUMIDNTMD-LURJTMIESA-N -1 1 298.166 2.985 20 30 CFEDMM N#CC(=C([O-])c1ccccc1OC1CCC1)c1ccncn1 ZINC000680617688 542342811 /nfs/dbraw/zinc/34/28/11/542342811.db2.gz BAEKLYCEBNPMEJ-CQSZACIVSA-N -1 1 293.326 2.898 20 30 CFEDMM CC#CCCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000193195958 382716743 /nfs/dbraw/zinc/71/67/43/382716743.db2.gz SGEBCTOOZFFYER-UHFFFAOYSA-N -1 1 252.701 2.573 20 30 CFEDMM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000457284015 383012092 /nfs/dbraw/zinc/01/20/92/383012092.db2.gz NTEYXXXSAPAPNP-GDBMZVCRSA-N -1 1 272.348 2.818 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]C1(C(F)F)CCCCC1 ZINC000427790227 383416396 /nfs/dbraw/zinc/41/63/96/383416396.db2.gz RYUXXUKIQANTNG-UHFFFAOYSA-N -1 1 281.368 2.840 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000427777116 383417266 /nfs/dbraw/zinc/41/72/66/383417266.db2.gz YDOLQTHFDAINSO-UHFFFAOYSA-N -1 1 274.773 2.751 20 30 CFEDMM Cc1cccnc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000429329619 383520153 /nfs/dbraw/zinc/52/01/53/383520153.db2.gz AYOKYSOWSGYHIS-NSHDSACASA-N -1 1 276.299 2.756 20 30 CFEDMM N#C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000436759270 383890010 /nfs/dbraw/zinc/89/00/10/383890010.db2.gz VWNCNGOSPYIXDF-ZDUSSCGKSA-N -1 1 288.253 2.665 20 30 CFEDMM N#CC1(F)CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436841086 383897434 /nfs/dbraw/zinc/89/74/34/383897434.db2.gz UNHPMFQDSBZUHR-UHFFFAOYSA-N -1 1 282.702 2.513 20 30 CFEDMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C#N)ccc1OC ZINC000573496161 383938813 /nfs/dbraw/zinc/93/88/13/383938813.db2.gz QRESJCPOBPLYSJ-GFCCVEGCSA-N -1 1 296.392 2.887 20 30 CFEDMM CC#CCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289041481 197219928 /nfs/dbraw/zinc/21/99/28/197219928.db2.gz KEDIJGLFRPNFAG-UHFFFAOYSA-N -1 1 260.268 2.927 20 30 CFEDMM CCOc1ccccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188356482 393564201 /nfs/dbraw/zinc/56/42/01/393564201.db2.gz DYOGRIFZZOCIIS-UHFFFAOYSA-N -1 1 296.326 2.593 20 30 CFEDMM CC(=Cc1cccc(F)c1F)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193611716 393658130 /nfs/dbraw/zinc/65/81/30/393658130.db2.gz BKSWAGIDGLGJDW-VURMDHGXSA-N -1 1 287.269 2.789 20 30 CFEDMM C=CCN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000335645892 393686132 /nfs/dbraw/zinc/68/61/32/393686132.db2.gz AVHYKEXNTKRJAH-UHFFFAOYSA-N -1 1 276.723 2.852 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000416937074 393945690 /nfs/dbraw/zinc/94/56/90/393945690.db2.gz IPVYEYDICMESOE-CQSZACIVSA-N -1 1 296.392 2.655 20 30 CFEDMM CC(C)C1CCC([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000408113804 157379840 /nfs/dbraw/zinc/37/98/40/157379840.db2.gz AQPYPQMNZNJOOT-UHFFFAOYSA-N -1 1 296.392 2.644 20 30 CFEDMM C[C@@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344191266 287214501 /nfs/dbraw/zinc/21/45/01/287214501.db2.gz UKDQDSZOTALTMS-ZYHUDNBSSA-N -1 1 296.392 2.644 20 30 CFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000022475073 171388941 /nfs/dbraw/zinc/38/89/41/171388941.db2.gz MVPLGDBGCXDABC-UHFFFAOYSA-N -1 1 297.379 2.957 20 30 CFEDMM C=CCC1(NC(=O)c2nc3ccccc3c(=O)[n-]2)CCCC1 ZINC000664405127 413746183 /nfs/dbraw/zinc/74/61/83/413746183.db2.gz ZQWRBCGJFCMHPR-UHFFFAOYSA-N -1 1 297.358 2.542 20 30 CFEDMM N#CC(=C([O-])c1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000046706224 175398349 /nfs/dbraw/zinc/39/83/49/175398349.db2.gz BNIVNEAHJPAHGW-ZDUSSCGKSA-N -1 1 286.294 2.925 20 30 CFEDMM CCn1cc(C([O-])=C(C#N)c2ccncn2)c2ccccc21 ZINC000354470414 227006422 /nfs/dbraw/zinc/00/64/22/227006422.db2.gz RLBMZSORBWDMDX-ZDUSSCGKSA-N -1 1 290.326 2.941 20 30 CFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188207054 262284737 /nfs/dbraw/zinc/28/47/37/262284737.db2.gz YHWMXTSMMHACQB-LLVKDONJSA-N -1 1 266.300 2.755 20 30 CFEDMM CCOc1cc(C(=O)N[C@H](C#N)C(C)C)cc(Cl)c1[O-] ZINC000273919026 263020573 /nfs/dbraw/zinc/02/05/73/263020573.db2.gz FIPIDOUOQXHMDX-LLVKDONJSA-N -1 1 296.754 2.722 20 30 CFEDMM Cc1nn(C)cc1/C=C/C(=O)c1c(C)cc(C)cc1[O-] ZINC000282184335 263074828 /nfs/dbraw/zinc/07/48/28/263074828.db2.gz OVLJGZRJTUCHAU-AATRIKPKSA-N -1 1 270.332 2.947 20 30 CFEDMM CC[C@](C)(C#N)c1nc(-c2ccc([O-])cc2F)no1 ZINC000289209610 263108448 /nfs/dbraw/zinc/10/84/48/263108448.db2.gz ZFOAGEORKPMWEQ-CYBMUJFWSA-N -1 1 261.256 2.773 20 30 CFEDMM N#C[C@@H]1CC[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000295478439 263178101 /nfs/dbraw/zinc/17/81/01/263178101.db2.gz YMOGZAVXCXDVLU-RQJHMYQMSA-N -1 1 271.292 2.904 20 30 CFEDMM N#C[C@H](NC(=O)c1c([O-])cccc1F)C1CCCCC1 ZINC000187689863 263265587 /nfs/dbraw/zinc/26/55/87/263265587.db2.gz BNTMIVBMOIBKMA-LBPRGKRZSA-N -1 1 276.311 2.734 20 30 CFEDMM Cc1cnc(C(=O)NCC2CCSCC2)c([O-])c1 ZINC000331120956 264130243 /nfs/dbraw/zinc/13/02/43/264130243.db2.gz AYHUDPQMNYDRPA-UHFFFAOYSA-N -1 1 266.366 2.543 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000331232590 264152718 /nfs/dbraw/zinc/15/27/18/264152718.db2.gz JNPZCYVFRFSIQZ-HZMBPMFUSA-N -1 1 279.311 2.817 20 30 CFEDMM Cc1cnc(C(=O)NCC[C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000331200785 264160339 /nfs/dbraw/zinc/16/03/39/264160339.db2.gz MZOJFRKTPUUNPU-NWDGAFQWSA-N -1 1 278.352 2.605 20 30 CFEDMM C=CCN(CCOC)C(=O)c1cc2ccccc2cc1[O-] ZINC000189416913 264296893 /nfs/dbraw/zinc/29/68/93/264296893.db2.gz GMSJFVQOGNUYEX-UHFFFAOYSA-N -1 1 285.343 2.820 20 30 CFEDMM CCOc1cc(C(=O)NCC(C)(C)C#N)cc(Cl)c1[O-] ZINC000358001565 266394686 /nfs/dbraw/zinc/39/46/86/266394686.db2.gz JLHMWPLYHHDBGK-UHFFFAOYSA-N -1 1 296.754 2.724 20 30 CFEDMM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336406228 278503850 /nfs/dbraw/zinc/50/38/50/278503850.db2.gz RJYDINHTGFMKDN-AWEZNQCLSA-N -1 1 272.348 2.915 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCc3ccccc3CC2)cc1[O-] ZINC000527482477 281333050 /nfs/dbraw/zinc/33/30/50/281333050.db2.gz BGKJEHRNWFGPPL-UHFFFAOYSA-N -1 1 292.338 2.505 20 30 CFEDMM Cc1csc([N-]C(=O)c2ncc(F)cc2F)c1C#N ZINC000335992285 281736583 /nfs/dbraw/zinc/73/65/83/281736583.db2.gz LHTKKICNEFDOSI-UHFFFAOYSA-N -1 1 279.271 2.854 20 30 CFEDMM CCCc1cc(=O)[n-]c(S[C@H]2CC[C@@H](C#N)C2)n1 ZINC000278622058 328228650 /nfs/dbraw/zinc/22/86/50/328228650.db2.gz SPYZJDYWCYPFMD-KOLCDFICSA-N -1 1 263.366 2.919 20 30 CFEDMM CS[C@@H]1CCCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188702633 324019556 /nfs/dbraw/zinc/01/95/56/324019556.db2.gz XBKDQUXNJPSARG-CYBMUJFWSA-N -1 1 290.388 2.622 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCc3cc(F)ccc3C2)cc1[O-] ZINC000188751637 324019767 /nfs/dbraw/zinc/01/97/67/324019767.db2.gz ZVEAXFSTSDHYDM-UHFFFAOYSA-N -1 1 296.301 2.601 20 30 CFEDMM Cc1nc(-c2nc(-c3ccc([O-])cc3F)no2)ccc1C#N ZINC000350820003 324263368 /nfs/dbraw/zinc/26/33/68/324263368.db2.gz SRJSAGZLVSWLJU-UHFFFAOYSA-N -1 1 296.261 2.823 20 30 CFEDMM N#Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cn1 ZINC000350831239 324264967 /nfs/dbraw/zinc/26/49/67/324264967.db2.gz FHWQJUQVYBVLNI-UHFFFAOYSA-N -1 1 282.234 2.515 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000088475755 330376584 /nfs/dbraw/zinc/37/65/84/330376584.db2.gz APZWORTYZFLIPI-QMMMGPOBSA-N -1 1 276.720 2.523 20 30 CFEDMM CCc1nc(S[C@H](C)CCC#N)[n-]c(=O)c1C ZINC000566498658 327400532 /nfs/dbraw/zinc/40/05/32/327400532.db2.gz FNABQKXSQDZIQH-MRVPVSSYSA-N -1 1 251.355 2.837 20 30 CFEDMM C=C(C)CN(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442821799 330785477 /nfs/dbraw/zinc/78/54/77/330785477.db2.gz NESRDBSJIFPEOH-UHFFFAOYSA-N -1 1 269.728 2.702 20 30 CFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)ccc1C#N ZINC000235898365 525422885 /nfs/dbraw/zinc/42/28/85/525422885.db2.gz DXHULUXUNOHEFD-UHFFFAOYSA-N -1 1 297.339 2.539 20 30 CFEDMM O=C(/C=C\c1ccccc1-n1cncn1)c1ccc([O-])cc1 ZINC000745312782 574109432 /nfs/dbraw/zinc/10/94/32/574109432.db2.gz DZABDHYAXSBJLS-YFHOEESVSA-N -1 1 291.310 2.869 20 30 CFEDMM CNC(=S)[N-]c1ccccc1S[C@H](C)CC#N ZINC000731319707 574116565 /nfs/dbraw/zinc/11/65/65/574116565.db2.gz GSTJKHMZEPVFNY-SECBINFHSA-N -1 1 265.407 2.997 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2c(C)cccc2C)n1 ZINC000755463709 574163429 /nfs/dbraw/zinc/16/34/29/574163429.db2.gz KLGXPCXNUPIJOA-UHFFFAOYSA-N -1 1 256.309 2.553 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000732763530 574170456 /nfs/dbraw/zinc/17/04/56/574170456.db2.gz ZRKMIFNVTCMMJI-GZMMTYOYSA-N -1 1 272.308 2.653 20 30 CFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCc3sccc3C2)cc1 ZINC000739104489 574198979 /nfs/dbraw/zinc/19/89/79/574198979.db2.gz BDKMMWTWWKSYLI-OAHLLOKOSA-N -1 1 298.367 2.804 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cnn3ccccc13)O2 ZINC000729643677 574225733 /nfs/dbraw/zinc/22/57/33/574225733.db2.gz GFJOCXRRTYDVLK-VIZOYTHASA-N -1 1 292.294 2.965 20 30 CFEDMM C[C@H]1CCC[C@@](C#N)([N-]C(=O)C(F)(F)c2nccs2)C1 ZINC000756745740 574260484 /nfs/dbraw/zinc/26/04/84/574260484.db2.gz RJXKPSDVGYLQCF-JOYOIKCWSA-N -1 1 299.346 2.824 20 30 CFEDMM C=CCN(Cn1[n-]c(-c2ccccn2)nc1=S)C(C)C ZINC000735296355 574319204 /nfs/dbraw/zinc/31/92/04/574319204.db2.gz SDDCNVVICMVHSZ-UHFFFAOYSA-N -1 1 289.408 2.857 20 30 CFEDMM CC(C=CC(=O)c1c([O-])cc(C)oc1=O)=Cc1ccccc1 ZINC000750895075 574360189 /nfs/dbraw/zinc/36/01/89/574360189.db2.gz DNZLXYDSFMBATJ-OWMGPJMKSA-N -1 1 296.322 2.861 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccccc2C2CC2)n1 ZINC000751128104 574369634 /nfs/dbraw/zinc/36/96/34/574369634.db2.gz WHJVIDCQAVOERH-UHFFFAOYSA-N -1 1 268.320 2.814 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CC(C)(C)Oc3ccccc32)n1 ZINC000751516000 574378205 /nfs/dbraw/zinc/37/82/05/574378205.db2.gz CKUOLBOHOBXNRW-UHFFFAOYSA-N -1 1 298.346 2.868 20 30 CFEDMM COC(=O)c1cc(/C=C2\CCc3cc([O-])ccc3C2=O)c[nH]1 ZINC000753144491 574399259 /nfs/dbraw/zinc/39/92/59/574399259.db2.gz MFTLXDZJHYSELK-WUXMJOGZSA-N -1 1 297.310 2.719 20 30 CFEDMM CC(C)CNN=Cc1cccc([O-])c1Br ZINC000841631101 618148250 /nfs/dbraw/zinc/14/82/50/618148250.db2.gz NOLHYIWOJQROBC-UHFFFAOYSA-N -1 1 271.158 2.734 20 30 CFEDMM N#Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000819100204 597332623 /nfs/dbraw/zinc/33/26/23/597332623.db2.gz BUSMWHIOVCAHPA-UHFFFAOYSA-N -1 1 284.290 2.685 20 30 CFEDMM O=C([O-])c1cc(CN=Nc2cccc(Cl)c2F)c[nH]1 ZINC000814818674 601797134 /nfs/dbraw/zinc/79/71/34/601797134.db2.gz DFRRUMVJZYPOTO-UHFFFAOYSA-N -1 1 281.674 2.951 20 30 CFEDMM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1 ZINC000757471307 601825760 /nfs/dbraw/zinc/82/57/60/601825760.db2.gz ASDSCINYCFUUIX-BAQGIRSFSA-N -1 1 284.267 2.692 20 30 CFEDMM C=CCN(Cc1c[nH]c(C(=O)[O-])c1)Cc1cccc(C#N)c1 ZINC000833376278 604607536 /nfs/dbraw/zinc/60/75/36/604607536.db2.gz QHBIKBBKVXFTPR-UHFFFAOYSA-N -1 1 295.342 2.773 20 30 CFEDMM Cc1ccoc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822379948 607252273 /nfs/dbraw/zinc/25/22/73/607252273.db2.gz WSUAQMYTSVFMAQ-DUXPYHPUSA-N -1 1 286.316 2.726 20 30 CFEDMM C#CCN(Cc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC000804834148 617906409 /nfs/dbraw/zinc/90/64/09/617906409.db2.gz YUCXKHAGWIZEEQ-UHFFFAOYSA-N -1 1 283.302 2.807 20 30 CFEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900973318 620735321 /nfs/dbraw/zinc/73/53/21/620735321.db2.gz TWPCYJIEESZBPZ-CQSZACIVSA-N -1 1 298.342 2.919 20 30 CFEDMM C=CC[C@H]1CCN1C(=O)c1c([O-])cccc1Cl ZINC000890556580 617648973 /nfs/dbraw/zinc/64/89/73/617648973.db2.gz LYZXXRFJAQVRIS-VIFPVBQESA-N -1 1 251.713 2.836 20 30 CFEDMM CC[C@H](O)CNN=C(C)c1cc(Cl)c(Cl)cc1[O-] ZINC000811656577 617685459 /nfs/dbraw/zinc/68/54/59/617685459.db2.gz QBQKAXNYNGIPMT-QMMMGPOBSA-N -1 1 291.178 2.784 20 30 CFEDMM CCn1nccc1/C=C\C(=O)c1cc(C)ccc1[O-] ZINC000254966008 617699842 /nfs/dbraw/zinc/69/98/42/617699842.db2.gz YCCROCJIJDVTDA-ALCCZGGFSA-N -1 1 256.305 2.813 20 30 CFEDMM Cc1cc(C(F)(F)C(=O)[N-][C@H](C#N)C2CC2)cnc1Cl ZINC000932383522 617706480 /nfs/dbraw/zinc/70/64/80/617706480.db2.gz XKICSKUZRYDGOD-SNVBAGLBSA-N -1 1 299.708 2.554 20 30 CFEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1cnccn1 ZINC000255388522 617716962 /nfs/dbraw/zinc/71/69/62/617716962.db2.gz KUQFXROKXNLJRM-RQOWECAXSA-N -1 1 260.680 2.732 20 30 CFEDMM Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc([O-])c(F)c1 ZINC000255037308 617771432 /nfs/dbraw/zinc/77/14/32/617771432.db2.gz AUGSUEORLZDBDX-ALCCZGGFSA-N -1 1 274.295 2.778 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NNC[C@@H]1CCSC1 ZINC000901244778 620770952 /nfs/dbraw/zinc/77/09/52/620770952.db2.gz XCMJYOZNFXSKIT-JTQLQIEISA-N -1 1 268.357 2.516 20 30 CFEDMM C[C@H]1CC(NN=Cc2ccc([O-])c(F)c2F)C[C@H](C)O1 ZINC000901301020 620779831 /nfs/dbraw/zinc/77/98/31/620779831.db2.gz VMJHXTRDLBKUJP-IUCAKERBSA-N -1 1 284.306 2.550 20 30 CFEDMM O=C([C@@H]1CCCO1)N([O-])Cc1cccc2ccccc21 ZINC000901367482 620796192 /nfs/dbraw/zinc/79/61/92/620796192.db2.gz HXIRXZUZHJGMDQ-HNNXBMFYSA-N -1 1 271.316 2.737 20 30 CFEDMM O=C(COC1CC1)N([O-])Cc1cccc2ccccc21 ZINC000901370626 620796589 /nfs/dbraw/zinc/79/65/89/620796589.db2.gz BKJDUCXHVISTKA-UHFFFAOYSA-N -1 1 271.316 2.737 20 30 CFEDMM CO[C@H](C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379275 620799365 /nfs/dbraw/zinc/79/93/65/620799365.db2.gz YTTTYHHIMLOLGP-SSDOTTSWSA-N -1 1 278.135 2.746 20 30 CFEDMM Cc1ccc(NN=Cc2cccc(O[C@H](C)C(=O)[O-])c2)nc1 ZINC000727259327 618475811 /nfs/dbraw/zinc/47/58/11/618475811.db2.gz CQEOOODCRAFQDR-GFCCVEGCSA-N -1 1 299.330 2.688 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NNc2cccc(F)c2)c1 ZINC000726737166 619259410 /nfs/dbraw/zinc/25/94/10/619259410.db2.gz KPJOUMWFKIJZBS-UHFFFAOYSA-N -1 1 288.278 2.764 20 30 CFEDMM C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898095970 620337913 /nfs/dbraw/zinc/33/79/13/620337913.db2.gz KCYYMVOCOZKQEA-UHFFFAOYSA-N -1 1 293.367 2.906 20 30 CFEDMM C[C@]1(C#N)CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000898981711 620512859 /nfs/dbraw/zinc/51/28/59/620512859.db2.gz RPAKZVDAWIMBGH-QGZVFWFLSA-N -1 1 296.326 2.627 20 30 CFEDMM Cn1cc(/C=C\C(=O)c2ccc([O-])cc2)c(C2CC2)n1 ZINC000899334428 620545405 /nfs/dbraw/zinc/54/54/05/620545405.db2.gz ZMISQWUHBMQRJR-TWGQIWQCSA-N -1 1 268.316 2.899 20 30 CFEDMM CCn1cc(/C=C2/Cc3cc([O-])ccc3C2=O)c(C)n1 ZINC000899367857 620555446 /nfs/dbraw/zinc/55/54/46/620555446.db2.gz BWGRMVAHKZQVHG-GHXNOFRVSA-N -1 1 268.316 2.739 20 30 CFEDMM CC(C)n1cncc1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000901489487 620834224 /nfs/dbraw/zinc/83/42/24/620834224.db2.gz AETLXZQXKWQJIJ-SDQBBNPISA-N -1 1 268.316 2.992 20 30 CFEDMM C=CC[C@H](C)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000903607869 621401936 /nfs/dbraw/zinc/40/19/36/621401936.db2.gz NOIVLENEZNHGRP-NSHDSACASA-N -1 1 275.348 2.716 20 30 CFEDMM C=CCCCCCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908185224 622201976 /nfs/dbraw/zinc/20/19/76/622201976.db2.gz IWAJEXAYEXWPTE-UHFFFAOYSA-N -1 1 289.379 2.926 20 30 CFEDMM CC(C)C#CC(=O)Nc1cccc([O-])c1Br ZINC000908708600 622266944 /nfs/dbraw/zinc/26/69/44/622266944.db2.gz XVOYONBCZHVCAC-UHFFFAOYSA-N -1 1 282.137 2.753 20 30 CFEDMM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000908657088 622255710 /nfs/dbraw/zinc/25/57/10/622255710.db2.gz GRNUOYWZKNUIJQ-CYBMUJFWSA-N -1 1 291.322 2.671 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909972876 622377935 /nfs/dbraw/zinc/37/79/35/622377935.db2.gz RHVQIUMFCTWCMB-SDBXPKJASA-N -1 1 283.274 2.590 20 30 CFEDMM C=C(C)[C@H](CC(=O)Nc1cc([O-])c(F)cc1F)OCC ZINC000909984033 622381423 /nfs/dbraw/zinc/38/14/23/622381423.db2.gz HRQSRTMTTLOYFD-ZDUSSCGKSA-N -1 1 285.290 2.980 20 30 CFEDMM C=CCC1(C(=O)Nc2cc([O-])c(F)cc2F)CCOCC1 ZINC000909987934 622382065 /nfs/dbraw/zinc/38/20/65/622382065.db2.gz ONDODAHMIOKDHY-UHFFFAOYSA-N -1 1 297.301 2.982 20 30 CFEDMM C#CC1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000911548574 622526526 /nfs/dbraw/zinc/52/65/26/622526526.db2.gz MPAFAMSMIZMRNG-UHFFFAOYSA-N -1 1 298.317 2.565 20 30 CFEDMM C=CCCC(C)(C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000912728667 622769617 /nfs/dbraw/zinc/76/96/17/622769617.db2.gz IXWUBVXALPHTTL-UHFFFAOYSA-N -1 1 275.352 2.534 20 30 CFEDMM COc1cc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)on1 ZINC000821022783 622823665 /nfs/dbraw/zinc/82/36/65/622823665.db2.gz UTDDLUZCLGEBAK-HWKANZROSA-N -1 1 279.679 2.938 20 30 CFEDMM Cc1ccc2ncc(/C=C/C(=O)c3cc(O)ccc3[O-])n2c1 ZINC000151445793 622910277 /nfs/dbraw/zinc/91/02/77/622910277.db2.gz KTROJCIADSPWRJ-HWKANZROSA-N -1 1 294.310 2.950 20 30 CFEDMM C#C[C@H](CC)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000822407585 623097460 /nfs/dbraw/zinc/09/74/60/623097460.db2.gz QBZXYSBTBNLHSH-LLVKDONJSA-N -1 1 273.229 2.585 20 30 CFEDMM CC(=NN(C)[C@H](C)CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000842540246 623485647 /nfs/dbraw/zinc/48/56/47/623485647.db2.gz IHSIPBWFFRWFLP-SSDOTTSWSA-N -1 1 291.178 2.736 20 30 CFEDMM CCn1nnc(C)c1/C=C1\CCc2cc([O-])ccc2C1=O ZINC000834421684 625667694 /nfs/dbraw/zinc/66/76/94/625667694.db2.gz SYDKBJMMLWEWPY-FMIVXFBMSA-N -1 1 283.331 2.525 20 30 CFEDMM CC(=NN[C@@H](C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000835002907 623927099 /nfs/dbraw/zinc/92/70/99/623927099.db2.gz VFLREABBCMGSIF-ZETCQYMHSA-N -1 1 264.222 2.796 20 30 CFEDMM C=CCOc1ccccc1C=C1SC(=O)[N-]C1=O ZINC000915840206 624131273 /nfs/dbraw/zinc/13/12/73/624131273.db2.gz UWPGCWAWMUMYIY-DHZHZOJOSA-N -1 1 261.302 2.575 20 30 CFEDMM CCCCCCCC[C@@H](C)C(=O)Nc1nnn[n-]1 ZINC000828074648 624164740 /nfs/dbraw/zinc/16/47/40/624164740.db2.gz VJPJSFGSUNAFJY-SNVBAGLBSA-N -1 1 253.350 2.525 20 30 CFEDMM CCCCCCCC[C@@H](C)C(=O)Nc1nn[n-]n1 ZINC000828074648 624164746 /nfs/dbraw/zinc/16/47/46/624164746.db2.gz VJPJSFGSUNAFJY-SNVBAGLBSA-N -1 1 253.350 2.525 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(C(F)(F)F)cc2)n1 ZINC000916241429 624229322 /nfs/dbraw/zinc/22/93/22/624229322.db2.gz AMEKKQGCYKDDLB-UHFFFAOYSA-N -1 1 296.252 2.955 20 30 CFEDMM C=CCOc1ccccc1C=NNc1nc(C)cc(=O)[n-]1 ZINC000916241518 624230022 /nfs/dbraw/zinc/23/00/22/624230022.db2.gz HRGQNYBUUSAXHX-UHFFFAOYSA-N -1 1 284.319 2.501 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(C)ccc1C ZINC000916241563 624231152 /nfs/dbraw/zinc/23/11/52/624231152.db2.gz KVYNTPCBHHPXGE-UHFFFAOYSA-N -1 1 270.336 2.944 20 30 CFEDMM CCOc1ccccc1C(C)=NNc1nc(C)cc(=O)[n-]1 ZINC000916241783 624231168 /nfs/dbraw/zinc/23/11/68/624231168.db2.gz UCWJGSRNZHVUOK-UHFFFAOYSA-N -1 1 286.335 2.725 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(C)s1 ZINC000917022146 624299432 /nfs/dbraw/zinc/29/94/32/624299432.db2.gz CJCVDTPDCZWSRM-UHFFFAOYSA-N -1 1 262.338 2.697 20 30 CFEDMM C[C@@H](C#N)CN(C[C@@H](C)C(=O)c1ccc([O-])cc1)C1CC1 ZINC000930086197 624586586 /nfs/dbraw/zinc/58/65/86/624586586.db2.gz KZPQRUYIPDBTKH-QWHCGFSZSA-N -1 1 286.375 2.835 20 30 CFEDMM COc1c(C)cc(C=NNc2nc(C)cc(=O)[n-]2)cc1C ZINC000920359369 624714471 /nfs/dbraw/zinc/71/44/71/624714471.db2.gz KRYOUUFJJCWFBK-UHFFFAOYSA-N -1 1 286.335 2.562 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cnc(C(C)(C)C)s2)n1 ZINC000920359285 624715026 /nfs/dbraw/zinc/71/50/26/624715026.db2.gz KADZWAGVJXYLAX-UHFFFAOYSA-N -1 1 291.380 2.691 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCc3c2cccc3Cl)n1 ZINC000921255112 624826964 /nfs/dbraw/zinc/82/69/64/624826964.db2.gz WVDWNNROKYIDFG-UHFFFAOYSA-N -1 1 288.738 2.906 20 30 CFEDMM C=CCNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000834669469 625773428 /nfs/dbraw/zinc/77/34/28/625773428.db2.gz ZYWHURKMICSNKX-UHFFFAOYSA-N -1 1 272.270 2.771 20 30 CFEDMM C=C[C@](C)(CCOC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834824891 625882914 /nfs/dbraw/zinc/88/29/14/625882914.db2.gz AVUJAOXUTVKALL-OAHLLOKOSA-N -1 1 297.782 2.891 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NCC(C)(C)Oc2ccccc2)n1 ZINC000834912986 625920711 /nfs/dbraw/zinc/92/07/11/625920711.db2.gz UQQCFXOFJYLQAX-UHFFFAOYSA-N -1 1 286.335 2.746 20 30 CFEDMM CC(C)ON=Cc1cc(O)c([O-])c(Br)c1 ZINC000834999875 625949127 /nfs/dbraw/zinc/94/91/27/625949127.db2.gz HKUOGZCTAQUJSD-UHFFFAOYSA-N -1 1 274.114 2.619 20 30 CFEDMM C[C@H](NN=Cc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000834995303 625946428 /nfs/dbraw/zinc/94/64/28/625946428.db2.gz AKQKNGHXCHLVPM-LURJTMIESA-N -1 1 266.650 2.920 20 30 CFEDMM CC1(C)OCC[C@@H]1NN=Cc1cc(Cl)c(F)cc1[O-] ZINC000835020038 625965375 /nfs/dbraw/zinc/96/53/75/625965375.db2.gz CUXNZCQBQMSADE-LBPRGKRZSA-N -1 1 286.734 2.676 20 30 CFEDMM C#Cc1cccc(N(C)C(=O)c2ccc(OC)cc2[O-])c1 ZINC000103033665 626490006 /nfs/dbraw/zinc/49/00/06/626490006.db2.gz PGHWYAMLVKQYME-UHFFFAOYSA-N -1 1 281.311 2.659 20 30 CFEDMM Cc1cc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)n(C)n1 ZINC000789158134 626539196 /nfs/dbraw/zinc/53/91/96/626539196.db2.gz BKRYLLNOYLJZGV-XQRVVYSFSA-N -1 1 276.723 2.984 20 30 CFEDMM O=C(/C=C1/COc2ccc(F)cc21)c1cc(O)ccc1[O-] ZINC000757468368 626552973 /nfs/dbraw/zinc/55/29/73/626552973.db2.gz SYSPLPQHGFMKDL-UITAMQMPSA-N -1 1 286.258 2.896 20 30 CFEDMM O=C([O-])COc1ccc(/C=C\C(=O)c2ccccc2O)cc1 ZINC000757474907 626553263 /nfs/dbraw/zinc/55/32/63/626553263.db2.gz NHSNAEWLKDJTLJ-YFHOEESVSA-N -1 1 298.294 2.752 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cnc(C3CCC3)s2)n1 ZINC000760218712 626720684 /nfs/dbraw/zinc/72/06/84/626720684.db2.gz PORRYDGZRRDYSX-UHFFFAOYSA-N -1 1 289.364 2.661 20 30 CFEDMM N#CC(=C([O-])C=Cc1ccc2[nH]ccc2c1)c1ccncn1 ZINC000760358466 626740029 /nfs/dbraw/zinc/74/00/29/626740029.db2.gz PHQQOVDKZNHLGX-KWEXDPCDSA-N -1 1 288.310 2.848 20 30 CFEDMM Cc1ccc2c(c1)OCCCC2=NNc1nc(C)cc(=O)[n-]1 ZINC000763106302 626964038 /nfs/dbraw/zinc/96/40/38/626964038.db2.gz UWNSXDHXEUTPON-UHFFFAOYSA-N -1 1 298.346 2.788 20 30 CFEDMM O=C([O-])c1ccc(N=NCc2coc3ccccc23)nc1 ZINC000763371875 626983520 /nfs/dbraw/zinc/98/35/20/626983520.db2.gz LBDYENSKFLCAJA-UHFFFAOYSA-N -1 1 281.271 2.972 20 30 CFEDMM [O-]c1ccc(C=NOCC(F)(F)F)cc1Cl ZINC000764847212 627101493 /nfs/dbraw/zinc/10/14/93/627101493.db2.gz UREIAFKSMNEFOJ-UHFFFAOYSA-N -1 1 253.607 2.958 20 30 CFEDMM O=C([O-])c1ccc2c(C=NNc3ccc(F)cc3)n[nH]c2c1 ZINC000765549483 627146824 /nfs/dbraw/zinc/14/68/24/627146824.db2.gz WFIIAQCJCLDKNP-UHFFFAOYSA-N -1 1 298.277 2.846 20 30 CFEDMM C#CCOc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000768033108 627305184 /nfs/dbraw/zinc/30/51/84/627305184.db2.gz IGOPIZTWTJBNKK-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM C=CC[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccncc1 ZINC000768145401 627321381 /nfs/dbraw/zinc/32/13/81/627321381.db2.gz GQCLZKVMHKULLY-AWEZNQCLSA-N -1 1 286.306 2.974 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC[C@@H]2C(C)=CCC[C@H]2C)n1 ZINC000773179567 627792665 /nfs/dbraw/zinc/79/26/65/627792665.db2.gz DCHGSRRDMXPINA-ZYHUDNBSSA-N -1 1 260.341 2.881 20 30 CFEDMM Cc1nc(C)c(C(C)N=Nc2ccccn2)cc1C(=O)[O-] ZINC000776724510 628170871 /nfs/dbraw/zinc/17/08/71/628170871.db2.gz WQHXCQVODUULME-UHFFFAOYSA-N -1 1 284.319 2.628 20 30 CFEDMM O=C([O-])c1cc(CN=Nc2cc(Cl)ccn2)ccc1O ZINC000777443240 628226687 /nfs/dbraw/zinc/22/66/87/628226687.db2.gz QYSZYGDLUUUJLA-UHFFFAOYSA-N -1 1 291.694 2.585 20 30 CFEDMM O=C1CCOc2c(N=Cc3ccc(O)c([O-])c3O)cccc21 ZINC000779708385 628394813 /nfs/dbraw/zinc/39/48/13/628394813.db2.gz VFFDJMPTFHVLHU-UHFFFAOYSA-N -1 1 299.282 2.519 20 30 CFEDMM COC(=O)c1coc(/C=C2\Cc3cc([O-])ccc3C2=O)c1 ZINC000780188867 628437992 /nfs/dbraw/zinc/43/79/92/628437992.db2.gz ZURMUUAZMOAJRJ-UXBLZVDNSA-N -1 1 284.267 2.594 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ncccc1C ZINC000781597601 628563936 /nfs/dbraw/zinc/56/39/36/628563936.db2.gz WLTNSCMKNHYLPU-UHFFFAOYSA-N -1 1 285.303 2.543 20 30 CFEDMM [O-]c1c(C=NN[C@@H]2CCOC2)cc(Cl)c2ccccc12 ZINC000788452129 629068837 /nfs/dbraw/zinc/06/88/37/629068837.db2.gz JRIJRXOJODITPX-LLVKDONJSA-N -1 1 290.750 2.911 20 30 CFEDMM [O-]c1ccc(C=NN[C@@H](CO)c2ccccc2)cc1Cl ZINC000788461165 629071341 /nfs/dbraw/zinc/07/13/41/629071341.db2.gz QNANXYRQQYTTGO-AWEZNQCLSA-N -1 1 290.750 2.703 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccsc2Cl)c(=O)o1 ZINC000790207778 629220029 /nfs/dbraw/zinc/22/00/29/629220029.db2.gz DCDXNYXOHQQFJF-KXMPLOMGSA-N -1 1 296.731 2.630 20 30 CFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000790328099 629233143 /nfs/dbraw/zinc/23/31/43/629233143.db2.gz OCNGJRARPPJWPC-SNVBAGLBSA-N -1 1 289.759 2.559 20 30 CFEDMM C#Cc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000792635333 629440800 /nfs/dbraw/zinc/44/08/00/629440800.db2.gz QPBADZAUZCOXLH-UHFFFAOYSA-N -1 1 294.310 2.821 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC000794018337 629611040 /nfs/dbraw/zinc/61/10/40/629611040.db2.gz MPVUBCBXXNPVFZ-UHFFFAOYSA-N -1 1 294.298 2.808 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(C(F)F)cc2)n1 ZINC000794448261 629647958 /nfs/dbraw/zinc/64/79/58/629647958.db2.gz MYIBMMKAXYNUES-UHFFFAOYSA-N -1 1 278.262 2.874 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NCCc2cccc(Cl)c2)n1 ZINC000794856287 629696187 /nfs/dbraw/zinc/69/61/87/629696187.db2.gz GFWRXCHVUFMDPN-UHFFFAOYSA-N -1 1 276.727 2.784 20 30 CFEDMM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1ncccc1F ZINC000794986246 629718013 /nfs/dbraw/zinc/71/80/13/629718013.db2.gz ZEAHKVNSHCICKP-UHFFFAOYSA-N -1 1 284.294 2.606 20 30 CFEDMM C#CCCCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000801625767 630463256 /nfs/dbraw/zinc/46/32/56/630463256.db2.gz CPXMIKNEAWOHAQ-UHFFFAOYSA-N -1 1 288.734 2.737 20 30 CFEDMM N#CC(=C([O-])C=Cc1ccc[nH]1)c1cnc2ccccc2n1 ZINC000802227523 630514689 /nfs/dbraw/zinc/51/46/89/630514689.db2.gz IDWAKESIAGSSNY-GWJCSSMESA-N -1 1 288.310 2.848 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1C=NN[C@@H]1CCSC1 ZINC000807999906 630936795 /nfs/dbraw/zinc/93/67/95/630936795.db2.gz XKZONGBBTVIUTK-SSDOTTSWSA-N -1 1 274.748 2.614 20 30 CFEDMM C=CCO[N-]C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000837047861 630945513 /nfs/dbraw/zinc/94/55/13/630945513.db2.gz MCIVKCIKUUXVPG-NSHDSACASA-N -1 1 290.146 2.651 20 30 CFEDMM CC(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccn1 ZINC000809687772 631263824 /nfs/dbraw/zinc/26/38/24/631263824.db2.gz QMRAEJJUODCJNB-INIZCTEOSA-N -1 1 295.342 2.786 20 30 CFEDMM CC(=NN[C@@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841637330 631440441 /nfs/dbraw/zinc/44/04/41/631440441.db2.gz HUUOJGNICQJIAG-LLVKDONJSA-N -1 1 268.744 2.538 20 30 CFEDMM CC(=NN[C@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841637331 631440760 /nfs/dbraw/zinc/44/07/60/631440760.db2.gz HUUOJGNICQJIAG-NSHDSACASA-N -1 1 268.744 2.538 20 30 CFEDMM N#Cc1csc(/C=C2/Cc3cc([O-])ccc3C2=O)n1 ZINC000811693557 631607167 /nfs/dbraw/zinc/60/71/67/631607167.db2.gz KVGWWQIATIBHTH-UITAMQMPSA-N -1 1 268.297 2.543 20 30 CFEDMM CCCON=Cc1cccc([O-])c1Br ZINC000842556574 631664075 /nfs/dbraw/zinc/66/40/75/631664075.db2.gz RBJXZGWZUUVECU-UHFFFAOYSA-N -1 1 258.115 2.915 20 30 CFEDMM C#C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000812747667 631766841 /nfs/dbraw/zinc/76/68/41/631766841.db2.gz GNWNOODPBVHCIK-AWEZNQCLSA-N -1 1 287.265 2.775 20 30 CFEDMM CC(C)Cn1nccc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000843270662 631914886 /nfs/dbraw/zinc/91/48/86/631914886.db2.gz XMSXYJBLKAMYHR-HYXAFXHYSA-N -1 1 286.331 2.846 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cnn(CC(F)F)c1 ZINC000814190359 632029009 /nfs/dbraw/zinc/02/90/09/632029009.db2.gz RKSBLPQPECDIMF-QDEBKDIKSA-N -1 1 290.269 2.676 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC2CC(c3ccccc3)C2)n1 ZINC000814681669 632107651 /nfs/dbraw/zinc/10/76/51/632107651.db2.gz WZZIUXNMHDSYAS-UHFFFAOYSA-N -1 1 268.320 2.836 20 30 CFEDMM [O-]c1cccc(CN=Nc2nccnc2Cl)c1Cl ZINC000814850431 632138111 /nfs/dbraw/zinc/13/81/11/632138111.db2.gz NJGPPGJNXPVUQJ-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM [O-]c1cccc(CN=Nc2ncncc2Cl)c1Cl ZINC000814909642 632160627 /nfs/dbraw/zinc/16/06/27/632160627.db2.gz OAWUINQQWSIVIE-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM [O-]c1cccc(C=NNCCc2ccccn2)c1Cl ZINC000814924933 632166856 /nfs/dbraw/zinc/16/68/56/632166856.db2.gz IHXNHNNXSUHYAO-UHFFFAOYSA-N -1 1 275.739 2.607 20 30 CFEDMM [O-]c1cc(F)c(Cl)cc1C=NNCCc1ccncc1 ZINC000814925073 632167075 /nfs/dbraw/zinc/16/70/75/632167075.db2.gz OUCBLORCEXXKFN-UHFFFAOYSA-N -1 1 293.729 2.746 20 30 CFEDMM C=CCC(F)(F)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000815311804 632246688 /nfs/dbraw/zinc/24/66/88/632246688.db2.gz ZBWJPFWDEWKNKI-UHFFFAOYSA-N -1 1 298.285 2.892 20 30 CFEDMM Cc1c(NNC=C2CC2(F)F)cccc1C(=O)[O-] ZINC000844622303 632265888 /nfs/dbraw/zinc/26/58/88/632265888.db2.gz BRZATDVBXCBGNQ-QMMMGPOBSA-N -1 1 254.236 2.746 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C3CC3)c2)c(=O)o1 ZINC000817342258 632609982 /nfs/dbraw/zinc/60/99/82/632609982.db2.gz RKKODJKBRMMPPP-JZLODUJNSA-N -1 1 296.322 2.792 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C3CC3)c2)c(=O)o1 ZINC000817342255 632609989 /nfs/dbraw/zinc/60/99/89/632609989.db2.gz RKKODJKBRMMPPP-CTEOGUNLSA-N -1 1 296.322 2.792 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1ccccc1OC(C)C ZINC000846550687 632738659 /nfs/dbraw/zinc/73/86/59/632738659.db2.gz OJIULONSUGBKCY-LBPRGKRZSA-N -1 1 263.337 2.639 20 30 CFEDMM CCCCCCCCC(=O)Nc1[nH]cnc1C(=O)OC ZINC000847018681 632883756 /nfs/dbraw/zinc/88/37/56/632883756.db2.gz QXBROHCCWJOLNO-UHFFFAOYSA-N -1 1 281.356 2.885 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cc2n(n1)CCCC2 ZINC000848641250 633306846 /nfs/dbraw/zinc/30/68/46/633306846.db2.gz BDMJDDJIYNEKJV-XYOKQWHBSA-N -1 1 280.327 2.747 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1cc(C)c(C#N)cn1 ZINC000848700017 633320108 /nfs/dbraw/zinc/32/01/08/633320108.db2.gz NRKJPQXAXOFRGV-UHFFFAOYSA-N -1 1 295.408 2.974 20 30 CFEDMM Cn1ncc(C2CC2)c1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000849247867 633590597 /nfs/dbraw/zinc/59/05/97/633590597.db2.gz XVUDESXRSJTGTR-FNORWQNLSA-N -1 1 284.315 2.605 20 30 CFEDMM C=C(Cl)CSCCC[N-]C(=O)C(F)(F)F ZINC000853782807 635105609 /nfs/dbraw/zinc/10/56/09/635105609.db2.gz APSLFSKQHRIWMJ-UHFFFAOYSA-N -1 1 261.696 2.541 20 30 CFEDMM C=CCN(C(=O)c1c([O-])cccc1Cl)[C@@H](C)COC ZINC000855371979 635522284 /nfs/dbraw/zinc/52/22/84/635522284.db2.gz NQVIHMFDLUOCTA-JTQLQIEISA-N -1 1 283.755 2.709 20 30 CFEDMM C#CC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000862562500 637429491 /nfs/dbraw/zinc/42/94/91/637429491.db2.gz ZBURGQAPSLBWKG-SNVBAGLBSA-N -1 1 263.724 2.531 20 30 CFEDMM C#CC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000862574195 637439255 /nfs/dbraw/zinc/43/92/55/637439255.db2.gz HETZSLFMUCFISX-JTQLQIEISA-N -1 1 297.276 2.896 20 30 CFEDMM C#CCC(C)(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476498 637672448 /nfs/dbraw/zinc/67/24/48/637672448.db2.gz HELXHRMEMRTMOA-UHFFFAOYSA-N -1 1 283.331 2.566 20 30 CFEDMM C#CC[C@H](CCOC)NC(=O)c1ccc2ccccc2c1[O-] ZINC000863790293 637780799 /nfs/dbraw/zinc/78/07/99/637780799.db2.gz DQPUFQYWSZFTCC-CQSZACIVSA-N -1 1 297.354 2.704 20 30 CFEDMM CC(C)CN(CCC#N)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000865027377 638164640 /nfs/dbraw/zinc/16/46/40/638164640.db2.gz NHXLFAZXJJYPIT-UHFFFAOYSA-N -1 1 294.782 2.986 20 30 CFEDMM C[C@@H](Nc1cnn(CCF)c1)c1cccc(C#N)c1[O-] ZINC000866397007 638813935 /nfs/dbraw/zinc/81/39/35/638813935.db2.gz DVHCDSZOGWIBLV-SNVBAGLBSA-N -1 1 274.299 2.603 20 30 CFEDMM CC[C@H]1CCC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690245 639772348 /nfs/dbraw/zinc/77/23/48/639772348.db2.gz LEZQBCKTQAQHLZ-GXTWGEPZSA-N -1 1 258.321 2.795 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@H]2CCCC3(CC3)C2)c1 ZINC000870689350 639772394 /nfs/dbraw/zinc/77/23/94/639772394.db2.gz ABOYIEUGOIBEDJ-ZDUSSCGKSA-N -1 1 270.332 2.939 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)C2CCC3(CC3)CC2)c1 ZINC000870691324 639773706 /nfs/dbraw/zinc/77/37/06/639773706.db2.gz NUXSORRJFBWMEN-UHFFFAOYSA-N -1 1 270.332 2.939 20 30 CFEDMM C[C@@H]1CCC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870693030 639775953 /nfs/dbraw/zinc/77/59/53/639775953.db2.gz VULOPHSYUHEAJX-YPMHNXCESA-N -1 1 258.321 2.795 20 30 CFEDMM C=C(C)CCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000873030419 641989073 /nfs/dbraw/zinc/98/90/73/641989073.db2.gz FXZMEVZGRBPTDC-UHFFFAOYSA-N -1 1 268.744 2.811 20 30 CFEDMM COc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c(O)c1 ZINC000126465741 643234421 /nfs/dbraw/zinc/23/44/21/643234421.db2.gz UXJRZEHMPBSCTQ-VMPITWQZSA-N -1 1 298.294 2.995 20 30 CFEDMM COc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1C#N ZINC000132567030 645936582 /nfs/dbraw/zinc/93/65/82/645936582.db2.gz PALIECQLZYOBKK-APSNUPSMSA-N -1 1 293.278 2.889 20 30 CFEDMM CC(=NNC[C@@H]1CCSC1)c1c([O-])cccc1F ZINC000884469558 646373845 /nfs/dbraw/zinc/37/38/45/646373845.db2.gz NVXARPNESVBPEB-JTQLQIEISA-N -1 1 268.357 2.598 20 30 CFEDMM [O-]c1ccc(C=NNCC2CCCC2)c(F)c1F ZINC000884469335 646374475 /nfs/dbraw/zinc/37/44/75/646374475.db2.gz DEDLLRJRXNJYQV-UHFFFAOYSA-N -1 1 254.280 2.784 20 30 CFEDMM CC[C@H](C#N)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680733 646736750 /nfs/dbraw/zinc/73/67/50/646736750.db2.gz XIVLSEJTAANVPO-ZCFIWIBFSA-N -1 1 256.664 2.673 20 30 CFEDMM C=CCN(CCC#N)C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000930541050 649270161 /nfs/dbraw/zinc/27/01/61/649270161.db2.gz JNTJSHPISGDZGI-CYBMUJFWSA-N -1 1 272.348 2.613 20 30 CFEDMM CC[C@@H](C#N)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000931330552 649410719 /nfs/dbraw/zinc/41/07/19/649410719.db2.gz IYDOWDXVEBSALJ-VIFPVBQESA-N -1 1 287.697 2.554 20 30 CFEDMM CCc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1 ZINC000254293280 651084224 /nfs/dbraw/zinc/08/42/24/651084224.db2.gz SHJYGWSXURLFPK-UHFFFAOYSA-N -1 1 270.336 2.889 20 30 CFEDMM CCOC(=O)c1cnoc1[N-]c1ccc(C#N)c(C)c1 ZINC001210805549 770376959 /nfs/dbraw/zinc/37/69/59/770376959.db2.gz DXLZPXLBXLMSBZ-UHFFFAOYSA-N -1 1 271.276 2.775 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cnn2ccccc12 ZINC000588535223 770951129 /nfs/dbraw/zinc/95/11/29/770951129.db2.gz WGDLQLDVXJLFJE-XYOKQWHBSA-N -1 1 276.295 2.862 20 30 CFEDMM C=C[C@H](CCCCCC)OCC[P@](=O)([O-])O ZINC001224602428 775224114 /nfs/dbraw/zinc/22/41/14/775224114.db2.gz RAOQRVWSJULFHV-LLVKDONJSA-N -1 1 250.275 2.706 20 30 CFEDMM C=CCOc1ccccc1[C@H](C)OCC[P@](=O)([O-])O ZINC001224603401 775224879 /nfs/dbraw/zinc/22/48/79/775224879.db2.gz XZEBPIMKHNPIIN-NSHDSACASA-N -1 1 286.264 2.507 20 30 CFEDMM CCCCOC(=O)[C@@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226114794 775704150 /nfs/dbraw/zinc/70/41/50/775704150.db2.gz QKIHJMLYEHLSTE-HGLKBHAMSA-N -1 1 265.309 2.605 20 30 CFEDMM [O-]/N=C/c1ccnc(O[C@@H](c2ccccc2)C(F)(F)F)n1 ZINC001226253552 775756409 /nfs/dbraw/zinc/75/64/09/775756409.db2.gz KILYSGDMARNFJR-SXUYUPPPSA-N -1 1 297.236 2.967 20 30 CFEDMM CCCCC(=O)[C@H](CCCC)Oc1nccc(/C=N/[O-])n1 ZINC001226256273 775757334 /nfs/dbraw/zinc/75/73/34/775757334.db2.gz PLVYNFLGPHYAME-MPMPPSQCSA-N -1 1 293.367 2.982 20 30 CFEDMM C=CCC(CC=C)Oc1[n-]c(=O)ncc1Br ZINC001227132972 776109565 /nfs/dbraw/zinc/10/95/65/776109565.db2.gz BWVKMZZMVQGABP-UHFFFAOYSA-N -1 1 285.141 2.844 20 30 CFEDMM C[C@H](C#C[Si](C)(C)C)Oc1[n-]c(=S)ncc1F ZINC001227384760 776191002 /nfs/dbraw/zinc/19/10/02/776191002.db2.gz AYUUWCXLVZMUBE-MRVPVSSYSA-N -1 1 270.405 2.553 20 30 CFEDMM N#Cc1c([O-])ccc(O[C@@H]2CCCc3cccnc32)c1C#N ZINC001227614964 776243831 /nfs/dbraw/zinc/24/38/31/776243831.db2.gz NVWJUOQCWSHWGC-MRXNPFEDSA-N -1 1 291.310 2.987 20 30 CFEDMM C[C@@H](Oc1ccc([O-])c(C#N)c1C#N)c1cccnc1 ZINC001227615357 776244114 /nfs/dbraw/zinc/24/41/14/776244114.db2.gz TXNFOFRDXTXIIZ-SNVBAGLBSA-N -1 1 265.272 2.671 20 30 CFEDMM C#C[C@@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccccc1 ZINC001227619689 776247113 /nfs/dbraw/zinc/24/71/13/776247113.db2.gz TZACDQXDHYWJST-MRXNPFEDSA-N -1 1 274.279 2.889 20 30 CFEDMM C#C[C@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1ccccc1 ZINC001227709604 776265804 /nfs/dbraw/zinc/26/58/04/776265804.db2.gz DSRAXUIHUDOPBK-GWCFXTLKSA-N -1 1 282.299 2.527 20 30 CFEDMM N#C[C@@H]1CC[C@@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227880298 776316516 /nfs/dbraw/zinc/31/65/16/776316516.db2.gz AANGYONWNVRLLJ-RKDXNWHRSA-N -1 1 272.333 2.758 20 30 CFEDMM CSc1nc(O[C@@H](C)c2ccccc2C#N)cc(=O)[n-]1 ZINC001228094591 776396424 /nfs/dbraw/zinc/39/64/24/776396424.db2.gz KWGOPVGYWIHKSQ-VIFPVBQESA-N -1 1 287.344 2.916 20 30 CFEDMM O=C(c1ccccc1)c1ccc([O-])cc1O[C@H]1C=CC(=O)C1 ZINC001228186327 776417572 /nfs/dbraw/zinc/41/75/72/776417572.db2.gz PZTVQWYPHIHFNR-HNNXBMFYSA-N -1 1 294.306 2.900 20 30 CFEDMM C#CC[C@@H](CC)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228556740 776520354 /nfs/dbraw/zinc/52/03/54/776520354.db2.gz QWWLFGOQVKURHA-LLVKDONJSA-N -1 1 262.305 2.871 20 30 CFEDMM CCC1=C(Oc2cc3c(cc2[O-])CCC3=O)C(=O)[C@H](C)O1 ZINC001228854767 776635397 /nfs/dbraw/zinc/63/53/97/776635397.db2.gz VZOJRIMRUZCHNC-QMMMGPOBSA-N -1 1 288.299 2.509 20 30 CFEDMM C#CC[C@@H](CC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229216723 776754376 /nfs/dbraw/zinc/75/43/76/776754376.db2.gz UEVABSJKQHPCLU-LLVKDONJSA-N -1 1 288.299 2.688 20 30 CFEDMM N#CC1CCC(Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229397482 776799875 /nfs/dbraw/zinc/79/98/75/776799875.db2.gz IOUHKFPNPUPMKM-UHFFFAOYSA-N -1 1 262.265 2.762 20 30 CFEDMM CCC1=C(Oc2ccccc2/C(C)=N/[O-])C(=O)[C@@H](C)O1 ZINC001229737031 776883664 /nfs/dbraw/zinc/88/36/64/776883664.db2.gz ODRCGNKAHWLEJI-VCBXAZPMSA-N -1 1 275.304 2.873 20 30 CFEDMM COC(=O)[C@@H]1CC[C@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229736696 776883766 /nfs/dbraw/zinc/88/37/66/776883766.db2.gz HURLBTGIRVQRDJ-GIBJHAEVSA-N -1 1 277.320 2.605 20 30 CFEDMM CCC1=C(Oc2ccccc2/C(C)=N/[O-])C(=O)[C@H](C)O1 ZINC001229737030 776883780 /nfs/dbraw/zinc/88/37/80/776883780.db2.gz ODRCGNKAHWLEJI-JSJZUPIVSA-N -1 1 275.304 2.873 20 30 CFEDMM CCOC(=O)[C@H]1C[C@@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229739489 776884155 /nfs/dbraw/zinc/88/41/55/776884155.db2.gz XOBMUYHLIBMXTG-MTCUZCOSSA-N -1 1 277.320 2.605 20 30 CFEDMM C/C(=N\[O-])c1ccccc1OC1CCC2(CC1)OCCO2 ZINC001229741636 776884812 /nfs/dbraw/zinc/88/48/12/776884812.db2.gz RGXMONYWWFZHKY-SFQUDFHCSA-N -1 1 291.347 2.949 20 30 CFEDMM N#CC[C@H]1CCCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232935236 777725411 /nfs/dbraw/zinc/72/54/11/777725411.db2.gz OLRAVCRCFUAUMR-SNVBAGLBSA-N -1 1 266.291 2.796 20 30 CFEDMM CC1(C#N)CCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233039179 777774636 /nfs/dbraw/zinc/77/46/36/777774636.db2.gz OZCAAHCHJXEBMN-UHFFFAOYSA-N -1 1 265.744 2.566 20 30 CFEDMM N#C[C@H]1CCCCN1Cc1c([O-])ccc(F)c1F ZINC001233334954 777892263 /nfs/dbraw/zinc/89/22/63/777892263.db2.gz AZONWKLICQWVGR-SECBINFHSA-N -1 1 252.264 2.548 20 30 CFEDMM C#C[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500115 777971068 /nfs/dbraw/zinc/97/10/68/777971068.db2.gz QEEKAURZMQSRFT-LURJTMIESA-N -1 1 265.656 2.525 20 30 CFEDMM C#CC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500423 777971157 /nfs/dbraw/zinc/97/11/57/777971157.db2.gz RZMUCNYXYKZZGO-SSDOTTSWSA-N -1 1 279.683 2.915 20 30 CFEDMM C#C[C@H](CC(C)C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234044914 778150283 /nfs/dbraw/zinc/15/02/83/778150283.db2.gz QMRWMZYIKAFBIH-LLVKDONJSA-N -1 1 286.331 2.776 20 30 CFEDMM C#C[C@H](CC(C)C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234044914 778150287 /nfs/dbraw/zinc/15/02/87/778150287.db2.gz QMRWMZYIKAFBIH-LLVKDONJSA-N -1 1 286.331 2.776 20 30 CFEDMM C=C[C@H](CCCC)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234565836 778253931 /nfs/dbraw/zinc/25/39/31/778253931.db2.gz PNSFCFVSMXDESU-SNVBAGLBSA-N -1 1 293.367 2.528 20 30 CFEDMM [O-]N=Cc1ccccc1OC[C@H]1CC[C@@]2(CCCCO2)O1 ZINC001234820841 778301488 /nfs/dbraw/zinc/30/14/88/778301488.db2.gz ZBAAKSONNCEDMN-GDBMZVCRSA-N -1 1 291.347 2.949 20 30 CFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccco2)cc1 ZINC000128359432 778505260 /nfs/dbraw/zinc/50/52/60/778505260.db2.gz NQWVRJBBWFGGKR-ZDUSSCGKSA-N -1 1 282.299 2.803 20 30 CFEDMM COc1nc(C)nc(-c2cc([O-])cc(Cl)c2)c1C#N ZINC001235899048 778598096 /nfs/dbraw/zinc/59/80/96/778598096.db2.gz BDUTYFSRJBSTLA-UHFFFAOYSA-N -1 1 275.695 2.691 20 30 CFEDMM COc1cc([O-])c(CN2CCC[C@@H](C#N)C2)c(Cl)c1 ZINC001236803490 778945005 /nfs/dbraw/zinc/94/50/05/778945005.db2.gz OHSQLNTZLWHBPA-JTQLQIEISA-N -1 1 280.755 2.790 20 30 CFEDMM CC1(C#N)CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415880 779041439 /nfs/dbraw/zinc/04/14/39/779041439.db2.gz MCIHKPNFSDCZTK-UHFFFAOYSA-N -1 1 270.254 2.756 20 30 CFEDMM N#C[C@@H]1CCN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238309538 779292970 /nfs/dbraw/zinc/29/29/70/779292970.db2.gz QEKFXNNWAYXLGR-QMMMGPOBSA-N -1 1 299.143 2.639 20 30 CFEDMM N#Cc1ncc(-c2ccc3c(c2)CC/C3=N/[O-])cc1F ZINC001238993336 779436418 /nfs/dbraw/zinc/43/64/18/779436418.db2.gz XEUMPHPAIAMARK-RGEXLXHISA-N -1 1 267.263 2.884 20 30 CFEDMM [O-]/N=C/c1ccc(-c2cnn(Cc3ccncc3)c2)cc1F ZINC001239051349 779452805 /nfs/dbraw/zinc/45/28/05/779452805.db2.gz PYTNGPRJVJBSHO-AWQFTUOYSA-N -1 1 296.305 2.941 20 30 CFEDMM CC(=O)c1cc(-c2nc(-c3ccc(C#N)c(C)c3)no2)[nH]n1 ZINC001212429907 780173004 /nfs/dbraw/zinc/17/30/04/780173004.db2.gz QEGXHWPSWIQWOT-UHFFFAOYSA-N -1 1 293.286 2.509 20 30 CFEDMM CC(=O)c1cc(-c2nc(-c3ccc(C#N)c(C)c3)no2)n[n-]1 ZINC001212429907 780173010 /nfs/dbraw/zinc/17/30/10/780173010.db2.gz QEGXHWPSWIQWOT-UHFFFAOYSA-N -1 1 293.286 2.509 20 30 CFEDMM CC(=O)c1cc(-c2nc(-c3ccc(C#N)c(C)c3)no2)[n-]n1 ZINC001212429907 780173012 /nfs/dbraw/zinc/17/30/12/780173012.db2.gz QEGXHWPSWIQWOT-UHFFFAOYSA-N -1 1 293.286 2.509 20 30 CFEDMM C/C(=N\C#N)N(C)Cc1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240693395 780364453 /nfs/dbraw/zinc/36/44/53/780364453.db2.gz QDCONZBYOGGHDS-RGVLZGJSSA-N -1 1 298.321 2.925 20 30 CFEDMM N#Cc1c[nH]c2ccnc(-c3ccc(C(=O)[O-])s3)c12 ZINC001240843525 780470444 /nfs/dbraw/zinc/47/04/44/780470444.db2.gz HKOLRJJDBWOMGS-UHFFFAOYSA-N -1 1 269.285 2.861 20 30 CFEDMM COC(=O)c1cc(C#N)cc(-c2cc([O-])cc(F)c2)c1 ZINC001241270866 780747692 /nfs/dbraw/zinc/74/76/92/780747692.db2.gz DJSMGICPXXJQMJ-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM N#Cc1c[nH]c2nccc(-c3cc([O-])cc(F)c3)c12 ZINC001241271921 780749288 /nfs/dbraw/zinc/74/92/88/780749288.db2.gz VXSMEEGTJIIEKU-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM COc1cc(-c2c(F)ccc([O-])c2F)ncc1C#N ZINC001241290393 780759848 /nfs/dbraw/zinc/75/98/48/780759848.db2.gz LTQFNRSPKOLHRK-UHFFFAOYSA-N -1 1 262.215 2.613 20 30 CFEDMM C[S@](=O)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001241488148 780937270 /nfs/dbraw/zinc/93/72/70/780937270.db2.gz CYUHFGIRSWROJA-SFHVURJKSA-N -1 1 259.330 2.899 20 30 CFEDMM COC(=O)c1scc(C#N)c1Nc1cccc([O-])c1F ZINC001212547417 781039668 /nfs/dbraw/zinc/03/96/68/781039668.db2.gz MXVOCDGJTDTNMH-UHFFFAOYSA-N -1 1 292.291 2.995 20 30 CFEDMM N#Cc1cc(-c2ncnc3ccsc32)ccc1[O-] ZINC001242562192 781600547 /nfs/dbraw/zinc/60/05/47/781600547.db2.gz KTHXWDOELRWFEU-UHFFFAOYSA-N -1 1 253.286 2.936 20 30 CFEDMM N#Cc1cc(-c2cc(-c3ccccn3)ncn2)ccc1[O-] ZINC001242562802 781601391 /nfs/dbraw/zinc/60/13/91/781601391.db2.gz IGZVZVAJKSXKMR-UHFFFAOYSA-N -1 1 274.283 2.783 20 30 CFEDMM CCSc1cncc(-c2ccc([O-])c(C#N)c2)n1 ZINC001242562726 781601682 /nfs/dbraw/zinc/60/16/82/781601682.db2.gz GCPMKQDATUZPIZ-UHFFFAOYSA-N -1 1 257.318 2.833 20 30 CFEDMM CC(C)c1nc2c(ncnc2-c2ccc([O-])c(C#N)c2)[nH]1 ZINC001242562739 781601715 /nfs/dbraw/zinc/60/17/15/781601715.db2.gz GLGYMHXRDPHVAN-UHFFFAOYSA-N -1 1 279.303 2.721 20 30 CFEDMM N#Cc1cc(-c2ccc(-c3nc[nH]n3)cc2)ccc1[O-] ZINC001242564565 781604050 /nfs/dbraw/zinc/60/40/50/781604050.db2.gz HGKOQYLDAXGHHM-UHFFFAOYSA-N -1 1 262.272 2.716 20 30 CFEDMM CCN(CC)c1ncc(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242565983 781605007 /nfs/dbraw/zinc/60/50/07/781605007.db2.gz YZRJPWQYOIQOGT-UHFFFAOYSA-N -1 1 268.320 2.567 20 30 CFEDMM CC1(C)NC(=O)c2cc(-c3ccc([O-])c(C#N)c3)ccc21 ZINC001242566553 781606447 /nfs/dbraw/zinc/60/64/47/781606447.db2.gz FPCGPDSDFKNBRF-UHFFFAOYSA-N -1 1 278.311 2.909 20 30 CFEDMM COC(=O)c1nc2cccc(-c3ccc([O-])c(C#N)c3)c2o1 ZINC001242566345 781606643 /nfs/dbraw/zinc/60/66/43/781606643.db2.gz UYAZDSVNMYPTIE-UHFFFAOYSA-N -1 1 294.266 2.859 20 30 CFEDMM N#Cc1nc(-c2cccc([O-])c2Cl)cc2[nH]cnc21 ZINC001242798370 781764579 /nfs/dbraw/zinc/76/45/79/781764579.db2.gz UPRWKBYWSMVRNY-UHFFFAOYSA-N -1 1 270.679 2.856 20 30 CFEDMM N#CCCCCNC(=O)c1ccc(Br)cc1[O-] ZINC000070940823 346917349 /nfs/dbraw/zinc/91/73/49/346917349.db2.gz KLOKNGAYKPBLTQ-UHFFFAOYSA-N -1 1 297.152 2.578 20 30 CFEDMM N#CC(=C([O-])c1cccs1)c1nnc2n1CCCCC2 ZINC000035426700 346320664 /nfs/dbraw/zinc/32/06/64/346320664.db2.gz FINRFWNSQWKTGG-SNVBAGLBSA-N -1 1 286.360 2.556 20 30 CFEDMM CCC[C@H](C#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000040352170 346346232 /nfs/dbraw/zinc/34/62/32/346346232.db2.gz HPPQXZOQTDWCDJ-GFCCVEGCSA-N -1 1 268.316 2.967 20 30 CFEDMM C[C@H]1CCC[C@H](CNC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589170134 348815053 /nfs/dbraw/zinc/81/50/53/348815053.db2.gz JPSOTCIWXVCRCH-RYUDHWBXSA-N -1 1 272.348 2.820 20 30 CFEDMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000589168927 348815208 /nfs/dbraw/zinc/81/52/08/348815208.db2.gz LEXGRHUCSUOOQS-BMIGLBTASA-N -1 1 296.326 2.910 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCCc2cccc(F)c2)c1 ZINC000589178826 348816050 /nfs/dbraw/zinc/81/60/50/348816050.db2.gz FUILZGXTLOMAKJ-UHFFFAOYSA-N -1 1 298.317 2.766 20 30 CFEDMM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H](C)C1 ZINC000589180607 348816355 /nfs/dbraw/zinc/81/63/55/348816355.db2.gz BTIXTMMCMJUDAT-HFAKWTLXSA-N -1 1 272.348 2.818 20 30 CFEDMM C[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H]1C ZINC000589183914 348816809 /nfs/dbraw/zinc/81/68/09/348816809.db2.gz QFIUIZHHHYQHPV-GHMZBOCLSA-N -1 1 258.321 2.524 20 30 CFEDMM CC[C@H](C)C[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589186867 348816858 /nfs/dbraw/zinc/81/68/58/348816858.db2.gz LEABRPIQNSVBIZ-QWRGUYRKSA-N -1 1 260.337 2.818 20 30 CFEDMM CC(C)n1cc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000589181281 348816925 /nfs/dbraw/zinc/81/69/25/348816925.db2.gz YZINUMWUSUSUSM-NSHDSACASA-N -1 1 298.346 2.532 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000589184679 348817379 /nfs/dbraw/zinc/81/73/79/348817379.db2.gz VVMAGMJKTIFTRC-WMLDXEAASA-N -1 1 292.338 2.625 20 30 CFEDMM CC1(CNC(=O)c2cc([O-])cc(C#N)c2)CCCCC1 ZINC000589189174 348817862 /nfs/dbraw/zinc/81/78/62/348817862.db2.gz KJJOAOACLPJXJS-UHFFFAOYSA-N -1 1 272.348 2.964 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC23CCC(CC2)C3)c1 ZINC000589194361 348818112 /nfs/dbraw/zinc/81/81/12/348818112.db2.gz AYXFOUIEUVJJIB-UHFFFAOYSA-N -1 1 270.332 2.574 20 30 CFEDMM Cc1noc(C2CC2)c1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589199614 348819013 /nfs/dbraw/zinc/81/90/13/348819013.db2.gz CFNRUNUXMPTJQH-UHFFFAOYSA-N -1 1 283.287 2.690 20 30 CFEDMM CC[C@H](CC(F)(F)F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589206210 348819584 /nfs/dbraw/zinc/81/95/84/348819584.db2.gz NUHJIVCACICGBI-SNVBAGLBSA-N -1 1 286.253 2.725 20 30 CFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)C1CCC(F)(F)CC1 ZINC000589527222 348838075 /nfs/dbraw/zinc/83/80/75/348838075.db2.gz MVUZSBYXNYMIAD-UHFFFAOYSA-N -1 1 294.301 2.914 20 30 CFEDMM CC(C)[C@H]1N(C(=O)c2cc([O-])cc(C#N)c2)CC1(C)C ZINC000590471984 348902168 /nfs/dbraw/zinc/90/21/68/348902168.db2.gz DBCSONLNDAIUOU-CQSZACIVSA-N -1 1 272.348 2.770 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000590874319 348960565 /nfs/dbraw/zinc/96/05/65/348960565.db2.gz MFCRBEFXVGBQJS-JKSUJKDBSA-N -1 1 282.343 2.524 20 30 CFEDMM CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCCC1 ZINC000590883452 348962000 /nfs/dbraw/zinc/96/20/00/348962000.db2.gz KUHMRSFJDMORRD-OAHLLOKOSA-N -1 1 272.348 2.962 20 30 CFEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@H]1CC1(C)C ZINC000591321487 349009383 /nfs/dbraw/zinc/00/93/83/349009383.db2.gz RMCBDHGVCXVMIL-KGLIPLIRSA-N -1 1 272.348 2.818 20 30 CFEDMM C[C@@]1(C#N)CCN(Cc2cccc([O-])c2Cl)C1 ZINC000597232040 350065665 /nfs/dbraw/zinc/06/56/65/350065665.db2.gz RDMACLIYVKRKQF-ZDUSSCGKSA-N -1 1 250.729 2.781 20 30 CFEDMM C[C@H]1CCC(C)(C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000597753508 350132315 /nfs/dbraw/zinc/13/23/15/350132315.db2.gz RUALFNHDKFWPRG-JTQLQIEISA-N -1 1 258.321 2.667 20 30 CFEDMM N#CCC1CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000598033770 350180030 /nfs/dbraw/zinc/18/00/30/350180030.db2.gz SHTUTEMWCSIRSQ-UHFFFAOYSA-N -1 1 266.300 2.531 20 30 CFEDMM N#CCC1CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000598033479 350180098 /nfs/dbraw/zinc/18/00/98/350180098.db2.gz JQHMMGSNBOWDEK-UHFFFAOYSA-N -1 1 266.300 2.531 20 30 CFEDMM N#CC1(CNC(=O)c2ccc([O-])c(F)c2)CCCCC1 ZINC000598312033 350232443 /nfs/dbraw/zinc/23/24/43/350232443.db2.gz WFAHJRFKJPMDOT-UHFFFAOYSA-N -1 1 276.311 2.735 20 30 CFEDMM CC[C@](C)(NC(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000598248724 350224594 /nfs/dbraw/zinc/22/45/94/350224594.db2.gz DOAGHWAAJSCWBA-HNNXBMFYSA-N -1 1 258.321 2.572 20 30 CFEDMM CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)[C@@H](C)C#N ZINC000598361527 350249182 /nfs/dbraw/zinc/24/91/82/350249182.db2.gz KEFYUPUTCUSETI-QMMMGPOBSA-N -1 1 286.253 2.785 20 30 CFEDMM CCCc1c(C)[n-]n(Cc2cccc(C#N)c2)c1=O ZINC000601945409 350813595 /nfs/dbraw/zinc/81/35/95/350813595.db2.gz RHLSYWYGRXAFTO-CQSZACIVSA-N -1 1 255.321 2.693 20 30 CFEDMM CC[C@@H](CC#N)NC(=O)N=c1[n-]sc2ccccc21 ZINC000603052990 351095745 /nfs/dbraw/zinc/09/57/45/351095745.db2.gz YONDYFBRBRXTSM-VIFPVBQESA-N -1 1 274.349 2.532 20 30 CFEDMM CC(C)[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614897275 352130603 /nfs/dbraw/zinc/13/06/03/352130603.db2.gz DAVRHGFYRRUUJI-ZDUSSCGKSA-N -1 1 272.348 2.772 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000614298587 352077203 /nfs/dbraw/zinc/07/72/03/352077203.db2.gz VBQBOZALSOTVBA-CVEARBPZSA-N -1 1 278.311 2.550 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000614300653 352077206 /nfs/dbraw/zinc/07/72/06/352077206.db2.gz PSGWZEVCXIQWCZ-CHWSQXEVSA-N -1 1 270.332 2.526 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000614364999 352085832 /nfs/dbraw/zinc/08/58/32/352085832.db2.gz WFRZJVXVUUPFSM-HNNXBMFYSA-N -1 1 292.338 2.894 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000614370161 352086246 /nfs/dbraw/zinc/08/62/46/352086246.db2.gz VCLZUSQXRKQKTQ-JKSUJKDBSA-N -1 1 284.359 2.962 20 30 CFEDMM C[C@H](N(C)C(=O)c1cc([O-])cc(C#N)c1)C1(C)CC1 ZINC000614372183 352086369 /nfs/dbraw/zinc/08/63/69/352086369.db2.gz FQEYYKBVVWZKBA-JTQLQIEISA-N -1 1 258.321 2.524 20 30 CFEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nccs1 ZINC000614369611 352086412 /nfs/dbraw/zinc/08/64/12/352086412.db2.gz AFCVPSGPCDPUFP-LBPRGKRZSA-N -1 1 287.344 2.601 20 30 CFEDMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614715222 352114544 /nfs/dbraw/zinc/11/45/44/352114544.db2.gz YLRGKCUDVOPLTQ-NHYWBVRUSA-N -1 1 272.348 2.915 20 30 CFEDMM C=CC[C@@H]1CCCN(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000617781022 352643941 /nfs/dbraw/zinc/64/39/41/352643941.db2.gz CELXMNVGMXBTGW-LLVKDONJSA-N -1 1 291.420 2.568 20 30 CFEDMM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC000618892122 352906176 /nfs/dbraw/zinc/90/61/76/352906176.db2.gz HPQFEBXXUKIZBM-OAHLLOKOSA-N -1 1 296.301 2.820 20 30 CFEDMM C=C(C)[C@@H](CC(=O)Nc1cccc(F)c1[O-])OCC ZINC000628960747 354707481 /nfs/dbraw/zinc/70/74/81/354707481.db2.gz UZNFUGUANRVITL-GFCCVEGCSA-N -1 1 267.300 2.841 20 30 CFEDMM C=C(C)[C@H](CC(=O)Nc1cccc(F)c1[O-])OCC ZINC000628960748 354707874 /nfs/dbraw/zinc/70/78/74/354707874.db2.gz UZNFUGUANRVITL-LBPRGKRZSA-N -1 1 267.300 2.841 20 30 CFEDMM C=CC[C@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631343555 355406646 /nfs/dbraw/zinc/40/66/46/355406646.db2.gz FLWNKWSKFMDKBO-VIFPVBQESA-N -1 1 253.729 2.669 20 30 CFEDMM C=C(C)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000231727505 540194158 /nfs/dbraw/zinc/19/41/58/540194158.db2.gz VFALCZSQZPUMAX-UHFFFAOYSA-N -1 1 298.166 2.987 20 30 CFEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632302162 355685025 /nfs/dbraw/zinc/68/50/25/355685025.db2.gz ZSUTWVQJEQHCFZ-MRVPVSSYSA-N -1 1 279.308 2.850 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@@H]2Cc2ccccc2)cc1[O-] ZINC000336529718 283126730 /nfs/dbraw/zinc/12/67/30/283126730.db2.gz HYFHTILZKCLMEP-MRXNPFEDSA-N -1 1 292.338 2.721 20 30 CFEDMM C=CC(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000296942405 200041109 /nfs/dbraw/zinc/04/11/09/200041109.db2.gz XOARNQNPAYWWLE-UHFFFAOYSA-N -1 1 298.180 2.983 20 30 CFEDMM C=CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000161850199 540700345 /nfs/dbraw/zinc/70/03/45/540700345.db2.gz JJIOLEWVIUGXNW-UHFFFAOYSA-N -1 1 286.205 2.909 20 30 CFEDMM N#Cc1cc2c(nc1-c1ccc(F)c([O-])c1)CCC2 ZINC001243046281 781949928 /nfs/dbraw/zinc/94/99/28/781949928.db2.gz CSMZFLVDIXRMIO-UHFFFAOYSA-N -1 1 254.264 2.954 20 30 CFEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000442906477 241019446 /nfs/dbraw/zinc/01/94/46/241019446.db2.gz XPXKLKUDFFIPHT-LBPRGKRZSA-N -1 1 280.327 2.797 20 30 CFEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)C1CCC1 ZINC000452785188 243297863 /nfs/dbraw/zinc/29/78/63/243297863.db2.gz NEMQITHPOFKNGD-UHFFFAOYSA-N -1 1 272.348 2.820 20 30 CFEDMM C=C(CC)CN(CCOCC)Cc1ccc(C(=O)[O-])o1 ZINC000574458205 335021591 /nfs/dbraw/zinc/02/15/91/335021591.db2.gz ASOQRBOWCUTWAW-UHFFFAOYSA-N -1 1 281.352 2.783 20 30 CFEDMM Cc1ncoc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000329766722 378493889 /nfs/dbraw/zinc/49/38/89/378493889.db2.gz YNKQOJKEJACPPL-UHFFFAOYSA-N -1 1 275.312 2.716 20 30 CFEDMM C[C@@H](N(C)C(=O)c1ccc(C#N)c([O-])c1)C(C)(C)C ZINC000334608439 379615740 /nfs/dbraw/zinc/61/57/40/379615740.db2.gz VJIQVBKUCDONRG-SNVBAGLBSA-N -1 1 260.337 2.770 20 30 CFEDMM C=C(C)CS(=O)(=O)[N-]c1cc(C)cc2cccnc21 ZINC000335164420 379985935 /nfs/dbraw/zinc/98/59/35/379985935.db2.gz ALPTZJMPULOLKC-UHFFFAOYSA-N -1 1 276.361 2.861 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2occ(C)c2c1 ZINC000335202199 380000209 /nfs/dbraw/zinc/00/02/09/380000209.db2.gz CEADQZSBGUPRAS-LLVKDONJSA-N -1 1 278.333 2.785 20 30 CFEDMM C#CCO[N-]C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000291194362 381704043 /nfs/dbraw/zinc/70/40/43/381704043.db2.gz GZEDYCSGKWPGDT-UHFFFAOYSA-N -1 1 272.131 2.607 20 30 CFEDMM Cc1nc(SCCC(C)(C)C#N)[n-]c(=O)c1C ZINC000344091177 382121860 /nfs/dbraw/zinc/12/18/60/382121860.db2.gz CXDZZNRUNGIAEP-UHFFFAOYSA-N -1 1 251.355 2.831 20 30 CFEDMM CC[C@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188207687 382367053 /nfs/dbraw/zinc/36/70/53/382367053.db2.gz ZWQOZGFRXRHFFP-ZDUSSCGKSA-N -1 1 258.321 2.669 20 30 CFEDMM CCOc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188315749 382390479 /nfs/dbraw/zinc/39/04/79/382390479.db2.gz OEMRICATZQNHJQ-UHFFFAOYSA-N -1 1 296.326 2.593 20 30 CFEDMM CC1(C)CCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188616984 382444606 /nfs/dbraw/zinc/44/46/06/382444606.db2.gz WFKYKFIYSSUZEL-CYBMUJFWSA-N -1 1 258.321 2.572 20 30 CFEDMM CC(C)[C@@H](C)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000188378227 382402314 /nfs/dbraw/zinc/40/23/14/382402314.db2.gz RWDFTDOJIQKCSN-LLVKDONJSA-N -1 1 272.348 2.913 20 30 CFEDMM N#Cc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1[O-] ZINC000189986460 382648595 /nfs/dbraw/zinc/64/85/95/382648595.db2.gz IHGKHSHOTBSHPF-UHFFFAOYSA-N -1 1 292.338 2.725 20 30 CFEDMM Cc1c(C#N)cccc1C(=O)Nc1ccc(F)cc1[O-] ZINC000338172627 382941631 /nfs/dbraw/zinc/94/16/31/382941631.db2.gz JSNYJSILFOLXNB-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM C=CCN(CCc1ccco1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442667845 382943431 /nfs/dbraw/zinc/94/34/31/382943431.db2.gz BAYZZFWRVGEDOX-UHFFFAOYSA-N -1 1 296.326 2.728 20 30 CFEDMM CCc1cnccc1[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442672611 382944104 /nfs/dbraw/zinc/94/41/04/382944104.db2.gz ONKWTTHTXDTELP-LLVKDONJSA-N -1 1 295.342 2.712 20 30 CFEDMM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000457284020 383011629 /nfs/dbraw/zinc/01/16/29/383011629.db2.gz NTEYXXXSAPAPNP-HOCLYGCPSA-N -1 1 272.348 2.818 20 30 CFEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000565469902 383179134 /nfs/dbraw/zinc/17/91/34/383179134.db2.gz NFRBVCHPKCGEMP-UHFFFAOYSA-N -1 1 292.360 2.651 20 30 CFEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cncc([O-])c1 ZINC000339830887 383333897 /nfs/dbraw/zinc/33/38/97/383333897.db2.gz ZORVZTWZFVQBGC-UHFFFAOYSA-N -1 1 295.342 2.710 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1ncccc1C(C)C ZINC000427747280 383415617 /nfs/dbraw/zinc/41/56/17/383415617.db2.gz KRSBAVYTVRXNCM-UHFFFAOYSA-N -1 1 268.382 2.913 20 30 CFEDMM C=CCN(CCC#N)C(=O)c1cc(Cl)ccc1[O-] ZINC000436836454 383895267 /nfs/dbraw/zinc/89/52/67/383895267.db2.gz CQTFTWUHYWNWOY-UHFFFAOYSA-N -1 1 264.712 2.587 20 30 CFEDMM COc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)cc(Cl)c1[O-] ZINC000135166278 413047790 /nfs/dbraw/zinc/04/77/90/413047790.db2.gz IOTALUFKNXOSQW-NSHDSACASA-N -1 1 296.754 2.722 20 30 CFEDMM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)c1ccncn1 ZINC000354462162 533625847 /nfs/dbraw/zinc/62/58/47/533625847.db2.gz HIFGBFABKNBZDW-GFCCVEGCSA-N -1 1 276.299 2.756 20 30 CFEDMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188542789 393565541 /nfs/dbraw/zinc/56/55/41/393565541.db2.gz GJCITFJAAABEPM-PHIMTYICSA-N -1 1 258.321 2.667 20 30 CFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1 ZINC000076935454 393693852 /nfs/dbraw/zinc/69/38/52/393693852.db2.gz DNCMZESNOVFJBJ-UHFFFAOYSA-N -1 1 272.329 2.668 20 30 CFEDMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(C#N)cc1 ZINC000125588184 394010415 /nfs/dbraw/zinc/01/04/15/394010415.db2.gz HMKIEUUOWFCGHR-SNVBAGLBSA-N -1 1 284.290 2.894 20 30 CFEDMM CCc1ccc(CCNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188445737 397610466 /nfs/dbraw/zinc/61/04/66/397610466.db2.gz SXPOEPUMIOMMHU-UHFFFAOYSA-N -1 1 294.354 2.799 20 30 CFEDMM CC1(CNC(=O)c2ccc(C#N)c([O-])c2)CCCCC1 ZINC000356786888 155368135 /nfs/dbraw/zinc/36/81/35/155368135.db2.gz XZDIYQGVOMVKDY-UHFFFAOYSA-N -1 1 272.348 2.964 20 30 CFEDMM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000408114670 157379916 /nfs/dbraw/zinc/37/99/16/157379916.db2.gz YXICHKZMASQSFG-NWDGAFQWSA-N -1 1 296.392 2.644 20 30 CFEDMM CC1CCC(C)(C[N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000344750697 162114870 /nfs/dbraw/zinc/11/48/70/162114870.db2.gz CUCLKDSWLFTSRZ-UHFFFAOYSA-N -1 1 296.392 2.646 20 30 CFEDMM CC(C)[C@H](C#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000079843641 260177545 /nfs/dbraw/zinc/17/75/45/260177545.db2.gz HKFWJOFQXAIPCK-AWEZNQCLSA-N -1 1 268.316 2.823 20 30 CFEDMM N#C[C@@H]1CC[C@@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000295436271 263177467 /nfs/dbraw/zinc/17/74/67/263177467.db2.gz VEKWAEIBELMJMZ-PSASIEDQSA-N -1 1 261.350 2.844 20 30 CFEDMM C[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000331260422 264184028 /nfs/dbraw/zinc/18/40/28/264184028.db2.gz AVEMPOJNQJQXOC-MFKMUULPSA-N -1 1 274.320 2.526 20 30 CFEDMM C[C@@H]1CC(NC(=O)c2ccc(C#N)c([O-])c2)C[C@@H](C)C1 ZINC000188492845 277666316 /nfs/dbraw/zinc/66/63/16/277666316.db2.gz FPXMHWFYIKHVBA-QWRGUYRKSA-N -1 1 272.348 2.818 20 30 CFEDMM C[C@H]1CCCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336447576 278329273 /nfs/dbraw/zinc/32/92/73/278329273.db2.gz CVQCACKRXQKPOI-NSHDSACASA-N -1 1 258.321 2.669 20 30 CFEDMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336625455 278533878 /nfs/dbraw/zinc/53/38/78/278533878.db2.gz HWEMRDDNTHLGMA-KWQFWETISA-N -1 1 298.264 2.677 20 30 CFEDMM Cc1ccc2nc(NC(=O)c3ccc(C#N)c([O-])c3)[nH]c2c1 ZINC000344485494 281160804 /nfs/dbraw/zinc/16/08/04/281160804.db2.gz ZCZZCVHZVKNPJV-UHFFFAOYSA-N -1 1 292.298 2.701 20 30 CFEDMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000356679656 288497278 /nfs/dbraw/zinc/49/72/78/288497278.db2.gz BBWDLVJWAIWAJC-UTUOFQBUSA-N -1 1 272.348 2.770 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)cc1[O-] ZINC000188394496 324014999 /nfs/dbraw/zinc/01/49/99/324014999.db2.gz AKHDONWWZBMZHV-INIZCTEOSA-N -1 1 292.338 2.894 20 30 CFEDMM CCCc1cc(=O)[n-]c(SCCCCC#N)n1 ZINC000042199526 326932725 /nfs/dbraw/zinc/93/27/25/326932725.db2.gz SHNWXAVCZJOFML-UHFFFAOYSA-N -1 1 251.355 2.508 20 30 CFEDMM C=C(C)CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000395334108 328736160 /nfs/dbraw/zinc/73/61/60/328736160.db2.gz VCLTVYNBWLLHHL-UHFFFAOYSA-N -1 1 284.153 2.851 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cnn2ccccc12 ZINC000171736973 329079820 /nfs/dbraw/zinc/07/98/20/329079820.db2.gz MQHITTLQKGXJPQ-VIZOYTHASA-N -1 1 278.267 2.656 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000232213963 329385264 /nfs/dbraw/zinc/38/52/64/329385264.db2.gz HLVXQZGTJWLRDV-SECBINFHSA-N -1 1 272.757 2.692 20 30 CFEDMM N#C[C@H](NC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000161731385 329953786 /nfs/dbraw/zinc/95/37/86/329953786.db2.gz IBYRCIIHGLNQPC-AWEZNQCLSA-N -1 1 266.300 2.577 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000437522179 330702014 /nfs/dbraw/zinc/70/20/14/330702014.db2.gz WRCBFZHUGBUHNV-YGRLFVJLSA-N -1 1 295.766 2.757 20 30 CFEDMM N#CC1(CSc2nc(C(F)F)cc(=O)[n-]2)CCC1 ZINC000450954462 331008663 /nfs/dbraw/zinc/00/86/63/331008663.db2.gz CJSTWMOMOGJROB-UHFFFAOYSA-N -1 1 271.292 2.906 20 30 CFEDMM C=C(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000451804274 331042833 /nfs/dbraw/zinc/04/28/33/331042833.db2.gz UMOCAJSWJQFGOR-UHFFFAOYSA-N -1 1 277.748 2.724 20 30 CFEDMM CCCc1cc(=O)[n-]c(SCCCSCC#N)n1 ZINC000194968028 331083544 /nfs/dbraw/zinc/08/35/44/331083544.db2.gz GYTCOTFXQLWWNJ-UHFFFAOYSA-N -1 1 283.422 2.874 20 30 CFEDMM C#C[C@H]([N-]C(=O)C(C)(Cl)Cl)c1ccc(F)cc1 ZINC000491696502 332291754 /nfs/dbraw/zinc/29/17/54/332291754.db2.gz YVHMVFDPKZQXFE-JTQLQIEISA-N -1 1 274.122 2.810 20 30 CFEDMM C=CCCC[C@H](C)N=c1nc([C@H](C)OC)[n-]s1 ZINC000337878618 335130823 /nfs/dbraw/zinc/13/08/23/335130823.db2.gz SJWZSVTWUJXVHC-UWVGGRQHSA-N -1 1 255.387 2.824 20 30 CFEDMM C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000351091626 335566565 /nfs/dbraw/zinc/56/65/65/335566565.db2.gz FYXDGZBHAPOSAD-FUXBKTLASA-N -1 1 275.695 2.897 20 30 CFEDMM CC(C)(CCNC(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000360751925 519216153 /nfs/dbraw/zinc/21/61/53/519216153.db2.gz HEBQJIUQQCTQNA-UHFFFAOYSA-N -1 1 272.348 2.820 20 30 CFEDMM N#Cc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000336439393 526699483 /nfs/dbraw/zinc/69/94/83/526699483.db2.gz PNVSYYGKEWPAKA-UHFFFAOYSA-N -1 1 256.236 2.655 20 30 CFEDMM C=CCOc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354469324 526929629 /nfs/dbraw/zinc/92/96/29/526929629.db2.gz QOAABFTYEGLEIX-CYBMUJFWSA-N -1 1 279.299 2.531 20 30 CFEDMM C=CCCC[C@H](C)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000345024544 527295224 /nfs/dbraw/zinc/29/52/24/527295224.db2.gz IUKUDVZVDCHAST-JTQLQIEISA-N -1 1 279.409 2.614 20 30 CFEDMM CCC(CC)n1nc(C)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354464808 528906524 /nfs/dbraw/zinc/90/65/24/528906524.db2.gz JHHFDOAZGSNNJY-ZDUSSCGKSA-N -1 1 297.362 2.833 20 30 CFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000007053417 545516395 /nfs/dbraw/zinc/51/63/95/545516395.db2.gz MBFDMWFWLSJEOZ-UHFFFAOYSA-N -1 1 272.329 2.668 20 30 CFEDMM O=C(/C=C/c1cn(-c2ccccc2)nn1)c1ccc([O-])cc1 ZINC000727745277 574064004 /nfs/dbraw/zinc/06/40/04/574064004.db2.gz VWBMGXGLVFRVSD-DHZHZOJOSA-N -1 1 291.310 2.869 20 30 CFEDMM CC(=NOCc1cccnc1)c1ccc(F)cc1[O-] ZINC000746586237 574156027 /nfs/dbraw/zinc/15/60/27/574156027.db2.gz UEXDQUTUABYWRW-UHFFFAOYSA-N -1 1 260.268 2.867 20 30 CFEDMM Cn1c2ccccc2nc1CN=Nc1ccccc1C(=O)[O-] ZINC000755601396 574171054 /nfs/dbraw/zinc/17/10/54/574171054.db2.gz ODKAPPWQXRDHJH-UHFFFAOYSA-N -1 1 294.314 2.718 20 30 CFEDMM O=C([O-])c1ccc(/C=C/C(=O)c2cc(F)ccc2O)o1 ZINC000833312038 601826073 /nfs/dbraw/zinc/82/60/73/601826073.db2.gz IDYRQBCZLCWBDY-GORDUTHDSA-N -1 1 276.219 2.719 20 30 CFEDMM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(C#N)c1 ZINC000825501983 603559405 /nfs/dbraw/zinc/55/94/05/603559405.db2.gz GKFGFJOEEZZMCW-LLVKDONJSA-N -1 1 296.330 2.894 20 30 CFEDMM CC(C)CCN(C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833483828 604605061 /nfs/dbraw/zinc/60/50/61/604605061.db2.gz QIOINQRJIQIIBC-UHFFFAOYSA-N -1 1 260.337 2.734 20 30 CFEDMM CC(=NNc1ccc(C(=O)[O-])cn1)c1c(F)cccc1F ZINC000763369444 604668516 /nfs/dbraw/zinc/66/85/16/604668516.db2.gz WMUVKTSJOAQDFD-UHFFFAOYSA-N -1 1 291.257 2.894 20 30 CFEDMM Cc1cccc(NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822327249 606368249 /nfs/dbraw/zinc/36/82/49/606368249.db2.gz DSHHAIYPNIZVFD-UHFFFAOYSA-N -1 1 284.348 2.683 20 30 CFEDMM O=C(C=Cc1cccs1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403539 608093169 /nfs/dbraw/zinc/09/31/69/608093169.db2.gz VARKDEHDXYDNSV-ONEGZZNKSA-N -1 1 288.357 2.886 20 30 CFEDMM O=C(C=Cc1cccs1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403539 608093170 /nfs/dbraw/zinc/09/31/70/608093170.db2.gz VARKDEHDXYDNSV-ONEGZZNKSA-N -1 1 288.357 2.886 20 30 CFEDMM Cc1ncccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826330345 608093711 /nfs/dbraw/zinc/09/37/11/608093711.db2.gz PYMJFVYFYHJRTN-PLNGDYQASA-N -1 1 297.343 2.528 20 30 CFEDMM Cc1ncccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826330345 608093712 /nfs/dbraw/zinc/09/37/12/608093712.db2.gz PYMJFVYFYHJRTN-PLNGDYQASA-N -1 1 297.343 2.528 20 30 CFEDMM C=C1CCC(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000900688182 620702004 /nfs/dbraw/zinc/70/20/04/620702004.db2.gz IISAORJEGXVISI-UHFFFAOYSA-N -1 1 279.311 2.713 20 30 CFEDMM C=C[C@](C)(CCOC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759864 617837549 /nfs/dbraw/zinc/83/75/49/617837549.db2.gz SSNYIKVFNVUEDU-OAHLLOKOSA-N -1 1 297.782 2.891 20 30 CFEDMM C=CC[C@H]1CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000890547711 617639092 /nfs/dbraw/zinc/63/90/92/617639092.db2.gz CMPJAUKSYUUKIW-NSHDSACASA-N -1 1 265.740 2.765 20 30 CFEDMM C=CC[C@H]1CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000890561867 617653860 /nfs/dbraw/zinc/65/38/60/617653860.db2.gz MANJISGGEDOZFA-JTQLQIEISA-N -1 1 251.713 2.836 20 30 CFEDMM COC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])cc2)o1 ZINC000254965791 617700139 /nfs/dbraw/zinc/70/01/39/617700139.db2.gz VJZHZGZDXXPAPI-VURMDHGXSA-N -1 1 272.256 2.668 20 30 CFEDMM C#C[C@H](CC)NC(=O)c1ccc2ccccc2c1[O-] ZINC000234042393 617824078 /nfs/dbraw/zinc/82/40/78/617824078.db2.gz BHKBXDKNTMOQPC-GFCCVEGCSA-N -1 1 253.301 2.687 20 30 CFEDMM CC(C)(C)C#CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890761048 617839929 /nfs/dbraw/zinc/83/99/29/617839929.db2.gz JIAXHEDEXAUKLF-UHFFFAOYSA-N -1 1 265.740 2.711 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NOCC(F)(F)F ZINC000901207976 620764888 /nfs/dbraw/zinc/76/48/88/620764888.db2.gz OOGIMJKZRBOTJP-UHFFFAOYSA-N -1 1 251.179 2.753 20 30 CFEDMM C=CC1(CC(=O)N[C@H](CCC)c2nn[n-]n2)CCCCC1 ZINC000934310499 617996028 /nfs/dbraw/zinc/99/60/28/617996028.db2.gz BEDZOWRHNLNSAZ-GFCCVEGCSA-N -1 1 291.399 2.684 20 30 CFEDMM O=C(/C=C\c1cnn2ccccc12)c1ccc([O-])cc1 ZINC000255174253 618054748 /nfs/dbraw/zinc/05/47/48/618054748.db2.gz VPXMNRRTQJIXFH-TWGQIWQCSA-N -1 1 264.284 2.936 20 30 CFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000176681045 618152946 /nfs/dbraw/zinc/15/29/46/618152946.db2.gz RMUZOCJQWHWAAA-UHFFFAOYSA-N -1 1 289.331 2.916 20 30 CFEDMM CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000901335059 620788007 /nfs/dbraw/zinc/78/80/07/620788007.db2.gz RKHUPZKHVFIGPH-CHWSQXEVSA-N -1 1 282.771 2.663 20 30 CFEDMM C=CCCC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901339040 620788472 /nfs/dbraw/zinc/78/84/72/620788472.db2.gz ZIJJSWMFDWEKNX-JTQLQIEISA-N -1 1 275.352 2.534 20 30 CFEDMM CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc([O-])c(Cl)c1 ZINC000901339468 620788909 /nfs/dbraw/zinc/78/89/09/620788909.db2.gz UFBCBMOLNZKXJR-TZMCWYRMSA-N -1 1 282.771 2.663 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cccc(C(F)(F)F)c2)n1 ZINC000254735132 618409508 /nfs/dbraw/zinc/40/95/08/618409508.db2.gz VAIJSZJHHGYOKW-UHFFFAOYSA-N -1 1 296.252 2.955 20 30 CFEDMM C#C[C@H](CCC)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000867761462 618832899 /nfs/dbraw/zinc/83/28/99/618832899.db2.gz NQSPBJXLLAIVOZ-LLVKDONJSA-N -1 1 265.740 2.506 20 30 CFEDMM N#CCc1cccc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000194585636 618937776 /nfs/dbraw/zinc/93/77/76/618937776.db2.gz URPUOXFZCNGLDR-UHFFFAOYSA-N -1 1 287.706 2.759 20 30 CFEDMM C=CCCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000726652106 619255798 /nfs/dbraw/zinc/25/57/98/619255798.db2.gz ZQNNITGNUBHENV-UHFFFAOYSA-N -1 1 274.272 2.508 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NN[C@@H](C)C(C)(C)C)c1 ZINC000793114395 619510115 /nfs/dbraw/zinc/51/01/15/619510115.db2.gz LTCCYRSUBVAVEN-JTQLQIEISA-N -1 1 278.352 2.537 20 30 CFEDMM CN(CC(C)(C)C#N)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897842177 620292536 /nfs/dbraw/zinc/29/25/36/620292536.db2.gz AGIZKMBZMWJFDL-UHFFFAOYSA-N -1 1 298.342 2.873 20 30 CFEDMM N#CC1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CCC1 ZINC000897991500 620319614 /nfs/dbraw/zinc/31/96/14/620319614.db2.gz IQCTXCSCOHBASH-UHFFFAOYSA-N -1 1 296.326 2.675 20 30 CFEDMM C[C@@]1(C#N)CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000898981709 620512795 /nfs/dbraw/zinc/51/27/95/620512795.db2.gz RPAKZVDAWIMBGH-KRWDZBQOSA-N -1 1 296.326 2.627 20 30 CFEDMM Cn1nc2c(c1/C=C1/CCc3cc([O-])ccc3C1=O)CCC2 ZINC000899352240 620547571 /nfs/dbraw/zinc/54/75/71/620547571.db2.gz CLZSYCPYHZYBRA-BENRWUELSA-N -1 1 294.354 2.827 20 30 CFEDMM O=C([C@H]1CCCCO1)N([O-])Cc1ccccc1Cl ZINC000904190144 621545954 /nfs/dbraw/zinc/54/59/54/621545954.db2.gz IGPUTICWWHOUMP-GFCCVEGCSA-N -1 1 269.728 2.627 20 30 CFEDMM CCCCCCN([O-])C(=O)C(=O)c1ccc(C)cc1 ZINC000904205343 621550992 /nfs/dbraw/zinc/55/09/92/621550992.db2.gz INDAWWAYQQNWRD-UHFFFAOYSA-N -1 1 263.337 2.976 20 30 CFEDMM C=C(Br)CN[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000905378583 621757553 /nfs/dbraw/zinc/75/75/53/621757553.db2.gz DJTLABBXJXVITN-LBPRGKRZSA-N -1 1 298.180 2.927 20 30 CFEDMM C#CCCCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982530 622494582 /nfs/dbraw/zinc/49/45/82/622494582.db2.gz KVYFOCIIGNNPHK-UHFFFAOYSA-N -1 1 253.248 2.803 20 30 CFEDMM CC(C)(C#N)CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910988372 622496074 /nfs/dbraw/zinc/49/60/74/622496074.db2.gz DYQHPSYYPNYNPS-UHFFFAOYSA-N -1 1 254.236 2.549 20 30 CFEDMM C#CC[C@@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000912986092 622813362 /nfs/dbraw/zinc/81/33/62/622813362.db2.gz RUJUJGLKYNSCPU-GFCCVEGCSA-N -1 1 295.338 2.736 20 30 CFEDMM N#Cc1ccc(COC(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC000913299257 622870746 /nfs/dbraw/zinc/87/07/46/622870746.db2.gz XIVSMXIMBUCNKZ-UHFFFAOYSA-N -1 1 293.282 2.898 20 30 CFEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)C(C)(F)F ZINC000825837167 623759994 /nfs/dbraw/zinc/75/99/94/623759994.db2.gz VVOYIRFAXJRTBR-UHFFFAOYSA-N -1 1 282.290 2.675 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)C(=NOCc1ccccc1)O2 ZINC000915960284 624193589 /nfs/dbraw/zinc/19/35/89/624193589.db2.gz YUDJLPYFRHLMCB-UHFFFAOYSA-N -1 1 283.283 2.806 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-]Cc1ncc(Cl)s1 ZINC000834545936 625707164 /nfs/dbraw/zinc/70/71/64/625707164.db2.gz GYHQYIBUTLUHNQ-UHFFFAOYSA-N -1 1 266.700 2.624 20 30 CFEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(F)cc1 ZINC000916241484 624230276 /nfs/dbraw/zinc/23/02/76/624230276.db2.gz FCRANFWZTQGYDB-UHFFFAOYSA-N -1 1 274.299 2.856 20 30 CFEDMM Cc1[nH][n-]c(=O)c1Sc1ccc(C#N)c(C(F)(F)F)c1 ZINC000917413292 624340699 /nfs/dbraw/zinc/34/06/99/624340699.db2.gz ZROPSLPDGOMAON-SNVBAGLBSA-N -1 1 299.277 2.543 20 30 CFEDMM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccccc1Cl ZINC000917554307 624358656 /nfs/dbraw/zinc/35/86/56/624358656.db2.gz BCAZLTUYVVLNRD-UHFFFAOYSA-N -1 1 286.726 2.842 20 30 CFEDMM O=C(/C=C/c1ccc(-n2cncn2)cc1)c1ccc([O-])cc1 ZINC000068124076 624975990 /nfs/dbraw/zinc/97/59/90/624975990.db2.gz QYMNXFFSCPZEGM-XCVCLJGOSA-N -1 1 291.310 2.869 20 30 CFEDMM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000182044534 625251422 /nfs/dbraw/zinc/25/14/22/625251422.db2.gz FQVLUIWNVPPFKX-SNVBAGLBSA-N -1 1 298.298 2.641 20 30 CFEDMM N#C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000921539962 625980695 /nfs/dbraw/zinc/98/06/95/625980695.db2.gz WPKZGSNAJYHUFR-CYBMUJFWSA-N -1 1 292.766 2.787 20 30 CFEDMM C#Cc1cccc(N(C)C(=O)c2ccccc2[O-])c1 ZINC000103033146 626489921 /nfs/dbraw/zinc/48/99/21/626489921.db2.gz BPIVLCHWXNDTMU-UHFFFAOYSA-N -1 1 251.285 2.650 20 30 CFEDMM CCCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000804945237 626540276 /nfs/dbraw/zinc/54/02/76/626540276.db2.gz WCZLEZUCBJNJEP-LLVKDONJSA-N -1 1 284.381 2.788 20 30 CFEDMM C=C(Cl)C[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000757015866 626543500 /nfs/dbraw/zinc/54/35/00/626543500.db2.gz LSEKEBFEWBNHLJ-UHFFFAOYSA-N -1 1 281.636 2.925 20 30 CFEDMM CC(=NNC1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000757461663 626552727 /nfs/dbraw/zinc/55/27/27/626552727.db2.gz PEYNGRVCEPQWOI-UHFFFAOYSA-N -1 1 254.280 2.927 20 30 CFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cccc(O)c2)c1 ZINC000757472553 626553066 /nfs/dbraw/zinc/55/30/66/626553066.db2.gz KFWLREHDJFTJHC-XQRVVYSFSA-N -1 1 284.267 2.692 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2cncc3ccccc23)nc1 ZINC000763377427 626984039 /nfs/dbraw/zinc/98/40/39/626984039.db2.gz OFXZPZNIWMXORX-UHFFFAOYSA-N -1 1 292.298 2.774 20 30 CFEDMM CC(C)[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000768181586 627323566 /nfs/dbraw/zinc/32/35/66/627323566.db2.gz YROASLDOZRACAU-LLVKDONJSA-N -1 1 270.254 2.582 20 30 CFEDMM CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000770333460 627513983 /nfs/dbraw/zinc/51/39/83/627513983.db2.gz YTFSZFJYQDWNKC-LLVKDONJSA-N -1 1 270.254 2.726 20 30 CFEDMM CC(C)c1nccnc1NN=Cc1ccccc1C(=O)[O-] ZINC000773078842 627779961 /nfs/dbraw/zinc/77/99/61/627779961.db2.gz PIDANWBWGOUJDI-UHFFFAOYSA-N -1 1 284.319 2.744 20 30 CFEDMM O=C(OCC#Cc1ccc(F)cc1)c1ccc([O-])cc1F ZINC000773572627 627838274 /nfs/dbraw/zinc/83/82/74/627838274.db2.gz KDEVFDCCWATDKQ-UHFFFAOYSA-N -1 1 288.249 2.879 20 30 CFEDMM COc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c(O)c1 ZINC000774137334 627892580 /nfs/dbraw/zinc/89/25/80/627892580.db2.gz UXJRZEHMPBSCTQ-YVMONPNESA-N -1 1 298.294 2.995 20 30 CFEDMM [O-]c1ccc(C=NOC2CCOCC2)cc1Cl ZINC000774443581 627927085 /nfs/dbraw/zinc/92/70/85/627927085.db2.gz CKGNFHNJUONLTA-UHFFFAOYSA-N -1 1 255.701 2.575 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)C(=NOC1CCCC1)O2 ZINC000774596318 627940485 /nfs/dbraw/zinc/94/04/85/627940485.db2.gz CITIUMGPZXHWMJ-UHFFFAOYSA-N -1 1 261.277 2.548 20 30 CFEDMM O=[N+]([O-])c1ccc(CN=Nc2cc(Cl)ccn2)cc1[O-] ZINC000777914054 628264628 /nfs/dbraw/zinc/26/46/28/628264628.db2.gz VORPTUNJVVJANE-UHFFFAOYSA-N -1 1 292.682 2.795 20 30 CFEDMM N#CC1(COC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000778827576 628335032 /nfs/dbraw/zinc/33/50/32/628335032.db2.gz SKNQMLRZCBBTPX-UHFFFAOYSA-N -1 1 296.120 2.615 20 30 CFEDMM CC(=NNCCC(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000783869324 628751954 /nfs/dbraw/zinc/75/19/54/628751954.db2.gz YCPPENDYXJDWQN-UHFFFAOYSA-N -1 1 296.342 2.577 20 30 CFEDMM COc1ccc(N=NC(C)c2cc(C(=O)[O-])ccc2C)nc1 ZINC000788441000 629067287 /nfs/dbraw/zinc/06/72/87/629067287.db2.gz MARKQIMQZYCTFR-UHFFFAOYSA-N -1 1 299.330 2.933 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cn(C(C)(C)C)nn1)O2 ZINC000790218336 629220302 /nfs/dbraw/zinc/22/03/02/629220302.db2.gz MJVXLYHDQTWFQW-MLPAPPSSSA-N -1 1 299.330 2.663 20 30 CFEDMM C#C[C@@H](CCC)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000791738478 629350286 /nfs/dbraw/zinc/35/02/86/629350286.db2.gz RJAKPBFLLYNZGX-VIFPVBQESA-N -1 1 287.256 2.975 20 30 CFEDMM CC[C@H](NN=Cc1ccc(N2CCCCC2)s1)C(=O)[O-] ZINC000793078748 629484076 /nfs/dbraw/zinc/48/40/76/629484076.db2.gz OGCZERAIHPVFCW-LBPRGKRZSA-N -1 1 295.408 2.525 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1CN=Nc1ncncc1F ZINC000793198213 629502658 /nfs/dbraw/zinc/50/26/58/629502658.db2.gz AEUINRYLXPWUQT-UHFFFAOYSA-N -1 1 284.653 2.560 20 30 CFEDMM CCc1cccc2c1OCCC2=NNc1nc(C)cc(=O)[n-]1 ZINC000794856964 629696221 /nfs/dbraw/zinc/69/62/21/629696221.db2.gz PLDKZEDKHMYPRZ-UHFFFAOYSA-N -1 1 298.346 2.652 20 30 CFEDMM COC(=O)c1ccc(C(=O)OCCCCC(C)(C)C#N)[n-]1 ZINC000796369792 629909888 /nfs/dbraw/zinc/90/98/88/629909888.db2.gz SKIYGWHAUZEFTD-UHFFFAOYSA-N -1 1 292.335 2.678 20 30 CFEDMM COC(=O)c1occc1/C=C\C(=O)c1ccc([O-])cc1 ZINC000796967338 629996942 /nfs/dbraw/zinc/99/69/42/629996942.db2.gz DTGGGIQRQZVXOD-DAXSKMNVSA-N -1 1 272.256 2.668 20 30 CFEDMM C=CCC[C@H](OC(=O)c1ccc(C(=O)OC)[n-]1)C1CC1 ZINC000796998999 630001398 /nfs/dbraw/zinc/00/13/98/630001398.db2.gz BDNHWZLHFHXOOG-ZDUSSCGKSA-N -1 1 277.320 2.703 20 30 CFEDMM C=CC[C@H](CC)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000799035309 630268505 /nfs/dbraw/zinc/26/85/05/630268505.db2.gz WOBDSHJOSYHHJN-NSHDSACASA-N -1 1 277.368 2.699 20 30 CFEDMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1C#N ZINC000799713382 630337853 /nfs/dbraw/zinc/33/78/53/630337853.db2.gz VTALOAHPSMNBCW-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C\c2ccnn2C)c([O-])c1 ZINC000799894813 630352638 /nfs/dbraw/zinc/35/26/38/630352638.db2.gz GBQVSRMXIAVIKP-PLNGDYQASA-N -1 1 256.305 2.639 20 30 CFEDMM C=CCCOC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000801427921 630446528 /nfs/dbraw/zinc/44/65/28/630446528.db2.gz XYUGNTFZGFPINY-UHFFFAOYSA-N -1 1 290.294 2.758 20 30 CFEDMM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])cc1F ZINC000804454571 630682933 /nfs/dbraw/zinc/68/29/33/630682933.db2.gz QUNSMIBWKDRIMZ-AWEZNQCLSA-N -1 1 297.329 2.896 20 30 CFEDMM COc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)c1 ZINC000806558977 630811961 /nfs/dbraw/zinc/81/19/61/630811961.db2.gz RBPHUWBLNHOXPS-VMPITWQZSA-N -1 1 298.294 2.995 20 30 CFEDMM C=CCO[N-]C(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000837048432 630946280 /nfs/dbraw/zinc/94/62/80/630946280.db2.gz PFDQGAPVKVREJN-NSHDSACASA-N -1 1 258.321 2.516 20 30 CFEDMM CCCCCCCCCCC(=O)Nc1nn[n-]n1 ZINC000102895103 631119222 /nfs/dbraw/zinc/11/92/22/631119222.db2.gz TXDXLGOOUTVIIZ-UHFFFAOYSA-N -1 1 253.350 2.669 20 30 CFEDMM CCCCCCCCCCC(=O)Nc1nnn[n-]1 ZINC000102895103 631119218 /nfs/dbraw/zinc/11/92/18/631119218.db2.gz TXDXLGOOUTVIIZ-UHFFFAOYSA-N -1 1 253.350 2.669 20 30 CFEDMM CCC(CC)(CNC(=O)c1cc([O-])cc(C#N)c1)SC ZINC000809700026 631266307 /nfs/dbraw/zinc/26/63/07/631266307.db2.gz VZUJAAPKJWIHIV-UHFFFAOYSA-N -1 1 292.404 2.915 20 30 CFEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1O ZINC000809727979 631273151 /nfs/dbraw/zinc/27/31/51/631273151.db2.gz FXWYELXBRBILPZ-UHFFFAOYSA-N -1 1 268.272 2.530 20 30 CFEDMM C#CCCCS(=O)(=O)[N-]c1ccc(Cl)c(Cl)n1 ZINC000840946817 631274909 /nfs/dbraw/zinc/27/49/09/631274909.db2.gz OXJZGTSZGXEQKB-UHFFFAOYSA-N -1 1 293.175 2.544 20 30 CFEDMM C#CCCCS(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000840949131 631276444 /nfs/dbraw/zinc/27/64/44/631276444.db2.gz QVXXJNBUCHPBIG-UHFFFAOYSA-N -1 1 295.408 2.613 20 30 CFEDMM CC(=NN[C@@H]1CCOC1(C)C)c1ccc(Cl)cc1[O-] ZINC000841641827 631441475 /nfs/dbraw/zinc/44/14/75/631441475.db2.gz WYUBRUXBHYBYEN-CYBMUJFWSA-N -1 1 282.771 2.927 20 30 CFEDMM C=C(C)CNN=Cc1cccc(Br)c1[O-] ZINC000811650787 631593527 /nfs/dbraw/zinc/59/35/27/631593527.db2.gz QCRJCCOGFFTQNW-UHFFFAOYSA-N -1 1 269.142 2.654 20 30 CFEDMM C#CC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000843681339 632024492 /nfs/dbraw/zinc/02/44/92/632024492.db2.gz JZJQKIOOLGBNGQ-LLVKDONJSA-N -1 1 277.751 2.921 20 30 CFEDMM C#CC1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000844048965 632103122 /nfs/dbraw/zinc/10/31/22/632103122.db2.gz UKLWMMAHYMALTM-UHFFFAOYSA-N -1 1 293.750 2.540 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(Cl)c(N)c1 ZINC000814681605 632107008 /nfs/dbraw/zinc/10/70/08/632107008.db2.gz UAYNWOVUFDOAAI-UHFFFAOYSA-N -1 1 291.742 2.562 20 30 CFEDMM CC(=NNc1ccc(Cl)nn1)c1csc(C(=O)[O-])c1 ZINC000814697737 632110816 /nfs/dbraw/zinc/11/08/16/632110816.db2.gz AJFDEACRCJASHM-UHFFFAOYSA-N -1 1 296.739 2.726 20 30 CFEDMM Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1ccc(F)cn1 ZINC000814842655 632137277 /nfs/dbraw/zinc/13/72/77/632137277.db2.gz NMDMEBQEAGYBQV-UHFFFAOYSA-N -1 1 287.294 2.982 20 30 CFEDMM [O-]c1cc(F)c(Cl)cc1CN=Nc1ncncc1F ZINC000814939734 632175219 /nfs/dbraw/zinc/17/52/19/632175219.db2.gz CUOPWZIMUYSBCS-UHFFFAOYSA-N -1 1 284.653 2.560 20 30 CFEDMM C=C[C@@H](C)ONC(=O)N=c1nc(SCCC)[n-]s1 ZINC000844560097 632246189 /nfs/dbraw/zinc/24/61/89/632246189.db2.gz ZLTFUBWSJQQXHJ-SSDOTTSWSA-N -1 1 288.398 2.668 20 30 CFEDMM C[C@H](NN=C1CCCc2c(C#N)c(=O)[n-]cc21)C(C)(C)C ZINC000844598427 632259417 /nfs/dbraw/zinc/25/94/17/632259417.db2.gz PDPWLZQTFCHDAL-JTQLQIEISA-N -1 1 286.379 2.723 20 30 CFEDMM CC[C@H](C)CON=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844599034 632260706 /nfs/dbraw/zinc/26/07/06/632260706.db2.gz ZSVDOUVDIXYAPO-JTQLQIEISA-N -1 1 273.336 2.762 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000846543050 632731943 /nfs/dbraw/zinc/73/19/43/632731943.db2.gz JWECNQNADRATRJ-LBPRGKRZSA-N -1 1 299.374 2.654 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(Br)s1 ZINC000846544598 632732732 /nfs/dbraw/zinc/73/27/32/632732732.db2.gz HYVBQSSXRHKASY-SSDOTTSWSA-N -1 1 290.182 2.675 20 30 CFEDMM C=C[C@H](C)ONC(=O)c1ccc(OCCCC)cc1[O-] ZINC000846555342 632742382 /nfs/dbraw/zinc/74/23/82/632742382.db2.gz PZBPHRXLNVTUSG-NSHDSACASA-N -1 1 279.336 2.807 20 30 CFEDMM O=C(/C=C\c1cc2n(n1)CCCC2)c1cc(O)ccc1[O-] ZINC000848640395 633307188 /nfs/dbraw/zinc/30/71/88/633307188.db2.gz LVYPGWDKBIJMQB-XQRVVYSFSA-N -1 1 284.315 2.527 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1c(C3CC3)cnn1C)O2 ZINC000849243272 633588664 /nfs/dbraw/zinc/58/86/64/633588664.db2.gz HUDDNTWEDZIHBI-VIZOYTHASA-N -1 1 296.326 2.928 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2c(C3CC3)cnn2C)c1 ZINC000849246560 633589842 /nfs/dbraw/zinc/58/98/42/633589842.db2.gz IJHWMSRDNKLSHI-VURMDHGXSA-N -1 1 298.342 2.908 20 30 CFEDMM CCCn1nccc1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000853004158 634872365 /nfs/dbraw/zinc/87/23/65/634872365.db2.gz AAVNEMWMNFOYMC-XFXZXTDPSA-N -1 1 268.316 2.821 20 30 CFEDMM C#C[C@@](C)(CC)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000854700907 635374266 /nfs/dbraw/zinc/37/42/66/635374266.db2.gz ZSVOFKQOVKIAIQ-ZDUSSCGKSA-N -1 1 287.256 2.975 20 30 CFEDMM C=CC[C@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000857309803 635963802 /nfs/dbraw/zinc/96/38/02/635963802.db2.gz SPALCYXWHOCTSC-JTQLQIEISA-N -1 1 279.311 2.665 20 30 CFEDMM CC(C)CCCC=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000863079482 637550361 /nfs/dbraw/zinc/55/03/61/637550361.db2.gz OLTSADBTZMZSFD-UHFFFAOYSA-N -1 1 293.392 2.537 20 30 CFEDMM CCCCCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000863933843 637816350 /nfs/dbraw/zinc/81/63/50/637816350.db2.gz XLWJKRPIZLQGOR-UHFFFAOYSA-N -1 1 269.316 2.937 20 30 CFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866802730 638876300 /nfs/dbraw/zinc/87/63/00/638876300.db2.gz OGXZPLJIYCQXGI-SSDOTTSWSA-N -1 1 295.191 2.631 20 30 CFEDMM C[C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000868376678 638941214 /nfs/dbraw/zinc/94/12/14/638941214.db2.gz SVFQFDVOVNZIFY-GSVOUGTGSA-N -1 1 273.123 2.641 20 30 CFEDMM O=C(C=Cc1cc(O)ccc1[N+](=O)[O-])c1sccc1[O-] ZINC000193147691 650628408 /nfs/dbraw/zinc/62/84/08/650628408.db2.gz HTQREVIXLRYIBK-DAFODLJHSA-N -1 1 291.284 2.964 20 30 CFEDMM Cc1[n-]n(-c2ccc(C#N)cc2C(F)(F)F)c(=O)c1F ZINC000871957109 641530228 /nfs/dbraw/zinc/53/02/28/641530228.db2.gz NURHLZYUBBMAAK-SNVBAGLBSA-N -1 1 285.200 2.638 20 30 CFEDMM CCON=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872340405 641759029 /nfs/dbraw/zinc/75/90/29/641759029.db2.gz ZAOLLHSFFZCWGN-UHFFFAOYSA-N -1 1 271.342 2.861 20 30 CFEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)CC(F)F ZINC000881538982 645030917 /nfs/dbraw/zinc/03/09/17/645030917.db2.gz GBSMXFAPOMUYHC-UHFFFAOYSA-N -1 1 282.290 2.675 20 30 CFEDMM [O-]c1c(F)cc(F)cc1C=NOCCC(F)(F)F ZINC000884452490 646365994 /nfs/dbraw/zinc/36/59/94/646365994.db2.gz RCOXJXFWJAACDJ-UHFFFAOYSA-N -1 1 269.169 2.973 20 30 CFEDMM C=CCC1(C[N-]S(=O)(=O)c2ccns2)CCCC1 ZINC000885222362 646640661 /nfs/dbraw/zinc/64/06/61/646640661.db2.gz ZPLAVRLKMJPUEX-UHFFFAOYSA-N -1 1 286.422 2.558 20 30 CFEDMM CC[C@@H](C#N)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680732 646737075 /nfs/dbraw/zinc/73/70/75/646737075.db2.gz XIVLSEJTAANVPO-LURJTMIESA-N -1 1 256.664 2.673 20 30 CFEDMM N#CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000928813238 648959289 /nfs/dbraw/zinc/95/92/89/648959289.db2.gz HYHKTBNHDHNEHN-SECBINFHSA-N -1 1 292.644 2.620 20 30 CFEDMM C[C@H](C[N@H+](C)[C@H]1CCC[C@@H]1C#N)C(=O)c1ccc(O)cc1 ZINC000931477155 649438230 /nfs/dbraw/zinc/43/82/30/649438230.db2.gz VXDBWOMEWYZGCS-XPKDYRNWSA-N -1 1 286.375 2.835 20 30 CFEDMM CSc1nc(C)c(C#N)c(-c2cccc([O-])c2F)n1 ZINC001243542207 782264376 /nfs/dbraw/zinc/26/43/76/782264376.db2.gz MKMQBLKDNGFTQJ-UHFFFAOYSA-N -1 1 275.308 2.890 20 30 CFEDMM COC(=O)c1ccc(C#N)cc1-c1cccc([O-])c1F ZINC001243545537 782268107 /nfs/dbraw/zinc/26/81/07/782268107.db2.gz DSASLZPWTSTLDA-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM CCOC(=O)c1cnc(-c2cccc([O-])c2F)c(C#N)c1 ZINC001243545075 782267654 /nfs/dbraw/zinc/26/76/54/782267654.db2.gz PSTQGWFKCZPDJS-UHFFFAOYSA-N -1 1 286.262 2.642 20 30 CFEDMM C=C[C@H](C#CC(C)(C)C)OCCCC[P@](=O)([O-])O ZINC001225019207 775338482 /nfs/dbraw/zinc/33/84/82/775338482.db2.gz UPYNSZFWGDGMJH-GFCCVEGCSA-N -1 1 274.297 2.565 20 30 CFEDMM CCC1=C(Oc2cc([O-])ccc2C(C)=O)C(=O)[C@H](C)O1 ZINC001225616561 775525261 /nfs/dbraw/zinc/52/52/61/775525261.db2.gz LTTBUKKKMCPHOI-VIFPVBQESA-N -1 1 276.288 2.583 20 30 CFEDMM C=CCC[C@@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664291 775547338 /nfs/dbraw/zinc/54/73/38/775547338.db2.gz MKQAVCWVJORMGJ-SECBINFHSA-N -1 1 252.270 2.819 20 30 CFEDMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)C#C[Si](C)(C)C ZINC001225674915 775552249 /nfs/dbraw/zinc/55/22/49/775552249.db2.gz OBXSHVUCFPEPLQ-JTQLQIEISA-N -1 1 292.407 2.949 20 30 CFEDMM C=C[C@@H](CCCCC)Oc1nc(=O)[n-]cc1C(=O)OCC ZINC001225900037 775628296 /nfs/dbraw/zinc/62/82/96/775628296.db2.gz XLNPINYMOJZXER-NSHDSACASA-N -1 1 294.351 2.873 20 30 CFEDMM Cc1nn(C)cc1[C@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226110408 775701797 /nfs/dbraw/zinc/70/17/97/775701797.db2.gz RPADZIHTTIENPR-UXYFDLPDSA-N -1 1 259.309 2.677 20 30 CFEDMM C#C[C@H](CCC)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487391 775843500 /nfs/dbraw/zinc/84/35/00/775843500.db2.gz WUULTCGYHKYZHW-GFCCVEGCSA-N -1 1 272.300 2.988 20 30 CFEDMM C#CC[C@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487632 775843798 /nfs/dbraw/zinc/84/37/98/775843798.db2.gz ZXUTWJMRLUIRGM-JTQLQIEISA-N -1 1 258.273 2.598 20 30 CFEDMM Cc1cc(=O)oc2cc([O-])cc(O[C@H](C)CS)c12 ZINC001226484586 775843958 /nfs/dbraw/zinc/84/39/58/775843958.db2.gz GDSWZCIFJXURDF-MRVPVSSYSA-N -1 1 266.318 2.504 20 30 CFEDMM C=C[C@H](C)Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)C2 ZINC001226618426 775894118 /nfs/dbraw/zinc/89/41/18/775894118.db2.gz BFRMFDBBYMVTGD-LBPRGKRZSA-N -1 1 297.358 2.651 20 30 CFEDMM C=C[C@@H](CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227168486 776121482 /nfs/dbraw/zinc/12/14/82/776121482.db2.gz IWNCLHVXLOQCBX-NSHDSACASA-N -1 1 250.294 2.565 20 30 CFEDMM C=C[C@@H](CCCCCC)Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227430087 776202150 /nfs/dbraw/zinc/20/21/50/776202150.db2.gz HUCBFPVKQNEVBY-VIFPVBQESA-N -1 1 292.339 2.668 20 30 CFEDMM N#Cc1c([O-])ccc(O[C@@H]2CCc3cccnc32)c1C#N ZINC001227619718 776247158 /nfs/dbraw/zinc/24/71/58/776247158.db2.gz UUOCDVGMVJLBMQ-OAHLLOKOSA-N -1 1 277.283 2.597 20 30 CFEDMM N#C[C@H]1CC[C@@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227880286 776316234 /nfs/dbraw/zinc/31/62/34/776316234.db2.gz AANGYONWNVRLLJ-DTWKUNHWSA-N -1 1 272.333 2.758 20 30 CFEDMM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141345 776406811 /nfs/dbraw/zinc/40/68/11/776406811.db2.gz PMSSSGYCKWGVRJ-VWYCJHECSA-N -1 1 293.323 2.850 20 30 CFEDMM CCCCCCC[C@@H](C)Oc1nc(C(=O)OC)n[n-]1 ZINC001228310275 776454520 /nfs/dbraw/zinc/45/45/20/776454520.db2.gz DQMBWEROVREHBJ-SNVBAGLBSA-N -1 1 269.345 2.719 20 30 CFEDMM CCCCCCC[C@@H](C)Oc1n[n-]c(C(=O)OC)n1 ZINC001228310275 776454527 /nfs/dbraw/zinc/45/45/27/776454527.db2.gz DQMBWEROVREHBJ-SNVBAGLBSA-N -1 1 269.345 2.719 20 30 CFEDMM C[C@@H](C#C[Si](C)(C)C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699569 776574913 /nfs/dbraw/zinc/57/49/13/776574913.db2.gz ZQPWBGGSFJDQHW-NSHDSACASA-N -1 1 286.411 2.515 20 30 CFEDMM N#C[C@@H]1CC[C@@H](Oc2[n-]c(=S)nc3ccccc32)C1 ZINC001228760455 776601395 /nfs/dbraw/zinc/60/13/95/776601395.db2.gz MTCAUWSDENVLJA-NXEZZACHSA-N -1 1 271.345 2.990 20 30 CFEDMM C=C[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228862139 776638307 /nfs/dbraw/zinc/63/83/07/776638307.db2.gz LAXQUIFMYFCFAO-RXMQYKEDSA-N -1 1 278.186 2.668 20 30 CFEDMM C#C[C@H](Oc1c([O-])c(OC)cc2ccc(=O)oc21)C(C)C ZINC001229214152 776753634 /nfs/dbraw/zinc/75/36/34/776753634.db2.gz BVZYHWSLKRCZCD-NSHDSACASA-N -1 1 288.299 2.544 20 30 CFEDMM CC#C[C@@H](CC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229214193 776753817 /nfs/dbraw/zinc/75/38/17/776753817.db2.gz CHEZGOCXBLJBJS-LLVKDONJSA-N -1 1 288.299 2.688 20 30 CFEDMM CCC(=O)c1ccc([O-])cc1OC1=C(CC)O[C@H](C)C1=O ZINC001229474443 776823336 /nfs/dbraw/zinc/82/33/36/776823336.db2.gz GIFCVXICFXSOFV-SECBINFHSA-N -1 1 290.315 2.973 20 30 CFEDMM COC(=O)[C@H]1CCC[C@@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229737422 776883514 /nfs/dbraw/zinc/88/35/14/776883514.db2.gz YJBTVVYHISXAGZ-JHBBZFSESA-N -1 1 291.347 2.995 20 30 CFEDMM CCC[C@H](Oc1ccccc1/C(C)=N/[O-])C(=O)OCC ZINC001229737225 776883959 /nfs/dbraw/zinc/88/39/59/776883959.db2.gz SDXUZSYPNBMKJD-LUYJPIOASA-N -1 1 279.336 2.995 20 30 CFEDMM COC(=O)C1(C)CC(Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229739459 776884135 /nfs/dbraw/zinc/88/41/35/776884135.db2.gz XDTMUMRRMULITL-MHWRWJLKSA-N -1 1 277.320 2.605 20 30 CFEDMM COC(=O)[C@H]1CCC[C@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229737424 776884337 /nfs/dbraw/zinc/88/43/37/776884337.db2.gz YJBTVVYHISXAGZ-VYBPFTPOSA-N -1 1 291.347 2.995 20 30 CFEDMM O=C1C=C[C@H](Oc2nc3c(cc(Cl)nc3Cl)[n-]2)C1 ZINC001231050533 777124663 /nfs/dbraw/zinc/12/46/63/777124663.db2.gz UGYYONLJHSGBLU-LURJTMIESA-N -1 1 284.102 2.541 20 30 CFEDMM O=C1C=C[C@H](Oc2nc3cc(Cl)nc(Cl)c3[n-]2)C1 ZINC001231050533 777124666 /nfs/dbraw/zinc/12/46/66/777124666.db2.gz UGYYONLJHSGBLU-LURJTMIESA-N -1 1 284.102 2.541 20 30 CFEDMM C=CC[C@H](C=C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231262312 777180141 /nfs/dbraw/zinc/18/01/41/777180141.db2.gz FFAWNQJFGLEAFW-VIFPVBQESA-N -1 1 250.254 2.513 20 30 CFEDMM CC#CC[C@H](CC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231263528 777180444 /nfs/dbraw/zinc/18/04/44/777180444.db2.gz KRBVDTOJNKXAGQ-JTQLQIEISA-N -1 1 264.281 2.575 20 30 CFEDMM COc1ccc(CN2CCC[C@@H](C#N)CC2)cc1C(=O)[O-] ZINC001231753415 777324934 /nfs/dbraw/zinc/32/49/34/777324934.db2.gz GJDMOWGDOUQVIP-GFCCVEGCSA-N -1 1 288.347 2.519 20 30 CFEDMM COc1cnc(=S)[n-]c1O[C@H](C)CC(C)(C)S ZINC001226246385 777488875 /nfs/dbraw/zinc/48/88/75/777488875.db2.gz PWEDGAFARQMBPI-SSDOTTSWSA-N -1 1 274.411 2.640 20 30 CFEDMM Cc1cc([C@@H]2CCCN2Cc2cc(C#N)ccc2[O-])no1 ZINC001232673410 777637032 /nfs/dbraw/zinc/63/70/32/777637032.db2.gz FOHMVNWCSIRPCZ-HNNXBMFYSA-N -1 1 283.331 2.897 20 30 CFEDMM N#CC[C@@H]1CCCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232935234 777727026 /nfs/dbraw/zinc/72/70/26/777727026.db2.gz OLRAVCRCFUAUMR-JTQLQIEISA-N -1 1 266.291 2.796 20 30 CFEDMM C=C1O[C@@H](C)C(=O)C1Oc1cc([O-])ccc1C(=O)CCC ZINC001233649678 778025436 /nfs/dbraw/zinc/02/54/36/778025436.db2.gz CIPYCSNQFDTWIO-VIFPVBQESA-N -1 1 290.315 2.973 20 30 CFEDMM C=C[C@H](CCCCCC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233757929 778065840 /nfs/dbraw/zinc/06/58/40/778065840.db2.gz HWGUDNZMSARJDH-LLVKDONJSA-N -1 1 294.351 2.873 20 30 CFEDMM C#C[C@@H]1CCC[C@@H]1Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234043967 778150365 /nfs/dbraw/zinc/15/03/65/778150365.db2.gz HEVVDHKPBYQLJZ-MFKMUULPSA-N -1 1 284.315 2.530 20 30 CFEDMM C=C[C@H](CCCCCCC)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234464752 778232126 /nfs/dbraw/zinc/23/21/26/778232126.db2.gz BIFSDBSHBUXIPF-LLVKDONJSA-N -1 1 293.367 2.575 20 30 CFEDMM C=CC[C@@H](CCCC)Oc1c(C(=O)OC)nc(C)[n-]c1=O ZINC001234561369 778252902 /nfs/dbraw/zinc/25/29/02/778252902.db2.gz LUOHNZDYPVGNRO-NSHDSACASA-N -1 1 294.351 2.791 20 30 CFEDMM CCC[C@@H](Oc1ccccc1C=N[O-])C(=O)OCC ZINC001234821498 778300004 /nfs/dbraw/zinc/30/00/04/778300004.db2.gz FXQGNPQVJPCWKG-CYBMUJFWSA-N -1 1 265.309 2.605 20 30 CFEDMM [O-]/N=C/c1ccc(F)c(-c2cnn(Cc3ccccn3)c2)c1 ZINC001236433481 778826754 /nfs/dbraw/zinc/82/67/54/778826754.db2.gz UXXWZBCVNGNNKA-DNTJNYDQSA-N -1 1 296.305 2.941 20 30 CFEDMM C#CCN(CC#C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237086995 779008620 /nfs/dbraw/zinc/00/86/20/779008620.db2.gz RBICKLTVPMKYSM-UHFFFAOYSA-N -1 1 268.143 2.767 20 30 CFEDMM N#CC[C@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001238236063 779287746 /nfs/dbraw/zinc/28/77/46/779287746.db2.gz PDKAWWDIZNCNMG-LLVKDONJSA-N -1 1 276.311 2.650 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(C)nc1 ZINC000764907091 779862595 /nfs/dbraw/zinc/86/25/95/779862595.db2.gz CMYZBEAHGJKIND-UHFFFAOYSA-N -1 1 285.303 2.543 20 30 CFEDMM N#Cc1c[nH]c2nc(-c3cc([O-])cc(F)c3)ccc12 ZINC001241256129 780737123 /nfs/dbraw/zinc/73/71/23/780737123.db2.gz NYUVAXMGRQXVBV-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM CCS(=O)(=O)c1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001241463136 780915474 /nfs/dbraw/zinc/91/54/74/780915474.db2.gz LSIHQBJVNKCAQQ-LFIBNONCSA-N -1 1 289.356 2.955 20 30 CFEDMM Cc1cc(-c2cc(/C=N/[O-])ccc2F)cnc1C#N ZINC001242358550 781433502 /nfs/dbraw/zinc/43/35/02/781433502.db2.gz OXPWGOHUVHMQGC-CNHKJKLMSA-N -1 1 255.252 2.876 20 30 CFEDMM N#Cc1nc(-c2cccc(Cl)c2[O-])cc2[nH]cnc21 ZINC001242362654 781435880 /nfs/dbraw/zinc/43/58/80/781435880.db2.gz LHDBJZUWLASIEK-UHFFFAOYSA-N -1 1 270.679 2.856 20 30 CFEDMM CC(=O)c1ccc(-c2cc(/C=N/[O-])ccc2F)cn1 ZINC001242401774 781467625 /nfs/dbraw/zinc/46/76/25/781467625.db2.gz HSXCZBKYSORNIW-REZTVBANSA-N -1 1 258.252 2.898 20 30 CFEDMM [O-]/N=C/c1ccc(-c2cnn(C(F)(F)F)c2)cc1F ZINC001242464276 781519441 /nfs/dbraw/zinc/51/94/41/781519441.db2.gz FUHJBEVLRHXKEI-YAXRCOADSA-N -1 1 273.189 2.974 20 30 CFEDMM N#Cc1cc(-c2cc(C(N)=O)c3ccccc3n2)ccc1[O-] ZINC001242563803 781602474 /nfs/dbraw/zinc/60/24/74/781602474.db2.gz LJQDTZRQEWVZBW-UHFFFAOYSA-N -1 1 289.294 2.578 20 30 CFEDMM Cc1cc(-c2ccc([O-])c(C#N)c2)nc2[nH]cnc21 ZINC001242564427 781602974 /nfs/dbraw/zinc/60/29/74/781602974.db2.gz ZEQJWRRVOJSDDN-UHFFFAOYSA-N -1 1 250.261 2.511 20 30 CFEDMM CCOC(=O)c1ccc(-c2ccc([O-])c(C#N)c2)c(C)n1 ZINC001242565709 781605267 /nfs/dbraw/zinc/60/52/67/781605267.db2.gz QWLYTNZFCWLLPE-UHFFFAOYSA-N -1 1 282.299 2.811 20 30 CFEDMM Cn1cnc(-c2ccc(-c3ccc([O-])c(C#N)c3)cc2)n1 ZINC001242565888 781605314 /nfs/dbraw/zinc/60/53/14/781605314.db2.gz WCMKFRHJTDAEKV-UHFFFAOYSA-N -1 1 276.299 2.726 20 30 CFEDMM N#Cc1cc(-c2cccc3c2C2(CC2)C(=O)N3)ccc1[O-] ZINC001242566478 781606810 /nfs/dbraw/zinc/60/68/10/781606810.db2.gz BHNPNYPPPCVXQI-UHFFFAOYSA-N -1 1 276.295 2.915 20 30 CFEDMM N#Cc1cc(-c2ccc(=O)n(CC3CCC3)c2)ccc1[O-] ZINC001242566535 781606997 /nfs/dbraw/zinc/60/69/97/781606997.db2.gz DQHLEMXDWZXKAN-UHFFFAOYSA-N -1 1 280.327 2.893 20 30 CFEDMM Cc1cc(C#N)nc(-c2cc([O-])cc(OC(F)(F)F)c2)n1 ZINC001242986205 781901856 /nfs/dbraw/zinc/90/18/56/781901856.db2.gz KXNQURBWZZCCKG-UHFFFAOYSA-N -1 1 295.220 2.928 20 30 CFEDMM CC(C)CSCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596176175 349817950 /nfs/dbraw/zinc/81/79/50/349817950.db2.gz ZSOSUABTYIXMGQ-UHFFFAOYSA-N -1 1 275.830 2.891 20 30 CFEDMM N#CC[C@@H]1CC[C@H](N=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596251686 349841185 /nfs/dbraw/zinc/84/11/85/349841185.db2.gz WJTRLOPMQRPRSJ-YUMQZZPRSA-N -1 1 266.757 2.584 20 30 CFEDMM N#Cc1[n-]c(=N[C@H]2CCC[C@@H]3C[C@@H]32)sc1Cl ZINC000596269979 349848559 /nfs/dbraw/zinc/84/85/59/349848559.db2.gz JMVTWZZLVDJSSM-CSMHCCOUSA-N -1 1 253.758 2.691 20 30 CFEDMM N#Cc1[n-]c(=N[C@@H]2CC[C@H]3C[C@H]3C2)sc1Cl ZINC000596290268 349854005 /nfs/dbraw/zinc/85/40/05/349854005.db2.gz AHWKTGBAAXYEDF-BIIVOSGPSA-N -1 1 253.758 2.691 20 30 CFEDMM N#Cc1[n-]c(=N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)sc1Cl ZINC000596296558 349855596 /nfs/dbraw/zinc/85/55/96/349855596.db2.gz LOLYJSHFMCPOKU-KOLCDFICSA-N -1 1 296.827 2.519 20 30 CFEDMM CC1(C)[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1(F)F ZINC000596512514 349926119 /nfs/dbraw/zinc/92/61/19/349926119.db2.gz HXGSYRVAGBKQJF-LURJTMIESA-N -1 1 277.727 2.793 20 30 CFEDMM C=C(C)[C@H](CC(=O)[N-]OCc1ccc(F)cc1)OCC ZINC000273272149 192094956 /nfs/dbraw/zinc/09/49/56/192094956.db2.gz HMKWTLMNVHCYID-AWEZNQCLSA-N -1 1 281.327 2.745 20 30 CFEDMM CC[C@](C)(C#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000040357366 346346069 /nfs/dbraw/zinc/34/60/69/346346069.db2.gz GCQSOQMCBIOQGT-MRXNPFEDSA-N -1 1 268.316 2.967 20 30 CFEDMM CCC[C@@H](C#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000040352168 346346139 /nfs/dbraw/zinc/34/61/39/346346139.db2.gz HPPQXZOQTDWCDJ-LBPRGKRZSA-N -1 1 268.316 2.967 20 30 CFEDMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(C#N)c1 ZINC000080034057 347337975 /nfs/dbraw/zinc/33/79/75/347337975.db2.gz ZDZHVKUOKHWMPG-JTQLQIEISA-N -1 1 284.290 2.894 20 30 CFEDMM Cc1nc2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc2[nH]1 ZINC000589164511 348814323 /nfs/dbraw/zinc/81/43/23/348814323.db2.gz PHYPHVUOCOZSIT-UHFFFAOYSA-N -1 1 292.298 2.701 20 30 CFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)C1Cc2ccccc2C1 ZINC000589170050 348815293 /nfs/dbraw/zinc/81/52/93/348815293.db2.gz FYKCLNVQKQLVDX-UHFFFAOYSA-N -1 1 292.338 2.503 20 30 CFEDMM Cc1cc(C)nc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589191794 348817822 /nfs/dbraw/zinc/81/78/22/348817822.db2.gz BQHUSGRSTNIHNW-UHFFFAOYSA-N -1 1 267.288 2.528 20 30 CFEDMM CN1CCc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc21 ZINC000589196981 348819269 /nfs/dbraw/zinc/81/92/69/348819269.db2.gz QTYRMLYHQHLBFQ-UHFFFAOYSA-N -1 1 293.326 2.508 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc3c(cn2)CCCC3)c1 ZINC000589727753 348853757 /nfs/dbraw/zinc/85/37/57/348853757.db2.gz ROMZAMQYRBCWSV-UHFFFAOYSA-N -1 1 293.326 2.790 20 30 CFEDMM C=CCC(C)(C)CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000590477822 348903000 /nfs/dbraw/zinc/90/30/00/348903000.db2.gz NIIVBZHVKQTTMZ-UHFFFAOYSA-N -1 1 258.321 2.596 20 30 CFEDMM N#CCCCCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000594420342 349416161 /nfs/dbraw/zinc/41/61/61/349416161.db2.gz KBFFMXLBXDIERG-UHFFFAOYSA-N -1 1 274.349 2.583 20 30 CFEDMM CC1(C#N)CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000597486719 350103467 /nfs/dbraw/zinc/10/34/67/350103467.db2.gz MUQNWRWIKFWRAQ-UHFFFAOYSA-N -1 1 295.342 2.706 20 30 CFEDMM CCC(C)(C)[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000597953233 350162278 /nfs/dbraw/zinc/16/22/78/350162278.db2.gz CNLIEXULJOZIHC-SNVBAGLBSA-N -1 1 260.337 2.818 20 30 CFEDMM CC[C@@](C)(NC(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000598248726 350224599 /nfs/dbraw/zinc/22/45/99/350224599.db2.gz DOAGHWAAJSCWBA-OAHLLOKOSA-N -1 1 258.321 2.572 20 30 CFEDMM CCN(C(=O)c1cc2ccccc2cc1[O-])[C@H](C)C#N ZINC000598349286 350242840 /nfs/dbraw/zinc/24/28/40/350242840.db2.gz FKGHYOVSAJYSAG-LLVKDONJSA-N -1 1 268.316 2.920 20 30 CFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCC(F)CC1 ZINC000598367501 350251330 /nfs/dbraw/zinc/25/13/30/350251330.db2.gz ROCFCVPHTNCAKO-IFQILLTASA-N -1 1 290.338 2.910 20 30 CFEDMM C[C@]1(C#N)CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000598417810 350264678 /nfs/dbraw/zinc/26/46/78/350264678.db2.gz NGYBJUUVNMLOPP-CYBMUJFWSA-N -1 1 298.264 2.787 20 30 CFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@H](C)C1(F)F ZINC000600184190 350533562 /nfs/dbraw/zinc/53/35/62/350533562.db2.gz NZMBCKHSGZCADS-AOOOYVTPSA-N -1 1 294.301 2.627 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC3(CC3)CC2)c1 ZINC000600769658 350607764 /nfs/dbraw/zinc/60/77/64/350607764.db2.gz XFYZXUHGWVXHRG-UHFFFAOYSA-N -1 1 270.332 2.670 20 30 CFEDMM CC(C)C[C@H](C#N)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601031095 350647770 /nfs/dbraw/zinc/64/77/70/350647770.db2.gz HWXYQELEXSSXEZ-LLVKDONJSA-N -1 1 280.755 2.643 20 30 CFEDMM CN(C(=O)c1ncc2ccccc2c1[O-])[C@@H]1CCC[C@@H]1C#N ZINC000601802464 350778217 /nfs/dbraw/zinc/77/82/17/350778217.db2.gz TYLWYRSEZFEUQY-BXUZGUMPSA-N -1 1 295.342 2.705 20 30 CFEDMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCC[C@H]1C#N ZINC000601814265 350782752 /nfs/dbraw/zinc/78/27/52/350782752.db2.gz ALBAXPAGAZMFRR-JOYOIKCWSA-N -1 1 278.739 2.810 20 30 CFEDMM CC(C)c1c(Cc2ccccc2)[n-]n(CCC#N)c1=O ZINC000601930825 350805107 /nfs/dbraw/zinc/80/51/07/350805107.db2.gz JIFLXCGKDXAZFO-OAHLLOKOSA-N -1 1 269.348 2.613 20 30 CFEDMM CCc1c(-c2ccccc2)[n-]n(-c2oc(C)nc2C#N)c1=O ZINC000601941587 350810863 /nfs/dbraw/zinc/81/08/63/350810863.db2.gz XOPNKTCJNKIPIE-GFCCVEGCSA-N -1 1 294.314 2.632 20 30 CFEDMM CCc1c(C(C)C)[n-]n(Cc2cccc(C#N)c2)c1=O ZINC000601944072 350812607 /nfs/dbraw/zinc/81/26/07/350812607.db2.gz JCORYOWMYWRXPJ-CQSZACIVSA-N -1 1 269.348 2.939 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000614298352 352077171 /nfs/dbraw/zinc/07/71/71/352077171.db2.gz KSQCUKZZZFEIRT-JKSUJKDBSA-N -1 1 296.301 2.689 20 30 CFEDMM C[C@H](Cc1cccs1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614298317 352077184 /nfs/dbraw/zinc/07/71/84/352077184.db2.gz KCEYUJJPNOKNQI-SNVBAGLBSA-N -1 1 286.356 2.686 20 30 CFEDMM CC(C)[C@H](C)N(C(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000614366360 352085780 /nfs/dbraw/zinc/08/57/80/352085780.db2.gz NUMZYKGMYVEXDB-NSHDSACASA-N -1 1 272.348 2.913 20 30 CFEDMM CC(C)C(NC(=O)c1ccc(C#N)c([O-])c1)C(C)C ZINC000615482674 352198267 /nfs/dbraw/zinc/19/82/67/352198267.db2.gz KOGKPIXROOICRF-UHFFFAOYSA-N -1 1 260.337 2.674 20 30 CFEDMM CC[C@@H](C)n1ncc(NC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000616695204 352415288 /nfs/dbraw/zinc/41/52/88/352415288.db2.gz HNJRGCUQYJYXPC-SNVBAGLBSA-N -1 1 298.346 2.992 20 30 CFEDMM Cc1cccc2c1CN(C(=O)c1cc([O-])cc(C#N)c1)CC2 ZINC000617649930 352616772 /nfs/dbraw/zinc/61/67/72/352616772.db2.gz DLWNNWDAZIWQRW-UHFFFAOYSA-N -1 1 292.338 2.771 20 30 CFEDMM CC(C)C(CNC(=O)c1cc([O-])cc(C#N)c1)C(C)C ZINC000618473100 352782332 /nfs/dbraw/zinc/78/23/32/352782332.db2.gz RXWUCSWMFGVFAA-UHFFFAOYSA-N -1 1 274.364 2.922 20 30 CFEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC000618892121 352906460 /nfs/dbraw/zinc/90/64/60/352906460.db2.gz HPQFEBXXUKIZBM-HNNXBMFYSA-N -1 1 296.301 2.820 20 30 CFEDMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000619420401 353019509 /nfs/dbraw/zinc/01/95/09/353019509.db2.gz OYCGPKASWPGVFR-UFBFGSQYSA-N -1 1 298.264 2.677 20 30 CFEDMM C=C1CC(C)(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000633691119 355972611 /nfs/dbraw/zinc/97/26/11/355972611.db2.gz BSWWZSPAJMHMTI-UHFFFAOYSA-N -1 1 283.331 2.873 20 30 CFEDMM CC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000451677007 383681280 /nfs/dbraw/zinc/68/12/80/383681280.db2.gz BREZVKXJECDECZ-RYUDHWBXSA-N -1 1 296.392 2.646 20 30 CFEDMM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000191002366 189579978 /nfs/dbraw/zinc/57/99/78/189579978.db2.gz WMMYAXDTZBQCOK-FZMZJTMJSA-N -1 1 272.348 2.820 20 30 CFEDMM C=C(C)[C@H](CC(=O)Nc1c([O-])cccc1F)OCC ZINC000677404931 541853939 /nfs/dbraw/zinc/85/39/39/541853939.db2.gz JSUQYFSAHYKPHE-LBPRGKRZSA-N -1 1 267.300 2.841 20 30 CFEDMM Cc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000036714169 372586423 /nfs/dbraw/zinc/58/64/23/372586423.db2.gz CDCWLNKSVGIPSC-UHFFFAOYSA-N -1 1 270.214 2.768 20 30 CFEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc(Cl)cc1[O-] ZINC000042448250 372924687 /nfs/dbraw/zinc/92/46/87/372924687.db2.gz TXTDJSIPKUZMIE-SECBINFHSA-N -1 1 266.728 2.667 20 30 CFEDMM CC(C)N(CCC#N)C(=O)c1ccc(Cl)cc1[O-] ZINC000042530064 372931143 /nfs/dbraw/zinc/93/11/43/372931143.db2.gz DKPPSEZTAJTQDY-UHFFFAOYSA-N -1 1 266.728 2.810 20 30 CFEDMM C=C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000264118360 190092317 /nfs/dbraw/zinc/09/23/17/190092317.db2.gz QICRPVYMOIPZEI-UHFFFAOYSA-N -1 1 251.713 2.838 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000123032604 376945151 /nfs/dbraw/zinc/94/51/51/376945151.db2.gz CXYCANKALKWUFB-UHFFFAOYSA-N -1 1 277.292 2.606 20 30 CFEDMM C=C(C)CN(CC)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000125683528 377183348 /nfs/dbraw/zinc/18/33/48/377183348.db2.gz VJJHASWLFPYZAH-UHFFFAOYSA-N -1 1 285.347 2.682 20 30 CFEDMM C=C(C)CN(CC)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000125683528 377183356 /nfs/dbraw/zinc/18/33/56/377183356.db2.gz VJJHASWLFPYZAH-UHFFFAOYSA-N -1 1 285.347 2.682 20 30 CFEDMM C=CCCOCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000129609765 377452500 /nfs/dbraw/zinc/45/25/00/377452500.db2.gz OMXPBHMKSKGGRX-UHFFFAOYSA-N -1 1 285.343 2.868 20 30 CFEDMM N#CC(=C([O-])c1c[nH]c(C#N)c1)c1ccc2ccccc2n1 ZINC000679369506 542181477 /nfs/dbraw/zinc/18/14/77/542181477.db2.gz XBLHHTBQYIPXLI-AWEZNQCLSA-N -1 1 286.294 2.925 20 30 CFEDMM COc1cc(C(=O)NCC2CCOCC2)cc(Cl)c1[O-] ZINC000331269473 378661873 /nfs/dbraw/zinc/66/18/73/378661873.db2.gz LUCSYNRGTZPJRX-UHFFFAOYSA-N -1 1 299.754 2.785 20 30 CFEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)[C@H](C)C1 ZINC000335548021 379490007 /nfs/dbraw/zinc/49/00/07/379490007.db2.gz AVWSVTSIMOOQMH-GHMZBOCLSA-N -1 1 258.321 2.524 20 30 CFEDMM CCn1nccc1/C=C1\CCc2cc([O-])ccc2C1=O ZINC000178879012 380491901 /nfs/dbraw/zinc/49/19/01/380491901.db2.gz JNLSVKRBYDCSQP-FMIVXFBMSA-N -1 1 268.316 2.821 20 30 CFEDMM CC[C@H](CC#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000183899084 381335697 /nfs/dbraw/zinc/33/56/97/381335697.db2.gz MNKZMXNTONZHEH-CYBMUJFWSA-N -1 1 268.316 2.967 20 30 CFEDMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000187181124 382121541 /nfs/dbraw/zinc/12/15/41/382121541.db2.gz VFFOBVBOJVESII-UHFFFAOYSA-N -1 1 286.356 2.921 20 30 CFEDMM CCc1cc(=O)[n-]c(SCc2ccc(C#N)cc2F)n1 ZINC000188123363 382349231 /nfs/dbraw/zinc/34/92/31/382349231.db2.gz SHIXFVYZTXOZKV-UHFFFAOYSA-N -1 1 289.335 2.635 20 30 CFEDMM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188502507 382426468 /nfs/dbraw/zinc/42/64/68/382426468.db2.gz QYLPYQYMMDGQAR-RISCZKNCSA-N -1 1 272.348 2.962 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@H]2c2ccccc2)cc1[O-] ZINC000188478492 382421345 /nfs/dbraw/zinc/42/13/45/382421345.db2.gz VWQPCCSFUMMBEN-CVEARBPZSA-N -1 1 292.338 2.797 20 30 CFEDMM Cc1cccc(C)c1CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188867580 382495911 /nfs/dbraw/zinc/49/59/11/382495911.db2.gz RSGJFHBIGJTQPR-UHFFFAOYSA-N -1 1 294.354 2.853 20 30 CFEDMM C=CCCCCCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193610542 382721530 /nfs/dbraw/zinc/72/15/30/382721530.db2.gz CYULGAPVDZKCGC-UHFFFAOYSA-N -1 1 293.323 2.514 20 30 CFEDMM C=CCSCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000194580972 382748998 /nfs/dbraw/zinc/74/89/98/382748998.db2.gz XGVWBZFJGRNDCI-UHFFFAOYSA-N -1 1 271.769 2.695 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000194790820 382754055 /nfs/dbraw/zinc/75/40/55/382754055.db2.gz DIEUVDFPMNMHNI-UHFFFAOYSA-N -1 1 274.361 2.933 20 30 CFEDMM CCCCN(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000442627253 382938924 /nfs/dbraw/zinc/93/89/24/382938924.db2.gz ISICXGLDTWEDQA-UHFFFAOYSA-N -1 1 258.321 2.669 20 30 CFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C#N)cc1 ZINC000442629698 382939218 /nfs/dbraw/zinc/93/92/18/382939218.db2.gz RQYCUPXHXBUFAE-LLVKDONJSA-N -1 1 291.310 2.627 20 30 CFEDMM C=C(CC)C[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000580949508 383082653 /nfs/dbraw/zinc/08/26/53/383082653.db2.gz PILZJPRNYJCQMN-UHFFFAOYSA-N -1 1 282.390 2.541 20 30 CFEDMM N#C[C@]1(C(=O)Nc2cccc(F)c2[O-])CC12CCCC2 ZINC000530004245 383763247 /nfs/dbraw/zinc/76/32/47/383763247.db2.gz IILZQMIPVVZMRU-HNNXBMFYSA-N -1 1 274.295 2.944 20 30 CFEDMM C=C(CNC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000436733612 383884893 /nfs/dbraw/zinc/88/48/93/383884893.db2.gz HXABTPFRSYKKFY-UHFFFAOYSA-N -1 1 271.291 2.975 20 30 CFEDMM N#Cc1cccc(C2(NC(=O)c3c([O-])cccc3F)CC2)c1 ZINC000436733644 383885413 /nfs/dbraw/zinc/88/54/13/383885413.db2.gz IHNQVOOPJLZIKT-UHFFFAOYSA-N -1 1 296.301 2.822 20 30 CFEDMM C=CCN(C(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000641896941 384390664 /nfs/dbraw/zinc/39/06/64/384390664.db2.gz TWUSIJYPMRACNJ-UHFFFAOYSA-N -1 1 269.300 2.931 20 30 CFEDMM C=CCOCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000269608890 384802394 /nfs/dbraw/zinc/80/23/94/384802394.db2.gz DLGLZWWQVMHOND-UHFFFAOYSA-N -1 1 269.728 2.967 20 30 CFEDMM C=CCN(CCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000238082443 131076490 /nfs/dbraw/zinc/07/64/90/131076490.db2.gz LSPLYGWODZYJRZ-UHFFFAOYSA-N -1 1 259.758 2.864 20 30 CFEDMM C=CCCOCc1nc(-c2ccc([O-])cc2F)no1 ZINC000683592282 542702861 /nfs/dbraw/zinc/70/28/61/542702861.db2.gz YAVZXDIZCPRLDZ-UHFFFAOYSA-N -1 1 264.256 2.674 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])nc1 ZINC000107764277 393871220 /nfs/dbraw/zinc/87/12/20/393871220.db2.gz KYAPGAXQYGZDHF-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM C#C[C@H](C)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000491698698 394056669 /nfs/dbraw/zinc/05/66/69/394056669.db2.gz MCRMBZHMJZJARZ-NSHDSACASA-N -1 1 253.301 2.639 20 30 CFEDMM CC(C)(C#N)CN=c1[n-]c(-c2cccc(Cl)c2)no1 ZINC000359071871 394123054 /nfs/dbraw/zinc/12/30/54/394123054.db2.gz XFHKBBQFZMUQJE-UHFFFAOYSA-N -1 1 276.727 2.774 20 30 CFEDMM CC(C)(C#N)CN=c1nc(-c2cccc(Cl)c2)[n-]o1 ZINC000359071871 394123056 /nfs/dbraw/zinc/12/30/56/394123056.db2.gz XFHKBBQFZMUQJE-UHFFFAOYSA-N -1 1 276.727 2.774 20 30 CFEDMM CC(=Cc1cccc(F)c1F)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000520325029 394380053 /nfs/dbraw/zinc/38/00/53/394380053.db2.gz BKSWAGIDGLGJDW-SOFGYWHQSA-N -1 1 287.269 2.789 20 30 CFEDMM CC(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(F)(F)F ZINC000348062185 154302769 /nfs/dbraw/zinc/30/27/69/154302769.db2.gz BYDAXTAJQHIPEU-LLVKDONJSA-N -1 1 286.253 2.581 20 30 CFEDMM C[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)o1)CC(C)(C)C ZINC000344763078 162118176 /nfs/dbraw/zinc/11/81/76/162118176.db2.gz STABXMVMXITRDA-LLVKDONJSA-N -1 1 298.408 2.892 20 30 CFEDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000007409065 170283248 /nfs/dbraw/zinc/28/32/48/170283248.db2.gz OOMQKMKCKGDNST-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM C[C@@H]1CCCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336447575 287250682 /nfs/dbraw/zinc/25/06/82/287250682.db2.gz CVQCACKRXQKPOI-LLVKDONJSA-N -1 1 258.321 2.669 20 30 CFEDMM CC(C)(C)n1cc(/C=C2/CCc3cc([O-])ccc3C2=O)nn1 ZINC000191289837 262191146 /nfs/dbraw/zinc/19/11/46/262191146.db2.gz JTFPGEUORCQFQX-WQLSENKSSA-N -1 1 297.358 2.951 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000088475581 263053650 /nfs/dbraw/zinc/05/36/50/263053650.db2.gz FJRFJGLMJXYBQQ-SNVBAGLBSA-N -1 1 272.757 2.692 20 30 CFEDMM CC[C@H](NC(=O)c1c(F)ccc([O-])c1F)[C@H]1CCCO1 ZINC000330853377 264068793 /nfs/dbraw/zinc/06/87/93/264068793.db2.gz MOQBHUWCKBCAKM-GXSJLCMTSA-N -1 1 285.290 2.933 20 30 CFEDMM CC(C)CCN(CCC#N)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188545024 264223397 /nfs/dbraw/zinc/22/33/97/264223397.db2.gz XHPRNIJZKJVNCJ-UHFFFAOYSA-N -1 1 285.347 2.666 20 30 CFEDMM C=CCN(CCOC)C(=O)c1ccc2ccccc2c1[O-] ZINC000189416800 264296916 /nfs/dbraw/zinc/29/69/16/264296916.db2.gz QOYNUJPYBCLGRY-UHFFFAOYSA-N -1 1 285.343 2.820 20 30 CFEDMM C=CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000189470565 264301816 /nfs/dbraw/zinc/30/18/16/264301816.db2.gz YTIIRKCYHZXASF-UHFFFAOYSA-N -1 1 284.139 2.597 20 30 CFEDMM C[C@@H]1CCCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188827814 267011597 /nfs/dbraw/zinc/01/15/97/267011597.db2.gz IVPJLAUDYAZGNI-LLVKDONJSA-N -1 1 258.321 2.526 20 30 CFEDMM N#Cc1ccc(SCC(=O)c2ccc([O-])cc2)nc1 ZINC000515363808 270370361 /nfs/dbraw/zinc/37/03/61/270370361.db2.gz SWJHJKFSFSRKMT-UHFFFAOYSA-N -1 1 270.313 2.634 20 30 CFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076935462 280522166 /nfs/dbraw/zinc/52/21/66/280522166.db2.gz WROVTVJMTMASNM-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H]2CCCC[C@H]21 ZINC000248907463 281040345 /nfs/dbraw/zinc/04/03/45/281040345.db2.gz IHCTVOOXNNSELC-BYCMXARLSA-N -1 1 284.359 2.915 20 30 CFEDMM C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H](C)C1 ZINC000249047686 281046059 /nfs/dbraw/zinc/04/60/59/281046059.db2.gz FKLGMKRYFKKFQE-SUNKGSAMSA-N -1 1 272.348 2.818 20 30 CFEDMM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553483757 281877491 /nfs/dbraw/zinc/87/74/91/281877491.db2.gz YMDDAVRSXWIMBI-DGCLKSJQSA-N -1 1 296.392 2.788 20 30 CFEDMM Cc1cc(-c2cc3[nH]cnc3c(C#N)n2)ccc1C(=O)[O-] ZINC001243211897 782072840 /nfs/dbraw/zinc/07/28/40/782072840.db2.gz UZDGOSBIXPTCAG-UHFFFAOYSA-N -1 1 278.271 2.503 20 30 CFEDMM Cc1cnc(SCCCC2(C#N)CCOCC2)[n-]c1=O ZINC000570816703 327622415 /nfs/dbraw/zinc/62/24/15/327622415.db2.gz UONCRRYPSMRNIN-UHFFFAOYSA-N -1 1 293.392 2.683 20 30 CFEDMM N#CCC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000334330014 327668848 /nfs/dbraw/zinc/66/88/48/327668848.db2.gz JVPKAKBTJWLTDN-UHFFFAOYSA-N -1 1 278.739 2.811 20 30 CFEDMM C=CCC(C)(C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000340784943 328400360 /nfs/dbraw/zinc/40/03/60/328400360.db2.gz GEMVVWKLSDAKGE-UHFFFAOYSA-N -1 1 262.269 2.827 20 30 CFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(C)o1 ZINC000182820649 323884866 /nfs/dbraw/zinc/88/48/66/323884866.db2.gz DFTKBWZIVYQDDQ-UHFFFAOYSA-N -1 1 294.307 2.708 20 30 CFEDMM CS[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188519042 324017109 /nfs/dbraw/zinc/01/71/09/324017109.db2.gz YTSGTSSGNHWVPN-QWHCGFSZSA-N -1 1 290.388 2.668 20 30 CFEDMM N#Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000350579999 324236303 /nfs/dbraw/zinc/23/63/03/324236303.db2.gz OGFILFWZYMFFJY-UHFFFAOYSA-N -1 1 271.207 2.713 20 30 CFEDMM N#CC1(CNC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000584151101 327050421 /nfs/dbraw/zinc/05/04/21/327050421.db2.gz SIXIXLIVVDUJDH-UHFFFAOYSA-N -1 1 266.300 2.579 20 30 CFEDMM N#CCc1ccccc1NC(=O)c1ccccc1[O-] ZINC000555527070 327244342 /nfs/dbraw/zinc/24/43/42/327244342.db2.gz UWFBDNLWYXBYFM-UHFFFAOYSA-N -1 1 252.273 2.711 20 30 CFEDMM C[C@@H](C#N)CN(C)c1ccc(=N[C@@H](C)c2ccccc2)[n-]n1 ZINC000425205271 329639675 /nfs/dbraw/zinc/63/96/75/329639675.db2.gz IPXJPDZBVIMPRD-KBPBESRZSA-N -1 1 295.390 2.667 20 30 CFEDMM C#CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000270542211 330076408 /nfs/dbraw/zinc/07/64/08/330076408.db2.gz XLQYQLUPJFTGJV-SNVBAGLBSA-N -1 1 273.229 2.768 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000088475841 330376624 /nfs/dbraw/zinc/37/66/24/330376624.db2.gz DFUFGDAEJITPGB-MRVPVSSYSA-N -1 1 276.720 2.523 20 30 CFEDMM C#CCN(CC)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000491102573 332149996 /nfs/dbraw/zinc/14/99/96/332149996.db2.gz MXKTUZZOXSBTEE-UHFFFAOYSA-N -1 1 288.734 2.689 20 30 CFEDMM CC(C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000542710383 333838112 /nfs/dbraw/zinc/83/81/12/333838112.db2.gz KVKIHHSMWYTXAZ-UHFFFAOYSA-N -1 1 293.175 2.574 20 30 CFEDMM C=CCCC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000134811424 334104925 /nfs/dbraw/zinc/10/49/25/334104925.db2.gz VCYZXPGVSSPQJR-UHFFFAOYSA-N -1 1 292.282 2.828 20 30 CFEDMM Cc1nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)c(C)o1 ZINC000551816677 334263045 /nfs/dbraw/zinc/26/30/45/334263045.db2.gz LNNJXAMFIYAFAG-NSHDSACASA-N -1 1 294.314 2.966 20 30 CFEDMM N#CC(=C([O-])c1csc2c1CCCC2)c1ccncn1 ZINC000354473810 534740735 /nfs/dbraw/zinc/74/07/35/534740735.db2.gz QESSUAWCFCROLN-NSHDSACASA-N -1 1 283.356 2.907 20 30 CFEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC12CCC2 ZINC000335387182 524485345 /nfs/dbraw/zinc/48/53/45/524485345.db2.gz HUQKWQWTSGBMPS-GFCCVEGCSA-N -1 1 284.359 2.916 20 30 CFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000334663096 525270983 /nfs/dbraw/zinc/27/09/83/525270983.db2.gz LGVFBGWAXOUAMA-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1ccc(C(=O)NC2CCC(C(F)F)CC2)cc1[O-] ZINC000335128322 526593385 /nfs/dbraw/zinc/59/33/85/526593385.db2.gz HDCKHDJHAWMZSW-UHFFFAOYSA-N -1 1 294.301 2.818 20 30 CFEDMM CC[C@H]1CCC[C@@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000452537257 536074790 /nfs/dbraw/zinc/07/47/90/536074790.db2.gz ZYEFXEQLUPZTQX-SMDDNHRTSA-N -1 1 272.348 2.820 20 30 CFEDMM C#CCOc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000730980445 574106488 /nfs/dbraw/zinc/10/64/88/574106488.db2.gz KNULWQYBGHDVQF-UHFFFAOYSA-N -1 1 297.310 2.665 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cccc(C)c2C)n1 ZINC000731153017 574111357 /nfs/dbraw/zinc/11/13/57/574111357.db2.gz VSOXLSGVBONCAP-UHFFFAOYSA-N -1 1 256.309 2.553 20 30 CFEDMM COc1ccc(CCNN=Cc2cccc(F)c2[O-])cc1 ZINC000755732240 574182638 /nfs/dbraw/zinc/18/26/38/574182638.db2.gz CIFKPVQGIFWUES-UHFFFAOYSA-N -1 1 288.322 2.706 20 30 CFEDMM Cc1nc(Cl)cc(NN=Cc2cc(C(=O)[O-])cs2)n1 ZINC000755743115 574183603 /nfs/dbraw/zinc/18/36/03/574183603.db2.gz JRMSNBNRLNTDGS-UHFFFAOYSA-N -1 1 296.739 2.644 20 30 CFEDMM O=c1[nH]c(NN=Cc2cccc(F)c2[O-])nc2ccccc12 ZINC000755765660 574185692 /nfs/dbraw/zinc/18/56/92/574185692.db2.gz IEMBATFUGSDQMB-UHFFFAOYSA-N -1 1 298.277 2.626 20 30 CFEDMM N#Cc1ccc([C@@H](NCc2ccccc2F)C(=O)[O-])cc1 ZINC000739104624 574198764 /nfs/dbraw/zinc/19/87/64/574198764.db2.gz CJJDUGITUKPANV-OAHLLOKOSA-N -1 1 284.290 2.613 20 30 CFEDMM O=C([O-])c1ccc(CN=Nc2cccc(C(F)(F)F)n2)o1 ZINC000740123869 574237580 /nfs/dbraw/zinc/23/75/80/574237580.db2.gz QWCQIQXUXKELDE-UHFFFAOYSA-N -1 1 299.208 2.838 20 30 CFEDMM N#CC1([N-]C(=O)C(F)(F)c2nccs2)CCCCC1 ZINC000756627210 574253265 /nfs/dbraw/zinc/25/32/65/574253265.db2.gz PDBRXYDAVMOSCV-UHFFFAOYSA-N -1 1 285.319 2.578 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1occc1C ZINC000756901714 574271993 /nfs/dbraw/zinc/27/19/93/574271993.db2.gz XYOUBMUHAFGQSG-UHFFFAOYSA-N -1 1 274.276 2.741 20 30 CFEDMM O=C([O-])c1ccccc1NN=Cc1cc(F)c(O)c(F)c1 ZINC000749858958 574312895 /nfs/dbraw/zinc/31/28/95/574312895.db2.gz LXYFOUYQOVPFKP-UHFFFAOYSA-N -1 1 292.241 2.815 20 30 CFEDMM O=C([O-])C[C@@H]1CCCN(CC#Cc2ccccc2Cl)C1 ZINC000821516670 597367575 /nfs/dbraw/zinc/36/75/75/597367575.db2.gz UJRWNKZRCWENQP-ZDUSSCGKSA-N -1 1 291.778 2.878 20 30 CFEDMM Cc1ccc(C)c(NN=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822231681 599335451 /nfs/dbraw/zinc/33/54/51/599335451.db2.gz CVSQTYNOSLNZQH-UHFFFAOYSA-N -1 1 282.307 2.523 20 30 CFEDMM Cc1ccc(C)c(NN=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822231681 599335453 /nfs/dbraw/zinc/33/54/53/599335453.db2.gz CVSQTYNOSLNZQH-UHFFFAOYSA-N -1 1 282.307 2.523 20 30 CFEDMM CCCCCC[C@@H](C)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821049227 599342204 /nfs/dbraw/zinc/34/22/04/599342204.db2.gz JDINAGPWUDIISV-LLVKDONJSA-N -1 1 290.371 2.742 20 30 CFEDMM CCCCCC[C@@H](C)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821049227 599342207 /nfs/dbraw/zinc/34/22/07/599342207.db2.gz JDINAGPWUDIISV-LLVKDONJSA-N -1 1 290.371 2.742 20 30 CFEDMM O=C([O-])c1ccccc1C=NNc1cnc2ccccc2n1 ZINC000727256905 600055569 /nfs/dbraw/zinc/05/55/69/600055569.db2.gz ZBVQBYGCESHYFK-UHFFFAOYSA-N -1 1 292.298 2.774 20 30 CFEDMM Cc1ccnc(NN=Cc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000830612211 603822785 /nfs/dbraw/zinc/82/27/85/603822785.db2.gz WNBFONZIJOJBPQ-UHFFFAOYSA-N -1 1 296.330 2.877 20 30 CFEDMM O=C(C=Cc1cc(-c2nn[nH]n2)cs1)c1ccc([O-])cc1 ZINC000822923574 606302887 /nfs/dbraw/zinc/30/28/87/606302887.db2.gz SYICYTUKYQMVLM-AATRIKPKSA-N -1 1 298.327 2.530 20 30 CFEDMM CC(C)(C)CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824079660 607887073 /nfs/dbraw/zinc/88/70/73/607887073.db2.gz RDDQNFGOWQSJFX-UHFFFAOYSA-N -1 1 291.359 2.596 20 30 CFEDMM O=C(C=Cc1ccc(O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400584 608093851 /nfs/dbraw/zinc/09/38/51/608093851.db2.gz BWSZPNDCZWMIHM-UTCJRWHESA-N -1 1 298.327 2.530 20 30 CFEDMM O=C(C=Cc1ccc(O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400584 608093852 /nfs/dbraw/zinc/09/38/52/608093852.db2.gz BWSZPNDCZWMIHM-UTCJRWHESA-N -1 1 298.327 2.530 20 30 CFEDMM CC(C)[C@@H](C#N)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900634832 620697382 /nfs/dbraw/zinc/69/73/82/620697382.db2.gz NSJCXCIBTSJORB-CQSZACIVSA-N -1 1 284.315 2.529 20 30 CFEDMM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000234028166 617792701 /nfs/dbraw/zinc/79/27/01/617792701.db2.gz RHWORWVLUCHPOW-ZCFIWIBFSA-N -1 1 298.216 2.745 20 30 CFEDMM C#CCN(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000804834915 617906333 /nfs/dbraw/zinc/90/63/33/617906333.db2.gz SCJUGTUOLSSFQZ-UHFFFAOYSA-N -1 1 283.302 2.807 20 30 CFEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000160158988 617604774 /nfs/dbraw/zinc/60/47/74/617604774.db2.gz ZDUYVAWUORETAG-LLVKDONJSA-N -1 1 299.355 2.667 20 30 CFEDMM C=CC[C@H]1CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000890561801 617654232 /nfs/dbraw/zinc/65/42/32/617654232.db2.gz KXUGEZQRVRHMRV-JTQLQIEISA-N -1 1 251.713 2.836 20 30 CFEDMM C=C(C)CNN=Cc1ccc([O-])c(Br)c1 ZINC000811651231 617664317 /nfs/dbraw/zinc/66/43/17/617664317.db2.gz MRCUDBJFQPAMOY-UHFFFAOYSA-N -1 1 269.142 2.654 20 30 CFEDMM C=CCCCN(CC)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000890814076 617909465 /nfs/dbraw/zinc/90/94/65/617909465.db2.gz UAADAMPPGGPGSC-UHFFFAOYSA-N -1 1 295.408 2.641 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NNC1CCSCC1 ZINC000901276664 620775245 /nfs/dbraw/zinc/77/52/45/620775245.db2.gz TTWDMXDCDPUZES-UHFFFAOYSA-N -1 1 268.357 2.659 20 30 CFEDMM C[C@H]1CCCCN1N=Cc1ncc(Br)cc1[O-] ZINC000901261488 620777701 /nfs/dbraw/zinc/77/77/01/620777701.db2.gz JYAOALOAPLXLGL-VIFPVBQESA-N -1 1 298.184 2.758 20 30 CFEDMM C[C@@H]1CC(NN=Cc2ccc([O-])c(F)c2F)C[C@@H](C)O1 ZINC000901301023 620779694 /nfs/dbraw/zinc/77/96/94/620779694.db2.gz VMJHXTRDLBKUJP-RKDXNWHRSA-N -1 1 284.306 2.550 20 30 CFEDMM C[C@@H]1CC(NN=Cc2cccc([O-])c2Cl)C[C@@H](C)O1 ZINC000901305217 620781121 /nfs/dbraw/zinc/78/11/21/620781121.db2.gz XSWHPPIJYFYTSD-NXEZZACHSA-N -1 1 282.771 2.925 20 30 CFEDMM CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000901312035 620782946 /nfs/dbraw/zinc/78/29/46/620782946.db2.gz ZEEBCXBTMFTPJC-UWVGGRQHSA-N -1 1 280.343 2.801 20 30 CFEDMM O=C([C@H]1CCCO1)N([O-])Cc1cccc2ccccc21 ZINC000901367483 620796489 /nfs/dbraw/zinc/79/64/89/620796489.db2.gz HXIRXZUZHJGMDQ-OAHLLOKOSA-N -1 1 271.316 2.737 20 30 CFEDMM O=C(COCC(F)F)N([O-])Cc1cccc2ccccc21 ZINC000901370642 620796621 /nfs/dbraw/zinc/79/66/21/620796621.db2.gz BVVWPIIFJPTLIF-UHFFFAOYSA-N -1 1 295.285 2.839 20 30 CFEDMM O=C(/C=C\c1cccc2nccn21)c1cc(O)ccc1[O-] ZINC000255871213 618447850 /nfs/dbraw/zinc/44/78/50/618447850.db2.gz ZHFYRZQKQQWVRM-XQRVVYSFSA-N -1 1 280.283 2.642 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2sccc2Cl)c(=O)o1 ZINC000195333059 618949973 /nfs/dbraw/zinc/94/99/73/618949973.db2.gz MLQNVFHQQNYWHV-JDGPPOGSSA-N -1 1 296.731 2.630 20 30 CFEDMM C#CCN(Cc1cccc([O-])c1Cl)C1CSC1 ZINC000895813817 619613198 /nfs/dbraw/zinc/61/31/98/619613198.db2.gz IPGNJUXQGPFRQL-UHFFFAOYSA-N -1 1 267.781 2.596 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cnn(C2CCC2)c1 ZINC000899345696 620547218 /nfs/dbraw/zinc/54/72/18/620547218.db2.gz RSHDRYWVHANNPO-GIDUJCDVSA-N -1 1 282.299 2.930 20 30 CFEDMM C#CCOc1cccc(Cl)c1CN(CC)CCC(=O)[O-] ZINC000901601521 620871733 /nfs/dbraw/zinc/87/17/33/620871733.db2.gz IKWTVOMAAAMQED-UHFFFAOYSA-N -1 1 295.766 2.649 20 30 CFEDMM CCCCOCC(=O)N([O-])Cc1ccccc1Cl ZINC000904188554 621545419 /nfs/dbraw/zinc/54/54/19/621545419.db2.gz DSGGGUWYSFRQAW-UHFFFAOYSA-N -1 1 271.744 2.875 20 30 CFEDMM C[C@@H]1C[C@H](C)[C@@H](C(=O)N([O-])Cc2ccccc2Cl)O1 ZINC000904193186 621546985 /nfs/dbraw/zinc/54/69/85/621546985.db2.gz LKXRCHKLVYLLAK-CWSCBRNRSA-N -1 1 283.755 2.871 20 30 CFEDMM C=CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000908466532 622232926 /nfs/dbraw/zinc/23/29/26/622232926.db2.gz MTSLNCSDQPVAON-UHFFFAOYSA-N -1 1 295.191 2.631 20 30 CFEDMM CC(C)(C#N)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909986156 622380365 /nfs/dbraw/zinc/38/03/65/622380365.db2.gz BKWFNEBZNBPDIP-UHFFFAOYSA-N -1 1 254.236 2.549 20 30 CFEDMM C=C(C)[C@@H](CC(=O)Nc1cc(F)cc(F)c1[O-])OCC ZINC000910983405 622494551 /nfs/dbraw/zinc/49/45/51/622494551.db2.gz QJSILOXYNVCIDD-GFCCVEGCSA-N -1 1 285.290 2.980 20 30 CFEDMM CCC(F)(F)C(=O)[N-][C@H](C#N)c1ccc(F)cc1 ZINC000820507411 622691113 /nfs/dbraw/zinc/69/11/13/622691113.db2.gz NANBSGMDWYYNLH-SNVBAGLBSA-N -1 1 256.227 2.552 20 30 CFEDMM Nc1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cn1 ZINC000821037403 622827586 /nfs/dbraw/zinc/82/75/86/622827586.db2.gz BRMBAWDEPOSTMT-GHXNOFRVSA-N -1 1 266.300 2.582 20 30 CFEDMM O=C(/C=C/c1cnc2ccccn12)c1cc(O)ccc1[O-] ZINC000156653039 622952834 /nfs/dbraw/zinc/95/28/34/622952834.db2.gz FOAHIPUTWJRCMU-GQCTYLIASA-N -1 1 280.283 2.642 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000913801334 623595488 /nfs/dbraw/zinc/59/54/88/623595488.db2.gz PZTMJLVCZDCUTC-FZMZJTMJSA-N -1 1 295.766 2.643 20 30 CFEDMM CCn1nccc1/C=C/C(=O)c1cc(C)ccc1[O-] ZINC000152668808 623750808 /nfs/dbraw/zinc/75/08/08/623750808.db2.gz YCCROCJIJDVTDA-FNORWQNLSA-N -1 1 256.305 2.813 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(F)cc1F ZINC000916241458 624230254 /nfs/dbraw/zinc/23/02/54/624230254.db2.gz CLMBMELLHQRHHC-UHFFFAOYSA-N -1 1 278.262 2.605 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC(F)(C3CC3)CC2)cc1[O-] ZINC000834570934 625718256 /nfs/dbraw/zinc/71/82/56/625718256.db2.gz WVZOVUGHYNJQAZ-UHFFFAOYSA-N -1 1 288.322 2.618 20 30 CFEDMM CCC(C#N)(CC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834818017 625876625 /nfs/dbraw/zinc/87/66/25/625876625.db2.gz DNYLWQVAVRENEL-UHFFFAOYSA-N -1 1 280.755 2.992 20 30 CFEDMM C=CCOCCCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829246 625888463 /nfs/dbraw/zinc/88/84/63/625888463.db2.gz PNFUKIKOFKVGIK-UHFFFAOYSA-N -1 1 283.755 2.645 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC(C)CCCc2cccnc2)n1 ZINC000834912160 625920334 /nfs/dbraw/zinc/92/03/34/625920334.db2.gz JHJVGVFMQQDQRE-UHFFFAOYSA-N -1 1 285.351 2.696 20 30 CFEDMM C[C@@H]1C[C@@H]1c1ccc(CN=Nc2ccc(C(=O)[O-])nc2)o1 ZINC000835007434 625954525 /nfs/dbraw/zinc/95/45/25/625954525.db2.gz TWZSDARZEWTVPV-SKDRFNHKSA-N -1 1 285.303 2.942 20 30 CFEDMM O=C(/C=C/c1ccc(O)c(F)c1)c1cc(O)ccc1[O-] ZINC000121328043 626487318 /nfs/dbraw/zinc/48/73/18/626487318.db2.gz IHBVUCANFZXJOU-DAFODLJHSA-N -1 1 274.247 2.839 20 30 CFEDMM CCCCCCCC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000805047991 626541582 /nfs/dbraw/zinc/54/15/82/626541582.db2.gz HOHHHULKHBWUQZ-UHFFFAOYSA-N -1 1 284.381 2.790 20 30 CFEDMM CCCCCCCCCCN1CCO[C@H](C(=O)[O-])C1 ZINC000103502278 626547465 /nfs/dbraw/zinc/54/74/65/626547465.db2.gz PMXJATOMQDUMEM-AWEZNQCLSA-N -1 1 271.401 2.913 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2c(C)n[nH]c2C)c1 ZINC000757468177 626552926 /nfs/dbraw/zinc/55/29/26/626552926.db2.gz OVUBKTMYZBUGMC-ALCCZGGFSA-N -1 1 272.304 2.637 20 30 CFEDMM Cc1cc(C=NNc2nc(C)cc(=O)[n-]2)c(C)s1 ZINC000760218695 626720620 /nfs/dbraw/zinc/72/06/20/626720620.db2.gz OXGRKHBSRHMLSM-UHFFFAOYSA-N -1 1 262.338 2.615 20 30 CFEDMM O=C([O-])c1ccc(N=NCc2cc(F)c(F)c(F)c2)nc1 ZINC000763371475 626983688 /nfs/dbraw/zinc/98/36/88/626983688.db2.gz BHJPJWOQKYCDDP-UHFFFAOYSA-N -1 1 295.220 2.643 20 30 CFEDMM CCCCCCCCCC(=O)[N-]O[C@@H]1CCCN(C)C1=O ZINC000764939635 627107925 /nfs/dbraw/zinc/10/79/25/627107925.db2.gz KRAYMFPCKAVJBI-CQSZACIVSA-N -1 1 298.427 2.796 20 30 CFEDMM C#CCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000765473894 627140477 /nfs/dbraw/zinc/14/04/77/627140477.db2.gz PFYGOUHWBKUORP-UHFFFAOYSA-N -1 1 259.088 2.879 20 30 CFEDMM CC(C)[C@H](C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000766641424 627212717 /nfs/dbraw/zinc/21/27/17/627212717.db2.gz YROASLDOZRACAU-NSHDSACASA-N -1 1 270.254 2.582 20 30 CFEDMM CC(C)C[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000768140489 627320120 /nfs/dbraw/zinc/32/01/20/627320120.db2.gz PXTOIOXGDGPGDQ-LBPRGKRZSA-N -1 1 284.281 2.972 20 30 CFEDMM CC(=NN[C@@H](C)CC#N)c1ccc([O-])c(Cl)c1 ZINC000768784932 627373170 /nfs/dbraw/zinc/37/31/70/627373170.db2.gz WCWRZHQGJXNTCN-QMMMGPOBSA-N -1 1 251.717 2.661 20 30 CFEDMM CC(=NNCC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000769809328 627476640 /nfs/dbraw/zinc/47/66/40/627476640.db2.gz ZZTCAFASTBOUCR-UHFFFAOYSA-N -1 1 268.185 2.546 20 30 CFEDMM O=c1ccc2c([nH]1)CCC(=Cc1ccc([O-])c(F)c1)C2=O ZINC000769616393 627462050 /nfs/dbraw/zinc/46/20/50/627462050.db2.gz XPHSBTDSKRQMHS-JXMROGBWSA-N -1 1 285.274 2.844 20 30 CFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000770392987 627518707 /nfs/dbraw/zinc/51/87/07/627518707.db2.gz IWQGRVOVKPDAGB-VIFPVBQESA-N -1 1 289.759 2.559 20 30 CFEDMM CCCCCCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770652088 627538124 /nfs/dbraw/zinc/53/81/24/627538124.db2.gz HVPFLBYVIAXTNQ-UHFFFAOYSA-N -1 1 295.339 2.786 20 30 CFEDMM C=CCN(Cn1[n-]c(-c2ccccn2)nc1=S)C1CC1 ZINC000771639185 627620209 /nfs/dbraw/zinc/62/02/09/627620209.db2.gz GKNFJBWXFPNBDG-UHFFFAOYSA-N -1 1 287.392 2.611 20 30 CFEDMM O=C([O-])c1ccc([N-][NH+]=C2CCCNc3ccccc32)nc1 ZINC000774395277 627921217 /nfs/dbraw/zinc/92/12/17/627921217.db2.gz BBMPBRGGRCGAIR-UHFFFAOYSA-N -1 1 296.330 2.802 20 30 CFEDMM CC(N=Nc1ccc(F)cn1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776767955 628176324 /nfs/dbraw/zinc/17/63/24/628176324.db2.gz BKIJXBCILUFADT-UHFFFAOYSA-N -1 1 291.257 2.894 20 30 CFEDMM CC1(C)C[C@H](NN=Cc2ccc([O-])c(Cl)c2)CCO1 ZINC000780250216 628445333 /nfs/dbraw/zinc/44/53/33/628445333.db2.gz NMDNVECWAUWWBU-LLVKDONJSA-N -1 1 282.771 2.927 20 30 CFEDMM COc1ccc(NN=C(C)c2ccc(F)cc2[O-])nc1 ZINC000780268059 628448478 /nfs/dbraw/zinc/44/84/78/628448478.db2.gz CTSNKKYTCMZHJC-UHFFFAOYSA-N -1 1 275.283 2.771 20 30 CFEDMM COc1ccc(N=NC(C)c2cccc(C(=O)[O-])c2)nc1 ZINC000780274677 628449239 /nfs/dbraw/zinc/44/92/39/628449239.db2.gz HSEGMIIQQMOINU-UHFFFAOYSA-N -1 1 285.303 2.625 20 30 CFEDMM CC[C@@H](C#N)OC(=O)c1ccc(Br)c([O-])c1 ZINC000781198278 628531899 /nfs/dbraw/zinc/53/18/99/628531899.db2.gz UEVXZSLRYKTAAK-QMMMGPOBSA-N -1 1 284.109 2.614 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1C=NOC[C@@H]1CCOC1 ZINC000790173933 629215896 /nfs/dbraw/zinc/21/58/96/629215896.db2.gz KKXRHODNCYGPIR-MRVPVSSYSA-N -1 1 273.691 2.572 20 30 CFEDMM CC[C@@H](C)NN=Cc1cccc(Br)c1[O-] ZINC000790186292 629217561 /nfs/dbraw/zinc/21/75/61/629217561.db2.gz BJMMKNJRUKCEAQ-MRVPVSSYSA-N -1 1 271.158 2.877 20 30 CFEDMM C=CCc1ccccc1OC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796731907 629957212 /nfs/dbraw/zinc/95/72/12/629957212.db2.gz KBGZFASUDTWOJP-UHFFFAOYSA-N -1 1 285.299 2.749 20 30 CFEDMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1C#N ZINC000799713079 630337774 /nfs/dbraw/zinc/33/77/74/630337774.db2.gz OZMATYKZVBWIPL-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM CC(=NN[C@@H]1CCSC1)c1ccc([O-])c(Cl)c1 ZINC000808001349 630937478 /nfs/dbraw/zinc/93/74/78/630937478.db2.gz AGPUWLHXEUXQOL-SNVBAGLBSA-N -1 1 270.785 2.865 20 30 CFEDMM C#CCC(C)(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000837086617 630950878 /nfs/dbraw/zinc/95/08/78/630950878.db2.gz PVCVNMDXAZYRID-UHFFFAOYSA-N -1 1 253.248 2.658 20 30 CFEDMM CC(C)(C)SCCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000809660048 631258010 /nfs/dbraw/zinc/25/80/10/631258010.db2.gz AFCIWTNKLUAAKR-UHFFFAOYSA-N -1 1 278.377 2.525 20 30 CFEDMM CN(CCc1ccccc1F)C(=O)c1cc([O-])cc(C#N)c1 ZINC000809676288 631260914 /nfs/dbraw/zinc/26/09/14/631260914.db2.gz QKOUWKLBHHPXNO-UHFFFAOYSA-N -1 1 298.317 2.718 20 30 CFEDMM C#CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000809736681 631274083 /nfs/dbraw/zinc/27/40/83/631274083.db2.gz FUBFKEFLNOKDSN-KRWDZBQOSA-N -1 1 290.322 2.758 20 30 CFEDMM Cc1cc(/C=C/C(=O)c2c(C)cc(C)cc2[O-])n(C)n1 ZINC000841486301 631415440 /nfs/dbraw/zinc/41/54/40/631415440.db2.gz DLPBZQOOERMGNL-AATRIKPKSA-N -1 1 270.332 2.947 20 30 CFEDMM CC[C@@H](C)NN=Cc1cccc([O-])c1Br ZINC000841637142 631439359 /nfs/dbraw/zinc/43/93/59/631439359.db2.gz GTYXMMXBFOYIDR-MRVPVSSYSA-N -1 1 271.158 2.877 20 30 CFEDMM C[C@@H](COc1ccccc1)NN=Cc1cccc(F)c1[O-] ZINC000811666202 631601641 /nfs/dbraw/zinc/60/16/41/631601641.db2.gz AJJCCHWBMGHFOM-LBPRGKRZSA-N -1 1 288.322 2.922 20 30 CFEDMM O=C(/C=C\c1cnn(CC(F)F)c1)c1ccc([O-])cc1 ZINC000814187109 632027893 /nfs/dbraw/zinc/02/78/93/632027893.db2.gz ZSAUOJYRZMSERT-BHQIHCQQSA-N -1 1 278.258 2.750 20 30 CFEDMM O=[N+]([O-])c1ccc(N=NCc2cccc([O-])c2Cl)nc1 ZINC000814805652 632128053 /nfs/dbraw/zinc/12/80/53/632128053.db2.gz GGPSGNORHCVDAI-UHFFFAOYSA-N -1 1 292.682 2.795 20 30 CFEDMM CC(=NN[C@H](C)CC#N)c1ccc([O-])c(Br)c1 ZINC000844588714 632255574 /nfs/dbraw/zinc/25/55/74/632255574.db2.gz GGNYAKAIHUEGFH-MRVPVSSYSA-N -1 1 296.168 2.770 20 30 CFEDMM Cc1nc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)c(C)o1 ZINC000815908174 632331928 /nfs/dbraw/zinc/33/19/28/632331928.db2.gz VFSYNIFALBJAKZ-CYBMUJFWSA-N -1 1 297.314 2.561 20 30 CFEDMM C=CCC(C)(C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000816427411 632454307 /nfs/dbraw/zinc/45/43/07/632454307.db2.gz XDVUPAGHOPKZBH-UHFFFAOYSA-N -1 1 254.717 2.981 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1coc2cc(C)ccc12 ZINC000846542201 632731100 /nfs/dbraw/zinc/73/11/00/632731100.db2.gz WQKDUBQPTUNIKR-LLVKDONJSA-N -1 1 259.305 2.906 20 30 CFEDMM C#C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000848280902 633230665 /nfs/dbraw/zinc/23/06/65/633230665.db2.gz PNHLJYHHRBJZJC-SNVBAGLBSA-N -1 1 297.276 2.896 20 30 CFEDMM O=C(/C=C/c1cc2n(n1)CCCC2)c1ccc([O-])cc1 ZINC000848638602 633305776 /nfs/dbraw/zinc/30/57/76/633305776.db2.gz JTKDMYDRTWHVAQ-RMKNXTFCSA-N -1 1 268.316 2.821 20 30 CFEDMM C[C@H](CC#N)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680496 635312569 /nfs/dbraw/zinc/31/25/69/635312569.db2.gz RZCFOHSQLPRMSG-ZCFIWIBFSA-N -1 1 256.664 2.673 20 30 CFEDMM C#C[C@](C)(CC)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000854694418 635368402 /nfs/dbraw/zinc/36/84/02/635368402.db2.gz BDXHCQSNJPXQTB-OAHLLOKOSA-N -1 1 295.766 2.976 20 30 CFEDMM C=CCCO[N-]C(=O)[C@H](CC)c1ccc(F)cc1 ZINC000856033892 635709146 /nfs/dbraw/zinc/70/91/46/635709146.db2.gz VQYGVIULMDSLKE-CYBMUJFWSA-N -1 1 251.301 2.943 20 30 CFEDMM C=CCCO[N-]C(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC000856034781 635709696 /nfs/dbraw/zinc/70/96/96/635709696.db2.gz UTIAAKYTYDYIMA-AWEZNQCLSA-N -1 1 263.337 2.813 20 30 CFEDMM CC(=O)CCCCCCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000862078781 637271907 /nfs/dbraw/zinc/27/19/07/637271907.db2.gz ISFWAJGQWZKECX-UHFFFAOYSA-N -1 1 288.347 2.533 20 30 CFEDMM C#CC[C@@H]1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000862561821 637429173 /nfs/dbraw/zinc/42/91/73/637429173.db2.gz QYKCLNBXFPELKC-SNVBAGLBSA-N -1 1 293.750 2.540 20 30 CFEDMM C#CC[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000862562116 637429374 /nfs/dbraw/zinc/42/93/74/637429374.db2.gz VGFUOJNWQMNGAA-JTQLQIEISA-N -1 1 263.724 2.531 20 30 CFEDMM C=C(C)CN(Cc1cn(C)nc1C(=O)[O-])Cc1ccccc1 ZINC000864785476 638092019 /nfs/dbraw/zinc/09/20/19/638092019.db2.gz DKJIFTPALDAOEK-UHFFFAOYSA-N -1 1 299.374 2.697 20 30 CFEDMM CCc1[n-]n(-c2cc(C#N)cc(Cl)n2)c(=O)c1C(C)C ZINC000871954585 641528509 /nfs/dbraw/zinc/52/85/09/641528509.db2.gz MCWGULJDNXNTKU-CYBMUJFWSA-N -1 1 290.754 2.991 20 30 CFEDMM Cc1cccn2c(/C=C3\Oc4cc([O-])ccc4C3=O)cnc12 ZINC000125322879 642597302 /nfs/dbraw/zinc/59/73/02/642597302.db2.gz PPMXWGGJVVJTEF-CHHVJCJISA-N -1 1 292.294 2.965 20 30 CFEDMM CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@H]1CCC[C@@H]1C#N ZINC000879311694 644218167 /nfs/dbraw/zinc/21/81/67/644218167.db2.gz SUKLIBTXTNSRAN-ABAIWWIYSA-N -1 1 298.342 2.623 20 30 CFEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C#N)c1 ZINC000883955025 646065842 /nfs/dbraw/zinc/06/58/42/646065842.db2.gz DTKGYIBKGYBVJW-UHFFFAOYSA-N -1 1 296.330 2.738 20 30 CFEDMM N#CCCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885677793 646735811 /nfs/dbraw/zinc/73/58/11/646735811.db2.gz ADMXDQMTHYQZDZ-UHFFFAOYSA-N -1 1 256.664 2.817 20 30 CFEDMM C#CCC1(NC(=O)c2ccc([O-])c(F)c2)CCCCC1 ZINC000886654661 647090575 /nfs/dbraw/zinc/09/05/75/647090575.db2.gz JTELCECIDMVBJI-UHFFFAOYSA-N -1 1 275.323 2.987 20 30 CFEDMM C=C(C)CN(CC)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927778518 648832355 /nfs/dbraw/zinc/83/23/55/648832355.db2.gz LFVLFJQZBVCKDU-UHFFFAOYSA-N -1 1 298.333 2.821 20 30 CFEDMM Cn1c(Cl)cnc1/C=C\C(=O)c1ccc([O-])cc1 ZINC000035569142 649225028 /nfs/dbraw/zinc/22/50/28/649225028.db2.gz HEHOHKSRKWTFFB-SREVYHEPSA-N -1 1 262.696 2.675 20 30 CFEDMM COc1nc(-c2c(F)ccc([O-])c2F)c(F)cc1C#N ZINC001241289612 782282122 /nfs/dbraw/zinc/28/21/22/782282122.db2.gz BBQKAQWTWVXAKZ-UHFFFAOYSA-N -1 1 280.205 2.752 20 30 CFEDMM COC(=O)c1cc(C#N)ccc1-c1c(F)ccc([O-])c1F ZINC001241291798 782282189 /nfs/dbraw/zinc/28/21/89/782282189.db2.gz XOVWTMRMSWVPTK-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM C=CCC[C@H](CC)OCCCC[P@](=O)([O-])O ZINC001225019026 778815191 /nfs/dbraw/zinc/81/51/91/778815191.db2.gz PCPPNQHXYXZWHR-NSHDSACASA-N -1 1 250.275 2.706 20 30 CFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000088475682 769847293 /nfs/dbraw/zinc/84/72/93/769847293.db2.gz IMOAKQWARGFKRT-ZCFIWIBFSA-N -1 1 279.148 2.647 20 30 CFEDMM N#Cc1cc(F)ccc1Nc1[nH]c(=S)[n-]c(=O)c1N=O ZINC001210551182 770312386 /nfs/dbraw/zinc/31/23/86/770312386.db2.gz PQRPQJFMQWZELR-UHFFFAOYSA-N -1 1 291.267 2.623 20 30 CFEDMM Cc1nc(Nc2cc([O-])ccc2F)c(C#N)cc1C#N ZINC001210797394 770373508 /nfs/dbraw/zinc/37/35/08/770373508.db2.gz APRALBWKVNYMCK-UHFFFAOYSA-N -1 1 268.251 2.722 20 30 CFEDMM CNC(=O)c1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1 ZINC000588535088 770949502 /nfs/dbraw/zinc/94/95/02/770949502.db2.gz IUSHQMDSKIUYLC-RIYZIHGNSA-N -1 1 293.322 2.574 20 30 CFEDMM N#CC[C@H]1CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583242 770963222 /nfs/dbraw/zinc/96/32/22/770963222.db2.gz ATMWVGUJPYUNLR-SNVBAGLBSA-N -1 1 266.291 2.796 20 30 CFEDMM C#C[C@H](CCCCC)OCCCC[P@](=O)([O-])O ZINC001225019174 775338029 /nfs/dbraw/zinc/33/80/29/775338029.db2.gz UGOULYBTAXMFHZ-GFCCVEGCSA-N -1 1 262.286 2.543 20 30 CFEDMM C#C[C@H](Oc1cc([O-])ccc1C(C)=O)c1ccncc1 ZINC001225619821 775526349 /nfs/dbraw/zinc/52/63/49/775526349.db2.gz XIRBJJGZXWGXAY-HNNXBMFYSA-N -1 1 267.284 2.743 20 30 CFEDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1C#N ZINC001225663322 775547062 /nfs/dbraw/zinc/54/70/62/775547062.db2.gz CZAXQSVTCHFOOV-SECBINFHSA-N -1 1 285.259 2.707 20 30 CFEDMM N#CC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225667639 775548846 /nfs/dbraw/zinc/54/88/46/775548846.db2.gz UYGAUYSEAYYHEJ-LBPRGKRZSA-N -1 1 285.259 2.729 20 30 CFEDMM N#C[C@@H]1CC[C@@H](Oc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC001226181161 775728077 /nfs/dbraw/zinc/72/80/77/775728077.db2.gz ANFFEWPLDQCVPG-DGCLKSJQSA-N -1 1 281.315 2.920 20 30 CFEDMM COc1cnc(=S)[n-]c1O[C@H](C)c1ccccc1C#N ZINC001226246839 775754835 /nfs/dbraw/zinc/75/48/35/775754835.db2.gz RVLWEAKFMAOTSK-SECBINFHSA-N -1 1 287.344 2.786 20 30 CFEDMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CC[C@H](C#N)C3)c12 ZINC001226488054 775843664 /nfs/dbraw/zinc/84/36/64/775843664.db2.gz DHBBWFWZTYQBDJ-CMPLNLGQSA-N -1 1 285.299 2.878 20 30 CFEDMM C=CC[C@@H](C)Oc1cc([O-])ccc1C(=O)COC ZINC001227168461 776121706 /nfs/dbraw/zinc/12/17/06/776121706.db2.gz INRXGRLRDXQIGW-SNVBAGLBSA-N -1 1 250.294 2.565 20 30 CFEDMM CCCc1cc(OC2=C(CC)O[C@H](C)C2=O)[n-]c(=S)n1 ZINC001227416836 776196424 /nfs/dbraw/zinc/19/64/24/776196424.db2.gz HQZOCVRKRSPOIO-MRVPVSSYSA-N -1 1 294.376 2.706 20 30 CFEDMM C[C@H](COc1ccccc1)Oc1ccc([O-])c(C#N)c1C#N ZINC001227618355 776246565 /nfs/dbraw/zinc/24/65/65/776246565.db2.gz KIVZOPWLPPNJIQ-GFCCVEGCSA-N -1 1 294.310 2.982 20 30 CFEDMM CC1(C)CC(=O)CC[C@H]1Oc1ccc([O-])c(C#N)c1C#N ZINC001227620299 776246626 /nfs/dbraw/zinc/24/66/26/776246626.db2.gz ZGEYFIWPHRYOGH-OAHLLOKOSA-N -1 1 284.315 2.662 20 30 CFEDMM N#Cc1c([O-])ccc(O[C@H]2CCc3cccnc32)c1C#N ZINC001227619717 776246773 /nfs/dbraw/zinc/24/67/73/776246773.db2.gz UUOCDVGMVJLBMQ-HNNXBMFYSA-N -1 1 277.283 2.597 20 30 CFEDMM COC1=CC[C@H](Oc2ccc([O-])c(C#N)c2C#N)CC1 ZINC001227624405 776247641 /nfs/dbraw/zinc/24/76/41/776247641.db2.gz ZMBFCMAGACTCGE-NSHDSACASA-N -1 1 270.288 2.597 20 30 CFEDMM CCC[C@@H](CC(=O)OCC)Oc1cc([O-])ccc1C#N ZINC001228007216 776359866 /nfs/dbraw/zinc/35/98/66/776359866.db2.gz NXLUKBBPVDDHOL-ZDUSSCGKSA-N -1 1 277.320 2.765 20 30 CFEDMM COC(=O)C[C@@H]1CCC[C@@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228006862 776360719 /nfs/dbraw/zinc/36/07/19/776360719.db2.gz KCAQBNQHTAAZIP-BXUZGUMPSA-N -1 1 289.331 2.765 20 30 CFEDMM N#Cc1ccc([O-])cc1OC[C@@H]1CC[C@]2(CCCCO2)O1 ZINC001228008479 776361119 /nfs/dbraw/zinc/36/11/19/776361119.db2.gz XXWJTYQMESWOFT-HOCLYGCPSA-N -1 1 289.331 2.718 20 30 CFEDMM C#C[C@@H](Oc1cc(=O)[n-]c(SC)n1)c1ccccc1 ZINC001228091213 776393089 /nfs/dbraw/zinc/39/30/89/776393089.db2.gz XCZYYVSCRZAJPQ-LLVKDONJSA-N -1 1 272.329 2.657 20 30 CFEDMM C#C[C@H](Oc1cc([O-])cc(O)c1C(=O)CC)c1ccncc1 ZINC001228553292 776519001 /nfs/dbraw/zinc/51/90/01/776519001.db2.gz AHGFZGJGRQKBNH-HNNXBMFYSA-N -1 1 297.310 2.839 20 30 CFEDMM C#C[C@@H](Oc1cc([O-])cc(O)c1C(=O)CC)C(C)C ZINC001228554460 776520444 /nfs/dbraw/zinc/52/04/44/776520444.db2.gz JLBOEJSQLPZMJI-CYBMUJFWSA-N -1 1 262.305 2.727 20 30 CFEDMM C#C[C@H](CCCCC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228694948 776571112 /nfs/dbraw/zinc/57/11/12/776571112.db2.gz HCSBDSMRNZJHJX-CYBMUJFWSA-N -1 1 270.336 2.828 20 30 CFEDMM CC#C[C@H](CC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229132061 776728656 /nfs/dbraw/zinc/72/86/56/776728656.db2.gz PHHGQRPGRZQGLG-NSHDSACASA-N -1 1 258.273 2.679 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@H](C)C(=O)OC(C)(C)C ZINC001229737364 776884172 /nfs/dbraw/zinc/88/41/72/776884172.db2.gz WALXSYKQDOYLNQ-HPUUJOOBSA-N -1 1 279.336 2.994 20 30 CFEDMM C#C[C@H](C)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229801678 776894734 /nfs/dbraw/zinc/89/47/34/776894734.db2.gz GSBGTEGEBJQHHL-VIFPVBQESA-N -1 1 296.278 2.758 20 30 CFEDMM C=C(C)C[C@@H](Oc1nc(C)[n-]c(=O)c1OC)C(=C)C ZINC001230025923 776943766 /nfs/dbraw/zinc/94/37/66/776943766.db2.gz MNRFNNVOXQTUMM-LLVKDONJSA-N -1 1 264.325 2.789 20 30 CFEDMM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nc(C(=O)OC)c[n-]2)C1 ZINC001230279071 776970065 /nfs/dbraw/zinc/97/00/65/776970065.db2.gz BWTGIMGLEWAOKG-DGCLKSJQSA-N -1 1 276.336 2.876 20 30 CFEDMM C[C@H](CS)Oc1cccnc1-c1ncccc1[O-] ZINC001231204727 777171271 /nfs/dbraw/zinc/17/12/71/777171271.db2.gz SPXGNFWZZDYKPV-SECBINFHSA-N -1 1 262.334 2.546 20 30 CFEDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)C#C[Si](C)(C)C)n1 ZINC001231265117 777181225 /nfs/dbraw/zinc/18/12/25/777181225.db2.gz YOVNCNCTBXHPIC-JTQLQIEISA-N -1 1 294.383 2.652 20 30 CFEDMM CCC[C@@H](Oc1cccc(/C=N/[O-])c1)C(=O)OCC ZINC001226113959 777439186 /nfs/dbraw/zinc/43/91/86/777439186.db2.gz CCDNIVXORYMFNB-QQFZQELXSA-N -1 1 265.309 2.605 20 30 CFEDMM CCCN(CCC#N)Cc1cc(Cl)ncc1[O-] ZINC001233034660 777772602 /nfs/dbraw/zinc/77/26/02/777772602.db2.gz PTYYKTQVIMYLDQ-UHFFFAOYSA-N -1 1 253.733 2.566 20 30 CFEDMM C[C@@H]1CCN(Cc2ccc(C#N)cc2[O-])CC1(F)F ZINC001233383231 777924708 /nfs/dbraw/zinc/92/47/08/777924708.db2.gz AZSPMWHGCPRUMN-SNVBAGLBSA-N -1 1 266.291 2.741 20 30 CFEDMM CC(=O)c1ncc(C(=O)[N-]c2scc(C)c2C#N)s1 ZINC001271967270 778046506 /nfs/dbraw/zinc/04/65/06/778046506.db2.gz RRUJRVBYKQKLAJ-UHFFFAOYSA-N -1 1 291.357 2.840 20 30 CFEDMM C=C[C@@H](CCCCCC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233757930 778065644 /nfs/dbraw/zinc/06/56/44/778065644.db2.gz HWGUDNZMSARJDH-NSHDSACASA-N -1 1 294.351 2.873 20 30 CFEDMM C=C[C@@H](CCCCCCC)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234464756 778232151 /nfs/dbraw/zinc/23/21/51/778232151.db2.gz BIFSDBSHBUXIPF-NSHDSACASA-N -1 1 293.367 2.575 20 30 CFEDMM COC(=O)C[C@@H]1CCC[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234818683 778301324 /nfs/dbraw/zinc/30/13/24/778301324.db2.gz CNEGBYZUSQEDFP-OCCSQVGLSA-N -1 1 291.347 2.995 20 30 CFEDMM [O-]/N=C/c1cccc(-c2ccc(F)c(CO)c2F)c1 ZINC001235886058 778591648 /nfs/dbraw/zinc/59/16/48/778591648.db2.gz BFTBMUBLIOYQTR-REZTVBANSA-N -1 1 263.243 2.932 20 30 CFEDMM Cc1nnc(-c2cc([O-])cc(Cl)c2)c(C#N)c1C ZINC001235900527 778599984 /nfs/dbraw/zinc/59/99/84/778599984.db2.gz OWPPMMZWIRHZNH-UHFFFAOYSA-N -1 1 259.696 2.991 20 30 CFEDMM COc1cc([O-])c(CN2CCC[C@H](C#N)C2)c(Cl)c1 ZINC001236803493 778944983 /nfs/dbraw/zinc/94/49/83/778944983.db2.gz OHSQLNTZLWHBPA-SNVBAGLBSA-N -1 1 280.755 2.790 20 30 CFEDMM N#C[C@@H]1C[C@H](F)CN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237940917 779211704 /nfs/dbraw/zinc/21/17/04/779211704.db2.gz PJGOVJFSYLHQPZ-IUCAKERBSA-N -1 1 272.682 2.621 20 30 CFEDMM CN(CCC#N)Cc1c(F)c([O-])ccc1Br ZINC001238304057 779291801 /nfs/dbraw/zinc/29/18/01/779291801.db2.gz DLVHAYCBEPVGHE-UHFFFAOYSA-N -1 1 287.132 2.639 20 30 CFEDMM COc1cc(-c2cc(/C=N/[O-])ccc2F)cnc1OC ZINC001240621969 780300190 /nfs/dbraw/zinc/30/01/90/780300190.db2.gz KPDKFFAAJBIKBJ-REZTVBANSA-N -1 1 276.267 2.713 20 30 CFEDMM COc1ccc(-c2cc(F)ccc2[O-])nc1CC#N ZINC001240696292 780368281 /nfs/dbraw/zinc/36/82/81/780368281.db2.gz LMKZXQPNYMIFNQ-UHFFFAOYSA-N -1 1 258.252 2.668 20 30 CFEDMM Cc1cc(-c2noc(-c3ncccc3[O-])n2)ccc1C#N ZINC001212480710 780396429 /nfs/dbraw/zinc/39/64/29/780396429.db2.gz DMNXWRNGAWXEFS-UHFFFAOYSA-N -1 1 278.271 2.684 20 30 CFEDMM COC(OC)c1c(C#N)ccnc1-c1ccccc1[O-] ZINC001241008177 780589142 /nfs/dbraw/zinc/58/91/42/780589142.db2.gz MUTRZHCXEKFBSH-UHFFFAOYSA-N -1 1 270.288 2.617 20 30 CFEDMM CN(C)c1ccc(-c2cc(/C=N/[O-])ccc2F)cn1 ZINC001241371259 780825358 /nfs/dbraw/zinc/82/53/58/780825358.db2.gz QDHWMEXCESMTLN-CAOOACKPSA-N -1 1 259.284 2.762 20 30 CFEDMM Cc1nc(-c2ccc([O-])c(C#N)c2)cc(N2CCCC2)n1 ZINC001242562339 781600027 /nfs/dbraw/zinc/60/00/27/781600027.db2.gz SWIKODMDUIRKAP-UHFFFAOYSA-N -1 1 280.331 2.630 20 30 CFEDMM N#Cc1cc(-c2cc(-c3cccnc3)ncn2)ccc1[O-] ZINC001242562542 781600259 /nfs/dbraw/zinc/60/02/59/781600259.db2.gz BTVPNIBYOAINSX-UHFFFAOYSA-N -1 1 274.283 2.783 20 30 CFEDMM CCOC(=O)c1cc(-c2ccc([O-])c(C#N)c2)ncc1C ZINC001242562926 781601376 /nfs/dbraw/zinc/60/13/76/781601376.db2.gz OFRRYWWKTVISMC-UHFFFAOYSA-N -1 1 282.299 2.811 20 30 CFEDMM N#Cc1cc(-c2cc(-c3ccncc3)ncn2)ccc1[O-] ZINC001242562776 781601750 /nfs/dbraw/zinc/60/17/50/781601750.db2.gz HXLQHPCFMCWQNE-UHFFFAOYSA-N -1 1 274.283 2.783 20 30 CFEDMM N#Cc1cc(-c2nccc3scnc32)ccc1[O-] ZINC001242562928 781601867 /nfs/dbraw/zinc/60/18/67/781601867.db2.gz OHJBZFNEADLYGM-UHFFFAOYSA-N -1 1 253.286 2.936 20 30 CFEDMM C[C@H]1CCc2nnc(-c3ccc([O-])c(C#N)c3)cc2C1 ZINC001242563673 781602513 /nfs/dbraw/zinc/60/25/13/781602513.db2.gz VAUVODQXZSVSJE-JTQLQIEISA-N -1 1 265.316 2.846 20 30 CFEDMM COC(=O)c1ccc(F)cc1-c1ccc([O-])c(C#N)c1 ZINC001242564771 781603035 /nfs/dbraw/zinc/60/30/35/781603035.db2.gz SRTHDPIKDVPYQW-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM COC(=O)c1ccc(OC)cc1-c1ccc([O-])c(C#N)c1 ZINC001242565039 781603266 /nfs/dbraw/zinc/60/32/66/781603266.db2.gz IGPKQYLRTUXILZ-UHFFFAOYSA-N -1 1 283.283 2.726 20 30 CFEDMM Cn1cc(-c2ccc([O-])c(C#N)c2)c2ccccc2c1=O ZINC001242564708 781603582 /nfs/dbraw/zinc/60/35/82/781603582.db2.gz OYROENKIFDMLEX-UHFFFAOYSA-N -1 1 276.295 2.783 20 30 CFEDMM N#Cc1cc(-c2cnc3[nH]ccc3c2F)ccc1[O-] ZINC001242565067 781603741 /nfs/dbraw/zinc/60/37/41/781603741.db2.gz JWAVHULEYJAPJO-UHFFFAOYSA-N -1 1 253.236 2.898 20 30 CFEDMM COC(=O)c1cc(F)c(F)cc1-c1ccc([O-])c(C#N)c1 ZINC001242564533 781603905 /nfs/dbraw/zinc/60/39/05/781603905.db2.gz FPQPWIPTUMGJTC-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM COC(=O)c1nc(C(C)C)ncc1-c1ccc([O-])c(C#N)c1 ZINC001242567051 781606477 /nfs/dbraw/zinc/60/64/77/781606477.db2.gz PMHFMVJEUXFAQQ-UHFFFAOYSA-N -1 1 297.314 2.631 20 30 CFEDMM CC1(C)CNC(=O)c2ccc(-c3ccc([O-])c(C#N)c3)cc21 ZINC001242567282 781607468 /nfs/dbraw/zinc/60/74/68/781607468.db2.gz UENIFWSSBOIYFA-UHFFFAOYSA-N -1 1 292.338 2.952 20 30 CFEDMM N#Cc1cc(-c2cnc(OC3CCC3)nc2)ccc1[O-] ZINC001242567298 781607535 /nfs/dbraw/zinc/60/75/35/781607535.db2.gz UQMYEAULFJTVPN-UHFFFAOYSA-N -1 1 267.288 2.652 20 30 CFEDMM CC(=O)c1cc(-c2ccc(/C=N/[O-])c(F)c2)ccn1 ZINC001242612655 781640389 /nfs/dbraw/zinc/64/03/89/781640389.db2.gz ZLYDFADTAXWWRB-CAOOACKPSA-N -1 1 258.252 2.898 20 30 CFEDMM CCc1nc(CNCc2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC000426650528 529740201 /nfs/dbraw/zinc/74/02/01/529740201.db2.gz DHESAMPGWQBBMN-UHFFFAOYSA-N -1 1 295.342 2.504 20 30 CFEDMM C[C@@]1(CN=c2[n-]c(C#N)c(Cl)s2)CCO[C@H]1C1CC1 ZINC000596194402 349824052 /nfs/dbraw/zinc/82/40/52/349824052.db2.gz KORCJJJHYNWFKD-GWCFXTLKSA-N -1 1 297.811 2.707 20 30 CFEDMM N#Cc1[n-]c(=N[C@@H]2CCC[N@H+]3CCCC[C@H]23)sc1Cl ZINC000596296559 349855653 /nfs/dbraw/zinc/85/56/53/349855653.db2.gz LOLYJSHFMCPOKU-MWLCHTKSSA-N -1 1 296.827 2.519 20 30 CFEDMM N#CC(=C([O-])c1cccs1)c1nnc2n1CCCCC2 ZINC000035426703 346321239 /nfs/dbraw/zinc/32/12/39/346321239.db2.gz FINRFWNSQWKTGG-JTQLQIEISA-N -1 1 286.360 2.556 20 30 CFEDMM Cc1cc(C(C#N)=C([O-])c2cccs2)nc(C)n1 ZINC000041574176 346353093 /nfs/dbraw/zinc/35/30/93/346353093.db2.gz IGOMDZBWAHWEFZ-JTQLQIEISA-N -1 1 257.318 2.645 20 30 CFEDMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(C#N)cc1 ZINC000081939153 347439536 /nfs/dbraw/zinc/43/95/36/347439536.db2.gz RXOQXCMSUGVSME-JTQLQIEISA-N -1 1 284.290 2.894 20 30 CFEDMM N#Cc1csc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000084403711 347462510 /nfs/dbraw/zinc/46/25/10/347462510.db2.gz GIAFMEAGKYIKPL-UHFFFAOYSA-N -1 1 262.265 2.717 20 30 CFEDMM N#Cc1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000128469385 347851980 /nfs/dbraw/zinc/85/19/80/347851980.db2.gz SIKDEGHLNKXXJM-UHFFFAOYSA-N -1 1 256.236 2.655 20 30 CFEDMM N#CC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000397565236 348561639 /nfs/dbraw/zinc/56/16/39/348561639.db2.gz ATGLNTZEWVISOF-JTQLQIEISA-N -1 1 278.739 2.811 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000589168104 348814901 /nfs/dbraw/zinc/81/49/01/348814901.db2.gz NDAHJHGVIDEAHH-OAHLLOKOSA-N -1 1 281.315 2.569 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2ccc[nH]2)c1 ZINC000589168102 348814957 /nfs/dbraw/zinc/81/49/57/348814957.db2.gz NDAHJHGVIDEAHH-HNNXBMFYSA-N -1 1 281.315 2.569 20 30 CFEDMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589168687 348815165 /nfs/dbraw/zinc/81/51/65/348815165.db2.gz DNPBUIQMYSGRSG-BXUZGUMPSA-N -1 1 272.348 2.915 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000589178097 348816199 /nfs/dbraw/zinc/81/61/99/348816199.db2.gz YWJXCCXOMXQYLD-HNNXBMFYSA-N -1 1 270.332 2.669 20 30 CFEDMM CC(C)C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589184327 348817154 /nfs/dbraw/zinc/81/71/54/348817154.db2.gz PXGKLRQPGNYRCF-UHFFFAOYSA-N -1 1 272.348 2.772 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000589184670 348817248 /nfs/dbraw/zinc/81/72/48/348817248.db2.gz VVMAGMJKTIFTRC-PBHICJAKSA-N -1 1 292.338 2.625 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2scnc2C2CC2)c1 ZINC000589195964 348818194 /nfs/dbraw/zinc/81/81/94/348818194.db2.gz QRUROORFHWAESW-UHFFFAOYSA-N -1 1 285.328 2.850 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CC3CCC2CC3)c1 ZINC000589190262 348818239 /nfs/dbraw/zinc/81/82/39/348818239.db2.gz KUFXVWBVVNATDU-QHAMSDLMSA-N -1 1 270.332 2.572 20 30 CFEDMM CC[C@@H](C)CN(CC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589188425 348818281 /nfs/dbraw/zinc/81/82/81/348818281.db2.gz VRGHVEWNLRHFIU-LLVKDONJSA-N -1 1 260.337 2.772 20 30 CFEDMM CC[C@H](C)CN(CC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589188426 348818296 /nfs/dbraw/zinc/81/82/96/348818296.db2.gz VRGHVEWNLRHFIU-NSHDSACASA-N -1 1 260.337 2.772 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](C3CC3)C2)c1 ZINC000589526228 348838080 /nfs/dbraw/zinc/83/80/80/348838080.db2.gz LXPBGRPQWPZHOG-ZDUSSCGKSA-N -1 1 270.332 2.526 20 30 CFEDMM CC[C@H]1CCC[C@H]1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000590771219 348946031 /nfs/dbraw/zinc/94/60/31/348946031.db2.gz VPCJYPYWZIABJI-STQMWFEESA-N -1 1 272.348 2.820 20 30 CFEDMM CC(C)(C)C1CC(NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000590503472 348906594 /nfs/dbraw/zinc/90/65/94/348906594.db2.gz LUCUTLBPZBBXPZ-UHFFFAOYSA-N -1 1 272.348 2.818 20 30 CFEDMM CC(C)(CCNC(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000590526293 348907832 /nfs/dbraw/zinc/90/78/32/348907832.db2.gz UTWZHRUCFSTJEN-UHFFFAOYSA-N -1 1 272.348 2.820 20 30 CFEDMM C[C@@]12CN(C(=O)c3cc([O-])cc(C#N)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000590772800 348946895 /nfs/dbraw/zinc/94/68/95/348946895.db2.gz OPDLAMDREHLBAH-XJOINEQPSA-N -1 1 294.354 2.548 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@@H](C3CCC3)C2)cc1[O-] ZINC000591125682 348989629 /nfs/dbraw/zinc/98/96/29/348989629.db2.gz JWQJJQJYJVJQRX-CQSZACIVSA-N -1 1 270.332 2.526 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](C2CC2)C2CCC2)c1 ZINC000590892960 348962979 /nfs/dbraw/zinc/96/29/79/348962979.db2.gz YGTYKIOUBDGBRB-OAHLLOKOSA-N -1 1 270.332 2.572 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(C)c1 ZINC000594462555 349426807 /nfs/dbraw/zinc/42/68/07/349426807.db2.gz QZGFOVLXPMSMTN-JTQLQIEISA-N -1 1 272.757 2.692 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@H](C3CCC3)C2)cc1[O-] ZINC000598400370 350256976 /nfs/dbraw/zinc/25/69/76/350256976.db2.gz NBWKSJHSORRCGM-HNNXBMFYSA-N -1 1 284.359 2.916 20 30 CFEDMM CCN(C(=O)c1ccc2ccccc2c1[O-])[C@H](C)C#N ZINC000598350181 350242699 /nfs/dbraw/zinc/24/26/99/350242699.db2.gz NJBQIFWNWQJKMU-LLVKDONJSA-N -1 1 268.316 2.920 20 30 CFEDMM CCN(C[C@@H](C)C#N)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000600999429 350643622 /nfs/dbraw/zinc/64/36/22/350643622.db2.gz BIEAVZJXRIYFFT-JTQLQIEISA-N -1 1 280.755 2.596 20 30 CFEDMM CCc1c(-c2ccc(F)cc2Cl)[n-]n(CCC#N)c1=O ZINC000601930862 350805128 /nfs/dbraw/zinc/80/51/28/350805128.db2.gz JWDUIXUBUZSGHY-SNVBAGLBSA-N -1 1 293.729 2.965 20 30 CFEDMM CCc1c(C(C)C)[n-]n(Cc2ccc(C#N)cc2)c1=O ZINC000601943807 350812499 /nfs/dbraw/zinc/81/24/99/350812499.db2.gz CTCVKXBJHWIBRO-CQSZACIVSA-N -1 1 269.348 2.939 20 30 CFEDMM CCCc1c(C)[n-]n(Cc2cccc(C#N)c2)c1=O ZINC000601945407 350813728 /nfs/dbraw/zinc/81/37/28/350813728.db2.gz RHLSYWYGRXAFTO-AWEZNQCLSA-N -1 1 255.321 2.693 20 30 CFEDMM N#C[C@H]1CC[C@@H](NC(=O)N=c2[n-]sc3ccccc32)C1 ZINC000603052956 351095839 /nfs/dbraw/zinc/09/58/39/351095839.db2.gz YKZWHGCYGZAJGH-VHSXEESVSA-N -1 1 286.360 2.532 20 30 CFEDMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(C#N)cc1 ZINC000613447685 351961543 /nfs/dbraw/zinc/96/15/43/351961543.db2.gz VJZWBKRRXMLXMS-JTQLQIEISA-N -1 1 284.290 2.894 20 30 CFEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000613510031 351972654 /nfs/dbraw/zinc/97/26/54/351972654.db2.gz APQMLIXFJMAVJO-ZUZCIYMTSA-N -1 1 276.311 2.734 20 30 CFEDMM Cc1ccc(F)c(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614294273 352076528 /nfs/dbraw/zinc/07/65/28/352076528.db2.gz ZWDORKRNTYSWSL-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCCc2ccccc2)c1 ZINC000614293164 352076533 /nfs/dbraw/zinc/07/65/33/352076533.db2.gz AEOMLDWKXBEUCE-UHFFFAOYSA-N -1 1 280.327 2.626 20 30 CFEDMM CC(C)CC[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614294182 352076593 /nfs/dbraw/zinc/07/65/93/352076593.db2.gz WOQOZUNQYVZCEB-NSHDSACASA-N -1 1 260.337 2.818 20 30 CFEDMM C[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614294892 352076631 /nfs/dbraw/zinc/07/66/31/352076631.db2.gz ABERYPAGGHGKOP-GXFFZTMASA-N -1 1 258.321 2.572 20 30 CFEDMM Cc1cccc(CCNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614298224 352077062 /nfs/dbraw/zinc/07/70/62/352077062.db2.gz JFATVTSQIDZPIY-UHFFFAOYSA-N -1 1 280.327 2.545 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000614295474 352077066 /nfs/dbraw/zinc/07/70/66/352077066.db2.gz NJXABKFGGFPDNQ-UHFFFAOYSA-N -1 1 299.355 2.851 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000614300654 352077142 /nfs/dbraw/zinc/07/71/42/352077142.db2.gz PSGWZEVCXIQWCZ-STQMWFEESA-N -1 1 270.332 2.526 20 30 CFEDMM Cc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1O ZINC000614300384 352077150 /nfs/dbraw/zinc/07/71/50/352077150.db2.gz GJLVZUOCJYUXCA-UHFFFAOYSA-N -1 1 268.272 2.530 20 30 CFEDMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614300521 352077158 /nfs/dbraw/zinc/07/71/58/352077158.db2.gz IZXCYRNHYUQZRX-UONOGXRCSA-N -1 1 290.388 2.668 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000614299918 352077215 /nfs/dbraw/zinc/07/72/15/352077215.db2.gz JNTULSMUNCCGIC-WFASDCNBSA-N -1 1 270.332 2.669 20 30 CFEDMM COc1ccc(OC)c(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614357350 352084387 /nfs/dbraw/zinc/08/43/87/352084387.db2.gz JTYGPDZCLKXFAJ-UHFFFAOYSA-N -1 1 298.298 2.533 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCCC2CCCC2)c1 ZINC000614361284 352084814 /nfs/dbraw/zinc/08/48/14/352084814.db2.gz XECMBKQQYRRDCX-UHFFFAOYSA-N -1 1 272.348 2.964 20 30 CFEDMM C[C@H](C1CC1)n1nccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614368286 352085784 /nfs/dbraw/zinc/08/57/84/352085784.db2.gz JJHKGAGDMZQQAQ-SNVBAGLBSA-N -1 1 296.330 2.684 20 30 CFEDMM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000615478505 352198369 /nfs/dbraw/zinc/19/83/69/352198369.db2.gz AOJOIIWDJXUXMS-AEFFLSMTSA-N -1 1 292.338 2.724 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3ccc(F)cc32)c1 ZINC000616707194 352418492 /nfs/dbraw/zinc/41/84/92/352418492.db2.gz IWJCNXQRRYTNDG-UHFFFAOYSA-N -1 1 282.274 2.606 20 30 CFEDMM C=CCN(C(=O)c1cc(Cl)ccc1[O-])[C@H](C)COC ZINC000617576610 352593879 /nfs/dbraw/zinc/59/38/79/352593879.db2.gz XYUXUQBZJLRZDL-SNVBAGLBSA-N -1 1 283.755 2.709 20 30 CFEDMM C=CC[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000617781568 352644889 /nfs/dbraw/zinc/64/48/89/352644889.db2.gz PMSAJRQCRIUCPJ-NSHDSACASA-N -1 1 263.312 2.960 20 30 CFEDMM C=CCC1(NC(=O)C(=O)c2ccc([O-])cc2)CCCC1 ZINC000619111140 352956011 /nfs/dbraw/zinc/95/60/11/352956011.db2.gz WBFLDAQBLFDJDS-UHFFFAOYSA-N -1 1 273.332 2.580 20 30 CFEDMM N#Cc1ccc(C(=O)N(CC2CC2)C2CCC2)cc1[O-] ZINC000619458727 353026290 /nfs/dbraw/zinc/02/62/90/353026290.db2.gz BHZCJEKOCFMWCR-UHFFFAOYSA-N -1 1 270.332 2.669 20 30 CFEDMM C=CCCCCCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000156074209 188241622 /nfs/dbraw/zinc/24/16/22/188241622.db2.gz FDVWHYGOLCHQSG-UHFFFAOYSA-N -1 1 293.323 2.514 20 30 CFEDMM C=CC[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000628493780 354608652 /nfs/dbraw/zinc/60/86/52/354608652.db2.gz XAQULVHOGFKGDD-GFCCVEGCSA-N -1 1 282.343 2.979 20 30 CFEDMM C=C[C@](C)(CCOC)C(=O)Nc1cccc(F)c1[O-] ZINC000628959870 354706926 /nfs/dbraw/zinc/70/69/26/354706926.db2.gz JGMOJWZIJJLLPP-CQSZACIVSA-N -1 1 267.300 2.699 20 30 CFEDMM C=CC(C)(C)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633309516 355862373 /nfs/dbraw/zinc/86/23/73/355862373.db2.gz SJSMTQGBCGLGLX-UHFFFAOYSA-N -1 1 267.756 2.917 20 30 CFEDMM CC(C)(C)n1cc([N-]c2nccc(C#N)c2[N+](=O)[O-])cn1 ZINC000301656603 201119327 /nfs/dbraw/zinc/11/93/27/201119327.db2.gz RZZFNUCMSJWUDY-UHFFFAOYSA-N -1 1 286.295 2.557 20 30 CFEDMM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426784902 239265068 /nfs/dbraw/zinc/26/50/68/239265068.db2.gz NXIDKGYTBOATKP-HNNXBMFYSA-N -1 1 284.290 2.613 20 30 CFEDMM CC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000451677006 383681305 /nfs/dbraw/zinc/68/13/05/383681305.db2.gz BREZVKXJECDECZ-NWDGAFQWSA-N -1 1 296.392 2.646 20 30 CFEDMM C[C@@H](CCC1CC1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442794566 241000222 /nfs/dbraw/zinc/00/02/22/241000222.db2.gz ALOZSSGHVNXLBO-JTQLQIEISA-N -1 1 258.321 2.572 20 30 CFEDMM CC1(C)CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000443133263 241040232 /nfs/dbraw/zinc/04/02/32/241040232.db2.gz RSAZLQOVCXMXTK-GFCCVEGCSA-N -1 1 258.321 2.572 20 30 CFEDMM CS[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)C(C)(C)C ZINC000443120869 241040809 /nfs/dbraw/zinc/04/08/09/241040809.db2.gz PZDTVHXGPQIXRC-ZDUSSCGKSA-N -1 1 292.404 2.771 20 30 CFEDMM CC1(C)CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000452048162 243024847 /nfs/dbraw/zinc/02/48/47/243024847.db2.gz OXFPVDPXMVXHOS-LLVKDONJSA-N -1 1 296.392 2.646 20 30 CFEDMM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000456816584 244292913 /nfs/dbraw/zinc/29/29/13/244292913.db2.gz GQIAKMRPDDZUAL-NWDGAFQWSA-N -1 1 272.348 2.915 20 30 CFEDMM C=CCN(CC=C)C(=O)c1ccc(Cl)cc1[O-] ZINC000019836635 372194223 /nfs/dbraw/zinc/19/42/23/372194223.db2.gz BKNOAEUZAOQWGI-UHFFFAOYSA-N -1 1 251.713 2.860 20 30 CFEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1c1ccco1 ZINC000049398939 373293297 /nfs/dbraw/zinc/29/32/97/373293297.db2.gz IPKXDDJCIUELRU-RITPCOANSA-N -1 1 286.213 2.808 20 30 CFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000070431823 374174124 /nfs/dbraw/zinc/17/41/24/374174124.db2.gz XGVCXDLLBFJUJS-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1ccccc1OCCC ZINC000123061190 376944373 /nfs/dbraw/zinc/94/43/73/376944373.db2.gz IHOUVVKAHZPOHK-UHFFFAOYSA-N -1 1 269.366 2.793 20 30 CFEDMM Cc1cnc(C(=O)N[C@@H]2CCC[C@H]2OC(F)F)c([O-])c1 ZINC000330408551 378548091 /nfs/dbraw/zinc/54/80/91/378548091.db2.gz RWYGNTZEKAXRDE-PSASIEDQSA-N -1 1 286.278 2.561 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)cc1[O-] ZINC000334195752 378910293 /nfs/dbraw/zinc/91/02/93/378910293.db2.gz XYFNUBMWXOOAIR-SECBINFHSA-N -1 1 298.264 2.678 20 30 CFEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000432271467 383734054 /nfs/dbraw/zinc/73/40/54/383734054.db2.gz ZEGFVECEZDLRLV-UHFFFAOYSA-N -1 1 288.438 2.641 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1[O-] ZINC000335728696 379794217 /nfs/dbraw/zinc/79/42/17/379794217.db2.gz SUAGMCAKXJNMJY-ZAQWFSBCSA-N -1 1 296.370 2.915 20 30 CFEDMM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000336561294 380468822 /nfs/dbraw/zinc/46/88/22/380468822.db2.gz PHGFNNXXAMDPOE-ZDUSSCGKSA-N -1 1 272.348 2.772 20 30 CFEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc([O-])cc2F)C1 ZINC000181982105 380956548 /nfs/dbraw/zinc/95/65/48/380956548.db2.gz UARDIFAYYPWUMX-ZUZCIYMTSA-N -1 1 276.311 2.734 20 30 CFEDMM C#CCO[N-]C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000291077885 381657313 /nfs/dbraw/zinc/65/73/13/381657313.db2.gz MWCPJYMUZUVTOY-LLVKDONJSA-N -1 1 265.740 2.590 20 30 CFEDMM C[C@H](Cc1cccs1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188288396 382383821 /nfs/dbraw/zinc/38/38/21/382383821.db2.gz LZZLNULXWRUXSV-SNVBAGLBSA-N -1 1 286.356 2.686 20 30 CFEDMM CC[C@@]1(C)CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188593268 382441595 /nfs/dbraw/zinc/44/15/95/382441595.db2.gz SXPRGPSSXOVDFI-INIZCTEOSA-N -1 1 272.348 2.916 20 30 CFEDMM Cc1csc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000188431105 382412739 /nfs/dbraw/zinc/41/27/39/382412739.db2.gz POPADRWOAWQOEW-VIFPVBQESA-N -1 1 287.344 2.520 20 30 CFEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1c(C)noc1C ZINC000188732338 382465980 /nfs/dbraw/zinc/46/59/80/382465980.db2.gz DWOTYQPOTKKISK-CYBMUJFWSA-N -1 1 299.330 2.750 20 30 CFEDMM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189797465 382641011 /nfs/dbraw/zinc/64/10/11/382641011.db2.gz RLRADKUOWAKQEE-MFKMUULPSA-N -1 1 258.321 2.572 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1[O-] ZINC000442619081 382939081 /nfs/dbraw/zinc/93/90/81/382939081.db2.gz KAOSYISLEGLFEQ-OAHLLOKOSA-N -1 1 293.326 2.636 20 30 CFEDMM CCC(CC)N(CC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000494841117 382934399 /nfs/dbraw/zinc/93/43/99/382934399.db2.gz YTOMMGZSZLUSIF-UHFFFAOYSA-N -1 1 260.337 2.915 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC(C3CCCC3)C2)cc1[O-] ZINC000527018019 383446048 /nfs/dbraw/zinc/44/60/48/383446048.db2.gz AOBRULXIGDOTKH-UHFFFAOYSA-N -1 1 270.332 2.526 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1cc(-c2ccccc2C)[nH]n1 ZINC000431191203 383638291 /nfs/dbraw/zinc/63/82/91/383638291.db2.gz IYNPYNPVBGAOAP-UHFFFAOYSA-N -1 1 291.376 2.703 20 30 CFEDMM N#C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000436759269 383889388 /nfs/dbraw/zinc/88/93/88/383889388.db2.gz VWNCNGOSPYIXDF-CYBMUJFWSA-N -1 1 288.253 2.665 20 30 CFEDMM C#CCCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278252520 384509247 /nfs/dbraw/zinc/50/92/47/384509247.db2.gz TYGOSNSAFBFNPO-UHFFFAOYSA-N -1 1 260.268 2.927 20 30 CFEDMM CC(C)(C)[C@H](C#N)NC(=O)c1cc(Cl)ccc1[O-] ZINC000268063161 384521555 /nfs/dbraw/zinc/52/15/55/384521555.db2.gz YKKWZQPHRCBRFG-NSHDSACASA-N -1 1 266.728 2.714 20 30 CFEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)C1CCCC1 ZINC000188321193 393563900 /nfs/dbraw/zinc/56/39/00/393563900.db2.gz KUWFQYSQWYNIKA-UHFFFAOYSA-N -1 1 258.321 2.669 20 30 CFEDMM Cc1ccn(C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000190668875 393582801 /nfs/dbraw/zinc/58/28/01/393582801.db2.gz REYOPCIRCLLJNL-LLVKDONJSA-N -1 1 279.299 2.965 20 30 CFEDMM CC(C)(C)CN(CCC#N)C(=O)c1cc(F)ccc1[O-] ZINC000094122572 393808000 /nfs/dbraw/zinc/80/80/00/393808000.db2.gz SSWOWKNJRAULHD-UHFFFAOYSA-N -1 1 278.327 2.933 20 30 CFEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000342998945 393877269 /nfs/dbraw/zinc/87/72/69/393877269.db2.gz YFFDRKNWPOFIRM-JTQLQIEISA-N -1 1 289.347 2.988 20 30 CFEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000342998946 393877400 /nfs/dbraw/zinc/87/74/00/393877400.db2.gz YFFDRKNWPOFIRM-SNVBAGLBSA-N -1 1 289.347 2.988 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000416936482 393945904 /nfs/dbraw/zinc/94/59/04/393945904.db2.gz BTGSAWOTUGIBKK-LBPRGKRZSA-N -1 1 277.349 2.520 20 30 CFEDMM C=CCCC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000351289135 393988317 /nfs/dbraw/zinc/98/83/17/393988317.db2.gz NMHKWSKMYVQAAM-UHFFFAOYSA-N -1 1 274.292 2.747 20 30 CFEDMM C=C[C@@H](CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000647815560 395438513 /nfs/dbraw/zinc/43/85/13/395438513.db2.gz BOOIQTHDAUTSAI-NSHDSACASA-N -1 1 271.320 2.722 20 30 CFEDMM O=C([O-])c1ccc(/C=C/C(=O)c2ccccc2O)cc1 ZINC000005549049 170112130 /nfs/dbraw/zinc/11/21/30/170112130.db2.gz JOALTNNELYVHQD-JXMROGBWSA-N -1 1 268.268 2.987 20 30 CFEDMM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000654307873 413800499 /nfs/dbraw/zinc/80/04/99/413800499.db2.gz MFQFUUKXZHOKRT-AMIZOPFISA-N -1 1 283.274 2.590 20 30 CFEDMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000043322193 175005981 /nfs/dbraw/zinc/00/59/81/175005981.db2.gz DBVSRQKHJUKEJT-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM COC(=O)c1ccc(-c2ccc([O-])c(F)c2)cc1C#N ZINC001240785935 782032957 /nfs/dbraw/zinc/03/29/57/782032957.db2.gz VKXCUPFJDHAVPS-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2c([O-])cccc2F)C1 ZINC000186580712 262100557 /nfs/dbraw/zinc/10/05/57/262100557.db2.gz HDMCLQJTGOOKEI-ZUZCIYMTSA-N -1 1 276.311 2.734 20 30 CFEDMM COC(=O)c1c[n-]c(SCCCC(C)(C)C#N)n1 ZINC000188058225 262148001 /nfs/dbraw/zinc/14/80/01/262148001.db2.gz BERDTTBRJYKILR-UHFFFAOYSA-N -1 1 267.354 2.618 20 30 CFEDMM N#CCSCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188149083 262149532 /nfs/dbraw/zinc/14/95/32/262149532.db2.gz GZMAZCGRSNJOAH-UHFFFAOYSA-N -1 1 281.406 2.799 20 30 CFEDMM CCCc1cc(=O)[n-]c(S[C@H](C)CCC#N)n1 ZINC000194967805 262244290 /nfs/dbraw/zinc/24/42/90/262244290.db2.gz PTAIHYMTGPBNBG-SECBINFHSA-N -1 1 251.355 2.919 20 30 CFEDMM CC1(C#N)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000280523274 263062489 /nfs/dbraw/zinc/06/24/89/263062489.db2.gz RIKFIBVHAGFKAP-UHFFFAOYSA-N -1 1 266.300 2.531 20 30 CFEDMM CC[C@@](C)(C#N)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000285770011 263095726 /nfs/dbraw/zinc/09/57/26/263095726.db2.gz NAWKZFMNYFGIOY-LBPRGKRZSA-N -1 1 252.701 2.924 20 30 CFEDMM CC(C)(CO)C(C)(C)NC(=O)c1c([O-])cccc1F ZINC000331252735 264181871 /nfs/dbraw/zinc/18/18/71/264181871.db2.gz ZEPYXMHDZJCHCN-UHFFFAOYSA-N -1 1 269.316 2.633 20 30 CFEDMM N#Cc1ccc2[nH]c(-c3cc([O-])cc(F)c3)nc2c1 ZINC000184582310 268218278 /nfs/dbraw/zinc/21/82/78/268218278.db2.gz ZDRHAXALTYGHJV-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM CCC(NC(=O)c1ccc(C#N)c([O-])c1)(C1CC1)C1CC1 ZINC000529799166 281418564 /nfs/dbraw/zinc/41/85/64/281418564.db2.gz CKTNJHRBRGQMBV-UHFFFAOYSA-N -1 1 284.359 2.962 20 30 CFEDMM CCCC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561507422 282056191 /nfs/dbraw/zinc/05/61/91/282056191.db2.gz MMJRIVLHFGDBSR-WCQYABFASA-N -1 1 296.392 2.788 20 30 CFEDMM CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561504307 282056365 /nfs/dbraw/zinc/05/63/65/282056365.db2.gz KWKABIRMTSXUIH-OLZOCXBDSA-N -1 1 296.392 2.644 20 30 CFEDMM N#CCCC1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000335385236 335092380 /nfs/dbraw/zinc/09/23/80/335092380.db2.gz UNLRJWWRUIGHEJ-UHFFFAOYSA-N -1 1 276.311 2.687 20 30 CFEDMM Cc1cc(C(C#N)=C([O-])c2ccc(C3CC3)cn2)nc(C)n1 ZINC000531782912 328033720 /nfs/dbraw/zinc/03/37/20/328033720.db2.gz JUEBAOLWUKLENQ-AWEZNQCLSA-N -1 1 292.342 2.856 20 30 CFEDMM Cc1cc(C#N)cnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000572143566 322608893 /nfs/dbraw/zinc/60/88/93/322608893.db2.gz ZYMLLIIYHYICTQ-UHFFFAOYSA-N -1 1 287.706 2.873 20 30 CFEDMM C[C@H](C1CC1)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000188292449 324013302 /nfs/dbraw/zinc/01/33/02/324013302.db2.gz RMBDATDGIWFOMV-SNVBAGLBSA-N -1 1 270.332 2.667 20 30 CFEDMM CC(=Cc1cc(F)cc(F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193613786 324075109 /nfs/dbraw/zinc/07/51/09/324075109.db2.gz DSFSXANZZLXMER-BAQGIRSFSA-N -1 1 287.269 2.789 20 30 CFEDMM N#Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccn1 ZINC000350599228 324241489 /nfs/dbraw/zinc/24/14/89/324241489.db2.gz CIRFDIXQJQHPQY-UHFFFAOYSA-N -1 1 282.234 2.515 20 30 CFEDMM C=C1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000335322675 327424540 /nfs/dbraw/zinc/42/45/40/327424540.db2.gz FQMICFWXTSKIEJ-UHFFFAOYSA-N -1 1 296.164 2.947 20 30 CFEDMM C=CCOc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000194263310 329081128 /nfs/dbraw/zinc/08/11/28/329081128.db2.gz OWQKTCTXHCDHLX-UHFFFAOYSA-N -1 1 285.299 2.915 20 30 CFEDMM C=CC(C)(C)CCN=c1nc(C(F)(F)F)[n-]s1 ZINC000528076515 330305532 /nfs/dbraw/zinc/30/55/32/330305532.db2.gz YNSCITASZJVABH-UHFFFAOYSA-N -1 1 265.304 2.993 20 30 CFEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000437522177 330702048 /nfs/dbraw/zinc/70/20/48/330702048.db2.gz WRCBFZHUGBUHNV-IINYFYTJSA-N -1 1 295.766 2.757 20 30 CFEDMM Cc1c(Cl)cccc1C([O-])=C(C#N)c1ccncn1 ZINC000490944225 332131644 /nfs/dbraw/zinc/13/16/44/332131644.db2.gz UKKMZHJTVIMVGA-NSHDSACASA-N -1 1 271.707 2.929 20 30 CFEDMM C#C[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(C)(C)C ZINC000491784638 332347750 /nfs/dbraw/zinc/34/77/50/332347750.db2.gz RHTJLLOHOVYNOG-LBPRGKRZSA-N -1 1 295.766 2.832 20 30 CFEDMM C=CCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000523499963 333330315 /nfs/dbraw/zinc/33/03/15/333330315.db2.gz SVTPGXUONPAWLX-UHFFFAOYSA-N -1 1 250.245 2.869 20 30 CFEDMM C#C[C@@H](CCC)NC(=O)c1ccc(Br)c([O-])c1 ZINC000233294843 333350859 /nfs/dbraw/zinc/35/08/59/333350859.db2.gz BUQKJMUYOVBCSN-JTQLQIEISA-N -1 1 296.164 2.686 20 30 CFEDMM CC#CCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000132812604 334006053 /nfs/dbraw/zinc/00/60/53/334006053.db2.gz PCHNEXLTJGUUGN-UHFFFAOYSA-N -1 1 270.357 2.861 20 30 CFEDMM CCC[C@@H](C#N)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000547290882 334076393 /nfs/dbraw/zinc/07/63/93/334076393.db2.gz QDRWNDBMFNRDIU-JTQLQIEISA-N -1 1 296.754 2.866 20 30 CFEDMM C[C@@H](CC#N)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000136924594 334165714 /nfs/dbraw/zinc/16/57/14/334165714.db2.gz XMTOBWFTLXFCSK-QMMMGPOBSA-N -1 1 297.152 2.529 20 30 CFEDMM CCC[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188730974 500674481 /nfs/dbraw/zinc/67/44/81/500674481.db2.gz RZGTUCZILCOESW-LBPRGKRZSA-N -1 1 272.348 2.916 20 30 CFEDMM CCN(CC(C)(C)C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000361219932 520395095 /nfs/dbraw/zinc/39/50/95/520395095.db2.gz HYAXFIHJDJGHQY-UHFFFAOYSA-N -1 1 260.337 2.772 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1[O-] ZINC000336405203 526599248 /nfs/dbraw/zinc/59/92/48/526599248.db2.gz LMZLITOKHYVYLF-OAHLLOKOSA-N -1 1 278.311 2.681 20 30 CFEDMM CC[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188502533 529231271 /nfs/dbraw/zinc/23/12/71/529231271.db2.gz QYLPYQYMMDGQAR-FZMZJTMJSA-N -1 1 272.348 2.962 20 30 CFEDMM CC(=NNC(=S)NCC1CCC1)c1ccc(F)cc1[O-] ZINC000727778666 574065244 /nfs/dbraw/zinc/06/52/44/574065244.db2.gz DVCKFAZEZFQFAE-UHFFFAOYSA-N -1 1 295.383 2.520 20 30 CFEDMM CC(=NOCc1cccnc1)c1ccc([O-])c(F)c1 ZINC000746585498 574156343 /nfs/dbraw/zinc/15/63/43/574156343.db2.gz GJUDLVMAOKXHRG-UHFFFAOYSA-N -1 1 260.268 2.867 20 30 CFEDMM [O-]c1c(F)cccc1C=NNCc1ccc(F)cc1F ZINC000755684090 574178121 /nfs/dbraw/zinc/17/81/21/574178121.db2.gz ZRABKWHDNSTFNA-UHFFFAOYSA-N -1 1 280.249 2.933 20 30 CFEDMM C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000739054993 574195740 /nfs/dbraw/zinc/19/57/40/574195740.db2.gz VHZZBHKBWFBEMB-JHJVBQTASA-N -1 1 287.363 2.692 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cnn3ccccc13)O2 ZINC000729643676 574225729 /nfs/dbraw/zinc/22/57/29/574225729.db2.gz GFJOCXRRTYDVLK-CHHVJCJISA-N -1 1 292.294 2.965 20 30 CFEDMM Cn1c(=O)oc2cc(/C=C/C(=O)c3ccc([O-])cc3)ccc21 ZINC000756625763 574253331 /nfs/dbraw/zinc/25/33/31/574253331.db2.gz KMZXGZHRPRXROB-YCRREMRBSA-N -1 1 295.294 2.733 20 30 CFEDMM C[C@@H]1CCC[C@@](C#N)([N-]C(=O)C(F)(F)c2nccs2)C1 ZINC000756745730 574260685 /nfs/dbraw/zinc/26/06/85/574260685.db2.gz RJXKPSDVGYLQCF-BXKDBHETSA-N -1 1 299.346 2.824 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(O)cc1 ZINC000756899329 574271321 /nfs/dbraw/zinc/27/13/21/574271321.db2.gz WQTNKUWRTOVMEM-UHFFFAOYSA-N -1 1 286.287 2.545 20 30 CFEDMM C#CCOc1ccccc1CNCc1c(O)cccc1OC ZINC000734159554 574277637 /nfs/dbraw/zinc/27/76/37/574277637.db2.gz QGIHQYWNZALUBU-UHFFFAOYSA-N -1 1 297.354 2.703 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(C)c1C ZINC000734295711 574280366 /nfs/dbraw/zinc/28/03/66/574280366.db2.gz IUGPHBRRAGYNFL-UHFFFAOYSA-N -1 1 270.336 2.944 20 30 CFEDMM C=CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccncc1 ZINC000749391028 574292586 /nfs/dbraw/zinc/29/25/86/574292586.db2.gz HYCXEABOVZVXBT-SECBINFHSA-N -1 1 276.233 2.715 20 30 CFEDMM C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000736094399 574350589 /nfs/dbraw/zinc/35/05/89/574350589.db2.gz DWWKEGXWDSRAQW-LLVKDONJSA-N -1 1 267.756 2.962 20 30 CFEDMM C=C(Cl)CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000736094399 574350593 /nfs/dbraw/zinc/35/05/93/574350593.db2.gz DWWKEGXWDSRAQW-LLVKDONJSA-N -1 1 267.756 2.962 20 30 CFEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1cc(F)ccc1F ZINC000743418997 574363757 /nfs/dbraw/zinc/36/37/57/574363757.db2.gz NNUIJXJNGGCISK-UHFFFAOYSA-N -1 1 292.289 2.995 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCCc3cc(C#N)ccc32)n1 ZINC000743418851 574363762 /nfs/dbraw/zinc/36/37/62/574363762.db2.gz LVPATGBMKUYMEZ-UHFFFAOYSA-N -1 1 293.330 2.515 20 30 CFEDMM CO[C@H](C(=O)N([O-])Cc1ccc(F)cc1)C1CCCC1 ZINC000900094016 620637193 /nfs/dbraw/zinc/63/71/93/620637193.db2.gz GAGDPZOADOXRRM-AWEZNQCLSA-N -1 1 281.327 2.749 20 30 CFEDMM C[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc(C#N)cc1 ZINC000109408405 600750227 /nfs/dbraw/zinc/75/02/27/600750227.db2.gz GGFMVXKFNMBUQO-SNVBAGLBSA-N -1 1 270.288 2.700 20 30 CFEDMM O=C([O-])c1ccc(CN=Nc2cccc(Cl)c2F)[nH]1 ZINC000833312630 601337580 /nfs/dbraw/zinc/33/75/80/601337580.db2.gz RYZXRXYSPVRNDA-UHFFFAOYSA-N -1 1 281.674 2.951 20 30 CFEDMM CN(Cc1ccsc1C(=O)[O-])Cc1cccc(C#N)c1 ZINC000110956803 601806471 /nfs/dbraw/zinc/80/64/71/601806471.db2.gz BHIRECHERQRNIO-UHFFFAOYSA-N -1 1 286.356 2.950 20 30 CFEDMM C[C@@H](C(=O)[O-])n1cccc1C=NNc1cccc(F)c1F ZINC000833407016 605040941 /nfs/dbraw/zinc/04/09/41/605040941.db2.gz QDIMZEZDKWBOLW-VIFPVBQESA-N -1 1 293.273 2.858 20 30 CFEDMM N#Cc1ccc(Cl)cc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000826385421 607902342 /nfs/dbraw/zinc/90/23/42/607902342.db2.gz LRMJYXLPDVOZIV-UHFFFAOYSA-N -1 1 298.693 2.579 20 30 CFEDMM N#Cc1ccc(Cl)cc1Oc1cccc(-c2nn[n-]n2)n1 ZINC000826385421 607902343 /nfs/dbraw/zinc/90/23/43/607902343.db2.gz LRMJYXLPDVOZIV-UHFFFAOYSA-N -1 1 298.693 2.579 20 30 CFEDMM C=CC[C@@H]1CCN1C(=O)c1c([O-])cccc1Cl ZINC000890556579 617649207 /nfs/dbraw/zinc/64/92/07/617649207.db2.gz LYZXXRFJAQVRIS-SECBINFHSA-N -1 1 251.713 2.836 20 30 CFEDMM C=CC[C@@H]1CCN1C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000890558824 617651026 /nfs/dbraw/zinc/65/10/26/617651026.db2.gz HPZDSYBJUWUTBR-LLVKDONJSA-N -1 1 289.379 2.579 20 30 CFEDMM CCc1nn(C)cc1/C=C\C(=O)c1ccc([O-])cc1 ZINC000254970357 617705297 /nfs/dbraw/zinc/70/52/97/617705297.db2.gz JEOUPUUUKZLBET-TWGQIWQCSA-N -1 1 256.305 2.584 20 30 CFEDMM C#C[C@@H]1CCCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000890648113 617734763 /nfs/dbraw/zinc/73/47/63/617734763.db2.gz SCDRQXUCNLADQM-LLVKDONJSA-N -1 1 293.750 2.682 20 30 CFEDMM CC(=O)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255117321 617966384 /nfs/dbraw/zinc/96/63/84/617966384.db2.gz OWCQYOOHRQVODN-UHFFFAOYSA-N -1 1 271.272 2.757 20 30 CFEDMM C[C@H]1CC(NN=Cc2ccc([O-])c(Cl)c2)C[C@H](C)O1 ZINC000901311068 620782636 /nfs/dbraw/zinc/78/26/36/620782636.db2.gz QUMCXOSNFVUZOH-UWVGGRQHSA-N -1 1 282.771 2.925 20 30 CFEDMM CC(C)CO[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375097 620798682 /nfs/dbraw/zinc/79/86/82/620798682.db2.gz CZJXJRIGHVOZNA-NSHDSACASA-N -1 1 269.316 2.605 20 30 CFEDMM CO[C@@H](C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379279 620799556 /nfs/dbraw/zinc/79/95/56/620799556.db2.gz YTTTYHHIMLOLGP-ZETCQYMHSA-N -1 1 278.135 2.746 20 30 CFEDMM C#C[C@@H](C)N(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794578921 618437096 /nfs/dbraw/zinc/43/70/96/618437096.db2.gz MRIGWMJYJBWITG-SECBINFHSA-N -1 1 291.734 2.606 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NN[C@H](C)c2ccccc2)c1 ZINC000726737368 619259405 /nfs/dbraw/zinc/25/94/05/619259405.db2.gz PRURTOOYBFQYSX-GFCCVEGCSA-N -1 1 298.342 2.864 20 30 CFEDMM N#C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000928224212 619325282 /nfs/dbraw/zinc/32/52/82/619325282.db2.gz VBRVFXVRTGTHAX-SECBINFHSA-N -1 1 298.264 2.787 20 30 CFEDMM Cn1cc(/C=C/C(=O)c2ccc([O-])cc2)c(C2CC2)n1 ZINC000899334423 620544919 /nfs/dbraw/zinc/54/49/19/620544919.db2.gz ZMISQWUHBMQRJR-RMKNXTFCSA-N -1 1 268.316 2.899 20 30 CFEDMM C=CC(C)(C)CCCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000832718275 625492399 /nfs/dbraw/zinc/49/23/99/625492399.db2.gz DQQPMNFVTSWECD-UHFFFAOYSA-N -1 1 275.348 2.684 20 30 CFEDMM C[C@@H]1C[C@H](C)[C@H](C(=O)N([O-])Cc2ccccc2Cl)O1 ZINC000904193190 621546782 /nfs/dbraw/zinc/54/67/82/621546782.db2.gz LKXRCHKLVYLLAK-OPQQBVKSSA-N -1 1 283.755 2.871 20 30 CFEDMM CO[C@](C)(C(=O)N([O-])Cc1ccccc1Cl)C1CC1 ZINC000904192781 621546790 /nfs/dbraw/zinc/54/67/90/621546790.db2.gz CASBMHWTLZJMGD-AWEZNQCLSA-N -1 1 283.755 2.873 20 30 CFEDMM N#Cc1cc(-c2cnc(C3CCOCC3)o2)ccc1[O-] ZINC000904794788 621648635 /nfs/dbraw/zinc/64/86/35/621648635.db2.gz FAMFTQLCNGYPOV-UHFFFAOYSA-N -1 1 270.288 2.813 20 30 CFEDMM N#CC1(C(=O)Nc2cc([O-])c(F)cc2F)CC2(CC2)C1 ZINC000909971575 622377979 /nfs/dbraw/zinc/37/79/79/622377979.db2.gz GHPIAUVMBYOBAT-UHFFFAOYSA-N -1 1 278.258 2.693 20 30 CFEDMM C=C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910988184 622496002 /nfs/dbraw/zinc/49/60/02/622496002.db2.gz YLRGCKYXGKMOSX-SKDRFNHKSA-N -1 1 283.274 2.590 20 30 CFEDMM C=C[C@](C)(CCOC)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910993814 622496693 /nfs/dbraw/zinc/49/66/93/622496693.db2.gz ROHQRFUGXFBTLC-CQSZACIVSA-N -1 1 285.290 2.838 20 30 CFEDMM C=CCC1(NC(=O)c2cnc(C3CC3)[n-]c2=O)CCCC1 ZINC000912522026 622738429 /nfs/dbraw/zinc/73/84/29/622738429.db2.gz LTZFFLXVUYIPNX-UHFFFAOYSA-N -1 1 287.363 2.678 20 30 CFEDMM COc1cc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)on1 ZINC000821022784 622823549 /nfs/dbraw/zinc/82/35/49/622823549.db2.gz UTDDLUZCLGEBAK-HYXAFXHYSA-N -1 1 279.679 2.938 20 30 CFEDMM Cc1ncccc1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000156645640 622952475 /nfs/dbraw/zinc/95/24/75/622952475.db2.gz NKXWFNGMMQASBJ-GQCTYLIASA-N -1 1 255.273 2.697 20 30 CFEDMM O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(O)ccc1[O-] ZINC000156664814 622953653 /nfs/dbraw/zinc/95/36/53/622953653.db2.gz UCRLZBWARMLTRT-DAFODLJHSA-N -1 1 298.294 2.765 20 30 CFEDMM CCn1cc(/C=C/C(=O)c2cc(C)ccc2[O-])cn1 ZINC000156697771 622957075 /nfs/dbraw/zinc/95/70/75/622957075.db2.gz UQIKOPANJWNWJA-FNORWQNLSA-N -1 1 256.305 2.813 20 30 CFEDMM COC(=O)c1cc(/C=C/C(=O)c2cc(C)ccc2[O-])c[nH]1 ZINC000156699689 622957241 /nfs/dbraw/zinc/95/72/41/622957241.db2.gz VBWLYMMQJQMAAF-GQCTYLIASA-N -1 1 285.299 2.711 20 30 CFEDMM N#Cc1ccc(C(=O)NCCC[C@@H]2C=CCC2)cc1[O-] ZINC000834326515 625609407 /nfs/dbraw/zinc/60/94/07/625609407.db2.gz GCISIRIRODGWDI-GFCCVEGCSA-N -1 1 270.332 2.740 20 30 CFEDMM C#C[C@@H](CC)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000822407586 623098404 /nfs/dbraw/zinc/09/84/04/623098404.db2.gz QBZXYSBTBNLHSH-NSHDSACASA-N -1 1 273.229 2.585 20 30 CFEDMM CCCCCCCCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742834 623573924 /nfs/dbraw/zinc/57/39/24/623573924.db2.gz XADKNHBYXRZZAD-UHFFFAOYSA-N -1 1 293.415 2.656 20 30 CFEDMM CC(=NN[C@H](C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000835002904 623927041 /nfs/dbraw/zinc/92/70/41/623927041.db2.gz VFLREABBCMGSIF-SSDOTTSWSA-N -1 1 264.222 2.796 20 30 CFEDMM CCC(=NOC[C@@H]1CCOC1)c1ccc([O-])c(F)c1 ZINC000788034038 623972035 /nfs/dbraw/zinc/97/20/35/623972035.db2.gz NKPGTVQYXJYHEV-SNVBAGLBSA-N -1 1 267.300 2.699 20 30 CFEDMM C=CCO[N-]C(=O)[C@@H](C)c1cccc(Br)c1 ZINC000837049116 624083148 /nfs/dbraw/zinc/08/31/48/624083148.db2.gz AGFPDOOHWDQXLU-VIFPVBQESA-N -1 1 284.153 2.786 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000916241443 624229307 /nfs/dbraw/zinc/22/93/07/624229307.db2.gz BWLHRLYLKIAPTK-UHFFFAOYSA-N -1 1 276.727 2.980 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(C)c(C)cc2C)n1 ZINC000916241514 624230101 /nfs/dbraw/zinc/23/01/01/624230101.db2.gz HLMDCZDIJRKTLW-UHFFFAOYSA-N -1 1 270.336 2.862 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000916241809 624230803 /nfs/dbraw/zinc/23/08/03/624230803.db2.gz WKFOCOYZWPXKEY-UHFFFAOYSA-N -1 1 278.262 2.605 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1csc([N+](=O)[O-])c1 ZINC000917143165 624318832 /nfs/dbraw/zinc/31/88/32/624318832.db2.gz IFIWDLSSDKPCCX-JYOAFUTRSA-N -1 1 289.268 2.978 20 30 CFEDMM Cc1cnc(SCC2CCC(C#N)CC2)[n-]c1=O ZINC000917777974 624384205 /nfs/dbraw/zinc/38/42/05/624384205.db2.gz NGGIXDOVKITHNV-UHFFFAOYSA-N -1 1 263.366 2.913 20 30 CFEDMM [O-]c1ccc(CN=Nc2cncc(Cl)n2)cc1Cl ZINC000921257867 624829712 /nfs/dbraw/zinc/82/97/12/624829712.db2.gz XNSCJPRQPYKRFU-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM CC#CCNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000834668997 625772628 /nfs/dbraw/zinc/77/26/28/625772628.db2.gz PXKLXLBZDJFSMN-UHFFFAOYSA-N -1 1 284.281 2.609 20 30 CFEDMM N#CC[C@@H](NCc1cccc([O-])c1Cl)C(F)(F)F ZINC000922647575 626331575 /nfs/dbraw/zinc/33/15/75/626331575.db2.gz OVAOKJTYCOBYQA-SECBINFHSA-N -1 1 278.661 2.980 20 30 CFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2CCCCCCC2)o1 ZINC000804960701 626540531 /nfs/dbraw/zinc/54/05/31/626540531.db2.gz VNTKXMAJKNLHFG-UHFFFAOYSA-N -1 1 296.392 2.790 20 30 CFEDMM Cc1nc(C#N)c(N=NC(C)c2cc(F)cc(F)c2[O-])o1 ZINC000757460270 626552634 /nfs/dbraw/zinc/55/26/34/626552634.db2.gz BCFRTFAMXOHYLQ-UHFFFAOYSA-N -1 1 292.245 2.675 20 30 CFEDMM O=c1[n-]c(N=NC2CCSCC2)nc2ccccc21 ZINC000757582888 626555884 /nfs/dbraw/zinc/55/58/84/626555884.db2.gz GLTHSPMZEXGPBM-UHFFFAOYSA-N -1 1 274.349 2.630 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCc3ccc(Cl)cc32)n1 ZINC000762439910 626916199 /nfs/dbraw/zinc/91/61/99/626916199.db2.gz ARDBLTZQOMQPFN-UHFFFAOYSA-N -1 1 288.738 2.906 20 30 CFEDMM CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765744230 627155629 /nfs/dbraw/zinc/15/56/29/627155629.db2.gz KKYGMOFJQANLNF-SECBINFHSA-N -1 1 270.254 2.726 20 30 CFEDMM N#C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C1CC1 ZINC000768178318 627323609 /nfs/dbraw/zinc/32/36/09/627323609.db2.gz COTCPHGLZDNXQA-LLVKDONJSA-N -1 1 284.693 2.850 20 30 CFEDMM COc1nccnc1N=NC(C)c1ccc([O-])c(Cl)c1 ZINC000768781385 627372042 /nfs/dbraw/zinc/37/20/42/627372042.db2.gz CVNMGNNVAGCQSW-UHFFFAOYSA-N -1 1 292.726 2.680 20 30 CFEDMM CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000770333461 627514167 /nfs/dbraw/zinc/51/41/67/627514167.db2.gz YTFSZFJYQDWNKC-NSHDSACASA-N -1 1 270.254 2.726 20 30 CFEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1N(C)C ZINC000776623133 628165750 /nfs/dbraw/zinc/16/57/50/628165750.db2.gz OWMDKMPXGWPALG-UHFFFAOYSA-N -1 1 295.342 2.891 20 30 CFEDMM C[C@H](C#N)CN(Cc1cc(=O)oc2cc([O-])ccc12)C1CC1 ZINC000777711987 628247799 /nfs/dbraw/zinc/24/77/99/628247799.db2.gz GGSPBIVGJGRLNG-LLVKDONJSA-N -1 1 298.342 2.623 20 30 CFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ocnc2C)cc1 ZINC000779456002 628383686 /nfs/dbraw/zinc/38/36/86/628383686.db2.gz BBJFPNIVIMNHLV-ZDUSSCGKSA-N -1 1 297.314 2.507 20 30 CFEDMM Cc1n[nH]c(C)c1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000780189291 628438194 /nfs/dbraw/zinc/43/81/94/628438194.db2.gz YYCXBYSDFJIBCK-YRNVUSSQSA-N -1 1 254.289 2.555 20 30 CFEDMM Cc1cc([C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)no1 ZINC000785403991 628880148 /nfs/dbraw/zinc/88/01/48/628880148.db2.gz OGJHIFIBCYTSCU-CQSZACIVSA-N -1 1 297.314 2.538 20 30 CFEDMM O=C([O-])c1ccc2c(C=NNC3CCCCC3)n[nH]c2c1 ZINC000786043788 628933112 /nfs/dbraw/zinc/93/31/12/628933112.db2.gz XXNUWEFYTKDKLC-UHFFFAOYSA-N -1 1 286.335 2.517 20 30 CFEDMM Cc1cc([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)no1 ZINC000787637681 629022887 /nfs/dbraw/zinc/02/28/87/629022887.db2.gz QIMVAGSSMNDMJJ-OAHLLOKOSA-N -1 1 297.314 2.538 20 30 CFEDMM CC(=NN[C@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000788457347 629069959 /nfs/dbraw/zinc/06/99/59/629069959.db2.gz JROJLNSXPGRXEB-OAHLLOKOSA-N -1 1 288.322 2.579 20 30 CFEDMM Cc1ccc2nc(C=NNc3ccccc3C(=O)[O-])cn2c1 ZINC000788981112 629113499 /nfs/dbraw/zinc/11/34/99/629113499.db2.gz POOXIYCHFOVLDY-UHFFFAOYSA-N -1 1 294.314 2.787 20 30 CFEDMM CC[C@@H](C)NN=Cc1cc(O)c([O-])c(Br)c1 ZINC000790191437 629218210 /nfs/dbraw/zinc/21/82/10/629218210.db2.gz YZOVKGVVIAWFAA-SSDOTTSWSA-N -1 1 287.157 2.582 20 30 CFEDMM CCc1cc(O)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000791154780 629290065 /nfs/dbraw/zinc/29/00/65/629290065.db2.gz SYQXPTWYXQXKFJ-UHFFFAOYSA-N -1 1 282.299 2.784 20 30 CFEDMM N#Cc1cccc(NN=Cc2c(F)ccc([O-])c2F)c1 ZINC000794490347 629650278 /nfs/dbraw/zinc/65/02/78/629650278.db2.gz PPSVIQDPACWGKN-UHFFFAOYSA-N -1 1 273.242 2.988 20 30 CFEDMM COc1ccc(C=NNc2nc(C)cc(=O)[n-]2)c(Cl)c1 ZINC000794729652 629680575 /nfs/dbraw/zinc/68/05/75/629680575.db2.gz IAJMYJMAWLPHBB-UHFFFAOYSA-N -1 1 292.726 2.599 20 30 CFEDMM C=C(CC)COC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000835662115 629923566 /nfs/dbraw/zinc/92/35/66/629923566.db2.gz PKSLMONJTYARSE-UHFFFAOYSA-N -1 1 296.392 2.655 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C/c2cn(C)cn2)c([O-])c1 ZINC000800795227 630405292 /nfs/dbraw/zinc/40/52/92/630405292.db2.gz CFSJPEMPKSWKFD-SNAWJCMRSA-N -1 1 256.305 2.639 20 30 CFEDMM N#CC(=C([O-])C=Cc1ccc[nH]1)c1cnc2ccccc2n1 ZINC000802227525 630514509 /nfs/dbraw/zinc/51/45/09/630514509.db2.gz IDWAKESIAGSSNY-SBDDDAINSA-N -1 1 288.310 2.848 20 30 CFEDMM C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC000804455729 630683810 /nfs/dbraw/zinc/68/38/10/630683810.db2.gz KYYCBJGTGFUOLI-HNNXBMFYSA-N -1 1 297.329 2.896 20 30 CFEDMM Cc1noc(C)c1/C=C/C(=O)c1ccc(C(=O)[O-])cc1O ZINC000806558689 630810910 /nfs/dbraw/zinc/81/09/10/630810910.db2.gz JEQNJFIKNMIURN-AATRIKPKSA-N -1 1 287.271 2.591 20 30 CFEDMM N#CCCCCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000807369062 630881958 /nfs/dbraw/zinc/88/19/58/630881958.db2.gz WRIIGZPMQGJHJH-UHFFFAOYSA-N -1 1 267.716 2.853 20 30 CFEDMM CC(=NNc1ccc(C(=O)[O-])cc1)c1cn2c(n1)CCCC2 ZINC000807940392 630924423 /nfs/dbraw/zinc/92/44/23/630924423.db2.gz VKOYLYBGKFIJNR-UHFFFAOYSA-N -1 1 298.346 2.754 20 30 CFEDMM CC(=NN[C@H]1CCSC1)c1ccc([O-])c(Cl)c1 ZINC000808001348 630937734 /nfs/dbraw/zinc/93/77/34/630937734.db2.gz AGPUWLHXEUXQOL-JTQLQIEISA-N -1 1 270.785 2.865 20 30 CFEDMM CCCC1N=NC(=S)N1N=Cc1ccc([O-])c(Cl)c1 ZINC000808009839 630941916 /nfs/dbraw/zinc/94/19/16/630941916.db2.gz XHYWFFGVKOBRGY-UHFFFAOYSA-N -1 1 296.783 2.761 20 30 CFEDMM C=CC(C)(C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000837863669 631144124 /nfs/dbraw/zinc/14/41/24/631144124.db2.gz FJUKGXMJDSGYPF-UHFFFAOYSA-N -1 1 276.332 2.893 20 30 CFEDMM Cc1cccc2c1CCN(C(=O)c1cc([O-])cc(C#N)c1)C2 ZINC000809666577 631258846 /nfs/dbraw/zinc/25/88/46/631258846.db2.gz DLSZSXMMRGDWIM-UHFFFAOYSA-N -1 1 292.338 2.771 20 30 CFEDMM CC(NNc1ccccc1C(=O)[O-])=C1CC1(F)F ZINC000841613718 631431076 /nfs/dbraw/zinc/43/10/76/631431076.db2.gz GRZPESYUGXLBHL-SECBINFHSA-N -1 1 254.236 2.828 20 30 CFEDMM N#CC1(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000841898227 631490027 /nfs/dbraw/zinc/49/00/27/631490027.db2.gz KVCXNPIJLDUNLT-UHFFFAOYSA-N -1 1 295.726 2.737 20 30 CFEDMM C=C(C)CNN=Cc1cc(C)cc(Br)c1[O-] ZINC000811651625 631593600 /nfs/dbraw/zinc/59/36/00/631593600.db2.gz HNIRVLDSHWRKKV-UHFFFAOYSA-N -1 1 283.169 2.963 20 30 CFEDMM N#Cc1csc(/C=C\C(=O)c2ccc([O-])cc2)n1 ZINC000811685441 631605765 /nfs/dbraw/zinc/60/57/65/631605765.db2.gz SDFFBJCGFFFGOP-WAYWQWQTSA-N -1 1 256.286 2.616 20 30 CFEDMM Cn1cc(/C=C2/Cc3cc([O-])ccc3C2=O)c(C(F)F)n1 ZINC000812242486 631678283 /nfs/dbraw/zinc/67/82/83/631678283.db2.gz RMXQKNOJJQGLTI-UITAMQMPSA-N -1 1 290.269 2.886 20 30 CFEDMM O=C([O-])COc1ccc(CN=Nc2ccccc2F)cc1 ZINC000812461042 631721922 /nfs/dbraw/zinc/72/19/22/631721922.db2.gz ZSVHNBPYZHPXHO-UHFFFAOYSA-N -1 1 288.278 2.735 20 30 CFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccccc2)c1 ZINC000004766802 631724614 /nfs/dbraw/zinc/72/46/14/631724614.db2.gz GIUGEYJJYYXIFU-SOFGYWHQSA-N -1 1 268.268 2.987 20 30 CFEDMM C#CCO[N-]C(=O)Cc1csc2ccc(Cl)cc12 ZINC000812784316 631774020 /nfs/dbraw/zinc/77/40/20/631774020.db2.gz IASPINKHNJNZQZ-UHFFFAOYSA-N -1 1 279.748 2.778 20 30 CFEDMM C#CCO[N-]C(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000812782912 631774066 /nfs/dbraw/zinc/77/40/66/631774066.db2.gz OUACDQZLRWRMFJ-UHFFFAOYSA-N -1 1 289.350 3.000 20 30 CFEDMM CC1(C)C[C@@]1(C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000813303208 631897443 /nfs/dbraw/zinc/89/74/43/631897443.db2.gz KOAWLMDNPLVQTJ-ZDUSSCGKSA-N -1 1 282.265 2.726 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CC[C@@H]3CNc4cccc2c43)n1 ZINC000814681943 632107790 /nfs/dbraw/zinc/10/77/90/632107790.db2.gz BUEMUICXPQKNBA-SNVBAGLBSA-N -1 1 295.346 2.610 20 30 CFEDMM O=C([O-])c1cccc(C=NNc2cnc3ccccc3n2)c1 ZINC000814830525 632133601 /nfs/dbraw/zinc/13/36/01/632133601.db2.gz MWOUCMCWGBXJOV-UHFFFAOYSA-N -1 1 292.298 2.774 20 30 CFEDMM N#Cc1c(=O)[n-]cc2c1CCCC2=NOCCC1CC1 ZINC000844596804 632258832 /nfs/dbraw/zinc/25/88/32/632258832.db2.gz BYRUDRYKRCUHRJ-UHFFFAOYSA-N -1 1 271.320 2.516 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000816083874 632368702 /nfs/dbraw/zinc/36/87/02/632368702.db2.gz HZNARPDTGNHOHQ-SECBINFHSA-N -1 1 289.228 2.726 20 30 CFEDMM C=C(C)CONC(=O)c1ccc(OCCCC)cc1[O-] ZINC000846535189 632724518 /nfs/dbraw/zinc/72/45/18/632724518.db2.gz SHTPBMHCTXBTFD-UHFFFAOYSA-N -1 1 279.336 2.809 20 30 CFEDMM C=CCC1(C(=O)[N-]OCc2ccc(F)cc2)CCOCC1 ZINC000819493832 633181322 /nfs/dbraw/zinc/18/13/22/633181322.db2.gz KYOUZFGDVOVKME-UHFFFAOYSA-N -1 1 293.338 2.746 20 30 CFEDMM CC(NNc1ccc(CC(=O)[O-])cc1)=C1CC1(F)F ZINC000848415124 633253129 /nfs/dbraw/zinc/25/31/29/633253129.db2.gz WTTOBOKQIQLUPY-LLVKDONJSA-N -1 1 268.263 2.757 20 30 CFEDMM Cn1ncc(C2CC2)c1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000849243333 633588756 /nfs/dbraw/zinc/58/87/56/633588756.db2.gz IPWPQRSFUWLYJL-VIZOYTHASA-N -1 1 282.299 2.619 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cn(C2CCC2)nn1 ZINC000849249120 633590614 /nfs/dbraw/zinc/59/06/14/633590614.db2.gz FJOXEUUNRVMORQ-YRNVUSSQSA-N -1 1 281.315 2.531 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C)c2C)c(=O)o1 ZINC000108658554 633639743 /nfs/dbraw/zinc/63/97/43/633639743.db2.gz ROXFMSZTEUDTEV-WAVCKPEOSA-N -1 1 284.311 2.532 20 30 CFEDMM C=C(C)[C@H]1CC=C(C)C(=NNc2nc(C)cc(=O)[n-]2)C1 ZINC000007809795 634313777 /nfs/dbraw/zinc/31/37/77/634313777.db2.gz DPMHETNTEIZJQI-LBPRGKRZSA-N -1 1 272.352 2.779 20 30 CFEDMM CCCn1nccc1/C=C1\Oc2cc([O-])cc(C)c2C1=O ZINC000853003676 634872514 /nfs/dbraw/zinc/87/25/14/634872514.db2.gz BSTOECRTCSHZTH-ZSOIEALJSA-N -1 1 284.315 2.923 20 30 CFEDMM C[C@@H]1CCCCN1N=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000853383827 634989927 /nfs/dbraw/zinc/98/99/27/634989927.db2.gz FTLMSPSYBKUYOF-LLVKDONJSA-N -1 1 284.363 2.574 20 30 CFEDMM C=CCCO[N-]C(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000856033388 635709324 /nfs/dbraw/zinc/70/93/24/635709324.db2.gz FBTUQRJGAHZHTE-GFCCVEGCSA-N -1 1 272.348 2.906 20 30 CFEDMM CC(=CCC1=C(C)CCCC1(C)C)N=NC1=NCC(=O)[N-]1 ZINC000863174019 637578845 /nfs/dbraw/zinc/57/88/45/637578845.db2.gz CSAVUIBYVKQICU-PSKDPTBFSA-N -1 1 288.395 2.521 20 30 CFEDMM Cn1nc2c(c1/C=C\C(=O)c1ccc([O-])cc1)CCCC2 ZINC000865213378 638223670 /nfs/dbraw/zinc/22/36/70/638223670.db2.gz XZFRGMKZFFRECM-KHPPLWFESA-N -1 1 282.343 2.901 20 30 CFEDMM O=C(/C=C\c1ccnn1CC1CCC1)c1cc(O)ccc1[O-] ZINC000865220034 638226863 /nfs/dbraw/zinc/22/68/63/638226863.db2.gz BQRVQYPXTQUBDS-XQRVVYSFSA-N -1 1 298.342 2.991 20 30 CFEDMM CCc1nnc(CN[C@H](C)c2cccc(C#N)c2[O-])s1 ZINC000866361575 638804006 /nfs/dbraw/zinc/80/40/06/638804006.db2.gz PXLXUCBHDRJHAG-SECBINFHSA-N -1 1 288.376 2.529 20 30 CFEDMM N#CCC1(COC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000869734625 639375775 /nfs/dbraw/zinc/37/57/75/639375775.db2.gz IVJAEGFFYKUSHZ-UHFFFAOYSA-N -1 1 279.723 2.825 20 30 CFEDMM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000125910510 642848189 /nfs/dbraw/zinc/84/81/89/642848189.db2.gz BLBUUNXRRUTVCJ-LLVKDONJSA-N -1 1 276.299 2.756 20 30 CFEDMM CCN(Cc1ccc(F)c(F)c1[O-])C[C@H](C)C#N ZINC000876617440 642946678 /nfs/dbraw/zinc/94/66/78/642946678.db2.gz OIHXKQKEYXFIST-SECBINFHSA-N -1 1 254.280 2.652 20 30 CFEDMM CCc1nn(C)cc1/C=C/C(=O)c1cc(C)ccc1[O-] ZINC000092208809 650916000 /nfs/dbraw/zinc/91/60/00/650916000.db2.gz DVEZIYMKJNRKJC-SOFGYWHQSA-N -1 1 270.332 2.893 20 30 CFEDMM CC1(C)C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CCS1 ZINC000888801064 644557819 /nfs/dbraw/zinc/55/78/19/644557819.db2.gz VDYKTVDJZGWJSN-GFCCVEGCSA-N -1 1 290.388 2.668 20 30 CFEDMM CN1CCc2cc(/C=C/C(=O)c3cc(O)ccc3[O-])ccc21 ZINC000130979593 645603197 /nfs/dbraw/zinc/60/31/97/645603197.db2.gz PJWGNDLAQDKNQE-ZZXKWVIFSA-N -1 1 295.338 2.986 20 30 CFEDMM CC[C@@H](NCc1nnc(C)s1)c1cccc(C#N)c1[O-] ZINC000926113784 648407412 /nfs/dbraw/zinc/40/74/12/648407412.db2.gz ASBASUIKCKDRFV-GFCCVEGCSA-N -1 1 288.376 2.665 20 30 CFEDMM CC[C@H](Nc1cnn(CCF)c1)c1cccc(C#N)c1[O-] ZINC000926754233 648603519 /nfs/dbraw/zinc/60/35/19/648603519.db2.gz NEUHIIUEWRFBRB-AWEZNQCLSA-N -1 1 288.326 2.993 20 30 CFEDMM Cc1cc(C(F)(F)C(=O)[N-]C(C)(C)C#N)cnc1Cl ZINC000932347313 649581666 /nfs/dbraw/zinc/58/16/66/649581666.db2.gz CBHSLBFBJKIOQA-UHFFFAOYSA-N -1 1 287.697 2.554 20 30 CFEDMM COC(=O)c1cc(C#N)cc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243504602 782240578 /nfs/dbraw/zinc/24/05/78/782240578.db2.gz MQJQJAKHOCNPKC-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM N#Cc1cc2nc(-c3cc([O-])cc(F)c3)ccc2[nH]1 ZINC001241263107 782279033 /nfs/dbraw/zinc/27/90/33/782279033.db2.gz YDHWBQGAGZETFC-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM C#C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000692300573 770480434 /nfs/dbraw/zinc/48/04/34/770480434.db2.gz LAYCRHIWKGNDOA-JTQLQIEISA-N -1 1 263.724 2.531 20 30 CFEDMM COc1ncc(-c2ccc3c(c2)CC/C3=N/[O-])s1 ZINC001241414707 780859308 /nfs/dbraw/zinc/85/93/08/780859308.db2.gz FLQQYOURRNOHOZ-PTNGSMBKSA-N -1 1 260.318 2.943 20 30 CFEDMM Nc1ccccc1C(=NO)Nc1cc(F)c([O-])cc1F ZINC001215573886 770507846 /nfs/dbraw/zinc/50/78/46/770507846.db2.gz JUTAVLRKXISRMD-UHFFFAOYSA-N -1 1 279.246 2.501 20 30 CFEDMM N#Cc1cccc(C(=O)Nc2cccc(F)c2[O-])c1 ZINC000707901802 770843778 /nfs/dbraw/zinc/84/37/78/770843778.db2.gz VOVNXBWEDJSTDX-UHFFFAOYSA-N -1 1 256.236 2.655 20 30 CFEDMM O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)c1ccc([O-])cc1 ZINC000588577063 775105477 /nfs/dbraw/zinc/10/54/77/775105477.db2.gz BEOOBOBCLXBFLP-XFSBKJJWSA-N -1 1 295.294 2.619 20 30 CFEDMM CC(=O)c1cc(Cl)cc(CN2CC[C@](C)(C#N)C2)c1[O-] ZINC000693991630 775332304 /nfs/dbraw/zinc/33/23/04/775332304.db2.gz LWWRCYMYOUKKDR-OAHLLOKOSA-N -1 1 292.766 2.984 20 30 CFEDMM C#C[C@@H](CCCCC)OCCCC[P@](=O)([O-])O ZINC001225023080 775339601 /nfs/dbraw/zinc/33/96/01/775339601.db2.gz UGOULYBTAXMFHZ-LBPRGKRZSA-N -1 1 262.286 2.543 20 30 CFEDMM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2cc(=O)[n-]c(=S)[nH]2)O1 ZINC001225766478 775586540 /nfs/dbraw/zinc/58/65/40/775586540.db2.gz UDEQJQZHFPFCOY-YMTOWFKASA-N -1 1 296.392 2.752 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2c(Cl)cnn2C)c1 ZINC000588535031 775654000 /nfs/dbraw/zinc/65/40/00/775654000.db2.gz KBEBAINEPXVXMB-XQRVVYSFSA-N -1 1 292.722 2.684 20 30 CFEDMM [O-]/N=C/c1cccc(OC[C@H]2Cc3ccccc3O2)c1 ZINC001226110310 775702193 /nfs/dbraw/zinc/70/21/93/775702193.db2.gz QAVWIBIVZZGYMP-ZXMBATIKSA-N -1 1 269.300 2.877 20 30 CFEDMM N#CC1CC(Oc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC001226185276 775729532 /nfs/dbraw/zinc/72/95/32/775729532.db2.gz PWHYFPKFGQDRKD-UHFFFAOYSA-N -1 1 267.288 2.530 20 30 CFEDMM C=CCC[C@H](CC)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226240183 775749837 /nfs/dbraw/zinc/74/98/37/775749837.db2.gz JJBRVVKDIVOXGU-JTQLQIEISA-N -1 1 250.298 2.508 20 30 CFEDMM [O-]/N=C/c1ccnc(O[C@@H]2CCc3c2cc(F)cc3F)n1 ZINC001226256549 775757228 /nfs/dbraw/zinc/75/72/28/775757228.db2.gz SUPKREBYWYTGNA-BPGOPIFBSA-N -1 1 291.257 2.629 20 30 CFEDMM C=CCOc1ccccc1[C@H](C)Oc1nccc(/C=N/[O-])n1 ZINC001226255988 775758045 /nfs/dbraw/zinc/75/80/45/775758045.db2.gz NKTMVWCFRRHYBB-HWQJWEFDSA-N -1 1 299.330 2.990 20 30 CFEDMM C#CC[C@@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487633 775843111 /nfs/dbraw/zinc/84/31/11/775843111.db2.gz ZXUTWJMRLUIRGM-SNVBAGLBSA-N -1 1 258.273 2.598 20 30 CFEDMM CC#C[C@H](CC)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487605 775843266 /nfs/dbraw/zinc/84/32/66/775843266.db2.gz ZEUFIXPLBMKWDZ-LBPRGKRZSA-N -1 1 272.300 2.988 20 30 CFEDMM C#C[C@@H](CC)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226486461 775843939 /nfs/dbraw/zinc/84/39/39/775843939.db2.gz QAPNYCKMVBCEKC-NSHDSACASA-N -1 1 258.273 2.598 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H](CC)C(=O)OC ZINC001227121289 776106381 /nfs/dbraw/zinc/10/63/81/776106381.db2.gz AZCJLUXETQQYPG-CQSZACIVSA-N -1 1 292.331 2.654 20 30 CFEDMM N#C[C@H](Oc1[n-]c(=S)ncc1F)c1ccccc1F ZINC001227387438 776190524 /nfs/dbraw/zinc/19/05/24/776190524.db2.gz XLYZTCDONQDQLD-JTQLQIEISA-N -1 1 279.271 2.687 20 30 CFEDMM C#C[C@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1ccccc1 ZINC001227709607 776265243 /nfs/dbraw/zinc/26/52/43/776265243.db2.gz DSRAXUIHUDOPBK-MFKMUULPSA-N -1 1 282.299 2.527 20 30 CFEDMM C[C@H]1OCc2c1nc(=O)[n-]c2O[C@H](CC#N)c1ccccc1 ZINC001227713582 776267087 /nfs/dbraw/zinc/26/70/87/776267087.db2.gz PBTHOPFMFIYOBF-ZWNOBZJWSA-N -1 1 297.314 2.807 20 30 CFEDMM N#Cc1ccc([O-])cc1O[C@H]1COCc2ccccc21 ZINC001228006450 776359109 /nfs/dbraw/zinc/35/91/09/776359109.db2.gz BWXICFJHQHHBTD-INIZCTEOSA-N -1 1 267.284 2.914 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC=C(c3ccccc3)C2)cc1[O-] ZINC000336171068 776397147 /nfs/dbraw/zinc/39/71/47/776397147.db2.gz BFOIXHMXDCLMPL-UHFFFAOYSA-N -1 1 290.322 2.803 20 30 CFEDMM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141341 776407257 /nfs/dbraw/zinc/40/72/57/776407257.db2.gz PMSSSGYCKWGVRJ-DCAQKATOSA-N -1 1 293.323 2.850 20 30 CFEDMM C#C[C@@H]1CCC[C@H]1Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228553758 776518571 /nfs/dbraw/zinc/51/85/71/776518571.db2.gz DIKXHKZPPLEINT-QMTHXVAHSA-N -1 1 274.316 2.871 20 30 CFEDMM C#C[C@@H](CCC)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228554490 776519764 /nfs/dbraw/zinc/51/97/64/776519764.db2.gz JUTZASXORRZBPM-NSHDSACASA-N -1 1 262.305 2.871 20 30 CFEDMM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2cnnc(=S)[n-]2)C1 ZINC001228643140 776550362 /nfs/dbraw/zinc/55/03/62/776550362.db2.gz XIMQKJVVEHWKMF-QWRGUYRKSA-N -1 1 263.366 2.840 20 30 CFEDMM N#CCN1CC[C@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229405974 776802484 /nfs/dbraw/zinc/80/24/84/776802484.db2.gz GNYBYZVEUODEGZ-QMMMGPOBSA-N -1 1 287.146 2.676 20 30 CFEDMM C#C[C@H](C)Oc1cc([O-])ccc1C(=O)Cc1ccc(O)cc1 ZINC001229432233 776809825 /nfs/dbraw/zinc/80/98/25/776809825.db2.gz KAVIAQNLLLLSCC-LBPRGKRZSA-N -1 1 296.322 2.924 20 30 CFEDMM COC(=O)[C@@H]1CCC[C@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229737421 776883699 /nfs/dbraw/zinc/88/36/99/776883699.db2.gz YJBTVVYHISXAGZ-GWMMYCTHSA-N -1 1 291.347 2.995 20 30 CFEDMM C=C(C)C[C@H](Oc1nc(C)[n-]c(=O)c1OC)C(=C)C ZINC001230025934 776943360 /nfs/dbraw/zinc/94/33/60/776943360.db2.gz MNRFNNVOXQTUMM-NSHDSACASA-N -1 1 264.325 2.789 20 30 CFEDMM CCC[C@@H](C#Cc1ccccc1)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282187 776972878 /nfs/dbraw/zinc/97/28/78/776972878.db2.gz QDZWFDHUQFDCRY-AWEZNQCLSA-N -1 1 298.342 2.796 20 30 CFEDMM C=C(C)C[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)C(=C)C ZINC001225762703 777262130 /nfs/dbraw/zinc/26/21/30/777262130.db2.gz PRXYODLANANVHJ-SECBINFHSA-N -1 1 252.339 2.761 20 30 CFEDMM C[C@H](Oc1nccc(/C=N/[O-])n1)c1cccc(F)c1 ZINC001226253856 777489162 /nfs/dbraw/zinc/48/91/62/777489162.db2.gz NCAPSBTZVZFKAW-VKPPLCHCSA-N -1 1 261.256 2.564 20 30 CFEDMM N#C[C@@H]1CCCCN1Cc1ccc(F)c([O-])c1F ZINC001232935572 777727360 /nfs/dbraw/zinc/72/73/60/777727360.db2.gz UEFHYLPPEIFLMQ-JTQLQIEISA-N -1 1 252.264 2.548 20 30 CFEDMM C[C@@H](Cc1ccco1)Oc1ccc([O-])c(C#N)c1C#N ZINC001227623591 777860302 /nfs/dbraw/zinc/86/03/02/777860302.db2.gz SYBBPXVEARKENW-JTQLQIEISA-N -1 1 268.272 2.739 20 30 CFEDMM N#C[C@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418436 777942453 /nfs/dbraw/zinc/94/24/53/777942453.db2.gz HADDBEJUWMWCJE-SECBINFHSA-N -1 1 270.254 2.756 20 30 CFEDMM N#C[C@@H]1C[C@H](F)CN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419250 777945431 /nfs/dbraw/zinc/94/54/31/777945431.db2.gz PREVJWFYBVSABM-UWVGGRQHSA-N -1 1 288.244 2.847 20 30 CFEDMM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cc([O-])ccc1C#N ZINC001228005315 777993233 /nfs/dbraw/zinc/99/32/33/777993233.db2.gz LJXKFSVXGDUNFJ-ZDUSSCGKSA-N -1 1 289.331 2.929 20 30 CFEDMM CCCCCCC[C@H](C)Oc1c(C(N)=O)nc(C)[n-]c1=O ZINC001234470906 778232864 /nfs/dbraw/zinc/23/28/64/778232864.db2.gz ZHCLHLHRBBYUCV-JTQLQIEISA-N -1 1 295.383 2.717 20 30 CFEDMM C=C[C@H](CCCCC)Oc1c(C(=O)OC)nc(C)[n-]c1=O ZINC001234558837 778252772 /nfs/dbraw/zinc/25/27/72/778252772.db2.gz YURLXRBMKCNUMO-LLVKDONJSA-N -1 1 294.351 2.791 20 30 CFEDMM CC(C)CCOC(=O)[C@H](C)Oc1ccccc1C=N[O-] ZINC001234820816 778302154 /nfs/dbraw/zinc/30/21/54/778302154.db2.gz YUALJLVYQTWOQH-LBPRGKRZSA-N -1 1 279.336 2.851 20 30 CFEDMM [O-]N=Cc1ccccc1OC1CCC2(CC1)OCCO2 ZINC001234823123 778302851 /nfs/dbraw/zinc/30/28/51/778302851.db2.gz RBZHEOJEDBPNHD-UHFFFAOYSA-N -1 1 277.320 2.559 20 30 CFEDMM C#C[C@H]1CCC[C@@H]1O/C(=N\[O-])c1cc(F)ccc1F ZINC001223890097 778360208 /nfs/dbraw/zinc/36/02/08/778360208.db2.gz NSTVKMYTLQYZJD-WSTPVFGFSA-N -1 1 265.259 2.919 20 30 CFEDMM N#Cc1nc(-c2ccc(C=CC(=O)[O-])cc2)cc2[nH]cnc21 ZINC001235077974 778372267 /nfs/dbraw/zinc/37/22/67/778372267.db2.gz OHGNOJMWZOCPDB-ZZXKWVIFSA-N -1 1 290.282 2.594 20 30 CFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(Cl)o1 ZINC000127971461 778463081 /nfs/dbraw/zinc/46/30/81/778463081.db2.gz QPACZKNDEVFHBZ-JTQLQIEISA-N -1 1 288.690 2.894 20 30 CFEDMM [O-]/N=C/c1ccc(-c2cnn(Cc3ccccn3)c2)cc1F ZINC001236432018 778826514 /nfs/dbraw/zinc/82/65/14/778826514.db2.gz BCVGQGJNANRSGO-AWQFTUOYSA-N -1 1 296.305 2.941 20 30 CFEDMM CC1(C#N)CN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238305948 779291666 /nfs/dbraw/zinc/29/16/66/779291666.db2.gz SXMIVDUYSLSCLS-UHFFFAOYSA-N -1 1 299.143 2.639 20 30 CFEDMM [O-]/N=C/c1ccc(-c2cnn(C(F)F)c2)cc1F ZINC001238868674 779409262 /nfs/dbraw/zinc/40/92/62/779409262.db2.gz DXAXAMLSOCGJKQ-FZSIALSZSA-N -1 1 255.199 2.892 20 30 CFEDMM CS(=O)(=O)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001239702286 779718103 /nfs/dbraw/zinc/71/81/03/779718103.db2.gz GYOYOJVJACMBHZ-CXUHLZMHSA-N -1 1 293.319 2.704 20 30 CFEDMM CS(=O)(=O)c1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001239835223 779809501 /nfs/dbraw/zinc/80/95/01/779809501.db2.gz LVGDIWFIFOOULO-XNTDXEJSSA-N -1 1 275.329 2.565 20 30 CFEDMM CS(=O)(=O)c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001239835766 779810025 /nfs/dbraw/zinc/81/00/25/779810025.db2.gz FIDZKBNIDBLPEX-CXUHLZMHSA-N -1 1 293.319 2.704 20 30 CFEDMM [O-]/N=C/c1ccc(-c2cnn(CC3CC3)c2)cc1F ZINC001240516255 780224236 /nfs/dbraw/zinc/22/42/36/780224236.db2.gz LOEQJYKZZUMHRN-REZTVBANSA-N -1 1 259.284 2.907 20 30 CFEDMM N#Cc1cnc2ccc(-c3ccc([O-])c(F)c3)cn12 ZINC001240786542 780441805 /nfs/dbraw/zinc/44/18/05/780441805.db2.gz MHGRGKTXTRRLPD-UHFFFAOYSA-N -1 1 253.236 2.718 20 30 CFEDMM COc1ncc(-c2c(F)cc([O-])cc2F)cc1C#N ZINC001241122020 780651118 /nfs/dbraw/zinc/65/11/18/780651118.db2.gz IQPVDLVJAVTDEB-UHFFFAOYSA-N -1 1 262.215 2.613 20 30 CFEDMM COc1ccc(-c2ccccc2C=N[O-])c(OC)n1 ZINC001241579869 780994295 /nfs/dbraw/zinc/99/42/95/780994295.db2.gz WBGHLYCTJZUTEY-UHFFFAOYSA-N -1 1 258.277 2.574 20 30 CFEDMM CSc1ncc(-c2cc(/C=N/[O-])ccc2F)cn1 ZINC001241629705 781031570 /nfs/dbraw/zinc/03/15/70/781031570.db2.gz ABOCGJJRKCJSIC-FZSIALSZSA-N -1 1 263.297 2.813 20 30 CFEDMM N#Cc1cc(N)c(Nc2cccc([O-])c2F)cc1C#N ZINC001212552153 781049707 /nfs/dbraw/zinc/04/97/07/781049707.db2.gz CSWIWBQKEIAYGC-UHFFFAOYSA-N -1 1 268.251 2.600 20 30 CFEDMM Cc1c(F)cc(C(=O)[O-])cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001242204348 781324725 /nfs/dbraw/zinc/32/47/25/781324725.db2.gz BFGZSEUCMGEKCL-UHFFFAOYSA-N -1 1 296.261 2.642 20 30 CFEDMM Cc1cnc2ncc(-c3ccc([O-])c(C#N)c3)cc2n1 ZINC001242563644 781602576 /nfs/dbraw/zinc/60/25/76/781602576.db2.gz HOSJQTCCSLRRJH-UHFFFAOYSA-N -1 1 262.272 2.578 20 30 CFEDMM COC(=O)c1cc(-c2ccc([O-])c(C#N)c2)nc2[nH]ccc21 ZINC001242564418 781603093 /nfs/dbraw/zinc/60/30/93/781603093.db2.gz YQGGBVXTCAETNV-UHFFFAOYSA-N -1 1 293.282 2.594 20 30 CFEDMM N#Cc1cc(-c2cccc([C@@H]3CNC(=O)C3)c2)ccc1[O-] ZINC001242564767 781603205 /nfs/dbraw/zinc/60/32/05/781603205.db2.gz SGDDSFRZHGAEPG-HNNXBMFYSA-N -1 1 278.311 2.534 20 30 CFEDMM Cc1nc2[nH]cnc2cc1-c1ccc([O-])c(C#N)c1 ZINC001242565290 781604731 /nfs/dbraw/zinc/60/47/31/781604731.db2.gz VTSVVGFOJLWURV-UHFFFAOYSA-N -1 1 250.261 2.511 20 30 CFEDMM Cc1cc(C(N)=O)cc(C)c1-c1ccc([O-])c(C#N)c1 ZINC001242565399 781604765 /nfs/dbraw/zinc/60/47/65/781604765.db2.gz AWAUNRLQZFEACQ-UHFFFAOYSA-N -1 1 266.300 2.647 20 30 CFEDMM CC1(C)Cc2ccc(-c3ccc([O-])c(C#N)c3)cc2C(=O)N1 ZINC001242566164 781605209 /nfs/dbraw/zinc/60/52/09/781605209.db2.gz LEELUVQKARHANN-UHFFFAOYSA-N -1 1 292.338 2.995 20 30 CFEDMM N#Cc1cc(-c2ccc(OC3CCOCC3)nc2)ccc1[O-] ZINC001242566905 781605906 /nfs/dbraw/zinc/60/59/06/781605906.db2.gz MZQXCPPVEDDDIE-UHFFFAOYSA-N -1 1 296.326 2.884 20 30 CFEDMM N#Cc1nccc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242780379 781758302 /nfs/dbraw/zinc/75/83/02/781758302.db2.gz PMVVWJREGJXYKW-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM N#Cc1[n-]c(=NC[C@H]2CCCCS2)sc1Cl ZINC000596191313 349822466 /nfs/dbraw/zinc/82/24/66/349822466.db2.gz OKZLAVJVKDBDCT-SSDOTTSWSA-N -1 1 273.814 2.788 20 30 CFEDMM N#Cc1[n-]c(=NC[C@@H]2CCCCS2)sc1Cl ZINC000596191314 349822520 /nfs/dbraw/zinc/82/25/20/349822520.db2.gz OKZLAVJVKDBDCT-ZETCQYMHSA-N -1 1 273.814 2.788 20 30 CFEDMM Cc1ccsc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041574336 346353665 /nfs/dbraw/zinc/35/36/65/346353665.db2.gz GNYRKJMQZHGZKY-LLVKDONJSA-N -1 1 271.345 2.953 20 30 CFEDMM N#C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1F ZINC000094102820 347691646 /nfs/dbraw/zinc/69/16/46/347691646.db2.gz KWYLCUNPPHODQU-ZDUSSCGKSA-N -1 1 288.253 2.665 20 30 CFEDMM CCCc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000187628341 348130958 /nfs/dbraw/zinc/13/09/58/348130958.db2.gz HITGZIHVFCBZEQ-KBOKABMXSA-N -1 1 298.338 2.867 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC2CCCCC2)c1 ZINC000589157615 348814030 /nfs/dbraw/zinc/81/40/30/348814030.db2.gz QMOBHVOQJIFBTA-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000589168936 348814908 /nfs/dbraw/zinc/81/49/08/348814908.db2.gz LEXGRHUCSUOOQS-ZUZCIYMTSA-N -1 1 296.326 2.910 20 30 CFEDMM C[C@H]1CCCC[C@@H]1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589170879 348814983 /nfs/dbraw/zinc/81/49/83/348814983.db2.gz HJEWKYICQKTZQU-WCQYABFASA-N -1 1 272.348 2.820 20 30 CFEDMM CCC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589169360 348815397 /nfs/dbraw/zinc/81/53/97/348815397.db2.gz MRYAVPHOOQXQGE-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM C[C@H]1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589178985 348816029 /nfs/dbraw/zinc/81/60/29/348816029.db2.gz GHOXNNZQLOZLIP-MJHDQNEOSA-N -1 1 258.321 2.572 20 30 CFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(C#N)c1 ZINC000589188734 348817695 /nfs/dbraw/zinc/81/76/95/348817695.db2.gz JHTBWVIGLLTXBU-LLVKDONJSA-N -1 1 291.310 2.627 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCCc2cccs2)c1 ZINC000589197494 348819096 /nfs/dbraw/zinc/81/90/96/348819096.db2.gz URFUHSJVYJHBMA-UHFFFAOYSA-N -1 1 286.356 2.688 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3c(c2)COC3)c1 ZINC000589197396 348819300 /nfs/dbraw/zinc/81/93/00/348819300.db2.gz QUKAXNSTBMITKP-UHFFFAOYSA-N -1 1 280.283 2.546 20 30 CFEDMM N#Cc1cc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)ccc1F ZINC000590425829 348899923 /nfs/dbraw/zinc/89/99/23/348899923.db2.gz CVHHVNIKDAOFNQ-UHFFFAOYSA-N -1 1 296.261 2.532 20 30 CFEDMM CC(C)[C@@H]1N(C(=O)c2cc([O-])cc(C#N)c2)CC1(C)C ZINC000590471980 348902470 /nfs/dbraw/zinc/90/24/70/348902470.db2.gz DBCSONLNDAIUOU-AWEZNQCLSA-N -1 1 272.348 2.770 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@H](C3CCC3)C2)cc1[O-] ZINC000591125681 348989969 /nfs/dbraw/zinc/98/99/69/348989969.db2.gz JWQJJQJYJVJQRX-AWEZNQCLSA-N -1 1 270.332 2.526 20 30 CFEDMM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000590893882 348963315 /nfs/dbraw/zinc/96/33/15/348963315.db2.gz RXUGRCGZNNCZIU-BDJLRTHQSA-N -1 1 272.348 2.962 20 30 CFEDMM CC[C@H](C#N)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000593587996 349295197 /nfs/dbraw/zinc/29/51/97/349295197.db2.gz HYUOJVHQZOHDDK-MRVPVSSYSA-N -1 1 297.152 2.951 20 30 CFEDMM CC(C)C[C@@H](C#N)NC(=O)c1ncc2ccccc2c1[O-] ZINC000597076862 350024650 /nfs/dbraw/zinc/02/46/50/350024650.db2.gz UUFSVDMKDGXHQW-LBPRGKRZSA-N -1 1 283.331 2.608 20 30 CFEDMM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000597753509 350131997 /nfs/dbraw/zinc/13/19/97/350131997.db2.gz RUALFNHDKFWPRG-SNVBAGLBSA-N -1 1 258.321 2.667 20 30 CFEDMM CCC(C)(C)[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000597956228 350163110 /nfs/dbraw/zinc/16/31/10/350163110.db2.gz UFLIUJMCZOVXQU-JTQLQIEISA-N -1 1 260.337 2.818 20 30 CFEDMM C=CCCSCCNC(=O)c1c(F)ccc([O-])c1F ZINC000597969730 350165103 /nfs/dbraw/zinc/16/51/03/350165103.db2.gz FRMBEHTZRGBTHM-UHFFFAOYSA-N -1 1 287.331 2.710 20 30 CFEDMM C=CCC1(NC(=O)c2ccc(C#N)c([O-])c2)CCCC1 ZINC000598297566 350228561 /nfs/dbraw/zinc/22/85/61/350228561.db2.gz XGMHAJHOFRKKJG-UHFFFAOYSA-N -1 1 270.332 2.883 20 30 CFEDMM C[C@@]1(C#N)CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000598417811 350264864 /nfs/dbraw/zinc/26/48/64/350264864.db2.gz NGYBJUUVNMLOPP-ZDUSSCGKSA-N -1 1 298.264 2.787 20 30 CFEDMM N#CC1(C(=O)Nc2ccc([O-])c(F)c2F)CC2(CC2)C1 ZINC000601627219 350750081 /nfs/dbraw/zinc/75/00/81/350750081.db2.gz RYEOGJPTPHWXKV-UHFFFAOYSA-N -1 1 278.258 2.693 20 30 CFEDMM CC(C)c1c(Cc2ccccc2)[n-]n(CCC#N)c1=O ZINC000601930823 350805092 /nfs/dbraw/zinc/80/50/92/350805092.db2.gz JIFLXCGKDXAZFO-HNNXBMFYSA-N -1 1 269.348 2.613 20 30 CFEDMM N#CCCCCNC(=O)N=c1[n-]sc2ccccc21 ZINC000603050092 351094916 /nfs/dbraw/zinc/09/49/16/351094916.db2.gz FDEFKPNHSBCUNN-UHFFFAOYSA-N -1 1 274.349 2.534 20 30 CFEDMM CN(CC(C)(C)C#N)C(=O)N=c1[n-]sc2ccccc21 ZINC000603050675 351096075 /nfs/dbraw/zinc/09/60/75/351096075.db2.gz LHQNXBSZUGFAAP-UHFFFAOYSA-N -1 1 288.376 2.732 20 30 CFEDMM N#Cc1ccc(CCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000610339799 351554802 /nfs/dbraw/zinc/55/48/02/351554802.db2.gz QLTPMSSTMGFJFD-UHFFFAOYSA-N -1 1 284.290 2.974 20 30 CFEDMM Cc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613500857 351971410 /nfs/dbraw/zinc/97/14/10/351971410.db2.gz IOWPIQJWUKQMRY-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM CC[C@H](c1ccncc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614298802 352077085 /nfs/dbraw/zinc/07/70/85/352077085.db2.gz DRMWYLOAPBCYED-MRXNPFEDSA-N -1 1 295.342 2.882 20 30 CFEDMM CCc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000614296783 352077201 /nfs/dbraw/zinc/07/72/01/352077201.db2.gz SZAFZPXEUGSTNS-UHFFFAOYSA-N -1 1 286.356 2.818 20 30 CFEDMM C[C@H]1CCC[C@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614299092 352077261 /nfs/dbraw/zinc/07/72/61/352077261.db2.gz BMAPNTZBUYBNJR-RYUDHWBXSA-N -1 1 272.348 2.915 20 30 CFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)C(C1CC1)C1CC1 ZINC000614366187 352085774 /nfs/dbraw/zinc/08/57/74/352085774.db2.gz ITZKJZZEZNACSX-UHFFFAOYSA-N -1 1 270.332 2.524 20 30 CFEDMM CC(C)C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614370615 352086074 /nfs/dbraw/zinc/08/60/74/352086074.db2.gz XGPBVJOVTAPEEC-GFCCVEGCSA-N -1 1 272.348 2.772 20 30 CFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C#N)c1 ZINC000615429148 352192299 /nfs/dbraw/zinc/19/22/99/352192299.db2.gz QWKSERCBBKWOMW-LLVKDONJSA-N -1 1 291.310 2.627 20 30 CFEDMM CN(CC1CCCCC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000618926624 352913613 /nfs/dbraw/zinc/91/36/13/352913613.db2.gz MESLZQIVUHDUDN-UHFFFAOYSA-N -1 1 272.348 2.916 20 30 CFEDMM C#CCN(CC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000272061243 191493292 /nfs/dbraw/zinc/49/32/92/191493292.db2.gz NNZKWZJXHIQEOE-UHFFFAOYSA-N -1 1 271.238 2.506 20 30 CFEDMM C=CCC(C)(C)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000294735063 199157757 /nfs/dbraw/zinc/15/77/57/199157757.db2.gz QHFUODSTWSLAHI-UHFFFAOYSA-N -1 1 277.320 2.720 20 30 CFEDMM C=CCOc1cc(C)nc(-c2ccc(F)c([O-])c2)n1 ZINC001243054280 781958617 /nfs/dbraw/zinc/95/86/17/781958617.db2.gz MJIRCRNBOQQXJD-UHFFFAOYSA-N -1 1 260.268 2.862 20 30 CFEDMM Cc1ccsc1CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000442671299 240976610 /nfs/dbraw/zinc/97/66/10/240976610.db2.gz LSFMWGMULYCOJW-UHFFFAOYSA-N -1 1 286.356 2.606 20 30 CFEDMM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C1CCC1 ZINC000332007155 204383407 /nfs/dbraw/zinc/38/34/07/204383407.db2.gz QUARUSVZGDZLAE-CYBMUJFWSA-N -1 1 296.392 2.788 20 30 CFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000033795232 372499608 /nfs/dbraw/zinc/49/96/08/372499608.db2.gz BZUGXFPZQGDMOR-UHFFFAOYSA-N -1 1 297.339 2.840 20 30 CFEDMM N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1nc2ccccc2[nH]1 ZINC000041494472 372844516 /nfs/dbraw/zinc/84/45/16/372844516.db2.gz UPFZUDVRSUHGQC-JTQLQIEISA-N -1 1 291.314 2.653 20 30 CFEDMM C[C@H](C#N)CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000042460785 372926479 /nfs/dbraw/zinc/92/64/79/372926479.db2.gz OEVHTPJWQCWBEF-LLVKDONJSA-N -1 1 268.316 2.777 20 30 CFEDMM CCO[N-]C(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000049346394 373287916 /nfs/dbraw/zinc/28/79/16/373287916.db2.gz IWUTYEQFGXBMKI-ZDUSSCGKSA-N -1 1 276.336 2.564 20 30 CFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000049487771 373303852 /nfs/dbraw/zinc/30/38/52/373303852.db2.gz WUQWSIBOVGDGPQ-UHFFFAOYSA-N -1 1 272.329 2.668 20 30 CFEDMM C=CCCCN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000289511013 197383315 /nfs/dbraw/zinc/38/33/15/197383315.db2.gz OSUAEZQVBMGZQK-UHFFFAOYSA-N -1 1 255.264 2.709 20 30 CFEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000074932581 374446979 /nfs/dbraw/zinc/44/69/79/374446979.db2.gz SZZXEGYRIAJMLY-UHFFFAOYSA-N -1 1 272.329 2.668 20 30 CFEDMM C=CCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000102466984 375677196 /nfs/dbraw/zinc/67/71/96/375677196.db2.gz BCQZABZHKXXZKX-UHFFFAOYSA-N -1 1 287.359 2.780 20 30 CFEDMM C=C1CCN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)CC1 ZINC000264506974 190114904 /nfs/dbraw/zinc/11/49/04/190114904.db2.gz RFIMLSWLSHOUCY-UHFFFAOYSA-N -1 1 298.342 2.741 20 30 CFEDMM N#Cc1cccc(F)c1CC(=O)Nc1ccc(F)cc1[O-] ZINC000334336850 379115415 /nfs/dbraw/zinc/11/54/15/379115415.db2.gz UEECPYDAEZUAFA-UHFFFAOYSA-N -1 1 288.253 2.723 20 30 CFEDMM Cc1oc(C#N)cc1C(=O)Nc1cccc([O-])c1F ZINC000335382780 379196254 /nfs/dbraw/zinc/19/62/54/379196254.db2.gz IFUNVNSLVKAKFM-UHFFFAOYSA-N -1 1 260.224 2.557 20 30 CFEDMM N#CCCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000171504155 379324479 /nfs/dbraw/zinc/32/44/79/379324479.db2.gz XXKYSBOLMYXVJZ-UHFFFAOYSA-N -1 1 268.316 2.969 20 30 CFEDMM CC(C)Oc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354457222 381282868 /nfs/dbraw/zinc/28/28/68/381282868.db2.gz ADUHVINTAIYNOS-CYBMUJFWSA-N -1 1 281.315 2.754 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)ncn3C)n1 ZINC000355149177 381644794 /nfs/dbraw/zinc/64/47/94/381644794.db2.gz PFNSUKRVTIWJJL-LLVKDONJSA-N -1 1 296.355 2.828 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccnn2C(C)C)n1 ZINC000361661850 381855286 /nfs/dbraw/zinc/85/52/86/381855286.db2.gz HJPSSUWQGWSKGU-JTQLQIEISA-N -1 1 274.349 2.719 20 30 CFEDMM Cc1ocnc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000345367353 382300246 /nfs/dbraw/zinc/30/02/46/382300246.db2.gz DPNXLGFVGMJBCH-JTQLQIEISA-N -1 1 280.287 2.658 20 30 CFEDMM C#CCCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000365291420 382372197 /nfs/dbraw/zinc/37/21/97/382372197.db2.gz SUOAZQVLCUPHHG-UHFFFAOYSA-N -1 1 299.370 2.617 20 30 CFEDMM CCN(Cc1cccs1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188225820 382372509 /nfs/dbraw/zinc/37/25/09/382372509.db2.gz QZQRNZJQTRIGGD-UHFFFAOYSA-N -1 1 286.356 2.988 20 30 CFEDMM CCC(CC)(CC)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188538600 382431317 /nfs/dbraw/zinc/43/13/17/382431317.db2.gz SDNBZNLQEGJOCO-UHFFFAOYSA-N -1 1 260.337 2.962 20 30 CFEDMM Cc1cnc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)s1 ZINC000188620264 382444544 /nfs/dbraw/zinc/44/45/44/382444544.db2.gz RWQVVYZKQNLLKR-VIFPVBQESA-N -1 1 287.344 2.520 20 30 CFEDMM CC[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188425826 382412948 /nfs/dbraw/zinc/41/29/48/382412948.db2.gz SZWQBBDGHLOXFT-LBPRGKRZSA-N -1 1 272.348 2.916 20 30 CFEDMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000190141582 382654575 /nfs/dbraw/zinc/65/45/75/382654575.db2.gz KPBQXOALVNCZAG-MFKMUULPSA-N -1 1 258.321 2.572 20 30 CFEDMM Cc1nc(C(=O)Nc2c([O-])cccc2Cl)ccc1C#N ZINC000552435356 383085765 /nfs/dbraw/zinc/08/57/65/383085765.db2.gz CBICTHHGEOWMTP-UHFFFAOYSA-N -1 1 287.706 2.873 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccnn2CC(C)C)n1 ZINC000566214550 383185319 /nfs/dbraw/zinc/18/53/19/383185319.db2.gz RECPQUVEMLBLAG-LLVKDONJSA-N -1 1 288.376 2.794 20 30 CFEDMM CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436805385 383895460 /nfs/dbraw/zinc/89/54/60/383895460.db2.gz DKDZSQIWAADVQB-ZDUSSCGKSA-N -1 1 298.264 2.833 20 30 CFEDMM N#CC1([N-]C(=O)C(F)(F)c2cccc(Cl)c2)CCC1 ZINC000270525772 385133095 /nfs/dbraw/zinc/13/30/95/385133095.db2.gz UDQZYXHFAUCGAP-UHFFFAOYSA-N -1 1 284.693 2.994 20 30 CFEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000281673852 195331933 /nfs/dbraw/zinc/33/19/33/195331933.db2.gz XULAFHKNJBUCBU-VIFPVBQESA-N -1 1 275.320 2.598 20 30 CFEDMM Cc1nc(SCc2ccc(C#N)cc2)[n-]c(=O)c1C ZINC000537414963 394582191 /nfs/dbraw/zinc/58/21/91/394582191.db2.gz ZFDDMOUVKKZTGI-UHFFFAOYSA-N -1 1 271.345 2.963 20 30 CFEDMM CC(C)(C)CCCC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344413350 162037224 /nfs/dbraw/zinc/03/72/24/162037224.db2.gz XKJJWKQVRYZSKH-UHFFFAOYSA-N -1 1 284.381 2.646 20 30 CFEDMM C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000334650625 225256332 /nfs/dbraw/zinc/25/63/32/225256332.db2.gz GBCVVOYTZRTSMF-JVXZTZIISA-N -1 1 250.685 2.534 20 30 CFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000335263207 226094711 /nfs/dbraw/zinc/09/47/11/226094711.db2.gz JYNJYLDKOXWWKQ-UHFFFAOYSA-N -1 1 290.319 2.693 20 30 CFEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cncc([O-])c1 ZINC000171766508 335078267 /nfs/dbraw/zinc/07/82/67/335078267.db2.gz LKLRTSHQLDGJOY-UHFFFAOYSA-N -1 1 298.342 2.624 20 30 CFEDMM CCn1cc(C([O-])=C(C#N)c2ccncn2)c2ccccc21 ZINC000354470408 227007102 /nfs/dbraw/zinc/00/71/02/227007102.db2.gz RLBMZSORBWDMDX-CYBMUJFWSA-N -1 1 290.326 2.941 20 30 CFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000336571062 227124387 /nfs/dbraw/zinc/12/43/87/227124387.db2.gz IOJHLUCPWXYCAI-UHFFFAOYSA-N -1 1 290.319 2.693 20 30 CFEDMM O=C(NC[C@H]1CC=CCC1)c1csc(=NC2CC2)[n-]1 ZINC000330115836 228042534 /nfs/dbraw/zinc/04/25/34/228042534.db2.gz ULMOQTYXUFHXRZ-JTQLQIEISA-N -1 1 277.393 2.800 20 30 CFEDMM O=C(COCC1CC1)N([O-])Cc1cccc2ccccc21 ZINC000900091711 620636498 /nfs/dbraw/zinc/63/64/98/620636498.db2.gz JJMPKVFQAYPJLN-UHFFFAOYSA-N -1 1 285.343 2.984 20 30 CFEDMM CCOc1cc(C(=O)NCCCCC#N)cc(Cl)c1[O-] ZINC000186782332 262110077 /nfs/dbraw/zinc/11/00/77/262110077.db2.gz KSFZRMLNHSXHCY-UHFFFAOYSA-N -1 1 296.754 2.868 20 30 CFEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000353135421 262271628 /nfs/dbraw/zinc/27/16/28/262271628.db2.gz WNGVUXLMBUWMNZ-SNVBAGLBSA-N -1 1 275.320 2.598 20 30 CFEDMM C[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]1C ZINC000188552260 262314991 /nfs/dbraw/zinc/31/49/91/262314991.db2.gz KRUFWAKYSJFFIE-QWRGUYRKSA-N -1 1 258.321 2.524 20 30 CFEDMM N#CC1CCC(CNC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000289281491 263108529 /nfs/dbraw/zinc/10/85/29/263108529.db2.gz FMWGDLCQHDKCFT-UHFFFAOYSA-N -1 1 294.301 2.730 20 30 CFEDMM C[C@H](C[C@H]1CCCO1)NC(=O)c1c(F)ccc([O-])c1F ZINC000330860225 264055462 /nfs/dbraw/zinc/05/54/62/264055462.db2.gz PHMKFRORIXGOID-RKDXNWHRSA-N -1 1 285.290 2.933 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc([O-])cc1F ZINC000331232591 264153307 /nfs/dbraw/zinc/15/33/07/264153307.db2.gz JNPZCYVFRFSIQZ-YGRLFVJLSA-N -1 1 279.311 2.817 20 30 CFEDMM CC1(C)CC[C@@H](CNC(=O)c2c([O-])cccc2F)O1 ZINC000331245735 264178483 /nfs/dbraw/zinc/17/84/83/264178483.db2.gz UDDDRSOGBCJDNY-VIFPVBQESA-N -1 1 267.300 2.794 20 30 CFEDMM C[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188544534 280027137 /nfs/dbraw/zinc/02/71/37/280027137.db2.gz USIVJUACHAKXQH-LBPRGKRZSA-N -1 1 292.338 2.851 20 30 CFEDMM Cc1cc(C#N)cnc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000551052918 281831427 /nfs/dbraw/zinc/83/14/27/281831427.db2.gz SHEWTRFOPIOAMF-UHFFFAOYSA-N -1 1 296.261 2.823 20 30 CFEDMM C=CCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000338748081 327989116 /nfs/dbraw/zinc/98/91/16/327989116.db2.gz ASPOSXJUNJZTAN-UHFFFAOYSA-N -1 1 257.293 2.687 20 30 CFEDMM CCOc1cc(C(=O)NC2(C#N)CCC2)cc(Cl)c1[O-] ZINC000273972679 328207558 /nfs/dbraw/zinc/20/75/58/328207558.db2.gz RTZRQCLACNRCPS-UHFFFAOYSA-N -1 1 294.738 2.620 20 30 CFEDMM N#Cc1c(F)cccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000187272140 323993390 /nfs/dbraw/zinc/99/33/90/323993390.db2.gz WEZKYURKPPVYMK-UHFFFAOYSA-N -1 1 274.226 2.794 20 30 CFEDMM CC[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188295998 324012834 /nfs/dbraw/zinc/01/28/34/324012834.db2.gz YLYKZOOYGHWANG-NSHDSACASA-N -1 1 258.321 2.526 20 30 CFEDMM CC(C)C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188593679 324018597 /nfs/dbraw/zinc/01/85/97/324018597.db2.gz AIELNJUCZKHCHK-LBPRGKRZSA-N -1 1 272.348 2.772 20 30 CFEDMM COC1(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000900091584 620636626 /nfs/dbraw/zinc/63/66/26/620636626.db2.gz CHRKUPFFLZVTCR-UHFFFAOYSA-N -1 1 271.316 2.737 20 30 CFEDMM C=CCC(C)(C)CNC(=O)c1c([O-])cccc1F ZINC000311091366 327029671 /nfs/dbraw/zinc/02/96/71/327029671.db2.gz QXCHGERXTSDGBJ-UHFFFAOYSA-N -1 1 251.301 2.863 20 30 CFEDMM CC[C@@](C)(C#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000151784922 327504920 /nfs/dbraw/zinc/50/49/20/327504920.db2.gz QGIHVTNKKKULBY-INIZCTEOSA-N -1 1 268.316 2.967 20 30 CFEDMM C#CC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000270542208 330075680 /nfs/dbraw/zinc/07/56/80/330075680.db2.gz XLQYQLUPJFTGJV-JTQLQIEISA-N -1 1 273.229 2.768 20 30 CFEDMM C=C[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436753445 330684201 /nfs/dbraw/zinc/68/42/01/330684201.db2.gz UQZAFGPGWICSIK-ZETCQYMHSA-N -1 1 259.227 2.715 20 30 CFEDMM N#C[C@H]1CC[C@H](Sc2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000450834517 331001819 /nfs/dbraw/zinc/00/18/19/331001819.db2.gz DFGHUEDPUVPHFE-BQBZGAKWSA-N -1 1 289.282 2.985 20 30 CFEDMM C=C(C)CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000451804527 331042933 /nfs/dbraw/zinc/04/29/33/331042933.db2.gz VGLXQSHCNLPATC-UHFFFAOYSA-N -1 1 277.748 2.724 20 30 CFEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1sccc1Cl ZINC000451808796 331043164 /nfs/dbraw/zinc/04/31/64/331043164.db2.gz HICPYEVHJOMGPN-UHFFFAOYSA-N -1 1 279.814 2.892 20 30 CFEDMM C=CCOCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000475990270 331650744 /nfs/dbraw/zinc/65/07/44/331650744.db2.gz YPVDRFNAKJONIZ-UHFFFAOYSA-N -1 1 294.298 2.886 20 30 CFEDMM Cc1cc(Cl)cc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354476171 533770710 /nfs/dbraw/zinc/77/07/10/533770710.db2.gz YTMADJUTOFLOKZ-LBPRGKRZSA-N -1 1 271.707 2.929 20 30 CFEDMM CC(C)[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000336171661 519802236 /nfs/dbraw/zinc/80/22/36/519802236.db2.gz LSRQOKUGPJJWLB-CQSZACIVSA-N -1 1 272.348 2.772 20 30 CFEDMM Cc1ccc([O-])c(C(=O)N2CCc3ccc(C#N)cc32)c1 ZINC000336367113 525336781 /nfs/dbraw/zinc/33/67/81/525336781.db2.gz ANQXHFDGWLRNKA-UHFFFAOYSA-N -1 1 278.311 2.775 20 30 CFEDMM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC000050510657 526626066 /nfs/dbraw/zinc/62/60/66/526626066.db2.gz XBLMGRIUUGXYIF-HNNXBMFYSA-N -1 1 284.290 2.613 20 30 CFEDMM C=CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000347163819 526919747 /nfs/dbraw/zinc/91/97/47/526919747.db2.gz XZELZNVXNSIRDG-UHFFFAOYSA-N -1 1 287.275 2.740 20 30 CFEDMM C[C@@H](C#N)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730361490 574077179 /nfs/dbraw/zinc/07/71/79/574077179.db2.gz CBRNRKUOVMZICO-YFKPBYRVSA-N -1 1 260.076 2.768 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(F)c(F)c(F)c1 ZINC000730431303 574080979 /nfs/dbraw/zinc/08/09/79/574080979.db2.gz YEGNPDRXMRAZSQ-UHFFFAOYSA-N -1 1 296.252 2.744 20 30 CFEDMM C=CCN(Cc1ccccc1F)C[C@H]1CCN(C(=O)[O-])C1 ZINC000738492791 574095254 /nfs/dbraw/zinc/09/52/54/574095254.db2.gz UJVIMCVLZITLFV-CYBMUJFWSA-N -1 1 292.354 2.814 20 30 CFEDMM Cc1cc(CN=Nc2cccc(C(=O)[O-])c2)c(C)n1C ZINC000754899369 574127527 /nfs/dbraw/zinc/12/75/27/574127527.db2.gz ATUDIONYNXWFST-UHFFFAOYSA-N -1 1 271.320 2.786 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2coc(-c3ccccc3)n2)n1 ZINC000755456379 574162978 /nfs/dbraw/zinc/16/29/78/574162978.db2.gz VULQZLUGQIIIAY-UHFFFAOYSA-N -1 1 295.302 2.592 20 30 CFEDMM Cc1ccnc(NN=Cc2cccc(OCCC(=O)[O-])c2)c1 ZINC000755907135 574196676 /nfs/dbraw/zinc/19/66/76/574196676.db2.gz VCIBBDMEDMKUNA-UHFFFAOYSA-N -1 1 299.330 2.690 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cnc2ccsc2c1 ZINC000739399868 574211940 /nfs/dbraw/zinc/21/19/40/574211940.db2.gz BKRDKUGHGYXUOC-UHFFFAOYSA-N -1 1 299.359 2.936 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccco1 ZINC000756905861 574272163 /nfs/dbraw/zinc/27/21/63/574272163.db2.gz NODIYFDSNIDLKD-UHFFFAOYSA-N -1 1 274.276 2.823 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc2ccccc2n1 ZINC000749806395 574310171 /nfs/dbraw/zinc/31/01/71/574310171.db2.gz CMMMCKWHWZWFSB-UHFFFAOYSA-N -1 1 293.330 2.875 20 30 CFEDMM COc1ccc(CNN=Cc2cccc(F)c2[O-])cc1 ZINC000755654394 574310509 /nfs/dbraw/zinc/31/05/09/574310509.db2.gz JEUNPKFYYYASLE-UHFFFAOYSA-N -1 1 274.295 2.664 20 30 CFEDMM C[C@@]1(C#N)CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000753164979 574399686 /nfs/dbraw/zinc/39/96/86/574399686.db2.gz UHTHQLPWPWXNQD-AWEZNQCLSA-N -1 1 278.739 2.811 20 30 CFEDMM CC(C)CCN(CCC#N)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000824238180 603567392 /nfs/dbraw/zinc/56/73/92/603567392.db2.gz BIIAIKVJYUWRKH-CQSZACIVSA-N -1 1 281.400 2.638 20 30 CFEDMM CN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1(C#N)CCC1 ZINC000900355138 620663993 /nfs/dbraw/zinc/66/39/93/620663993.db2.gz RSMBSCVUNGODJB-UHFFFAOYSA-N -1 1 296.326 2.769 20 30 CFEDMM CC[C@@](C)(C#N)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900464001 620678980 /nfs/dbraw/zinc/67/89/80/620678980.db2.gz JJCGFMHMCMYZNU-HNNXBMFYSA-N -1 1 287.294 2.502 20 30 CFEDMM C=C(Br)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000833367599 604954295 /nfs/dbraw/zinc/95/42/95/604954295.db2.gz OXFFILSUVZLROT-JQWIXIFHSA-N -1 1 298.180 2.947 20 30 CFEDMM C#CCN(Cc1ccc(C(=O)[O-])[nH]1)[C@H]1CCc2ccccc21 ZINC000833364207 605099410 /nfs/dbraw/zinc/09/94/10/605099410.db2.gz HGHHANXCNUQMRX-KRWDZBQOSA-N -1 1 294.354 2.836 20 30 CFEDMM CCn1ccnc1CN=Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833683760 605156589 /nfs/dbraw/zinc/15/65/89/605156589.db2.gz WLCQDLJKENWCPQ-UHFFFAOYSA-N -1 1 292.726 2.701 20 30 CFEDMM CC[C@H](C)CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000825059686 607887349 /nfs/dbraw/zinc/88/73/49/607887349.db2.gz IRHGMMMBBVJLQP-QMMMGPOBSA-N -1 1 291.359 2.596 20 30 CFEDMM O=C(C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400989 608093021 /nfs/dbraw/zinc/09/30/21/608093021.db2.gz MRZITJOGUNHMQU-VOTSOKGWSA-N -1 1 282.328 2.824 20 30 CFEDMM O=C(C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400989 608093022 /nfs/dbraw/zinc/09/30/22/608093022.db2.gz MRZITJOGUNHMQU-VOTSOKGWSA-N -1 1 282.328 2.824 20 30 CFEDMM O=C(COC(F)(F)F)N([O-])Cc1ccccc1Cl ZINC000900679443 620701156 /nfs/dbraw/zinc/70/11/56/620701156.db2.gz RNSCYBSIGVKPEK-UHFFFAOYSA-N -1 1 283.633 2.594 20 30 CFEDMM C=CC[C@@H]1CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000890561746 617654185 /nfs/dbraw/zinc/65/41/85/617654185.db2.gz JNGSWDLRPAUPQZ-SNVBAGLBSA-N -1 1 296.164 2.945 20 30 CFEDMM C=CC[C@@H]1CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000890561868 617654210 /nfs/dbraw/zinc/65/42/10/617654210.db2.gz MANJISGGEDOZFA-SNVBAGLBSA-N -1 1 251.713 2.836 20 30 CFEDMM C#CCOc1ccccc1NC(=O)c1ccc(OC)cc1[O-] ZINC000187183002 617677411 /nfs/dbraw/zinc/67/74/11/617677411.db2.gz FKPDUVDRXIFFDO-UHFFFAOYSA-N -1 1 297.310 2.665 20 30 CFEDMM C#CCOc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000187211941 617679262 /nfs/dbraw/zinc/67/92/62/617679262.db2.gz HYAQFEPARIBMOA-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM C=C1CCC(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC1 ZINC000891614646 617685902 /nfs/dbraw/zinc/68/59/02/617685902.db2.gz GMJHPXWCTSXAHB-UHFFFAOYSA-N -1 1 287.363 2.746 20 30 CFEDMM C=C[C@@](C)(CC)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891618253 617687380 /nfs/dbraw/zinc/68/73/80/617687380.db2.gz NXTFUCMGCYDMAU-HNNXBMFYSA-N -1 1 275.352 2.602 20 30 CFEDMM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(F)nc2)c(O)c1 ZINC000806558743 617719182 /nfs/dbraw/zinc/71/91/82/617719182.db2.gz KKAFRCPOOFTJMO-KTAJNNJTSA-N -1 1 287.246 2.521 20 30 CFEDMM C#C[C@H]1CCCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000890648114 617734921 /nfs/dbraw/zinc/73/49/21/617734921.db2.gz SCDRQXUCNLADQM-NSHDSACASA-N -1 1 293.750 2.682 20 30 CFEDMM Cc1noc(C)c1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000255053759 617821267 /nfs/dbraw/zinc/82/12/67/617821267.db2.gz ORJDHQPIPYBNBS-AWNIVKPZSA-N -1 1 257.245 2.613 20 30 CFEDMM CCCCC1(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000889528340 618057350 /nfs/dbraw/zinc/05/73/50/618057350.db2.gz HCDSLYDQXMXZNS-UHFFFAOYSA-N -1 1 258.321 2.716 20 30 CFEDMM CCO[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)C(C)C ZINC000901372351 620797480 /nfs/dbraw/zinc/79/74/80/620797480.db2.gz CJJKFZFUYCDTSC-CYBMUJFWSA-N -1 1 269.316 2.605 20 30 CFEDMM CO[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901374637 620798642 /nfs/dbraw/zinc/79/86/42/620798642.db2.gz OOHDSOWQXKAVIV-OAHLLOKOSA-N -1 1 289.306 2.931 20 30 CFEDMM CCc1nn(C)cc1/C=C\C(=O)c1cc(C)ccc1[O-] ZINC000255873000 618456188 /nfs/dbraw/zinc/45/61/88/618456188.db2.gz DVEZIYMKJNRKJC-VURMDHGXSA-N -1 1 270.332 2.893 20 30 CFEDMM Cc1ccc(N=NCc2cccc(OCCC(=O)[O-])c2)nc1 ZINC000727260496 618475848 /nfs/dbraw/zinc/47/58/48/618475848.db2.gz YIAQMOOVYSUEPN-UHFFFAOYSA-N -1 1 299.330 2.690 20 30 CFEDMM CC(C)(CC#N)CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895302056 618523033 /nfs/dbraw/zinc/52/30/33/618523033.db2.gz QTRLWAFPUHTNHH-UHFFFAOYSA-N -1 1 295.770 2.785 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2cccc3nccn32)c1 ZINC000255901196 618653113 /nfs/dbraw/zinc/65/31/13/618653113.db2.gz BRVGGTFYVSAGIB-ALCCZGGFSA-N -1 1 294.310 2.945 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NNc2ccc(F)cc2)c1 ZINC000726737185 619259425 /nfs/dbraw/zinc/25/94/25/619259425.db2.gz BAJVBPIEXWGJES-UHFFFAOYSA-N -1 1 288.278 2.764 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NNc2ccc(C)cc2)c1 ZINC000726738286 619259901 /nfs/dbraw/zinc/25/99/01/619259901.db2.gz TUGTWHFWJCAQOG-UHFFFAOYSA-N -1 1 284.315 2.933 20 30 CFEDMM C#CCCc1cc(=O)n(-c2ccnc(C(F)(F)F)c2)[n-]1 ZINC000899353602 620548438 /nfs/dbraw/zinc/54/84/38/620548438.db2.gz SZYKUCWUUQYKKX-UHFFFAOYSA-N -1 1 281.237 2.607 20 30 CFEDMM C#CCc1c(C)[n-]n(Cc2cccc(Cl)c2)c1=O ZINC000899351079 620550835 /nfs/dbraw/zinc/55/08/35/620550835.db2.gz YVCQMTCCZGMSDU-CYBMUJFWSA-N -1 1 260.724 2.698 20 30 CFEDMM Cn1nc2c(c1/C=C/C(=O)c1cccc([O-])c1F)CCC2 ZINC000899390251 620558057 /nfs/dbraw/zinc/55/80/57/620558057.db2.gz WAMKHGQAODUKDG-CMDGGOBGSA-N -1 1 286.306 2.650 20 30 CFEDMM C=CCN(Cc1cc(C(=O)[O-])no1)CC1CCCCC1 ZINC000902253923 621006383 /nfs/dbraw/zinc/00/63/83/621006383.db2.gz XPOBFAZJPZDDMB-UHFFFAOYSA-N -1 1 278.352 2.941 20 30 CFEDMM C[C@]1(C(=O)N([O-])Cc2ccccc2Cl)CCCO1 ZINC000904188859 621545490 /nfs/dbraw/zinc/54/54/90/621545490.db2.gz QOWIWZKBCDSXCE-CYBMUJFWSA-N -1 1 269.728 2.627 20 30 CFEDMM C=CCCC[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)[O-] ZINC000910913969 622486383 /nfs/dbraw/zinc/48/63/83/622486383.db2.gz AHPPZRBUVYJSGE-NSHDSACASA-N -1 1 297.738 2.585 20 30 CFEDMM COC(=O)c1occc1/C=C/C(=O)c1cc(C)ccc1[O-] ZINC000156698670 622957024 /nfs/dbraw/zinc/95/70/24/622957024.db2.gz OYIKWBCCMGKGPS-GQCTYLIASA-N -1 1 286.283 2.976 20 30 CFEDMM C=C(Cl)CNC(=O)c1ccc(Br)c([O-])c1 ZINC000231347647 623337271 /nfs/dbraw/zinc/33/72/71/623337271.db2.gz WKBIWWVKHHEQIP-UHFFFAOYSA-N -1 1 290.544 2.637 20 30 CFEDMM CC(=NN(C)[C@@H](C)CO)c1cc(Cl)c(Cl)cc1[O-] ZINC000842540251 623485764 /nfs/dbraw/zinc/48/57/64/623485764.db2.gz IHSIPBWFFRWFLP-ZETCQYMHSA-N -1 1 291.178 2.736 20 30 CFEDMM CCn1nnc(C)c1/C=C/C(=O)c1cc(C)ccc1[O-] ZINC000834430603 625675584 /nfs/dbraw/zinc/67/55/84/625675584.db2.gz TUXONNNEYCQSAP-SOFGYWHQSA-N -1 1 271.320 2.517 20 30 CFEDMM CCCCCCCC[C@H](C)C(=O)Nc1nnn[n-]1 ZINC000828074646 624164577 /nfs/dbraw/zinc/16/45/77/624164577.db2.gz VJPJSFGSUNAFJY-JTQLQIEISA-N -1 1 253.350 2.525 20 30 CFEDMM CCCCCCCC[C@H](C)C(=O)Nc1nn[n-]n1 ZINC000828074646 624164583 /nfs/dbraw/zinc/16/45/83/624164583.db2.gz VJPJSFGSUNAFJY-JTQLQIEISA-N -1 1 253.350 2.525 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(C)c(C)c2)n1 ZINC000915931343 624190750 /nfs/dbraw/zinc/19/07/50/624190750.db2.gz BIHBQVWCVVXJNM-UHFFFAOYSA-N -1 1 256.309 2.553 20 30 CFEDMM COc1cccc2cc(C=NNc3nc(C)cc(=O)[n-]3)oc21 ZINC000916241998 624231983 /nfs/dbraw/zinc/23/19/83/624231983.db2.gz UPTPHUAFMARMDL-UHFFFAOYSA-N -1 1 298.302 2.691 20 30 CFEDMM N#CC1(NC(=O)c2c([O-])cccc2Cl)CCCC1 ZINC000920448210 624724668 /nfs/dbraw/zinc/72/46/68/624724668.db2.gz JIHIPIWHRSIVLQ-UHFFFAOYSA-N -1 1 264.712 2.612 20 30 CFEDMM N#CC1([N-]C(=O)C(F)(F)c2ccc(F)cc2)CCCC1 ZINC000920863596 624774880 /nfs/dbraw/zinc/77/48/80/624774880.db2.gz WEBMNPWKMYNWOX-UHFFFAOYSA-N -1 1 282.265 2.870 20 30 CFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(C)C ZINC000831374069 625003075 /nfs/dbraw/zinc/00/30/75/625003075.db2.gz CNGHFRQHIQYDDE-GFCCVEGCSA-N -1 1 295.335 2.508 20 30 CFEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000182044519 625251770 /nfs/dbraw/zinc/25/17/70/625251770.db2.gz FQVLUIWNVPPFKX-JTQLQIEISA-N -1 1 298.298 2.641 20 30 CFEDMM CCOC(=O)C(C)(C)ON=Cc1ccc([O-])c(Cl)c1 ZINC000835005748 625953735 /nfs/dbraw/zinc/95/37/35/625953735.db2.gz OIPMGNIIYGMOPO-UHFFFAOYSA-N -1 1 285.727 2.738 20 30 CFEDMM CC1(C)OCC[C@@H]1NN=Cc1c([O-])ccc(Cl)c1F ZINC000835015884 625961318 /nfs/dbraw/zinc/96/13/18/625961318.db2.gz HGMXJYAVCUHJGM-NSHDSACASA-N -1 1 286.734 2.676 20 30 CFEDMM C=C(Cl)CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000851709055 634480551 /nfs/dbraw/zinc/48/05/51/634480551.db2.gz QNJGYWDMVFNANS-QWHCGFSZSA-N -1 1 265.740 2.539 20 30 CFEDMM Cc1nn(C)c(Cl)c1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000757467257 626552809 /nfs/dbraw/zinc/55/28/09/626552809.db2.gz CHNOLXDTPLIGHP-XQRVVYSFSA-N -1 1 292.722 2.689 20 30 CFEDMM N#Cc1c(F)ccc(C=C2SC(=S)[N-]C2=O)c1Cl ZINC000761375685 626829969 /nfs/dbraw/zinc/82/99/69/626829969.db2.gz IDFDXAWUNFZOFV-BAQGIRSFSA-N -1 1 298.751 2.840 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2cccc3cccnc23)nc1 ZINC000763372148 626984016 /nfs/dbraw/zinc/98/40/16/626984016.db2.gz VKQVULSCCXXAOW-UHFFFAOYSA-N -1 1 292.298 2.774 20 30 CFEDMM O=C([O-])c1ccc2c(C=NNc3ccccc3F)n[nH]c2c1 ZINC000765572072 627147592 /nfs/dbraw/zinc/14/75/92/627147592.db2.gz IYKJQACEXFFTSK-UHFFFAOYSA-N -1 1 298.277 2.846 20 30 CFEDMM CC(C)C[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765759219 627156275 /nfs/dbraw/zinc/15/62/75/627156275.db2.gz BYEDYHGIKVIRKC-SNVBAGLBSA-N -1 1 284.281 2.972 20 30 CFEDMM CC(C)(O)c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000768282219 627330535 /nfs/dbraw/zinc/33/05/35/627330535.db2.gz FBWCHQFPJHRBAW-UHFFFAOYSA-N -1 1 296.326 2.744 20 30 CFEDMM N#Cc1cc(Cl)nc(NN=Cc2cccc(F)c2[O-])c1 ZINC000768374733 627338072 /nfs/dbraw/zinc/33/80/72/627338072.db2.gz JLYHXNNCTCCVIK-UHFFFAOYSA-N -1 1 290.685 2.897 20 30 CFEDMM CC(=NNCCOC(C)C)c1ccc([O-])c(Cl)c1 ZINC000768783365 627371846 /nfs/dbraw/zinc/37/18/46/627371846.db2.gz DIRYTLDLPVRGQN-UHFFFAOYSA-N -1 1 270.760 2.784 20 30 CFEDMM CC(C)CC=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769809831 627477262 /nfs/dbraw/zinc/47/72/62/627477262.db2.gz IRDINMLCAWLPLZ-UHFFFAOYSA-N -1 1 290.371 2.731 20 30 CFEDMM CCC(C[C@@H](C)CC)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769817772 627477774 /nfs/dbraw/zinc/47/77/74/627477774.db2.gz CHVCCWCQRFUZIW-VIFPVBQESA-N -1 1 290.371 2.683 20 30 CFEDMM C#C[C@@H](CC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000770380183 627517240 /nfs/dbraw/zinc/51/72/40/627517240.db2.gz YBKFBMYSCHETQO-QMMMGPOBSA-N -1 1 292.187 2.684 20 30 CFEDMM C#Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cn1 ZINC000771199839 627583598 /nfs/dbraw/zinc/58/35/98/627583598.db2.gz PVTIDSYKFKPUCN-UHFFFAOYSA-N -1 1 281.246 2.625 20 30 CFEDMM C#Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)nc1 ZINC000771222310 627585798 /nfs/dbraw/zinc/58/57/98/627585798.db2.gz HLULXTCXBGMWFH-UHFFFAOYSA-N -1 1 281.246 2.625 20 30 CFEDMM C=C(Cl)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776479631 628153117 /nfs/dbraw/zinc/15/31/17/628153117.db2.gz HDXGITHGGDTATB-UHFFFAOYSA-N -1 1 279.645 2.893 20 30 CFEDMM Cc1n[nH]c(C)c1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000780189289 628438028 /nfs/dbraw/zinc/43/80/28/628438028.db2.gz YYCXBYSDFJIBCK-XFFZJAGNSA-N -1 1 254.289 2.555 20 30 CFEDMM C#CCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000789966089 629199015 /nfs/dbraw/zinc/19/90/15/629199015.db2.gz DECCYCQDYIRQQQ-UHFFFAOYSA-N -1 1 256.330 2.883 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(OCC3CC3)cc2)n1 ZINC000790136351 629212974 /nfs/dbraw/zinc/21/29/74/629212974.db2.gz HPMRJMBWHOPTDX-UHFFFAOYSA-N -1 1 298.346 2.725 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1C=NOCC(F)F ZINC000790175715 629216435 /nfs/dbraw/zinc/21/64/35/629216435.db2.gz HYMVXEHYXHQLEX-UHFFFAOYSA-N -1 1 253.607 2.800 20 30 CFEDMM Cc1ccc2c(c1)CCN2C(=O)c1cc([O-])cc(C#N)c1 ZINC000792542147 629432325 /nfs/dbraw/zinc/43/23/25/629432325.db2.gz WZJDQALXRYWWRJ-UHFFFAOYSA-N -1 1 278.311 2.775 20 30 CFEDMM CC[C@@H](C)CON=Cc1n[nH]c2cc(C(=O)[O-])ccc12 ZINC000793160733 629495116 /nfs/dbraw/zinc/49/51/16/629495116.db2.gz XDGUUHXFUISDSW-SECBINFHSA-N -1 1 275.308 2.658 20 30 CFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000794580048 629664505 /nfs/dbraw/zinc/66/45/05/629664505.db2.gz HFITZXMOKXMRRI-UHFFFAOYSA-N -1 1 296.351 2.535 20 30 CFEDMM Cc1cnn(C)c1/C=C/C(=O)c1c(C)cc(C)cc1[O-] ZINC000794713639 629678487 /nfs/dbraw/zinc/67/84/87/629678487.db2.gz OBFONWMYFYUKJJ-AATRIKPKSA-N -1 1 270.332 2.947 20 30 CFEDMM Cc1ccc2c(c1C)NC(=O)C2=N[N-]c1ncccc1F ZINC000794990006 629718423 /nfs/dbraw/zinc/71/84/23/629718423.db2.gz IOEYXXYLFGYCTE-UHFFFAOYSA-N -1 1 284.294 2.606 20 30 CFEDMM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H](C)C#N ZINC000852639341 634796448 /nfs/dbraw/zinc/79/64/48/634796448.db2.gz LUZVSTOIIIPBTD-SECBINFHSA-N -1 1 280.755 2.982 20 30 CFEDMM C#C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(C)C ZINC000799045665 630269874 /nfs/dbraw/zinc/26/98/74/630269874.db2.gz NHWOSJUUCKEUTA-NSHDSACASA-N -1 1 287.256 2.831 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1c(C)cc(C)cc1O ZINC000799865941 630349696 /nfs/dbraw/zinc/34/96/96/630349696.db2.gz PAJQBCLPOAZAAQ-UHFFFAOYSA-N -1 1 286.335 2.649 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C/c2csnn2)c([O-])c1 ZINC000799895301 630352417 /nfs/dbraw/zinc/35/24/17/630352417.db2.gz OSQBMKPQWSNCBE-ONEGZZNKSA-N -1 1 260.318 2.757 20 30 CFEDMM CC[C@@](C)(C#N)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000803782363 630643427 /nfs/dbraw/zinc/64/34/27/630643427.db2.gz OODRHYCCXDTLMR-INIZCTEOSA-N -1 1 289.331 2.620 20 30 CFEDMM COc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)c1 ZINC000806558978 630812623 /nfs/dbraw/zinc/81/26/23/630812623.db2.gz RBPHUWBLNHOXPS-YVMONPNESA-N -1 1 298.294 2.995 20 30 CFEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000836878912 630906402 /nfs/dbraw/zinc/90/64/02/630906402.db2.gz DWDSALKETTZSCN-PWSUYJOCSA-N -1 1 281.739 2.509 20 30 CFEDMM CC[C@@H](O)CNN=C(C)c1cc(Cl)c(Cl)cc1[O-] ZINC000811656576 631596279 /nfs/dbraw/zinc/59/62/79/631596279.db2.gz QBQKAXNYNGIPMT-MRVPVSSYSA-N -1 1 291.178 2.784 20 30 CFEDMM N#Cc1csc(/C=C2\Cc3cc([O-])ccc3C2=O)n1 ZINC000811693558 631606959 /nfs/dbraw/zinc/60/69/59/631606959.db2.gz KVGWWQIATIBHTH-WEVVVXLNSA-N -1 1 268.297 2.543 20 30 CFEDMM C#CCOc1ccccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000811696469 631607848 /nfs/dbraw/zinc/60/78/48/631607848.db2.gz DRIGUNZCBVJIOA-UHFFFAOYSA-N -1 1 295.404 2.877 20 30 CFEDMM CC(=NNC12CC(C1)C2)c1ccc([O-])c(Cl)c1 ZINC000842547620 631662614 /nfs/dbraw/zinc/66/26/14/631662614.db2.gz ULLPKJOAQQGUGO-UHFFFAOYSA-N -1 1 250.729 2.912 20 30 CFEDMM CC(C)OCCON=Cc1ccc([O-])c(Cl)c1 ZINC000812240542 631677774 /nfs/dbraw/zinc/67/77/74/631677774.db2.gz ULSUYBLLXLTAKP-UHFFFAOYSA-N -1 1 257.717 2.821 20 30 CFEDMM N#CCOc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC000812446312 631719030 /nfs/dbraw/zinc/71/90/30/631719030.db2.gz XVERLDCEYHSWQZ-UHFFFAOYSA-N -1 1 295.298 2.733 20 30 CFEDMM [O-]c1cc(F)c(Cl)cc1CN=Nc1ncc(F)cn1 ZINC000814889410 632150538 /nfs/dbraw/zinc/15/05/38/632150538.db2.gz LUKMOGVHZSNIAB-UHFFFAOYSA-N -1 1 284.653 2.560 20 30 CFEDMM CCCNN=C(C)c1ccc([O-])c(Br)c1 ZINC000844575313 632251531 /nfs/dbraw/zinc/25/15/31/632251531.db2.gz FZWUFUCHQNCQDI-UHFFFAOYSA-N -1 1 271.158 2.878 20 30 CFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ncoc1C1CC1 ZINC000815907657 632332584 /nfs/dbraw/zinc/33/25/84/632332584.db2.gz HAMXFQPQBIAAIQ-GFCCVEGCSA-N -1 1 295.298 2.513 20 30 CFEDMM C[C@]1(CCNC(=O)c2cc([O-])cc(C#N)c2)C[C@@]1(F)Cl ZINC000846411750 632705773 /nfs/dbraw/zinc/70/57/73/632705773.db2.gz OUZRILSRLPDXSU-KBPBESRZSA-N -1 1 296.729 2.698 20 30 CFEDMM C=C(C)CO[N-]C(=O)C1(Cc2ccccc2)CCOCC1 ZINC000846533920 632724172 /nfs/dbraw/zinc/72/41/72/632724172.db2.gz HUTHNKMRXTUBQL-UHFFFAOYSA-N -1 1 289.375 2.650 20 30 CFEDMM O=C(/C=C\c1cc2n(n1)CCCC2)c1ccc([O-])cc1 ZINC000848638604 633305405 /nfs/dbraw/zinc/30/54/05/633305405.db2.gz JTKDMYDRTWHVAQ-TWGQIWQCSA-N -1 1 268.316 2.821 20 30 CFEDMM O=C(/C=C\c1ccnn1CC1CC1)c1cc(O)ccc1[O-] ZINC000849246843 633589698 /nfs/dbraw/zinc/58/96/98/633589698.db2.gz LUTYUQYJYDWKNF-HYXAFXHYSA-N -1 1 284.315 2.600 20 30 CFEDMM Cc1ccc([O-])c(C(=O)/C=C\c2cn(C3CCC3)nn2)c1 ZINC000849247693 633590483 /nfs/dbraw/zinc/59/04/83/633590483.db2.gz VZJLVBAKKZBEGO-VURMDHGXSA-N -1 1 283.331 2.913 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccnn1CC1CC1 ZINC000849249751 633591185 /nfs/dbraw/zinc/59/11/85/633591185.db2.gz MCOAHGOZJJIWJZ-JYRVWZFOSA-N -1 1 280.327 2.821 20 30 CFEDMM C=CCCCC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000854505600 635319809 /nfs/dbraw/zinc/31/98/09/635319809.db2.gz BFPWDNRFDXNCCJ-UHFFFAOYSA-N -1 1 260.293 2.747 20 30 CFEDMM C=CCC1(NC(=O)c2c([O-])cccc2Cl)CCOCC1 ZINC000855686285 635616692 /nfs/dbraw/zinc/61/66/92/635616692.db2.gz CAOOTNOYBSXEMS-UHFFFAOYSA-N -1 1 295.766 2.901 20 30 CFEDMM C=C(C)C[C@@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000864531101 638014754 /nfs/dbraw/zinc/01/47/54/638014754.db2.gz VFQPQOUTCRTAFD-LLVKDONJSA-N -1 1 282.409 2.950 20 30 CFEDMM Cn1nc2c(c1/C=C/C(=O)c1cc(O)ccc1[O-])CCCC2 ZINC000865221624 638228061 /nfs/dbraw/zinc/22/80/61/638228061.db2.gz ZKQLFPHFCWDBCB-VQHVLOKHSA-N -1 1 298.342 2.606 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2cn(C3CC3)cn2)c1 ZINC000865221408 638228252 /nfs/dbraw/zinc/22/82/52/638228252.db2.gz YAGDHIWHRORHRT-KXFIGUGUSA-N -1 1 284.315 2.828 20 30 CFEDMM C=C1CC(C)(C(=O)Nc2nc(Br)ccc2[O-])C1 ZINC000867713762 638893872 /nfs/dbraw/zinc/89/38/72/638893872.db2.gz XUFTXWWCPMENOI-UHFFFAOYSA-N -1 1 297.152 2.845 20 30 CFEDMM C#CCO[N-]C(=O)Cc1csc2sc(CC)cc12 ZINC000869254051 639106051 /nfs/dbraw/zinc/10/60/51/639106051.db2.gz LQBLQUBGSKOPOE-UHFFFAOYSA-N -1 1 279.386 2.749 20 30 CFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nocc2C)cc1 ZINC000870139842 639528703 /nfs/dbraw/zinc/52/87/03/639528703.db2.gz RMKSRHKKRHEJOU-ZDUSSCGKSA-N -1 1 297.314 2.507 20 30 CFEDMM CC1(C)CC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870692069 639774748 /nfs/dbraw/zinc/77/47/48/639774748.db2.gz WZRTVSJZRYPQJD-LBPRGKRZSA-N -1 1 258.321 2.795 20 30 CFEDMM C[C@H]1CCC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870693027 639775563 /nfs/dbraw/zinc/77/55/63/639775563.db2.gz VULOPHSYUHEAJX-AAEUAGOBSA-N -1 1 258.321 2.795 20 30 CFEDMM N#C[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000079825784 650622282 /nfs/dbraw/zinc/62/22/82/650622282.db2.gz BVQITDNOZNXOED-GFCCVEGCSA-N -1 1 280.327 2.921 20 30 CFEDMM CC(C)(C)n1cc(/C=C/C(=O)c2cccc([O-])c2F)nn1 ZINC000871672750 641394862 /nfs/dbraw/zinc/39/48/62/641394862.db2.gz XKAVHIZCJAWNBE-BQYQJAHWSA-N -1 1 289.310 2.774 20 30 CFEDMM C#CCn1[n-]c(-c2cccc(C(F)(F)F)c2)c(CC)c1=O ZINC000871960765 641532450 /nfs/dbraw/zinc/53/24/50/641532450.db2.gz IBUZEJXVYQQHAX-GFCCVEGCSA-N -1 1 294.276 2.911 20 30 CFEDMM C=CC[C@@H](C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872894743 641958638 /nfs/dbraw/zinc/95/86/38/641958638.db2.gz COMPGUXFFJNLRF-SECBINFHSA-N -1 1 268.744 2.809 20 30 CFEDMM CC(C)c1nsc([N-]C(=O)c2cc(C#N)cs2)n1 ZINC000874695100 642456443 /nfs/dbraw/zinc/45/64/43/642456443.db2.gz JVHXVSLAUSJLMF-UHFFFAOYSA-N -1 1 278.362 2.847 20 30 CFEDMM CC1(C)C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CCS1 ZINC000888801010 644557000 /nfs/dbraw/zinc/55/70/00/644557000.db2.gz UGQWLDGJNRCARB-GFCCVEGCSA-N -1 1 290.388 2.668 20 30 CFEDMM C#CC1([N-]S(=O)(=O)c2sccc2Cl)CCCC1 ZINC000882776179 645451940 /nfs/dbraw/zinc/45/19/40/645451940.db2.gz MJMJPGQKHRNIMJ-UHFFFAOYSA-N -1 1 289.809 2.626 20 30 CFEDMM C=C[C@@](C)(CC)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266514 646940528 /nfs/dbraw/zinc/94/05/28/646940528.db2.gz OSZYBWAIPOSDBW-HNNXBMFYSA-N -1 1 283.318 2.931 20 30 CFEDMM C=CC(C)(C)CC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886271345 646944334 /nfs/dbraw/zinc/94/43/34/646944334.db2.gz FUPHBXNYWBFGCG-UHFFFAOYSA-N -1 1 283.318 2.931 20 30 CFEDMM N#C[C@@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000928211423 648872944 /nfs/dbraw/zinc/87/29/44/648872944.db2.gz HIYCPQUYEOPRHK-NSHDSACASA-N -1 1 296.326 2.627 20 30 CFEDMM C=CCN(CCC#N)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000930541052 649270089 /nfs/dbraw/zinc/27/00/89/649270089.db2.gz JNTJSHPISGDZGI-ZDUSSCGKSA-N -1 1 272.348 2.613 20 30 CFEDMM C#C[C@](C)(CC)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932056475 649529665 /nfs/dbraw/zinc/52/96/65/649529665.db2.gz FFNPUNDIQGLIJJ-MRXNPFEDSA-N -1 1 298.346 2.501 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NCCCc2ccccc2)n1 ZINC000254484528 651090200 /nfs/dbraw/zinc/09/02/00/651090200.db2.gz DUEVNRVNYLKDSP-UHFFFAOYSA-N -1 1 256.309 2.521 20 30 CFEDMM N#Cc1nc2[nH]ccc2cc1-c1cccc([O-])c1F ZINC001243547887 782270799 /nfs/dbraw/zinc/27/07/99/782270799.db2.gz VTWKROLGSVHNBS-UHFFFAOYSA-N -1 1 253.236 2.898 20 30 CFEDMM N#Cc1cc2c(nc1-c1cccc([O-])c1F)CCOC2 ZINC001243547294 782271192 /nfs/dbraw/zinc/27/11/92/782271192.db2.gz VXDSXQADBPZJNO-UHFFFAOYSA-N -1 1 270.263 2.538 20 30 CFEDMM CCc1nc(C#N)cc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235903827 778602957 /nfs/dbraw/zinc/60/29/57/778602957.db2.gz IIUAQCHKTAZLLV-UHFFFAOYSA-N -1 1 259.696 2.937 20 30 CFEDMM C=CC[C@@H](OCCCC[P@](=O)([O-])O)C(C)C ZINC001225019077 775336186 /nfs/dbraw/zinc/33/61/86/775336186.db2.gz QPNAXSYBCQWFIJ-LLVKDONJSA-N -1 1 250.275 2.562 20 30 CFEDMM CC#CC[C@@H](CC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225674871 775552573 /nfs/dbraw/zinc/55/25/73/775552573.db2.gz MWOOTWBYJXESQB-GFCCVEGCSA-N -1 1 262.305 2.871 20 30 CFEDMM [O-]/N=C/c1cccc(OC[C@H]2COc3ccccc3O2)c1 ZINC001226114453 775703532 /nfs/dbraw/zinc/70/35/32/775703532.db2.gz JVECTNMLCCRGDZ-VEJKBTLKSA-N -1 1 285.299 2.714 20 30 CFEDMM [O-]/N=C/c1cccc(O[C@H]2CCc3cccnc32)c1 ZINC001226114420 775704220 /nfs/dbraw/zinc/70/42/20/775704220.db2.gz JHZWEHPQRDTXAF-FBJMNJBLSA-N -1 1 254.289 2.956 20 30 CFEDMM C#C[C@@H](Oc1[n-]c(=S)ncc1OC)c1ccccc1 ZINC001226242321 775750490 /nfs/dbraw/zinc/75/04/90/775750490.db2.gz LMOALSDDKNAJAT-LLVKDONJSA-N -1 1 272.329 2.527 20 30 CFEDMM C#C[C@H](CC)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226486456 775843536 /nfs/dbraw/zinc/84/35/36/775843536.db2.gz QAPNYCKMVBCEKC-LLVKDONJSA-N -1 1 258.273 2.598 20 30 CFEDMM C=CC[C@@H](C=C)Oc1cc([O-])ccc1C(=O)COC ZINC001227172048 776123308 /nfs/dbraw/zinc/12/33/08/776123308.db2.gz JZGBFWFMBUWTAJ-GFCCVEGCSA-N -1 1 262.305 2.731 20 30 CFEDMM C=C[C@H](CCCCCC)Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227430086 776202590 /nfs/dbraw/zinc/20/25/90/776202590.db2.gz HUCBFPVKQNEVBY-SECBINFHSA-N -1 1 292.339 2.668 20 30 CFEDMM C[C@@H](COC(C)(C)C)Oc1ccc([O-])c(C#N)c1C#N ZINC001227614805 776243873 /nfs/dbraw/zinc/24/38/73/776243873.db2.gz KYAUTELUGGYLQO-JTQLQIEISA-N -1 1 274.320 2.718 20 30 CFEDMM CCCCOC[C@@H](C)Oc1ccc([O-])c(C#N)c1C#N ZINC001227617204 776245734 /nfs/dbraw/zinc/24/57/34/776245734.db2.gz AVRNYAQYNJDHNA-LLVKDONJSA-N -1 1 274.320 2.720 20 30 CFEDMM COc1ccc([C@H](C)Oc2ccc([O-])c(C#N)c2C#N)cn1 ZINC001227617924 776247150 /nfs/dbraw/zinc/24/71/50/776247150.db2.gz JFJXFMBQRYUDQG-JTQLQIEISA-N -1 1 295.298 2.679 20 30 CFEDMM N#Cc1ccc([O-])cc1OC[C@H]1CC[C@@]2(CCCCO2)O1 ZINC001228008472 776362052 /nfs/dbraw/zinc/36/20/52/776362052.db2.gz XXWJTYQMESWOFT-GDBMZVCRSA-N -1 1 289.331 2.718 20 30 CFEDMM C#C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])[C@H](CC)CCCC ZINC001228142692 776408017 /nfs/dbraw/zinc/40/80/17/776408017.db2.gz GRPYIWDDZSCYAJ-MNOVXSKESA-N -1 1 293.323 2.687 20 30 CFEDMM C=C[C@@H](CCCCC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228142842 776408723 /nfs/dbraw/zinc/40/87/23/776408723.db2.gz HQAOQZBKRPCEIP-VIFPVBQESA-N -1 1 267.285 2.604 20 30 CFEDMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)[C@H](C)S ZINC001228557127 776520569 /nfs/dbraw/zinc/52/05/69/776520569.db2.gz VDIXOMPMLDKFHA-SFYZADRCSA-N -1 1 270.350 2.776 20 30 CFEDMM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1cnnc(=S)[n-]1 ZINC001228635582 776547902 /nfs/dbraw/zinc/54/79/02/776547902.db2.gz BUDFRQWXILRHCJ-DCAQKATOSA-N -1 1 265.382 2.920 20 30 CFEDMM CCC#C[C@@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229136226 776729024 /nfs/dbraw/zinc/72/90/24/776729024.db2.gz USDIMNOTZIEJGK-SNVBAGLBSA-N -1 1 258.273 2.679 20 30 CFEDMM CCO[C@H](C)CO/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223594527 776738123 /nfs/dbraw/zinc/73/81/23/776738123.db2.gz XQLCGXVQQNJDFD-USPJWIJHSA-N -1 1 257.717 2.917 20 30 CFEDMM C=CCC(CC=C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231258639 777179251 /nfs/dbraw/zinc/17/92/51/777179251.db2.gz BJQJNASASTYYII-UHFFFAOYSA-N -1 1 264.281 2.903 20 30 CFEDMM N#Cc1ccc([O-])c(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001232673187 777636492 /nfs/dbraw/zinc/63/64/92/777636492.db2.gz BUFGKMLTCSTNLS-HUUCEWRRSA-N -1 1 284.359 2.597 20 30 CFEDMM N#Cc1ccc([O-])c(CN2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001232673139 777636545 /nfs/dbraw/zinc/63/65/45/777636545.db2.gz ASUZHXRPACVDOK-ZDUSSCGKSA-N -1 1 284.281 2.833 20 30 CFEDMM N#CCC1CCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232970564 777746728 /nfs/dbraw/zinc/74/67/28/777746728.db2.gz GPELNLWWJXIQCN-UHFFFAOYSA-N -1 1 266.291 2.796 20 30 CFEDMM N#Cc1ccc2c(c1)CN(Cc1cc(Cl)ncc1[O-])CC2 ZINC001233032263 777769520 /nfs/dbraw/zinc/76/95/20/777769520.db2.gz HTALTXHOMOLPKN-UHFFFAOYSA-N -1 1 299.761 2.871 20 30 CFEDMM N#CC[C@H]1CCCN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233034337 777773344 /nfs/dbraw/zinc/77/33/44/777773344.db2.gz JNKBTOVEFQASRT-SNVBAGLBSA-N -1 1 265.744 2.566 20 30 CFEDMM C#C[C@H](CC(C)C)Oc1cc([O-])ccc1C(=O)COC ZINC001227172983 777777917 /nfs/dbraw/zinc/77/79/17/777777917.db2.gz STQMKWZTEMVYQB-CYBMUJFWSA-N -1 1 276.332 2.648 20 30 CFEDMM C[C@H](Cc1ccco1)Oc1ccc([O-])c(C#N)c1C#N ZINC001227623597 777860201 /nfs/dbraw/zinc/86/02/01/777860201.db2.gz SYBBPXVEARKENW-SNVBAGLBSA-N -1 1 268.272 2.739 20 30 CFEDMM N#Cc1ccc(CN2CCOC[C@@H]2c2ccccc2)c([O-])c1 ZINC001233383406 777927680 /nfs/dbraw/zinc/92/76/80/777927680.db2.gz GMQPIMSKEIORMT-QGZVFWFLSA-N -1 1 294.354 2.837 20 30 CFEDMM C=C[C@@H](CCCCC)Oc1c(C(=O)OC)nc(C)[n-]c1=O ZINC001234558838 778252677 /nfs/dbraw/zinc/25/26/77/778252677.db2.gz YURLXRBMKCNUMO-NSHDSACASA-N -1 1 294.351 2.791 20 30 CFEDMM C#C[C@@H](C)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234743415 778294650 /nfs/dbraw/zinc/29/46/50/778294650.db2.gz CXRWVGXIBIIKJQ-SECBINFHSA-N -1 1 296.278 2.758 20 30 CFEDMM CCOC(=O)[C@@H]1CC[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234817822 778301570 /nfs/dbraw/zinc/30/15/70/778301570.db2.gz ABSHUVVCBZHEDY-YPMHNXCESA-N -1 1 277.320 2.605 20 30 CFEDMM [O-]N=Cc1ccccc1OC[C@@H]1CC[C@]2(CCCCO2)O1 ZINC001234820844 778303816 /nfs/dbraw/zinc/30/38/16/778303816.db2.gz ZBAAKSONNCEDMN-HOCLYGCPSA-N -1 1 291.347 2.949 20 30 CFEDMM N#Cc1c[nH]c2nc(-c3cc([O-])cc(Cl)c3)ncc12 ZINC001235898267 778598246 /nfs/dbraw/zinc/59/82/46/778598246.db2.gz FBPGXEVBADYQMR-UHFFFAOYSA-N -1 1 270.679 2.856 20 30 CFEDMM Cc1cc(Br)c([O-])c(CN(C)[C@@H](C)C#N)c1 ZINC001236668437 778902849 /nfs/dbraw/zinc/90/28/49/778902849.db2.gz BBFDFOXJTRHAQH-VIFPVBQESA-N -1 1 283.169 2.807 20 30 CFEDMM C[C@]1(C#N)CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941521 779213367 /nfs/dbraw/zinc/21/33/67/779213367.db2.gz YCWITJPGUJSWIX-CYBMUJFWSA-N -1 1 268.719 2.920 20 30 CFEDMM CC1=C(Oc2c([O-])cc(Cl)cc2F)C(=O)[C@H](C)O1 ZINC001234448549 779229719 /nfs/dbraw/zinc/22/97/19/779229719.db2.gz UOUQPRUQAWAYAJ-YFKPBYRVSA-N -1 1 272.659 2.783 20 30 CFEDMM C#C[C@@H](CCCC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234475284 779234032 /nfs/dbraw/zinc/23/40/32/779234032.db2.gz FNBFELLBKWGWII-NSHDSACASA-N -1 1 262.305 2.871 20 30 CFEDMM COC[C@H](C)OC[C@@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229737578 780462432 /nfs/dbraw/zinc/46/24/32/780462432.db2.gz BNWFYAARJHLTNP-XUMKSBJFSA-N -1 1 281.352 2.704 20 30 CFEDMM N#CCOc1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241291819 780761612 /nfs/dbraw/zinc/76/16/12/780761612.db2.gz YHPRZCDFACKUSH-UHFFFAOYSA-N -1 1 262.215 2.635 20 30 CFEDMM COc1nc2ccccc2nc1-c1ccc([O-])c(C#N)c1 ZINC001242561740 781599734 /nfs/dbraw/zinc/59/97/34/781599734.db2.gz BLVGDSWAIOZPHU-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM N#Cc1cc(-c2ccnc(C(F)(F)F)n2)ccc1[O-] ZINC001242562155 781600281 /nfs/dbraw/zinc/60/02/81/781600281.db2.gz ITTORDLWLBOIMU-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM COc1nnc(-c2ccc([O-])c(C#N)c2)c2ccccc21 ZINC001242563063 781601704 /nfs/dbraw/zinc/60/17/04/781601704.db2.gz AKINMGQUPGCJKR-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM N#Cc1cc(-c2nccc3ncsc32)ccc1[O-] ZINC001242563105 781601889 /nfs/dbraw/zinc/60/18/89/781601889.db2.gz AYGPWFAYBUPNCO-UHFFFAOYSA-N -1 1 253.286 2.936 20 30 CFEDMM Cc1noc(-c2ccc(-c3ccc([O-])c(C#N)c3)nc2)n1 ZINC001242563616 781602605 /nfs/dbraw/zinc/60/26/05/781602605.db2.gz UAAYSNADYMJDNT-UHFFFAOYSA-N -1 1 278.271 2.684 20 30 CFEDMM Cc1ccc(S(C)(=O)=O)cc1-c1ccc([O-])c(C#N)c1 ZINC001242565061 781603758 /nfs/dbraw/zinc/60/37/58/781603758.db2.gz JMBBITRSNBCRHJ-UHFFFAOYSA-N -1 1 287.340 2.643 20 30 CFEDMM COc1ccc2nccc(-c3ccc([O-])c(C#N)c3)c2n1 ZINC001242564460 781604063 /nfs/dbraw/zinc/60/40/63/781604063.db2.gz BDCNYIPRGHIWEW-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM CC1(C)Cc2cc(-c3ccc([O-])c(C#N)c3)ccc2C(=O)N1 ZINC001242565739 781604997 /nfs/dbraw/zinc/60/49/97/781604997.db2.gz BISPPVJOTUHSPT-UHFFFAOYSA-N -1 1 292.338 2.995 20 30 CFEDMM CCOC(=O)c1cc(-c2ccc([O-])c(C#N)c2)ccn1 ZINC001242565229 781605085 /nfs/dbraw/zinc/60/50/85/781605085.db2.gz RUFJUZMEAIAMSS-UHFFFAOYSA-N -1 1 268.272 2.503 20 30 CFEDMM CC1(C)Cc2cccc(-c3ccc([O-])c(C#N)c3)c2C(=O)N1 ZINC001242566231 781606734 /nfs/dbraw/zinc/60/67/34/781606734.db2.gz OMNPGCXXKOJYHC-UHFFFAOYSA-N -1 1 292.338 2.995 20 30 CFEDMM N#CCC1(CSc2nc(C3CC3)cc(=O)[n-]2)CC1 ZINC000594893997 349497029 /nfs/dbraw/zinc/49/70/29/349497029.db2.gz AAGDWRAVGMWZLY-UHFFFAOYSA-N -1 1 261.350 2.846 20 30 CFEDMM CCCCO[C@@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000068541626 346858756 /nfs/dbraw/zinc/85/87/56/346858756.db2.gz WSHHWYYXZQXVRZ-LURJTMIESA-N -1 1 280.250 2.617 20 30 CFEDMM C[C@]1(CN=c2[n-]c(C#N)c(Cl)s2)CCO[C@@H]1C1CC1 ZINC000596194407 349823846 /nfs/dbraw/zinc/82/38/46/349823846.db2.gz KORCJJJHYNWFKD-ZWNOBZJWSA-N -1 1 297.811 2.707 20 30 CFEDMM CCN(C[C@@H](C)C#N)C(=O)c1ncc2ccccc2c1[O-] ZINC000596825828 349993807 /nfs/dbraw/zinc/99/38/07/349993807.db2.gz GQYRZTLBGCWKED-NSHDSACASA-N -1 1 283.331 2.562 20 30 CFEDMM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589168171 348814885 /nfs/dbraw/zinc/81/48/85/348814885.db2.gz WDXUODVBBHQPDH-IUODEOHRSA-N -1 1 272.348 2.962 20 30 CFEDMM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589168173 348814988 /nfs/dbraw/zinc/81/49/88/348814988.db2.gz WDXUODVBBHQPDH-WFASDCNBSA-N -1 1 272.348 2.962 20 30 CFEDMM C[C@@H](N(C)C(=O)c1cc([O-])cc(C#N)c1)C(C)(C)C ZINC000589168294 348815144 /nfs/dbraw/zinc/81/51/44/348815144.db2.gz BSLVTJFBVFFKKA-SNVBAGLBSA-N -1 1 260.337 2.770 20 30 CFEDMM C[C@@H]1CCC[C@@H](CNC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589170135 348815462 /nfs/dbraw/zinc/81/54/62/348815462.db2.gz JPSOTCIWXVCRCH-VXGBXAGGSA-N -1 1 272.348 2.820 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCc3ccccc32)c1 ZINC000589180278 348815903 /nfs/dbraw/zinc/81/59/03/348815903.db2.gz NCVUWCLLCIAOOY-AWEZNQCLSA-N -1 1 292.338 2.724 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCc3sccc3C2)c1 ZINC000589183813 348817138 /nfs/dbraw/zinc/81/71/38/348817138.db2.gz ISDVEWNHHWERBD-UHFFFAOYSA-N -1 1 298.367 2.914 20 30 CFEDMM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)CC2 ZINC000589182868 348817415 /nfs/dbraw/zinc/81/74/15/348817415.db2.gz AJBHKSOIWWRXBB-KRWDZBQOSA-N -1 1 292.338 2.990 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCc2nc(C3CC3)cs2)c1 ZINC000589190136 348817904 /nfs/dbraw/zinc/81/79/04/348817904.db2.gz PLXBKJVAWKMDHX-UHFFFAOYSA-N -1 1 299.355 2.528 20 30 CFEDMM CC1(C)CCCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589189415 348818093 /nfs/dbraw/zinc/81/80/93/348818093.db2.gz WCMVMMPGHQZFNK-CQSZACIVSA-N -1 1 272.348 2.962 20 30 CFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000589199902 348818723 /nfs/dbraw/zinc/81/87/23/348818723.db2.gz SLTATUKIQBWWSL-LYRGGWFBSA-N -1 1 284.359 2.915 20 30 CFEDMM COc1ccc(F)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589196728 348819033 /nfs/dbraw/zinc/81/90/33/348819033.db2.gz FPNMJOOZEWQGGE-UHFFFAOYSA-N -1 1 286.262 2.664 20 30 CFEDMM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1sccc1Cl ZINC000590739759 348940072 /nfs/dbraw/zinc/94/00/72/348940072.db2.gz RHNVJURWKXCRFC-QMMMGPOBSA-N -1 1 292.813 2.618 20 30 CFEDMM CC(C)[C@@H]1N(C(=O)c2cc([O-])cc(C#N)c2)CC12CCC2 ZINC000590408915 348898904 /nfs/dbraw/zinc/89/89/04/348898904.db2.gz ARHFKONYHQJJCX-HNNXBMFYSA-N -1 1 284.359 2.915 20 30 CFEDMM C[C@]12CN(C(=O)c3cc([O-])cc(C#N)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000590888280 348962675 /nfs/dbraw/zinc/96/26/75/348962675.db2.gz QKDGKWVDDXDBHX-DPHWQOANSA-N -1 1 296.370 2.772 20 30 CFEDMM N#C[C@H]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000591797792 349044650 /nfs/dbraw/zinc/04/46/50/349044650.db2.gz INIKYXIUIPKFTD-WCBMZHEXSA-N -1 1 298.264 2.833 20 30 CFEDMM CN(CCC(C)(C)C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000592836670 349170357 /nfs/dbraw/zinc/17/03/57/349170357.db2.gz XBPZMLSPBMYYCS-UHFFFAOYSA-N -1 1 260.337 2.772 20 30 CFEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)CC#N)c1 ZINC000597478242 350101882 /nfs/dbraw/zinc/10/18/82/350101882.db2.gz RSCQZTULRCGFHC-MRVPVSSYSA-N -1 1 297.152 2.951 20 30 CFEDMM C[C@H](C#N)N(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000598126404 350202315 /nfs/dbraw/zinc/20/23/15/350202315.db2.gz VGWOEHMHCAFUEZ-MRVPVSSYSA-N -1 1 264.712 2.562 20 30 CFEDMM C[C@H](C#N)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000598132085 350205657 /nfs/dbraw/zinc/20/56/57/350205657.db2.gz FJSSZCVBJNNQCK-MRVPVSSYSA-N -1 1 298.264 2.928 20 30 CFEDMM CC(NC(=O)c1ccc(C#N)c([O-])c1)(C1CC1)C1CC1 ZINC000598381653 350253700 /nfs/dbraw/zinc/25/37/00/350253700.db2.gz PXWHSTPBVZRXDB-UHFFFAOYSA-N -1 1 270.332 2.572 20 30 CFEDMM N#CCCCCCC(=O)Nc1cccc(F)c1[O-] ZINC000600444524 350556434 /nfs/dbraw/zinc/55/64/34/350556434.db2.gz HSQACKACYILJOW-UHFFFAOYSA-N -1 1 250.273 2.944 20 30 CFEDMM CCN(C[C@H](C)C#N)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000600999430 350643178 /nfs/dbraw/zinc/64/31/78/350643178.db2.gz BIEAVZJXRIYFFT-SNVBAGLBSA-N -1 1 280.755 2.596 20 30 CFEDMM Cc1nc(SCC2(C#N)CC2)[n-]c(=O)c1C1CC1 ZINC000601087899 350664886 /nfs/dbraw/zinc/66/48/86/350664886.db2.gz KZHDBXWCOKPZGV-UHFFFAOYSA-N -1 1 261.350 2.764 20 30 CFEDMM CC(C)(CC#N)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601631204 350750894 /nfs/dbraw/zinc/75/08/94/350750894.db2.gz FIUZCWKMCBZPBN-UHFFFAOYSA-N -1 1 280.755 2.644 20 30 CFEDMM C[C@H](C#N)CN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000601368084 350726881 /nfs/dbraw/zinc/72/68/81/350726881.db2.gz JWBKYXXJAIMTCE-SNVBAGLBSA-N -1 1 292.766 2.739 20 30 CFEDMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000601804841 350778896 /nfs/dbraw/zinc/77/88/96/350778896.db2.gz MTKJAJRXUXWRIF-AAEUAGOBSA-N -1 1 292.766 2.739 20 30 CFEDMM CC(C)C[C@H](C#N)NC(=O)c1ccc(Cl)cc1[O-] ZINC000611251182 351658279 /nfs/dbraw/zinc/65/82/79/351658279.db2.gz RDONDBZIPKJBID-SNVBAGLBSA-N -1 1 266.728 2.714 20 30 CFEDMM CC(C)(C)CN(CCC#N)C(=O)c1ccc([O-])c(F)c1 ZINC000613504231 351971266 /nfs/dbraw/zinc/97/12/66/351971266.db2.gz MKZWOSRMAOMDSV-UHFFFAOYSA-N -1 1 278.327 2.933 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000614294043 352076457 /nfs/dbraw/zinc/07/64/57/352076457.db2.gz NCZMDWFIZLQDAZ-INIZCTEOSA-N -1 1 293.326 2.636 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000614295267 352076546 /nfs/dbraw/zinc/07/65/46/352076546.db2.gz AKFRRSIVOSSILD-UHFFFAOYSA-N -1 1 277.283 2.997 20 30 CFEDMM C[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293047 352076600 /nfs/dbraw/zinc/07/66/00/352076600.db2.gz PXRNFUKYMTZPBA-QMTHXVAHSA-N -1 1 258.321 2.572 20 30 CFEDMM CCOc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614297020 352077056 /nfs/dbraw/zinc/07/70/56/352077056.db2.gz JTXRMZXZWZZXJL-UHFFFAOYSA-N -1 1 282.299 2.915 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(Cl)ccn2)c1 ZINC000614298661 352077276 /nfs/dbraw/zinc/07/72/76/352077276.db2.gz XHPOKWLQTXZOLP-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM C[C@H](C1CC1)N(C(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000614365824 352085369 /nfs/dbraw/zinc/08/53/69/352085369.db2.gz ODTYBPSHQPIIMX-SNVBAGLBSA-N -1 1 270.332 2.667 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3cccc(F)c3)CC2)c1 ZINC000614370070 352086067 /nfs/dbraw/zinc/08/60/67/352086067.db2.gz NPXXYJMTHVTYDR-UHFFFAOYSA-N -1 1 296.301 2.822 20 30 CFEDMM C[C@@H](N(C)C(=O)c1cc([O-])cc(C#N)c1)C1(C)CC1 ZINC000614372186 352086345 /nfs/dbraw/zinc/08/63/45/352086345.db2.gz FQEYYKBVVWZKBA-SNVBAGLBSA-N -1 1 258.321 2.524 20 30 CFEDMM COc1ccc(C)cc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000615423327 352192413 /nfs/dbraw/zinc/19/24/13/352192413.db2.gz XTMAVSAZTVZMMB-UHFFFAOYSA-N -1 1 296.326 2.511 20 30 CFEDMM CC(C)(CC(F)(F)F)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000615435028 352192439 /nfs/dbraw/zinc/19/24/39/352192439.db2.gz ISDXSDBIFXQRRK-UHFFFAOYSA-N -1 1 286.253 2.725 20 30 CFEDMM CCN(CCC(F)(F)F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000615431355 352192514 /nfs/dbraw/zinc/19/25/14/352192514.db2.gz OCNWPFDUKKXRSU-UHFFFAOYSA-N -1 1 286.253 2.678 20 30 CFEDMM N#C[C@@]1(F)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000615665361 352226480 /nfs/dbraw/zinc/22/64/80/352226480.db2.gz ZKBGPXBOVIFYKC-INIZCTEOSA-N -1 1 284.290 2.623 20 30 CFEDMM CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1c(C)noc1C ZINC000616035185 352276491 /nfs/dbraw/zinc/27/64/91/352276491.db2.gz UEZAHVXYRUSTEM-CQSZACIVSA-N -1 1 299.330 2.750 20 30 CFEDMM C=CCCNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000617612871 352603456 /nfs/dbraw/zinc/60/34/56/352603456.db2.gz VOMZGFLOUGUMBR-UHFFFAOYSA-N -1 1 269.728 2.750 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(Cl)s2)c1 ZINC000618926625 352913661 /nfs/dbraw/zinc/91/36/61/352913661.db2.gz CFARRVUFDYBZAK-UHFFFAOYSA-N -1 1 292.747 2.909 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N(CC2CC2)C2CCC2)c1 ZINC000619458748 353026246 /nfs/dbraw/zinc/02/62/46/353026246.db2.gz KFMYCRLKELSLRS-UHFFFAOYSA-N -1 1 270.332 2.669 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N(CC2CC2)CC2CCC2)c1 ZINC000619458698 353026444 /nfs/dbraw/zinc/02/64/44/353026444.db2.gz BNVVELGVWRSFRF-UHFFFAOYSA-N -1 1 284.359 2.916 20 30 CFEDMM N#CC1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCCC1 ZINC000619582305 353038005 /nfs/dbraw/zinc/03/80/05/353038005.db2.gz LWZBYWAWXYTJPT-UHFFFAOYSA-N -1 1 298.264 2.977 20 30 CFEDMM C=CCCC(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023575 355252523 /nfs/dbraw/zinc/25/25/23/355252523.db2.gz ASIVDETZSKEFBE-UHFFFAOYSA-N -1 1 278.377 2.995 20 30 CFEDMM C=CCN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@@H](C)COC ZINC000633611760 355947081 /nfs/dbraw/zinc/94/70/81/355947081.db2.gz FKDNVJSDPGIZCV-NSHDSACASA-N -1 1 297.782 2.638 20 30 CFEDMM Cc1ccc(CC[C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000443326069 241052978 /nfs/dbraw/zinc/05/29/78/241052978.db2.gz ZUOGNFNKORJXNJ-NSHDSACASA-N -1 1 298.342 2.916 20 30 CFEDMM C=CCCN(C)C(=O)c1ccc(Br)cc1[O-] ZINC000276138459 193223331 /nfs/dbraw/zinc/22/33/31/193223331.db2.gz DSTWYZHKLZXHJJ-UHFFFAOYSA-N -1 1 284.153 2.803 20 30 CFEDMM CC[C@@H](C#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000040350781 372782131 /nfs/dbraw/zinc/78/21/31/372782131.db2.gz SEPDLBHKXIIWMX-NSHDSACASA-N -1 1 254.289 2.577 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc(C#N)cc2)n1 ZINC000041520116 372846172 /nfs/dbraw/zinc/84/61/72/372846172.db2.gz XIGXAUSQDBMGEF-LBPRGKRZSA-N -1 1 267.313 2.813 20 30 CFEDMM CCCN(CC#N)C(=O)c1ccc(Br)cc1[O-] ZINC000045092366 373014840 /nfs/dbraw/zinc/01/48/40/373014840.db2.gz FNOBTPVJFUYIBK-UHFFFAOYSA-N -1 1 297.152 2.530 20 30 CFEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1ccco1 ZINC000049398943 373293465 /nfs/dbraw/zinc/29/34/65/373293465.db2.gz IPKXDDJCIUELRU-PHDIDXHHSA-N -1 1 286.213 2.808 20 30 CFEDMM Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c([O-])c1 ZINC000051637552 373403024 /nfs/dbraw/zinc/40/30/24/373403024.db2.gz ZCJBWSLWRRBMKD-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000070431863 374173260 /nfs/dbraw/zinc/17/32/60/374173260.db2.gz NQNAPTWOEYLADN-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000115710471 376148559 /nfs/dbraw/zinc/14/85/59/376148559.db2.gz CTXCFLRXAMMSTL-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM N#CC1(NC(=O)c2cc3ccccc3cc2[O-])CCC1 ZINC000128206650 377324480 /nfs/dbraw/zinc/32/44/80/377324480.db2.gz WFAYXYMHTIBSPX-UHFFFAOYSA-N -1 1 266.300 2.721 20 30 CFEDMM O=C(NCC1CCCC1)c1csc(=NC2CC2)[n-]1 ZINC000329348515 378455893 /nfs/dbraw/zinc/45/58/93/378455893.db2.gz DOURTVYRYXCDAU-UHFFFAOYSA-N -1 1 265.382 2.634 20 30 CFEDMM O=C([N-]c1nncs1)c1coc(C2CCCC2)n1 ZINC000328802764 378427546 /nfs/dbraw/zinc/42/75/46/378427546.db2.gz MMTSFDLYDDUQIZ-UHFFFAOYSA-N -1 1 264.310 2.820 20 30 CFEDMM COC(C)(C)C[C@@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC000330482175 378567932 /nfs/dbraw/zinc/56/79/32/378567932.db2.gz WNTCXZOIIMHVTB-SNVBAGLBSA-N -1 1 266.341 2.604 20 30 CFEDMM Cc1ccc(C#N)cc1NC(=O)c1ccc([O-])cc1F ZINC000162780911 378933762 /nfs/dbraw/zinc/93/37/62/378933762.db2.gz GVGDUQMFMLFVRM-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000432306870 383734780 /nfs/dbraw/zinc/73/47/80/383734780.db2.gz NXDXWVQCQRWRCP-UHFFFAOYSA-N -1 1 289.347 2.845 20 30 CFEDMM C[C@H]1CC[C@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000335524931 379452130 /nfs/dbraw/zinc/45/21/30/379452130.db2.gz WEDZZYRPSLCVPS-GWCFXTLKSA-N -1 1 258.321 2.524 20 30 CFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1CCC(F)(F)CC1 ZINC000335986064 380199188 /nfs/dbraw/zinc/19/91/88/380199188.db2.gz HSMFPQQLVWFFMA-UHFFFAOYSA-N -1 1 294.301 2.914 20 30 CFEDMM N#CCC[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000178854262 380489299 /nfs/dbraw/zinc/48/92/99/380489299.db2.gz MMSAELYWHOHGSN-HNNXBMFYSA-N -1 1 281.315 2.562 20 30 CFEDMM C=CCN(CCc1ccccc1)C(=O)c1ncc(C)cc1[O-] ZINC000358595301 380957680 /nfs/dbraw/zinc/95/76/80/380957680.db2.gz LWGXVQAMUZBIKQ-UHFFFAOYSA-N -1 1 296.370 2.967 20 30 CFEDMM COc1ccc(C#N)cc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295913353 381153934 /nfs/dbraw/zinc/15/39/34/381153934.db2.gz JBLAZGXRSZTLLF-UHFFFAOYSA-N -1 1 292.360 2.766 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)ncn3C)n1 ZINC000355149178 381644688 /nfs/dbraw/zinc/64/46/88/381644688.db2.gz PFNSUKRVTIWJJL-NSHDSACASA-N -1 1 296.355 2.828 20 30 CFEDMM Cn1cc(C([O-])=C(C#N)c2ccncn2)c2cc(F)ccc21 ZINC000361792638 381863264 /nfs/dbraw/zinc/86/32/64/381863264.db2.gz OQLVBPVQTOYSGL-GFCCVEGCSA-N -1 1 294.289 2.597 20 30 CFEDMM C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000351093182 382026216 /nfs/dbraw/zinc/02/62/16/382026216.db2.gz JOZSUCYOPGJQKJ-PWSUYJOCSA-N -1 1 276.267 2.640 20 30 CFEDMM C=CCC[C@H](C(=O)[N-]OC[C@@H]1CCOC1)c1ccccc1 ZINC000187872565 382285190 /nfs/dbraw/zinc/28/51/90/382285190.db2.gz WYRPDMULODJVMH-ZBFHGGJFSA-N -1 1 289.375 2.821 20 30 CFEDMM Cc1cccc(CCNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000187804268 382272699 /nfs/dbraw/zinc/27/26/99/382272699.db2.gz YBHLMTBYAOINDF-UHFFFAOYSA-N -1 1 280.327 2.545 20 30 CFEDMM CC1(C)CCCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188731184 382466367 /nfs/dbraw/zinc/46/63/67/382466367.db2.gz NIFNHPBSDOLLGT-CQSZACIVSA-N -1 1 272.348 2.962 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2CC23CCCCC3)cc1[O-] ZINC000189089311 382539654 /nfs/dbraw/zinc/53/96/54/382539654.db2.gz VXNNPQYIRUGKSR-AWEZNQCLSA-N -1 1 270.332 2.716 20 30 CFEDMM Cc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccc1F ZINC000189981252 382648261 /nfs/dbraw/zinc/64/82/61/382648261.db2.gz RWNATXARIHPING-UHFFFAOYSA-N -1 1 284.290 2.641 20 30 CFEDMM Cc1ccc(C#N)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000224062615 382809135 /nfs/dbraw/zinc/80/91/35/382809135.db2.gz UIKJYANJOMXHFQ-UHFFFAOYSA-N -1 1 268.272 2.530 20 30 CFEDMM C[C@H](CC(C)(C)C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000457201568 382988516 /nfs/dbraw/zinc/98/85/16/382988516.db2.gz YMZNOLSLXORVOF-SNVBAGLBSA-N -1 1 260.337 2.818 20 30 CFEDMM C=C(C)Cn1[n-]c2c(c1=O)CCCc1ccccc1-2 ZINC000634603474 383265385 /nfs/dbraw/zinc/26/53/85/383265385.db2.gz AFHWIRLUFHZERG-CQSZACIVSA-N -1 1 254.333 2.762 20 30 CFEDMM C=C(CC)C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425184898 383338208 /nfs/dbraw/zinc/33/82/08/383338208.db2.gz JZCMGBXNQBMDDL-UHFFFAOYSA-N -1 1 275.320 2.518 20 30 CFEDMM C[C@H](Cc1ccsc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000527190309 383460785 /nfs/dbraw/zinc/46/07/85/383460785.db2.gz XQFBSBACDBMOHX-SNVBAGLBSA-N -1 1 286.356 2.686 20 30 CFEDMM Cc1cccnc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000429353626 383523402 /nfs/dbraw/zinc/52/34/02/383523402.db2.gz AEDNMYSYMMBRFT-GFCCVEGCSA-N -1 1 290.326 2.767 20 30 CFEDMM N#CC(=C([O-])c1cnc2c(F)cccc2c1)c1ccncn1 ZINC000429510362 383537738 /nfs/dbraw/zinc/53/77/38/383537738.db2.gz SGXZFCBMDTUSSN-LBPRGKRZSA-N -1 1 292.273 2.654 20 30 CFEDMM Cc1cc(F)ccc1CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000489399691 383615339 /nfs/dbraw/zinc/61/53/39/383615339.db2.gz HNOTXBWXAHSVAV-UHFFFAOYSA-N -1 1 298.317 2.984 20 30 CFEDMM N#C[C@@]1(C(=O)Nc2cccc(F)c2[O-])CC12CCCC2 ZINC000530004247 383763369 /nfs/dbraw/zinc/76/33/69/383763369.db2.gz IILZQMIPVVZMRU-OAHLLOKOSA-N -1 1 274.295 2.944 20 30 CFEDMM N#CCC1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000437005714 383899406 /nfs/dbraw/zinc/89/94/06/383899406.db2.gz WXNWFTHBSMBDRJ-UHFFFAOYSA-N -1 1 298.264 2.835 20 30 CFEDMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C#N)ccc1OC ZINC000573496164 383938628 /nfs/dbraw/zinc/93/86/28/383938628.db2.gz QRESJCPOBPLYSJ-LBPRGKRZSA-N -1 1 296.392 2.887 20 30 CFEDMM C#CCC1(C(=O)[N-]OCc2cccnc2)CCCCC1 ZINC000276731868 386028673 /nfs/dbraw/zinc/02/86/73/386028673.db2.gz XYBYHXYCYYFEFP-UHFFFAOYSA-N -1 1 272.348 2.603 20 30 CFEDMM CC(C)CC[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190037473 393577847 /nfs/dbraw/zinc/57/78/47/393577847.db2.gz WJDNOLWSMOXCRX-NSHDSACASA-N -1 1 260.337 2.818 20 30 CFEDMM C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C[C@H](C)C1 ZINC000189006784 393569043 /nfs/dbraw/zinc/56/90/43/393569043.db2.gz YBHJVOSJKOSOHG-NWDGAFQWSA-N -1 1 272.348 2.772 20 30 CFEDMM CCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C1CCCC1 ZINC000416565963 393930166 /nfs/dbraw/zinc/93/01/66/393930166.db2.gz FWDUFTPULMQNOD-CYBMUJFWSA-N -1 1 296.392 2.788 20 30 CFEDMM Cc1nc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1C#N ZINC000436792295 394022399 /nfs/dbraw/zinc/02/23/99/394022399.db2.gz NCSAGKNEHUEXCV-UHFFFAOYSA-N -1 1 287.706 2.873 20 30 CFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000007053129 170264678 /nfs/dbraw/zinc/26/46/78/170264678.db2.gz CEEXHZGWIHSNIA-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000334650628 225255136 /nfs/dbraw/zinc/25/51/36/225255136.db2.gz GBCVVOYTZRTSMF-MADCSZMMSA-N -1 1 250.685 2.534 20 30 CFEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000063094679 260238283 /nfs/dbraw/zinc/23/82/83/260238283.db2.gz ARXYZVJEDKHIIV-QMMMGPOBSA-N -1 1 297.152 2.529 20 30 CFEDMM CCC(CC)CN(CCC#N)C(=O)c1cncc([O-])c1 ZINC000151935405 261057293 /nfs/dbraw/zinc/05/72/93/261057293.db2.gz MWPGZJCVSCIONH-UHFFFAOYSA-N -1 1 275.352 2.579 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCc3occc32)cc1[O-] ZINC000188264481 262287561 /nfs/dbraw/zinc/28/75/61/262287561.db2.gz WGUYMKORSBTYRJ-CYBMUJFWSA-N -1 1 282.299 2.664 20 30 CFEDMM CC[C@](C)(C#N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289094858 263107567 /nfs/dbraw/zinc/10/75/67/263107567.db2.gz OCMJIMSMYMYQCG-CYBMUJFWSA-N -1 1 261.256 2.773 20 30 CFEDMM CCc1cc(=O)[n-]c(S[C@H](C#N)C2CCCCC2)n1 ZINC000188112911 263661910 /nfs/dbraw/zinc/66/19/10/263661910.db2.gz ZTUSSRCBBZREMB-GFCCVEGCSA-N -1 1 277.393 2.897 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC000416965032 263772823 /nfs/dbraw/zinc/77/28/23/263772823.db2.gz UGCCRDMIPFZETD-ZDUSSCGKSA-N -1 1 282.365 2.518 20 30 CFEDMM CCCc1cc(=O)[n-]c(SCc2ccc(C#N)cn2)n1 ZINC000514704860 267042400 /nfs/dbraw/zinc/04/24/00/267042400.db2.gz RDLKFKUPPCODFC-UHFFFAOYSA-N -1 1 286.360 2.694 20 30 CFEDMM CC1(C)CCN(C(=O)c2ccc(C#N)c([O-])c2)CCS1 ZINC000336252429 278256654 /nfs/dbraw/zinc/25/66/54/278256654.db2.gz ATDFPOGHPLFDDK-UHFFFAOYSA-N -1 1 290.388 2.622 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1[O-] ZINC000336404569 279511601 /nfs/dbraw/zinc/51/16/01/279511601.db2.gz ATHZKWJXDCRNKZ-OAHLLOKOSA-N -1 1 278.311 2.851 20 30 CFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]2CCCC[C@@H]12 ZINC000248907464 281040341 /nfs/dbraw/zinc/04/03/41/281040341.db2.gz IHCTVOOXNNSELC-UGFHNGPFSA-N -1 1 284.359 2.915 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)cc1[O-] ZINC000565820424 290327310 /nfs/dbraw/zinc/32/73/10/290327310.db2.gz CDFWJZJCWBYHNO-LSDHHAIUSA-N -1 1 284.359 2.820 20 30 CFEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000112334460 327961358 /nfs/dbraw/zinc/96/13/58/327961358.db2.gz AWBPKFSXBLEXJU-UHFFFAOYSA-N -1 1 286.356 2.862 20 30 CFEDMM C[C@H](C#N)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000271137989 328195261 /nfs/dbraw/zinc/19/52/61/328195261.db2.gz SWDHQPFDOILKBF-SECBINFHSA-N -1 1 283.169 2.746 20 30 CFEDMM CCOc1cc(C(=O)N(CC)CCC#N)cc(Cl)c1[O-] ZINC000273968032 328207616 /nfs/dbraw/zinc/20/76/16/328207616.db2.gz QRUHESMYZYDPPN-UHFFFAOYSA-N -1 1 296.754 2.820 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@H](C3CCCC3)C2)cc1[O-] ZINC000573315396 322651707 /nfs/dbraw/zinc/65/17/07/322651707.db2.gz PYJAIQXNBZSUSY-HNNXBMFYSA-N -1 1 284.359 2.916 20 30 CFEDMM CCc1nc(SCc2ccc(C#N)cn2)[n-]c(=O)c1C ZINC000575072613 322717512 /nfs/dbraw/zinc/71/75/12/322717512.db2.gz FUQQZAFMDGXKDD-UHFFFAOYSA-N -1 1 286.360 2.612 20 30 CFEDMM N#Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cn1 ZINC000350838190 324265972 /nfs/dbraw/zinc/26/59/72/324265972.db2.gz JDINMJSEEKTJHZ-UHFFFAOYSA-N -1 1 282.234 2.515 20 30 CFEDMM C=CCCC[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425183315 329624429 /nfs/dbraw/zinc/62/44/29/329624429.db2.gz BNDXSBMHYKMRHQ-UHFFFAOYSA-N -1 1 275.320 2.518 20 30 CFEDMM CCN(C[C@H](C)C#N)C(=O)c1cc(Cl)ccc1[O-] ZINC000044413284 330328055 /nfs/dbraw/zinc/32/80/55/330328055.db2.gz PZAUZVUXMQYKAU-SECBINFHSA-N -1 1 266.728 2.667 20 30 CFEDMM CC(C)(C#N)CCCCN1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000450986579 331010389 /nfs/dbraw/zinc/01/03/89/331010389.db2.gz PZPRANUWSBLPSS-LBPRGKRZSA-N -1 1 291.399 2.757 20 30 CFEDMM C=CCCC[N-]S(=O)(=O)c1sccc1Cl ZINC000451477432 331030963 /nfs/dbraw/zinc/03/09/63/331030963.db2.gz HWVYRXHXXCMTCC-UHFFFAOYSA-N -1 1 265.787 2.646 20 30 CFEDMM C=CCn1cccc1C(=O)Nc1ccc(F)cc1[O-] ZINC000489049466 332039273 /nfs/dbraw/zinc/03/92/73/332039273.db2.gz WAJARPMIXLPIFE-UHFFFAOYSA-N -1 1 260.268 2.771 20 30 CFEDMM Cc1c(Cl)cccc1C([O-])=C(C#N)c1ccncn1 ZINC000490944222 332131511 /nfs/dbraw/zinc/13/15/11/332131511.db2.gz UKKMZHJTVIMVGA-LLVKDONJSA-N -1 1 271.707 2.929 20 30 CFEDMM C#C[C@@H](C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000491633833 332255129 /nfs/dbraw/zinc/25/51/29/332255129.db2.gz QHFLENSUIKIDSU-LLVKDONJSA-N -1 1 253.301 2.639 20 30 CFEDMM C=CCCCNC(=O)c1ccc(Br)cc1[O-] ZINC000303984449 332963947 /nfs/dbraw/zinc/96/39/47/332963947.db2.gz DZQNMAUMEWSMKK-UHFFFAOYSA-N -1 1 284.153 2.851 20 30 CFEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000193355985 335968718 /nfs/dbraw/zinc/96/87/18/335968718.db2.gz VYNDKSYUWPMSRP-UHFFFAOYSA-N -1 1 272.329 2.553 20 30 CFEDMM CC[C@H](CC#N)NC(=O)c1ccc(Br)cc1[O-] ZINC000054177877 522087156 /nfs/dbraw/zinc/08/71/56/522087156.db2.gz WNJRDLXXHJMHAL-SECBINFHSA-N -1 1 297.152 2.577 20 30 CFEDMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336447620 523538527 /nfs/dbraw/zinc/53/85/27/523538527.db2.gz RKSJCICSVZEALJ-ZWNOBZJWSA-N -1 1 258.321 2.524 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1[O-] ZINC000336405193 526601514 /nfs/dbraw/zinc/60/15/14/526601514.db2.gz LMZLITOKHYVYLF-HNNXBMFYSA-N -1 1 278.311 2.681 20 30 CFEDMM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC000050510659 526625622 /nfs/dbraw/zinc/62/56/22/526625622.db2.gz XBLMGRIUUGXYIF-OAHLLOKOSA-N -1 1 284.290 2.613 20 30 CFEDMM CC(C)(C)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000416637108 526661051 /nfs/dbraw/zinc/66/10/51/526661051.db2.gz SYNRNTMEVZNDJW-NEPJUHHUSA-N -1 1 296.392 2.644 20 30 CFEDMM CNC(=S)[N-]c1ccccc1SCCC#N ZINC000730953351 574104553 /nfs/dbraw/zinc/10/45/53/574104553.db2.gz VSIMLMKRDXJGCL-UHFFFAOYSA-N -1 1 251.380 2.609 20 30 CFEDMM CCc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)s1 ZINC000731155667 574111275 /nfs/dbraw/zinc/11/12/75/574111275.db2.gz OLSLELRINNDOJQ-AFNCTOJWSA-N -1 1 290.340 2.539 20 30 CFEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000755444546 574162520 /nfs/dbraw/zinc/16/25/20/574162520.db2.gz WMIGYXQZWFFEHW-GFCCVEGCSA-N -1 1 292.360 2.649 20 30 CFEDMM O=C([O-])c1csc(CN=Nc2ccccc2[N+](=O)[O-])c1 ZINC000755465728 574163783 /nfs/dbraw/zinc/16/37/83/574163783.db2.gz OSUVJBXPRBOSHM-UHFFFAOYSA-N -1 1 291.288 2.801 20 30 CFEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1cncc(F)c1 ZINC000755593709 574170044 /nfs/dbraw/zinc/17/00/44/574170044.db2.gz OMEYEEWQSHFDHP-IWQZZHSRSA-N -1 1 261.227 2.962 20 30 CFEDMM [O-]c1c(F)cccc1C=Nn1cnc2ccccc21 ZINC000755611623 574171555 /nfs/dbraw/zinc/17/15/55/574171555.db2.gz FUVMLXFBIGWHBJ-UHFFFAOYSA-N -1 1 255.252 2.763 20 30 CFEDMM Cc1ccnc(NN=Cc2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000755906612 574196589 /nfs/dbraw/zinc/19/65/89/574196589.db2.gz NUSAEVOHHGFSSM-GFCCVEGCSA-N -1 1 299.330 2.688 20 30 CFEDMM CCCCCCN(C)CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000748410423 574250934 /nfs/dbraw/zinc/25/09/34/574250934.db2.gz KAYDLPBILMZIOJ-UHFFFAOYSA-N -1 1 289.379 2.714 20 30 CFEDMM N#CCOc1cccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1 ZINC000730151710 574255921 /nfs/dbraw/zinc/25/59/21/574255921.db2.gz PWJXDHJJIZZYGL-CXUHLZMHSA-N -1 1 293.278 2.911 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(C)cn1 ZINC000756905782 574271896 /nfs/dbraw/zinc/27/18/96/574271896.db2.gz KEPVGQINNFWOLZ-UHFFFAOYSA-N -1 1 285.303 2.543 20 30 CFEDMM C=C(Br)COC(=O)c1c([O-])cc(F)cc1F ZINC000749281359 574287981 /nfs/dbraw/zinc/28/79/81/574287981.db2.gz XVIRVIBAFRHDAI-UHFFFAOYSA-N -1 1 293.063 2.736 20 30 CFEDMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(C#N)c1 ZINC000749414977 574294716 /nfs/dbraw/zinc/29/47/16/574294716.db2.gz YJLOCUQYTAASBL-ZETCQYMHSA-N -1 1 274.217 2.636 20 30 CFEDMM CC(=O)c1cc(Cl)cc(CN(CC#N)C2CC2)c1[O-] ZINC000750041396 574322417 /nfs/dbraw/zinc/32/24/17/574322417.db2.gz NSHPQYIOQVXJSY-UHFFFAOYSA-N -1 1 278.739 2.736 20 30 CFEDMM C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000736094401 574350848 /nfs/dbraw/zinc/35/08/48/574350848.db2.gz DWWKEGXWDSRAQW-NSHDSACASA-N -1 1 267.756 2.962 20 30 CFEDMM C=C(Cl)CN(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000736094401 574350851 /nfs/dbraw/zinc/35/08/51/574350851.db2.gz DWWKEGXWDSRAQW-NSHDSACASA-N -1 1 267.756 2.962 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2C2CC2)c(=O)o1 ZINC000751031668 574368683 /nfs/dbraw/zinc/36/86/83/574368683.db2.gz BDETXWDHIMCBDY-JJEJIETFSA-N -1 1 296.322 2.792 20 30 CFEDMM Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C1=COCC1 ZINC000744016085 574375778 /nfs/dbraw/zinc/37/57/78/574375778.db2.gz IVBHNMMZIDSYIP-CYBMUJFWSA-N -1 1 294.310 2.672 20 30 CFEDMM Cc1cc(NN=Cc2cccc(Cl)c2[O-])ncn1 ZINC000753165338 574399424 /nfs/dbraw/zinc/39/94/24/574399424.db2.gz BPONKWHJLOQFCJ-UHFFFAOYSA-N -1 1 262.700 2.590 20 30 CFEDMM Cc1cc(N=NCc2cccc(Cl)c2[O-])ncn1 ZINC000753165338 574399426 /nfs/dbraw/zinc/39/94/26/574399426.db2.gz BPONKWHJLOQFCJ-UHFFFAOYSA-N -1 1 262.700 2.590 20 30 CFEDMM N#Cc1ccc(F)c(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000821336162 598204139 /nfs/dbraw/zinc/20/41/39/598204139.db2.gz QRSZBCCSHTXOSQ-UHFFFAOYSA-N -1 1 284.290 2.685 20 30 CFEDMM CC[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000828900562 601498563 /nfs/dbraw/zinc/49/85/63/601498563.db2.gz HYHSAAMPJNMPRL-HXNQLNRQSA-N -1 1 276.119 2.981 20 30 CFEDMM CC(C)CN(CCC#N)Cc1cccc(C(=O)[O-])c1 ZINC000043416855 601762308 /nfs/dbraw/zinc/76/23/08/601762308.db2.gz MLNQWFHNWNXRHL-UHFFFAOYSA-N -1 1 260.337 2.756 20 30 CFEDMM Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c(O)c1 ZINC000832911041 601826018 /nfs/dbraw/zinc/82/60/18/601826018.db2.gz JIFGROQWTMIESL-QPJJXVBHSA-N -1 1 271.272 2.623 20 30 CFEDMM CCC[C@@H](C#N)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900469248 620679656 /nfs/dbraw/zinc/67/96/56/620679656.db2.gz GGMFGFAGQTZPNL-NSHDSACASA-N -1 1 284.315 2.673 20 30 CFEDMM C#CCN(Cc1cc(C(=O)[O-])ccc1F)C1CCCC1 ZINC000688848105 605837621 /nfs/dbraw/zinc/83/76/21/605837621.db2.gz VUMHDZKMWDUATJ-UHFFFAOYSA-N -1 1 275.323 2.902 20 30 CFEDMM O=C(C=Cc1cc(-c2nn[nH]n2)cs1)c1ccc([O-])cc1 ZINC000822923577 606303019 /nfs/dbraw/zinc/30/30/19/606303019.db2.gz SYICYTUKYQMVLM-WAYWQWQTSA-N -1 1 298.327 2.530 20 30 CFEDMM Cc1cc(C)cc(NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822197739 606369329 /nfs/dbraw/zinc/36/93/29/606369329.db2.gz NGMBPYFDFGWPMZ-UHFFFAOYSA-N -1 1 298.375 2.991 20 30 CFEDMM N#Cc1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000822832665 606439531 /nfs/dbraw/zinc/43/95/31/606439531.db2.gz DMCWMLJHXDKUTH-UHFFFAOYSA-N -1 1 298.693 2.579 20 30 CFEDMM N#Cc1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000822832665 606439533 /nfs/dbraw/zinc/43/95/33/606439533.db2.gz DMCWMLJHXDKUTH-UHFFFAOYSA-N -1 1 298.693 2.579 20 30 CFEDMM N#Cc1c(F)cccc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826383606 607867514 /nfs/dbraw/zinc/86/75/14/607867514.db2.gz ILLUBCSQYAXDLJ-UHFFFAOYSA-N -1 1 299.240 2.809 20 30 CFEDMM N#Cc1c(F)cccc1Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826383606 607867515 /nfs/dbraw/zinc/86/75/15/607867515.db2.gz ILLUBCSQYAXDLJ-UHFFFAOYSA-N -1 1 299.240 2.809 20 30 CFEDMM O=C(C=Cc1ccc(O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400585 608093866 /nfs/dbraw/zinc/09/38/66/608093866.db2.gz BWSZPNDCZWMIHM-ZZXKWVIFSA-N -1 1 298.327 2.530 20 30 CFEDMM O=C(C=Cc1ccc(O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400585 608093867 /nfs/dbraw/zinc/09/38/67/608093867.db2.gz BWSZPNDCZWMIHM-ZZXKWVIFSA-N -1 1 298.327 2.530 20 30 CFEDMM C=CCCCCCN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900795150 620714781 /nfs/dbraw/zinc/71/47/81/620714781.db2.gz LNFWQDDRNCSGEM-UHFFFAOYSA-N -1 1 289.379 2.878 20 30 CFEDMM CC[C@@H](Nc1cnn(C)c1C)c1cccc(C#N)c1[O-] ZINC000925965780 617685401 /nfs/dbraw/zinc/68/54/01/617685401.db2.gz GKZQOXJHPUYNCT-CYBMUJFWSA-N -1 1 270.336 2.869 20 30 CFEDMM C=CC(C)(C)CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891614870 617685700 /nfs/dbraw/zinc/68/57/00/617685700.db2.gz OGKXNYLYKSNHIQ-UHFFFAOYSA-N -1 1 275.352 2.602 20 30 CFEDMM N#Cc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1 ZINC000255381616 617703558 /nfs/dbraw/zinc/70/35/58/617703558.db2.gz VUCZINGXRCKASC-ALCCZGGFSA-N -1 1 265.268 2.866 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000901298130 620785325 /nfs/dbraw/zinc/78/53/25/620785325.db2.gz BGSLPXMWTZBXRR-ZSBIGDGJSA-N -1 1 280.343 2.719 20 30 CFEDMM CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1c([O-])cccc1F ZINC000901298824 620785801 /nfs/dbraw/zinc/78/58/01/620785801.db2.gz IODOWVFKFHUYAY-UWVGGRQHSA-N -1 1 280.343 2.801 20 30 CFEDMM N#Cc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1F ZINC000255618335 618233006 /nfs/dbraw/zinc/23/30/06/618233006.db2.gz JZLJSRZDGSLIDZ-UHFFFAOYSA-N -1 1 272.235 2.565 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cccc(O)c1 ZINC000187221232 618274800 /nfs/dbraw/zinc/27/48/00/618274800.db2.gz KUFVDOFKDZGYOH-WUXMJOGZSA-N -1 1 252.269 2.920 20 30 CFEDMM C[C@H]1CO[C@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000901372487 620793102 /nfs/dbraw/zinc/79/31/02/620793102.db2.gz FAZAQJWPFLWXRX-WBMJQRKESA-N -1 1 285.343 2.983 20 30 CFEDMM COC(C)(C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370290 620796880 /nfs/dbraw/zinc/79/68/80/620796880.db2.gz VXCAUHCBUIZWCG-UHFFFAOYSA-N -1 1 273.332 2.983 20 30 CFEDMM CC[C@H](OC)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370035 620796915 /nfs/dbraw/zinc/79/69/15/620796915.db2.gz PCUQZKNUVXKDBA-HNNXBMFYSA-N -1 1 273.332 2.983 20 30 CFEDMM Cc1ccccc1OCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901378611 620799499 /nfs/dbraw/zinc/79/94/99/620799499.db2.gz JBXAXKSGLLAZQQ-UHFFFAOYSA-N -1 1 289.306 2.931 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2cc(F)c(O)c(F)c2)cc1 ZINC000749850326 618442058 /nfs/dbraw/zinc/44/20/58/618442058.db2.gz KOZTVWFYFFTPIB-UHFFFAOYSA-N -1 1 292.241 2.815 20 30 CFEDMM C#C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])C(C)C ZINC000894931591 619513636 /nfs/dbraw/zinc/51/36/36/619513636.db2.gz BHEPWVRKWZYNNT-GFCCVEGCSA-N -1 1 280.755 2.503 20 30 CFEDMM C#CCC1(NC(=O)NCc2ccc([O-])c(Cl)c2)CCC1 ZINC000923982397 620005609 /nfs/dbraw/zinc/00/56/09/620005609.db2.gz LASRDGJKWADSJK-UHFFFAOYSA-N -1 1 292.766 2.791 20 30 CFEDMM CCCCCC(CCCCC)N=NC1=NCC(=O)[N-]1 ZINC000863175132 620164492 /nfs/dbraw/zinc/16/44/92/620164492.db2.gz SPGBVZLNFRZLMZ-UHFFFAOYSA-N -1 1 266.389 2.578 20 30 CFEDMM C=C1CC(C)(C(=O)Nc2cc(C(=O)OC(C)(C)C)[nH]n2)C1 ZINC000898096101 620337831 /nfs/dbraw/zinc/33/78/31/620337831.db2.gz OHKWUBNNHUFRTK-UHFFFAOYSA-N -1 1 291.351 2.660 20 30 CFEDMM C#C[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000898435781 620464526 /nfs/dbraw/zinc/46/45/26/620464526.db2.gz GEZYHUMKTQKDGM-LBPRGKRZSA-N -1 1 295.338 2.736 20 30 CFEDMM CCn1cnc(/C=C2/CCc3cc([O-])ccc3C2=O)c1 ZINC000899352170 620547764 /nfs/dbraw/zinc/54/77/64/620547764.db2.gz AJJYADHFKUKXFE-GHXNOFRVSA-N -1 1 268.316 2.821 20 30 CFEDMM Cc1[n-]n(-c2cc(C#N)cc(Cl)n2)c(=O)c1C(C)C ZINC000899351245 620550837 /nfs/dbraw/zinc/55/08/37/620550837.db2.gz DMIPJOAGFNFPTC-LBPRGKRZSA-N -1 1 276.727 2.601 20 30 CFEDMM CC(C)n1cncc1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000901489495 620834383 /nfs/dbraw/zinc/83/43/83/620834383.db2.gz AETLXZQXKWQJIJ-WUXMJOGZSA-N -1 1 268.316 2.992 20 30 CFEDMM Cc1nc(SCc2cc(C#N)ccn2)[n-]c(=O)c1C1CC1 ZINC000901586570 620862715 /nfs/dbraw/zinc/86/27/15/620862715.db2.gz GVDJPKRGFQOFBE-UHFFFAOYSA-N -1 1 298.371 2.927 20 30 CFEDMM C=CCOC[C@H](NCc1cc2ccccc2s1)C(=O)[O-] ZINC000901810294 620921656 /nfs/dbraw/zinc/92/16/56/620921656.db2.gz KTAWLBRBMBWMMS-ZDUSSCGKSA-N -1 1 291.372 2.647 20 30 CFEDMM CO[C@H](CC(C)C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177300 621543078 /nfs/dbraw/zinc/54/30/78/621543078.db2.gz AKFSFEYMLDNHIX-CYBMUJFWSA-N -1 1 269.316 2.605 20 30 CFEDMM C[C@]1(C(=O)N([O-])Cc2ccc(F)cc2)CCCCO1 ZINC000904177296 621543121 /nfs/dbraw/zinc/54/31/21/621543121.db2.gz AJDVGVOOHLQXJB-CQSZACIVSA-N -1 1 267.300 2.503 20 30 CFEDMM CO[C@@H](C(=O)N([O-])Cc1ccccc1Cl)C1CCC1 ZINC000904192275 621546329 /nfs/dbraw/zinc/54/63/29/621546329.db2.gz GSMHTEAWRRTKNF-CYBMUJFWSA-N -1 1 283.755 2.873 20 30 CFEDMM CC[C@@](C)(OC)C(=O)N([O-])Cc1ccccc1Cl ZINC000904192901 621546916 /nfs/dbraw/zinc/54/69/16/621546916.db2.gz DPZRTYJUGDFJFQ-CYBMUJFWSA-N -1 1 271.744 2.873 20 30 CFEDMM CCCCCCN([O-])C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000904205629 621551189 /nfs/dbraw/zinc/55/11/89/621551189.db2.gz QAUWLQNQQLPTMB-UHFFFAOYSA-N -1 1 295.383 2.619 20 30 CFEDMM C=CC(C)(C)CC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000908264043 622209830 /nfs/dbraw/zinc/20/98/30/622209830.db2.gz HSGXFJWTVLCKAA-UHFFFAOYSA-N -1 1 274.320 2.993 20 30 CFEDMM C=C[C@@H]1OCCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987776 622382394 /nfs/dbraw/zinc/38/23/94/622382394.db2.gz GUCHIWYSDJOASE-OQPBUACISA-N -1 1 283.274 2.590 20 30 CFEDMM C=CCCCCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000912048758 622619143 /nfs/dbraw/zinc/61/91/43/622619143.db2.gz JEJUQTIHYBCXLC-UHFFFAOYSA-N -1 1 275.352 2.536 20 30 CFEDMM C=CCCO[N-]C(=O)Cc1sc(CCCC)nc1C ZINC000912629548 622752807 /nfs/dbraw/zinc/75/28/07/622752807.db2.gz VVCWNJHXASLOFC-UHFFFAOYSA-N -1 1 282.409 2.961 20 30 CFEDMM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1O ZINC000156599931 622948015 /nfs/dbraw/zinc/94/80/15/622948015.db2.gz RCCFEVKSJXABDP-SOFGYWHQSA-N -1 1 285.255 2.902 20 30 CFEDMM N#CC1(C(=O)Nc2ccc([O-])c(F)c2F)CCSCC1 ZINC000821970365 623013357 /nfs/dbraw/zinc/01/33/57/623013357.db2.gz JYDNFNXDHPUZMZ-UHFFFAOYSA-N -1 1 298.314 2.646 20 30 CFEDMM Cc1nc(CN=Nc2ccccc2C(=O)[O-])c2ccccn12 ZINC000914600541 623906650 /nfs/dbraw/zinc/90/66/50/623906650.db2.gz VWSFJAVSHKZVMF-UHFFFAOYSA-N -1 1 294.314 2.787 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(C)cc1C ZINC000916241918 624231933 /nfs/dbraw/zinc/23/19/33/624231933.db2.gz NFDVUTQTHWSHJI-UHFFFAOYSA-N -1 1 270.336 2.944 20 30 CFEDMM CC#CCCCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834824910 625881587 /nfs/dbraw/zinc/88/15/87/625881587.db2.gz BLQIMFUZYPJHOY-UHFFFAOYSA-N -1 1 265.740 2.855 20 30 CFEDMM Cc1cc(N=NC(C)c2ccc([O-])c(Cl)c2)ncn1 ZINC000768778069 625904110 /nfs/dbraw/zinc/90/41/10/625904110.db2.gz VNVBFPZIXPZUBP-UHFFFAOYSA-N -1 1 276.727 2.980 20 30 CFEDMM CC(=NO[C@H]1CCCCO1)c1c([O-])cccc1F ZINC000884442686 625906502 /nfs/dbraw/zinc/90/65/02/625906502.db2.gz NFZSZWOMJGPJPQ-LBPRGKRZSA-N -1 1 253.273 2.799 20 30 CFEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccsc1 ZINC000834912233 625920726 /nfs/dbraw/zinc/92/07/26/625920726.db2.gz MJEAXCBYKGZHOH-UHFFFAOYSA-N -1 1 262.338 2.778 20 30 CFEDMM C[C@@H](NN=Cc1cccc([O-])c1Cl)C(F)(F)F ZINC000834999663 625949075 /nfs/dbraw/zinc/94/90/75/625949075.db2.gz XCTOAXHQJZJISM-ZCFIWIBFSA-N -1 1 266.650 2.920 20 30 CFEDMM COC(=O)c1occc1/C=C\C(=O)c1cc(C)ccc1[O-] ZINC000757468190 626552890 /nfs/dbraw/zinc/55/28/90/626552890.db2.gz OYIKWBCCMGKGPS-XQRVVYSFSA-N -1 1 286.283 2.976 20 30 CFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(C)(C)C ZINC000805146756 626554533 /nfs/dbraw/zinc/55/45/33/626554533.db2.gz KSPYDEOUGSNYFQ-ZDUSSCGKSA-N -1 1 291.372 2.759 20 30 CFEDMM [O-]c1c(O)cc(C=NNC2CCCC2)cc1Br ZINC000757576014 626555769 /nfs/dbraw/zinc/55/57/69/626555769.db2.gz UBBVYGVJOZVAMD-UHFFFAOYSA-N -1 1 299.168 2.726 20 30 CFEDMM N#CC1([N-]C(=O)C(F)(F)c2cccc(Cl)c2)CC1 ZINC000757965296 626570644 /nfs/dbraw/zinc/57/06/44/626570644.db2.gz GFXKIKXXSVKSTQ-UHFFFAOYSA-N -1 1 270.666 2.604 20 30 CFEDMM N#CC(=C([O-])C=Cc1ccccc1F)c1ccncn1 ZINC000760356529 626739424 /nfs/dbraw/zinc/73/94/24/626739424.db2.gz HZVSUHCYZHKHRY-BTDICHCPSA-N -1 1 267.263 2.505 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NCCc2ccc(F)cc2Cl)n1 ZINC000766424631 627202523 /nfs/dbraw/zinc/20/25/23/627202523.db2.gz NXXKUDZWXQKHPT-UHFFFAOYSA-N -1 1 294.717 2.924 20 30 CFEDMM CC(C)(C)C1CCC(C=Nn2c(=O)cn[n-]c2=S)CC1 ZINC000766478673 627205131 /nfs/dbraw/zinc/20/51/31/627205131.db2.gz SDKGUFBXKOXHHR-UHFFFAOYSA-N -1 1 294.424 2.613 20 30 CFEDMM C#Cc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000767293002 627242715 /nfs/dbraw/zinc/24/27/15/627242715.db2.gz ZYUQKMAIXSMLPX-UHFFFAOYSA-N -1 1 255.248 2.765 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cccc3nccn31)O2 ZINC000769607478 627460653 /nfs/dbraw/zinc/46/06/53/627460653.db2.gz LKQIHOWLZLQKJX-ZSOIEALJSA-N -1 1 292.294 2.965 20 30 CFEDMM N#CCn1cc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000769737389 627470767 /nfs/dbraw/zinc/47/07/67/627470767.db2.gz FBWUSHBBIATBFJ-UHFFFAOYSA-N -1 1 292.298 2.518 20 30 CFEDMM CC(=NNc1ccc(F)cn1)c1sccc1[O-] ZINC000769780498 627473795 /nfs/dbraw/zinc/47/37/95/627473795.db2.gz WZWVKBAREMKUCY-UHFFFAOYSA-N -1 1 251.286 2.824 20 30 CFEDMM N#Cc1ccc(O)c(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000770130999 627503852 /nfs/dbraw/zinc/50/38/52/627503852.db2.gz ZCRMXCNKFIRXKE-UHFFFAOYSA-N -1 1 288.690 2.875 20 30 CFEDMM C=CCN(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000772894761 627755540 /nfs/dbraw/zinc/75/55/40/627755540.db2.gz BOTMDJAFKKSSLM-UHFFFAOYSA-N -1 1 251.713 2.836 20 30 CFEDMM C=C(CC)COC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000773500172 627829070 /nfs/dbraw/zinc/82/90/70/627829070.db2.gz GMKSMAKPFFXDNS-UHFFFAOYSA-N -1 1 297.376 2.571 20 30 CFEDMM N#Cc1ccc(F)c(COC(=O)c2ccc([O-])cc2F)c1 ZINC000773570076 627837867 /nfs/dbraw/zinc/83/78/67/627837867.db2.gz XWYMASCCYSBAMG-UHFFFAOYSA-N -1 1 289.237 2.899 20 30 CFEDMM CCCCCCCCC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000774001164 627877154 /nfs/dbraw/zinc/87/71/54/627877154.db2.gz DFBQLNUZEFJQDY-GFCCVEGCSA-N -1 1 281.404 2.512 20 30 CFEDMM CCCCCCCCC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000774001165 627877506 /nfs/dbraw/zinc/87/75/06/627877506.db2.gz DFBQLNUZEFJQDY-LBPRGKRZSA-N -1 1 281.404 2.512 20 30 CFEDMM C[C@@H](CO)NN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774587218 627939587 /nfs/dbraw/zinc/93/95/87/627939587.db2.gz LUJDAGHGIKGNRD-VIFPVBQESA-N -1 1 278.739 2.503 20 30 CFEDMM N#Cc1ccc(O)c(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775793991 628068944 /nfs/dbraw/zinc/06/89/44/628068944.db2.gz SSDGOUAQSOJVRQ-UHFFFAOYSA-N -1 1 288.690 2.875 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2scnc2C2CC2)nc1 ZINC000782268836 628621808 /nfs/dbraw/zinc/62/18/08/628621808.db2.gz YVUAGTSZKABQOQ-UHFFFAOYSA-N -1 1 288.332 2.560 20 30 CFEDMM Cc1ccc([O-])c(NC(=O)/C=C/c2ccccc2C#N)n1 ZINC000790073849 629208534 /nfs/dbraw/zinc/20/85/34/629208534.db2.gz XNVVPXSEFCSTQF-VQHVLOKHSA-N -1 1 279.299 2.619 20 30 CFEDMM Cc1nc(C#N)c(N=NCc2c([O-])ccc(Cl)c2F)o1 ZINC000790158025 629214795 /nfs/dbraw/zinc/21/47/95/629214795.db2.gz RGUPPIUHZRWBHV-UHFFFAOYSA-N -1 1 294.673 2.799 20 30 CFEDMM Cc1nc(Cl)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000790246209 629222471 /nfs/dbraw/zinc/22/24/71/629222471.db2.gz VLWJVWVSOFPSJM-UHFFFAOYSA-N -1 1 287.706 2.873 20 30 CFEDMM O=C([O-])c1ccccc1CN=Nc1cccc(Cl)n1 ZINC000793163226 629495576 /nfs/dbraw/zinc/49/55/76/629495576.db2.gz ZVUOLGFLULWIMO-UHFFFAOYSA-N -1 1 275.695 2.879 20 30 CFEDMM CCc1cccc(F)c1C=NNc1nc(C)cc(=O)[n-]1 ZINC000794447872 629647667 /nfs/dbraw/zinc/64/76/67/629647667.db2.gz LBVDJRDYHWOONW-UHFFFAOYSA-N -1 1 274.299 2.638 20 30 CFEDMM CC(N=Nc1cccc(F)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000795010027 629724259 /nfs/dbraw/zinc/72/42/59/629724259.db2.gz UAIRKYOZQBLJQF-UHFFFAOYSA-N -1 1 290.254 2.671 20 30 CFEDMM C=CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000852487748 634758920 /nfs/dbraw/zinc/75/89/20/634758920.db2.gz YWYLGHYVSPPPSJ-UHFFFAOYSA-N -1 1 299.168 2.530 20 30 CFEDMM C=C[C@@](C)(CC)COC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000797142006 630026077 /nfs/dbraw/zinc/02/60/77/630026077.db2.gz MFXIXOIHEKTCIE-AWEZNQCLSA-N -1 1 265.309 2.560 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C/c2ccn(C)n2)c([O-])c1 ZINC000799895314 630352632 /nfs/dbraw/zinc/35/26/32/630352632.db2.gz OWAVNSDQGMNTOU-SNAWJCMRSA-N -1 1 256.305 2.639 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C3CC3)cc2)c(=O)o1 ZINC000840715629 631176247 /nfs/dbraw/zinc/17/62/47/631176247.db2.gz QNIXVSRPTJMURP-INDRUJQFSA-N -1 1 296.322 2.792 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H]2Cc2ccccc2)c1 ZINC000809705959 631268262 /nfs/dbraw/zinc/26/82/62/631268262.db2.gz GKKZBZZPKDDRKZ-MRXNPFEDSA-N -1 1 292.338 2.721 20 30 CFEDMM C#CCOc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809779243 631286690 /nfs/dbraw/zinc/28/66/90/631286690.db2.gz HJJUMTPZHPYHHX-UHFFFAOYSA-N -1 1 292.294 2.528 20 30 CFEDMM CC(=NNC[C@H](C)C#N)c1ccc(Cl)cc1[O-] ZINC000841630135 631436809 /nfs/dbraw/zinc/43/68/09/631436809.db2.gz HQIAEPSVFWYMQY-MRVPVSSYSA-N -1 1 251.717 2.519 20 30 CFEDMM CCOCCON=C(C)c1ccc(Cl)cc1[O-] ZINC000841632769 631437697 /nfs/dbraw/zinc/43/76/97/631437697.db2.gz GRQAEIHJZZAEGP-UHFFFAOYSA-N -1 1 257.717 2.823 20 30 CFEDMM CC(=NNC[C@@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000811657858 631597381 /nfs/dbraw/zinc/59/73/81/631597381.db2.gz AVEXOFVNJBHEPF-JTQLQIEISA-N -1 1 268.357 2.598 20 30 CFEDMM COC(=O)c1cc(/C=C\C(=O)c2cc(C)ccc2[O-])cn1C ZINC000811693704 631606891 /nfs/dbraw/zinc/60/68/91/631606891.db2.gz OUODJVFXZYKBPS-ALCCZGGFSA-N -1 1 299.326 2.722 20 30 CFEDMM [O-]c1ccc(C=NNC23CC(C2)C3)cc1Br ZINC000842547706 631662233 /nfs/dbraw/zinc/66/22/33/631662233.db2.gz VDGDNDWGCLXREI-UHFFFAOYSA-N -1 1 281.153 2.631 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(C3CC3)ccn2)c1 ZINC000812359162 631695534 /nfs/dbraw/zinc/69/55/34/631695534.db2.gz AEZXJGAIWKPEIB-UHFFFAOYSA-N -1 1 279.299 2.789 20 30 CFEDMM CC(=O)Nc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC000812443242 631719160 /nfs/dbraw/zinc/71/91/60/631719160.db2.gz OUTYFDOWVCJSFA-UHFFFAOYSA-N -1 1 297.314 2.789 20 30 CFEDMM N#Cc1cccc(SCCC[N-]C(=O)C(F)(F)F)c1 ZINC000155790374 650032014 /nfs/dbraw/zinc/03/20/14/650032014.db2.gz ZKWSILFPJHMOEG-UHFFFAOYSA-N -1 1 288.294 2.719 20 30 CFEDMM C#CC[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000843998422 632090907 /nfs/dbraw/zinc/09/09/07/632090907.db2.gz CLANRFSFNZDQIZ-NSHDSACASA-N -1 1 277.751 2.921 20 30 CFEDMM CC(=NNC[C@@H](C)C#N)c1ccc([O-])c(Br)c1 ZINC000844590417 632256589 /nfs/dbraw/zinc/25/65/89/632256589.db2.gz VRJKGPVKXAMZDQ-QMMMGPOBSA-N -1 1 296.168 2.628 20 30 CFEDMM N#CCn1cc([N-]c2nc(C3CCCC3)ns2)cn1 ZINC000817116786 632559293 /nfs/dbraw/zinc/55/92/93/632559293.db2.gz ANDNUJORAIXEHF-UHFFFAOYSA-N -1 1 274.353 2.659 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1c(Cl)cccc1OC ZINC000846551272 632739614 /nfs/dbraw/zinc/73/96/14/632739614.db2.gz ZAURMVHJZKIEPB-VIFPVBQESA-N -1 1 269.728 2.513 20 30 CFEDMM C=C[C@@H](C)ONC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000846555122 632742311 /nfs/dbraw/zinc/74/23/11/632742311.db2.gz OHKHSLRPXYGJFS-SSDOTTSWSA-N -1 1 275.226 2.647 20 30 CFEDMM C#CCOc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000108183007 633482676 /nfs/dbraw/zinc/48/26/76/633482676.db2.gz AIRDRLYMDYHKSL-UHFFFAOYSA-N -1 1 267.284 2.657 20 30 CFEDMM CCCn1nccc1/C=C1/Oc2cc([O-])cc(C)c2C1=O ZINC000853003675 634872765 /nfs/dbraw/zinc/87/27/65/634872765.db2.gz BSTOECRTCSHZTH-RIYZIHGNSA-N -1 1 284.315 2.923 20 30 CFEDMM N#CC1(CNc2cc(Cl)[n-]c(=O)n2)CCCCC1 ZINC000858627791 636312434 /nfs/dbraw/zinc/31/24/34/636312434.db2.gz IDSAYTCPLOGMRX-UHFFFAOYSA-N -1 1 266.732 2.722 20 30 CFEDMM C#CC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000862571182 637437410 /nfs/dbraw/zinc/43/74/10/637437410.db2.gz PYACQFTXJHMBCV-SNVBAGLBSA-N -1 1 297.276 2.896 20 30 CFEDMM N#CCOc1cc(F)ccc1NC(=O)c1ccccc1[O-] ZINC000120034587 637960695 /nfs/dbraw/zinc/96/06/95/637960695.db2.gz UGBXEXKMKUUZKI-UHFFFAOYSA-N -1 1 286.262 2.686 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cccc(OC(F)F)c2)n1 ZINC000864877640 638114285 /nfs/dbraw/zinc/11/42/85/638114285.db2.gz VTYUWADXSFAYEN-UHFFFAOYSA-N -1 1 294.261 2.538 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)s2)c(=O)o1 ZINC000122150202 638943677 /nfs/dbraw/zinc/94/36/77/638943677.db2.gz YMPYRWZEGLTCQB-KMOQFTEPSA-N -1 1 296.731 2.630 20 30 CFEDMM C#CCCCOC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869734631 639375501 /nfs/dbraw/zinc/37/55/01/639375501.db2.gz IZDPLUDXRRAZAB-UHFFFAOYSA-N -1 1 252.697 2.545 20 30 CFEDMM CCC[C@H]1C[C@H](C(=O)[N-]Oc2cccc(C#N)c2)CCO1 ZINC000870691294 639773486 /nfs/dbraw/zinc/77/34/86/639773486.db2.gz IGCAXOMYHXVJFT-KGLIPLIRSA-N -1 1 288.347 2.564 20 30 CFEDMM N#CCCCCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872875012 641954144 /nfs/dbraw/zinc/95/41/44/641954144.db2.gz AISNXJOZWMBUKI-UHFFFAOYSA-N -1 1 281.743 2.539 20 30 CFEDMM C#C[C@H]1CC[C@H](NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000874861182 642533576 /nfs/dbraw/zinc/53/35/76/642533576.db2.gz AYNMNWRKRORLNM-MGCOHNPYSA-N -1 1 279.286 2.592 20 30 CFEDMM C#C[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876399591 642851815 /nfs/dbraw/zinc/85/18/15/642851815.db2.gz QKFBTMKITQWVPB-NSHDSACASA-N -1 1 292.766 2.600 20 30 CFEDMM CC(=NNCCC(F)(F)F)c1c([O-])cccc1F ZINC000884458236 646369004 /nfs/dbraw/zinc/36/90/04/646369004.db2.gz AFMVULYFOUDWTR-UHFFFAOYSA-N -1 1 264.222 2.797 20 30 CFEDMM C#CCCCCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000135174733 646487310 /nfs/dbraw/zinc/48/73/10/646487310.db2.gz TXIRFJQNTTUPLL-UHFFFAOYSA-N -1 1 281.739 2.588 20 30 CFEDMM CC(C)(C#N)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674597 646735186 /nfs/dbraw/zinc/73/51/86/646735186.db2.gz RPYXRVNACGCABZ-UHFFFAOYSA-N -1 1 256.664 2.673 20 30 CFEDMM C=C[C@](C)(CC)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266515 646940725 /nfs/dbraw/zinc/94/07/25/646940725.db2.gz OSZYBWAIPOSDBW-OAHLLOKOSA-N -1 1 283.318 2.931 20 30 CFEDMM CCN(C[C@@H](C)C(=O)c1ccc([O-])cc1)C[C@H](C)C#N ZINC000929429584 649048776 /nfs/dbraw/zinc/04/87/76/649048776.db2.gz NZASKSHWGSXINL-CHWSQXEVSA-N -1 1 274.364 2.693 20 30 CFEDMM N#Cc1cc2c(nc1-c1cccc([O-])c1F)CCC2 ZINC001243543779 782265252 /nfs/dbraw/zinc/26/52/52/782265252.db2.gz INOONSJNIPACKD-UHFFFAOYSA-N -1 1 254.264 2.954 20 30 CFEDMM C#C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C(C)(C)C ZINC000705299658 769907344 /nfs/dbraw/zinc/90/73/44/769907344.db2.gz HIPPTDDJAOFMFF-GFCCVEGCSA-N -1 1 265.740 2.823 20 30 CFEDMM C#C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000692300607 770479997 /nfs/dbraw/zinc/47/99/97/770479997.db2.gz LFVQYWCKLJXCPG-JTQLQIEISA-N -1 1 263.724 2.531 20 30 CFEDMM C#CC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000692317554 770580426 /nfs/dbraw/zinc/58/04/26/770580426.db2.gz YJWSSHUWYRJGRI-UHFFFAOYSA-N -1 1 263.724 2.531 20 30 CFEDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C#N)C2)c1[O-] ZINC000693912231 775246541 /nfs/dbraw/zinc/24/65/41/775246541.db2.gz NVRSMRWCOXJRBR-NSHDSACASA-N -1 1 292.766 2.984 20 30 CFEDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C#N)C2)c1[O-] ZINC000693912230 775248145 /nfs/dbraw/zinc/24/81/45/775248145.db2.gz NVRSMRWCOXJRBR-LLVKDONJSA-N -1 1 292.766 2.984 20 30 CFEDMM C#C[C@@H](CCCCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667424 775548523 /nfs/dbraw/zinc/54/85/23/775548523.db2.gz SQQOPPIQMSPOPR-JTQLQIEISA-N -1 1 264.281 2.656 20 30 CFEDMM C#C[C@@H](CCCCC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667424 775548530 /nfs/dbraw/zinc/54/85/30/775548530.db2.gz SQQOPPIQMSPOPR-JTQLQIEISA-N -1 1 264.281 2.656 20 30 CFEDMM C=C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001225763198 775585621 /nfs/dbraw/zinc/58/56/21/775585621.db2.gz WPTKTXMXSPAGBV-JTQLQIEISA-N -1 1 260.318 2.777 20 30 CFEDMM CCC1=C(Oc2cc(C(C)=O)ccc2[O-])C(=O)[C@H](C)O1 ZINC001225998852 775663794 /nfs/dbraw/zinc/66/37/94/775663794.db2.gz QGAMOPQTJBWVRV-VIFPVBQESA-N -1 1 276.288 2.583 20 30 CFEDMM C=CC[C@H](CCCC)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226240951 775749691 /nfs/dbraw/zinc/74/96/91/775749691.db2.gz PJGOXNRUPJCIEZ-LLVKDONJSA-N -1 1 264.325 2.899 20 30 CFEDMM C=CC[C@H](Oc1[n-]c(=S)ncc1OC)C(C)C ZINC001226245911 775752314 /nfs/dbraw/zinc/75/23/14/775752314.db2.gz KZXQVYZHNGMULM-VIFPVBQESA-N -1 1 254.355 2.753 20 30 CFEDMM CCC#C[C@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226486464 775843921 /nfs/dbraw/zinc/84/39/21/775843921.db2.gz QBVXMHGHATVWSD-NSHDSACASA-N -1 1 272.300 2.988 20 30 CFEDMM CCC[C@H](C#Cc1ccccc1)Oc1cnc[n-]c1=O ZINC001227050655 776074441 /nfs/dbraw/zinc/07/44/41/776074441.db2.gz CNHNROPRFAMOFB-CQSZACIVSA-N -1 1 268.316 2.781 20 30 CFEDMM C=CC[C@H](Oc1[n-]c(=O)ncc1Br)C(C)C ZINC001227136664 776111164 /nfs/dbraw/zinc/11/11/64/776111164.db2.gz BUYXKMXJHLICMT-VIFPVBQESA-N -1 1 287.157 2.924 20 30 CFEDMM C=C[C@@H](CCC)Oc1[n-]c(=O)ncc1Br ZINC001227138162 776111276 /nfs/dbraw/zinc/11/12/76/776111276.db2.gz NVMBFEMMVUHFMI-ZETCQYMHSA-N -1 1 273.130 2.678 20 30 CFEDMM C#C[C@H](CCCC)Oc1cc([O-])ccc1C(=O)COC ZINC001227172063 776123222 /nfs/dbraw/zinc/12/32/22/776123222.db2.gz KDZPKYXMLMWSRE-CYBMUJFWSA-N -1 1 276.332 2.792 20 30 CFEDMM CCCCCCC[C@H](C)Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227436602 776204010 /nfs/dbraw/zinc/20/40/10/776204010.db2.gz ZAZIDLNLVBZWSR-VIFPVBQESA-N -1 1 294.355 2.892 20 30 CFEDMM C[C@@H](COc1ccc([O-])c(C#N)c1C#N)Oc1ccccc1 ZINC001227621112 776247171 /nfs/dbraw/zinc/24/71/71/776247171.db2.gz ADRMRRJATXSTAG-LBPRGKRZSA-N -1 1 294.310 2.982 20 30 CFEDMM COC1=CC[C@@H](Oc2ccc([O-])c(C#N)c2C#N)CC1 ZINC001227624402 776248385 /nfs/dbraw/zinc/24/83/85/776248385.db2.gz ZMBFCMAGACTCGE-LLVKDONJSA-N -1 1 270.288 2.597 20 30 CFEDMM C=C(C)C[C@@H](Oc1[n-]c(=O)nc2c1COC2)C(=C)C ZINC001227685944 776255546 /nfs/dbraw/zinc/25/55/46/776255546.db2.gz AZQJJFNOANRWNW-GFCCVEGCSA-N -1 1 262.309 2.502 20 30 CFEDMM C=C[C@H](CC(=O)OC(C)(C)C)Oc1cc([O-])ccc1C#N ZINC001228005314 776357588 /nfs/dbraw/zinc/35/75/88/776357588.db2.gz LJXKFSVXGDUNFJ-CYBMUJFWSA-N -1 1 289.331 2.929 20 30 CFEDMM CCC[C@H](CC(=O)OCC)Oc1cc([O-])ccc1C#N ZINC001228007215 776359373 /nfs/dbraw/zinc/35/93/73/776359373.db2.gz NXLUKBBPVDDHOL-CYBMUJFWSA-N -1 1 277.320 2.765 20 30 CFEDMM CCOC(=O)[C@@H](CC(C)C)Oc1cc([O-])ccc1C#N ZINC001228007219 776360054 /nfs/dbraw/zinc/36/00/54/776360054.db2.gz OAJPJEVSKMTSKL-CQSZACIVSA-N -1 1 277.320 2.620 20 30 CFEDMM CC/C=C\CCOC(=O)[C@@H](C)Oc1cc([O-])ccc1C#N ZINC001228007903 776361401 /nfs/dbraw/zinc/36/14/01/776361401.db2.gz UTDCIOHZXXOLEM-QMAVJUDZSA-N -1 1 289.331 2.931 20 30 CFEDMM C=CC[C@H](Oc1cc(=O)[n-]c(SC)n1)C(C)C ZINC001228094988 776395505 /nfs/dbraw/zinc/39/55/05/776395505.db2.gz OOWKTSNWPOBCQM-VIFPVBQESA-N -1 1 254.355 2.884 20 30 CFEDMM CSc1nc(O[C@@H](C#N)c2ccccc2)cc(=O)[n-]1 ZINC001228090871 776391640 /nfs/dbraw/zinc/39/16/40/776391640.db2.gz PIVUVAGRSFYPQO-JTQLQIEISA-N -1 1 273.317 2.548 20 30 CFEDMM CSc1nc(O[C@H](C#N)c2cccc(F)c2)cc(=O)[n-]1 ZINC001228094582 776393648 /nfs/dbraw/zinc/39/36/48/776393648.db2.gz KSBZBYWJYIIJNI-SNVBAGLBSA-N -1 1 291.307 2.687 20 30 CFEDMM C=C[C@H](CCCCC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228142841 776408225 /nfs/dbraw/zinc/40/82/25/776408225.db2.gz HQAOQZBKRPCEIP-SECBINFHSA-N -1 1 267.285 2.604 20 30 CFEDMM C#C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])[C@@H](CC)CCCC ZINC001228142697 776408483 /nfs/dbraw/zinc/40/84/83/776408483.db2.gz GRPYIWDDZSCYAJ-WDEREUQCSA-N -1 1 293.323 2.687 20 30 CFEDMM C#CC(C#C)Oc1cc([O-])ccc1C(=O)c1ccccc1 ZINC001228185936 776417806 /nfs/dbraw/zinc/41/78/06/776417806.db2.gz MGUIWDJKKCWNHB-UHFFFAOYSA-N -1 1 276.291 2.637 20 30 CFEDMM CC#C[C@H](CC)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228556405 776519979 /nfs/dbraw/zinc/51/99/79/776519979.db2.gz OINZGVBREFARMX-NSHDSACASA-N -1 1 262.305 2.871 20 30 CFEDMM C=CC[C@H](Oc1cnnc(=S)[n-]1)c1ccccc1 ZINC001228642372 776550949 /nfs/dbraw/zinc/55/09/49/776550949.db2.gz OVMRBEXPYAQOLP-NSHDSACASA-N -1 1 259.334 2.857 20 30 CFEDMM C#C[C@@H](CCC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229136138 776728221 /nfs/dbraw/zinc/72/82/21/776728221.db2.gz SVPJELUJDZDSGJ-NSHDSACASA-N -1 1 258.273 2.679 20 30 CFEDMM C#C[C@H](Oc1cc([O-])cc2oc(=O)ccc12)c1ccncc1 ZINC001229132266 776728566 /nfs/dbraw/zinc/72/85/66/776728566.db2.gz RABIBEBVRADNDA-AWEZNQCLSA-N -1 1 293.278 2.647 20 30 CFEDMM C#CC(C#C)Oc1cc([O-])ccc1C(=O)Cc1ccccc1 ZINC001229264040 776768648 /nfs/dbraw/zinc/76/86/48/776768648.db2.gz NSBVWRJFVOCYIE-UHFFFAOYSA-N -1 1 290.318 2.831 20 30 CFEDMM C#C[C@@H](CCCC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231265051 777180932 /nfs/dbraw/zinc/18/09/32/777180932.db2.gz VZBSMWWELQZMCM-JTQLQIEISA-N -1 1 264.281 2.575 20 30 CFEDMM CCCCN(CCC#N)Cc1ccc(C(=O)[O-])cc1O ZINC001231450339 777224324 /nfs/dbraw/zinc/22/43/24/777224324.db2.gz DUVDGRKGHFMBSX-UHFFFAOYSA-N -1 1 276.336 2.606 20 30 CFEDMM CCCCCCCC[C@H](C)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234471833 778232849 /nfs/dbraw/zinc/23/28/49/778232849.db2.gz IQHJJFRDEOIGBB-NSHDSACASA-N -1 1 295.383 2.799 20 30 CFEDMM CCCCCCC[C@@H](CC)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234472565 778234182 /nfs/dbraw/zinc/23/41/82/778234182.db2.gz UUPAAFKMRBGDAM-LLVKDONJSA-N -1 1 295.383 2.799 20 30 CFEDMM C=CC[C@@H](C=C)Oc1c(C(=O)OC)nc(C(C)C)[n-]c1=O ZINC001234557409 778251908 /nfs/dbraw/zinc/25/19/08/778251908.db2.gz KBGZSYZICCLFDJ-SNVBAGLBSA-N -1 1 292.335 2.602 20 30 CFEDMM C=CCC[C@H](CC)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234565837 778254070 /nfs/dbraw/zinc/25/40/70/778254070.db2.gz PNZRSKCRVRYFNC-JTQLQIEISA-N -1 1 293.367 2.528 20 30 CFEDMM C=CCC(CC=C)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234611135 778265609 /nfs/dbraw/zinc/26/56/09/778265609.db2.gz YYBLDSDVXKZSGR-UHFFFAOYSA-N -1 1 281.283 2.613 20 30 CFEDMM CCC[C@@H](CC(=O)OC)Oc1ccccc1C=N[O-] ZINC001234819094 778301411 /nfs/dbraw/zinc/30/14/11/778301411.db2.gz HFFCSJPZEGOTRE-LBPRGKRZSA-N -1 1 265.309 2.605 20 30 CFEDMM COC(=O)[C@@H]1CCC[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234819870 778302530 /nfs/dbraw/zinc/30/25/30/778302530.db2.gz PXMNJTCWNSFVHG-YPMHNXCESA-N -1 1 277.320 2.605 20 30 CFEDMM CCOC(=O)[C@@H]1CCC[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234818737 778302660 /nfs/dbraw/zinc/30/26/60/778302660.db2.gz DDDBARPQANTLNA-OCCSQVGLSA-N -1 1 291.347 2.995 20 30 CFEDMM N#Cc1cccc(N)c1Nc1ccc([O-])c(F)c1F ZINC001212013698 778327180 /nfs/dbraw/zinc/32/71/80/778327180.db2.gz FLROZAGEQKSQIB-UHFFFAOYSA-N -1 1 261.231 2.868 20 30 CFEDMM COCOc1ccc(-c2ccccc2C=N[O-])cn1 ZINC001235965792 778632004 /nfs/dbraw/zinc/63/20/04/778632004.db2.gz VVJREXGQOPPQQH-UHFFFAOYSA-N -1 1 258.277 2.539 20 30 CFEDMM Cc1cc(Br)c([O-])c(CN(C)[C@H](C)C#N)c1 ZINC001236668436 778908245 /nfs/dbraw/zinc/90/82/45/778908245.db2.gz BBFDFOXJTRHAQH-SECBINFHSA-N -1 1 283.169 2.807 20 30 CFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc(C#N)cs1 ZINC000176460172 779179617 /nfs/dbraw/zinc/17/96/17/779179617.db2.gz MSDLSAASVWNAOZ-LBPRGKRZSA-N -1 1 295.323 2.581 20 30 CFEDMM N#C[C@@H]1CCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237946933 779213975 /nfs/dbraw/zinc/21/39/75/779213975.db2.gz PJCKTCIDQNTQMO-VIFPVBQESA-N -1 1 254.692 2.673 20 30 CFEDMM CS(=O)(=O)c1ccccc1-c1cc(/C=N/[O-])ccc1F ZINC001239775410 779764680 /nfs/dbraw/zinc/76/46/80/779764680.db2.gz AUAFXHFXFQZPHH-CXUHLZMHSA-N -1 1 293.319 2.704 20 30 CFEDMM N#Cc1cc2c(nc1-c1c(F)ccc([O-])c1F)CCOC2 ZINC001241291058 780759243 /nfs/dbraw/zinc/75/92/43/780759243.db2.gz YYWDYBCRIBCMJD-UHFFFAOYSA-N -1 1 288.253 2.677 20 30 CFEDMM [O-]/N=C/c1ccc(F)c(-c2ccc(CO)c(F)c2)c1 ZINC001242534097 781576369 /nfs/dbraw/zinc/57/63/69/781576369.db2.gz STTARQOLOYWDIK-REZTVBANSA-N -1 1 263.243 2.932 20 30 CFEDMM Cc1cnc(-c2ccc([O-])c(C#N)c2)nc1NCC1CC1 ZINC001242562189 781599882 /nfs/dbraw/zinc/59/98/82/781599882.db2.gz KPYKJGCAEPVFTC-UHFFFAOYSA-N -1 1 280.331 2.851 20 30 CFEDMM N#Cc1cc(-c2ccc(C(F)(F)F)nn2)ccc1[O-] ZINC001242561600 781599959 /nfs/dbraw/zinc/59/99/59/781599959.db2.gz AQFGOMGJBGBOEV-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM Cc1cnc(-c2ccc([O-])c(C#N)c2)nc1NC1CC1 ZINC001242562431 781600165 /nfs/dbraw/zinc/60/01/65/781600165.db2.gz YIGPBRSYALMPQA-UHFFFAOYSA-N -1 1 266.304 2.604 20 30 CFEDMM Cc1nc2ncc(-c3ccc([O-])c(C#N)c3)nc2s1 ZINC001242562617 781601206 /nfs/dbraw/zinc/60/12/06/781601206.db2.gz FXPRLORVNJRKKV-UHFFFAOYSA-N -1 1 268.301 2.639 20 30 CFEDMM N#Cc1cc(-c2ccc(-c3ccccn3)nn2)ccc1[O-] ZINC001242562646 781601827 /nfs/dbraw/zinc/60/18/27/781601827.db2.gz FBRZUDOJYPPVPP-UHFFFAOYSA-N -1 1 274.283 2.783 20 30 CFEDMM CC(C)(C)C(=O)Nc1ccc(-c2ccc([O-])c(C#N)c2)nn1 ZINC001242563480 781602597 /nfs/dbraw/zinc/60/25/97/781602597.db2.gz YPGRXBXKAXWXRD-UHFFFAOYSA-N -1 1 296.330 2.705 20 30 CFEDMM CCS(=O)(=O)c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242564546 781603455 /nfs/dbraw/zinc/60/34/55/781603455.db2.gz GFTKWWPTOCHNJH-UHFFFAOYSA-N -1 1 287.340 2.724 20 30 CFEDMM CC(=O)Nc1ccc(-c2ccc([O-])c(C#N)c2)c(C)n1 ZINC001242565386 781604685 /nfs/dbraw/zinc/60/46/85/781604685.db2.gz AFSHVIHRLZIMBL-UHFFFAOYSA-N -1 1 267.288 2.593 20 30 CFEDMM CC(=O)Nc1ncc(-c2ccc([O-])c(C#N)c2)cc1C ZINC001242565224 781604780 /nfs/dbraw/zinc/60/47/80/781604780.db2.gz RPPVNMFVYGGPLB-UHFFFAOYSA-N -1 1 267.288 2.593 20 30 CFEDMM CC(=O)Nc1cc(C)c(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242565458 781605187 /nfs/dbraw/zinc/60/51/87/781605187.db2.gz FFGUHNLZGTUERB-UHFFFAOYSA-N -1 1 267.288 2.593 20 30 CFEDMM CC1(C)NC(=O)Cc2ccc(-c3ccc([O-])c(C#N)c3)cc21 ZINC001242567045 781606701 /nfs/dbraw/zinc/60/67/01/781606701.db2.gz PGBVNMFIRXKGGL-UHFFFAOYSA-N -1 1 292.338 2.838 20 30 CFEDMM CCOc1cc(-c2ccc([O-])c(C#N)c2)cnc1F ZINC001242566340 781606756 /nfs/dbraw/zinc/60/67/56/781606756.db2.gz UOHICMILNRLAHC-UHFFFAOYSA-N -1 1 258.252 2.864 20 30 CFEDMM Cn1c2ccccc2c(-c2ccc([O-])c(C#N)c2)cc1=O ZINC001242566356 781606767 /nfs/dbraw/zinc/60/67/67/781606767.db2.gz VKNCXYXIVUQKOM-UHFFFAOYSA-N -1 1 276.295 2.783 20 30 CFEDMM N#Cc1ncc(-c2cc([O-])cc(C(F)(F)F)c2)nc1C#N ZINC001242781578 781758704 /nfs/dbraw/zinc/75/87/04/781758704.db2.gz NADYEOSODWEQHU-UHFFFAOYSA-N -1 1 290.204 2.611 20 30 CFEDMM COc1nccc(-c2ccc(/C=N/[O-])c(F)c2)c1OC ZINC001242962446 781880961 /nfs/dbraw/zinc/88/09/61/781880961.db2.gz UJQCUUBCQCAQSH-CAOOACKPSA-N -1 1 276.267 2.713 20 30 CFEDMM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000594790115 349487525 /nfs/dbraw/zinc/48/75/25/349487525.db2.gz RWSACUMOPKTZQE-WCQYABFASA-N -1 1 294.376 2.564 20 30 CFEDMM C[C@@H]1CC(C[N-]S(=O)(=O)c2ccc(C#N)o2)C[C@@H](C)C1 ZINC000594819789 349489373 /nfs/dbraw/zinc/48/93/73/349489373.db2.gz XAFFCRFJMXJEDG-QWRGUYRKSA-N -1 1 296.392 2.502 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1cc(C)c(Cl)cc1OC ZINC000096659776 185109183 /nfs/dbraw/zinc/10/91/83/185109183.db2.gz KTQKMWJMGOQABI-UHFFFAOYSA-N -1 1 289.784 2.975 20 30 CFEDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000176399048 529548721 /nfs/dbraw/zinc/54/87/21/529548721.db2.gz DMALGKAGMJRWQN-UHFFFAOYSA-N -1 1 286.356 2.921 20 30 CFEDMM COCC1(CN=c2[n-]c(C#N)c(Cl)s2)CCCC1 ZINC000596262320 349846195 /nfs/dbraw/zinc/84/61/95/349846195.db2.gz ORUSOMRAMGUUBK-UHFFFAOYSA-N -1 1 285.800 2.709 20 30 CFEDMM N#Cc1cc(C(=O)Nc2c([O-])cccc2F)ccc1F ZINC000586801845 348754497 /nfs/dbraw/zinc/75/44/97/348754497.db2.gz ROLYEHRTUCRBDK-UHFFFAOYSA-N -1 1 274.226 2.794 20 30 CFEDMM CC1CCC(CNC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589170385 348815106 /nfs/dbraw/zinc/81/51/06/348815106.db2.gz YUPKIQKXBKWGOG-UHFFFAOYSA-N -1 1 272.348 2.820 20 30 CFEDMM Cc1ccc2c(c1)N(C(=O)c1cc([O-])cc(C#N)c1)CC2 ZINC000589173230 348815932 /nfs/dbraw/zinc/81/59/32/348815932.db2.gz NKZWGQYLGZWULT-UHFFFAOYSA-N -1 1 278.311 2.775 20 30 CFEDMM Cc1cc2c[nH]nc2cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589179414 348815977 /nfs/dbraw/zinc/81/59/77/348815977.db2.gz LOKYTCRXXXOECJ-UHFFFAOYSA-N -1 1 292.298 2.701 20 30 CFEDMM Cc1csc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589178379 348816182 /nfs/dbraw/zinc/81/61/82/348816182.db2.gz ZDVIPJADZOBJKQ-SECBINFHSA-N -1 1 287.344 2.520 20 30 CFEDMM CCN(CCC(F)(F)F)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589174101 348816361 /nfs/dbraw/zinc/81/63/61/348816361.db2.gz BDCMLUWQXYHOQD-UHFFFAOYSA-N -1 1 286.253 2.678 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000589190421 348817715 /nfs/dbraw/zinc/81/77/15/348817715.db2.gz SHPKZVUQLGNZRF-NSHDSACASA-N -1 1 280.274 2.572 20 30 CFEDMM CCC[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589189366 348818136 /nfs/dbraw/zinc/81/81/36/348818136.db2.gz SYCBWEVALFLJTF-LBPRGKRZSA-N -1 1 272.348 2.916 20 30 CFEDMM COc1cc(C)cc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589194095 348818302 /nfs/dbraw/zinc/81/83/02/348818302.db2.gz VVVGRCRYCBTBCY-UHFFFAOYSA-N -1 1 296.326 2.511 20 30 CFEDMM CCc1cnccc1[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589197106 348819338 /nfs/dbraw/zinc/81/93/38/348819338.db2.gz AYWQVLCNBFIGEZ-NSHDSACASA-N -1 1 295.342 2.712 20 30 CFEDMM C[C@H](CCC1CC1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589204982 348819890 /nfs/dbraw/zinc/81/98/90/348819890.db2.gz FUEVEZCVACFYAK-SNVBAGLBSA-N -1 1 258.321 2.572 20 30 CFEDMM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C[C@H]1C ZINC000589203653 348820046 /nfs/dbraw/zinc/82/00/46/348820046.db2.gz OFQLDDXQHULFMC-GYSYKLTISA-N -1 1 272.348 2.818 20 30 CFEDMM C=CCN(CCC#N)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000590409049 348899179 /nfs/dbraw/zinc/89/91/79/348899179.db2.gz UZQLGFQGCCNIDP-UHFFFAOYSA-N -1 1 298.264 2.953 20 30 CFEDMM C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)CC(F)(F)F ZINC000591096275 348987593 /nfs/dbraw/zinc/98/75/93/348987593.db2.gz RWMOPDROIAYGTF-QMMMGPOBSA-N -1 1 286.253 2.582 20 30 CFEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)C1CC(C)(C)C1 ZINC000591103485 348988139 /nfs/dbraw/zinc/98/81/39/348988139.db2.gz JDLATZOWPOGULN-UHFFFAOYSA-N -1 1 272.348 2.915 20 30 CFEDMM CCC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCC1 ZINC000590922278 348967050 /nfs/dbraw/zinc/96/70/50/348967050.db2.gz ANJSDYNYBVLVBG-OAHLLOKOSA-N -1 1 272.348 2.962 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](C3CC3)C2)cc1[O-] ZINC000329692164 539721361 /nfs/dbraw/zinc/72/13/61/539721361.db2.gz GTZQDBJOZUEDTD-CQSZACIVSA-N -1 1 270.332 2.526 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000592822631 349168772 /nfs/dbraw/zinc/16/87/72/349168772.db2.gz DYNLPILYDSZOLT-WFASDCNBSA-N -1 1 270.332 2.669 20 30 CFEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H](C)C(C)C ZINC000594360442 349410419 /nfs/dbraw/zinc/41/04/19/349410419.db2.gz CJPPTWZYNGLOLU-LLVKDONJSA-N -1 1 260.337 2.770 20 30 CFEDMM CCN(C(=O)c1cc(Br)ccc1[O-])[C@H](C)C#N ZINC000598351609 350243647 /nfs/dbraw/zinc/24/36/47/350243647.db2.gz WZNPNAXSFCUZNB-MRVPVSSYSA-N -1 1 297.152 2.529 20 30 CFEDMM CC(NC(=O)c1cc([O-])cc(C#N)c1)(C1CC1)C1CC1 ZINC000598379891 350252761 /nfs/dbraw/zinc/25/27/61/350252761.db2.gz CFHDCLHJZCYVOT-UHFFFAOYSA-N -1 1 270.332 2.572 20 30 CFEDMM CC(C)(C)C(F)(F)CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000598465083 350272302 /nfs/dbraw/zinc/27/23/02/350272302.db2.gz ORRTUUDXQHSECL-UHFFFAOYSA-N -1 1 282.290 2.675 20 30 CFEDMM C=CCCC(C)(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000598521800 350280242 /nfs/dbraw/zinc/28/02/42/350280242.db2.gz KWGHMJWSGAGOQO-UHFFFAOYSA-N -1 1 258.321 2.738 20 30 CFEDMM CCc1c(C)[n-]n(-c2ccc(C#N)c(Cl)c2)c1=O ZINC000601948047 350815296 /nfs/dbraw/zinc/81/52/96/350815296.db2.gz IXHMIQYPZYYMCR-LLVKDONJSA-N -1 1 261.712 2.960 20 30 CFEDMM CN(C(=O)c1ncc2ccccc2c1[O-])[C@H]1CCC[C@@H]1C#N ZINC000601802467 350778453 /nfs/dbraw/zinc/77/84/53/350778453.db2.gz TYLWYRSEZFEUQY-RISCZKNCSA-N -1 1 295.342 2.705 20 30 CFEDMM C[C@H](CC1CCC1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000601868720 350794586 /nfs/dbraw/zinc/79/45/86/350794586.db2.gz GKIZDSJTSPXCPP-SNVBAGLBSA-N -1 1 258.321 2.572 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000601869805 350795337 /nfs/dbraw/zinc/79/53/37/350795337.db2.gz YPTLGFZRNFIEAU-LLVKDONJSA-N -1 1 298.264 2.678 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1cc(-c2ccc(C)o2)[nH]n1 ZINC000291911772 198103640 /nfs/dbraw/zinc/10/36/40/198103640.db2.gz SMTKUGRQOHFPIY-UHFFFAOYSA-N -1 1 295.364 2.686 20 30 CFEDMM CN(Cc1ccsc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293065 352076265 /nfs/dbraw/zinc/07/62/65/352076265.db2.gz SRUDERHSOAEYOX-UHFFFAOYSA-N -1 1 272.329 2.598 20 30 CFEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614295250 352076285 /nfs/dbraw/zinc/07/62/85/352076285.db2.gz IAVRLQSZGOFDGV-UHFFFAOYSA-N -1 1 294.354 2.971 20 30 CFEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(O)c1 ZINC000614293748 352076540 /nfs/dbraw/zinc/07/65/40/352076540.db2.gz YERDJXIXQKYMCI-UHFFFAOYSA-N -1 1 268.272 2.530 20 30 CFEDMM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614294893 352076621 /nfs/dbraw/zinc/07/66/21/352076621.db2.gz ABERYPAGGHGKOP-MFKMUULPSA-N -1 1 258.321 2.572 20 30 CFEDMM C[C@H](c1ccco1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614361713 352084888 /nfs/dbraw/zinc/08/48/88/352084888.db2.gz WFKCJXBNWJAXIQ-SNVBAGLBSA-N -1 1 270.288 2.690 20 30 CFEDMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614715220 352114317 /nfs/dbraw/zinc/11/43/17/352114317.db2.gz YLRGKCUDVOPLTQ-IAQYHMDHSA-N -1 1 272.348 2.915 20 30 CFEDMM CC(C)C(C)(C)CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000615144683 352159353 /nfs/dbraw/zinc/15/93/53/352159353.db2.gz WKVKQZFYBGIROJ-UHFFFAOYSA-N -1 1 260.337 2.676 20 30 CFEDMM C=CC[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000617781529 352644828 /nfs/dbraw/zinc/64/48/28/352644828.db2.gz OULZTIGSWJURBX-LLVKDONJSA-N -1 1 263.312 2.960 20 30 CFEDMM C=CC[C@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000617781530 352645099 /nfs/dbraw/zinc/64/50/99/352645099.db2.gz OULZTIGSWJURBX-NSHDSACASA-N -1 1 263.312 2.960 20 30 CFEDMM CC1(C)CCN(C(=O)c2cc([O-])cc(C#N)c2)CCS1 ZINC000619141342 352965712 /nfs/dbraw/zinc/96/57/12/352965712.db2.gz SPLVZRQWIOVGNI-UHFFFAOYSA-N -1 1 290.388 2.622 20 30 CFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCC(C)(C)C1 ZINC000619456984 353026278 /nfs/dbraw/zinc/02/62/78/353026278.db2.gz SHPVXYORRPKVGM-CYBMUJFWSA-N -1 1 272.348 2.915 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2C(F)F)c1 ZINC000619730711 353061293 /nfs/dbraw/zinc/06/12/93/353061293.db2.gz VACDQSVXDMLQFU-GFCCVEGCSA-N -1 1 280.274 2.524 20 30 CFEDMM CCn1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)n1 ZINC000626283979 354244284 /nfs/dbraw/zinc/24/42/84/354244284.db2.gz YWYIZJMPFJPGKN-LLVKDONJSA-N -1 1 293.330 2.578 20 30 CFEDMM C=CC[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000628493781 354608689 /nfs/dbraw/zinc/60/86/89/354608689.db2.gz XAQULVHOGFKGDD-LBPRGKRZSA-N -1 1 282.343 2.979 20 30 CFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1F ZINC000427113251 239284679 /nfs/dbraw/zinc/28/46/79/239284679.db2.gz GLGOVYQYDPWIBZ-UHFFFAOYSA-N -1 1 294.282 2.637 20 30 CFEDMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(C#N)c2)o1 ZINC000426769747 239261431 /nfs/dbraw/zinc/26/14/31/239261431.db2.gz LPPLCJQSTIUVBO-AWEZNQCLSA-N -1 1 284.315 2.765 20 30 CFEDMM CC1(C)CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000443133268 241041834 /nfs/dbraw/zinc/04/18/34/241041834.db2.gz RSAZLQOVCXMXTK-LBPRGKRZSA-N -1 1 258.321 2.572 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1[O-] ZINC000443287071 241050195 /nfs/dbraw/zinc/05/01/95/241050195.db2.gz IVGXMAXZRHOTKA-SLEUVZQESA-N -1 1 284.359 2.962 20 30 CFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H]1CCC[C@@H](C)C1 ZINC000452086431 243039271 /nfs/dbraw/zinc/03/92/71/243039271.db2.gz XPMJYFVIPOZXCZ-GRYCIOLGSA-N -1 1 296.392 2.644 20 30 CFEDMM C[C@H]1CCC[C@H](CC[N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000330679433 203108401 /nfs/dbraw/zinc/10/84/01/203108401.db2.gz XPXOGZBJUVANRV-NWDGAFQWSA-N -1 1 296.392 2.646 20 30 CFEDMM COc1ccc(C(=O)Nc2cccc(C#N)c2)c([O-])c1 ZINC000011370658 371919509 /nfs/dbraw/zinc/91/95/09/371919509.db2.gz YUTDQSVMURSKEE-UHFFFAOYSA-N -1 1 268.272 2.525 20 30 CFEDMM C=CCCCCCN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000153292517 378484241 /nfs/dbraw/zinc/48/42/41/378484241.db2.gz JDBHBFQPJVWVHJ-UHFFFAOYSA-N -1 1 299.374 2.742 20 30 CFEDMM O=C(NCC1CCC(F)(F)CC1)c1ncccc1[O-] ZINC000330392276 378543997 /nfs/dbraw/zinc/54/39/97/378543997.db2.gz GVSKAXNRDJYRLY-UHFFFAOYSA-N -1 1 270.279 2.917 20 30 CFEDMM C[C@@H]1CC(CNC(=O)c2ccc(C#N)c([O-])c2)C[C@@H](C)O1 ZINC000330519543 378578312 /nfs/dbraw/zinc/57/83/12/378578312.db2.gz PPYNODQJBDOBDG-GHMZBOCLSA-N -1 1 288.347 2.772 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2C(F)F)cc1[O-] ZINC000334479568 379372101 /nfs/dbraw/zinc/37/21/01/379372101.db2.gz SIDWSYMBSZDYFF-NSHDSACASA-N -1 1 280.274 2.524 20 30 CFEDMM C[C@H](N(C)C(=O)c1ccc(C#N)c([O-])c1)C(C)(C)C ZINC000334608438 379615839 /nfs/dbraw/zinc/61/58/39/379615839.db2.gz VJIQVBKUCDONRG-JTQLQIEISA-N -1 1 260.337 2.770 20 30 CFEDMM C=CCC1([N-]S(=O)(=O)c2ccc(C#N)o2)CCCCC1 ZINC000451938647 383741155 /nfs/dbraw/zinc/74/11/55/383741155.db2.gz IJAAIRXNDYPPGG-UHFFFAOYSA-N -1 1 294.376 2.709 20 30 CFEDMM C=CC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000335150260 379984489 /nfs/dbraw/zinc/98/44/89/379984489.db2.gz SPWLBCGYSXBOOQ-UHFFFAOYSA-N -1 1 267.275 2.709 20 30 CFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000179028425 380502253 /nfs/dbraw/zinc/50/22/53/380502253.db2.gz ZVWPNBNDRRLCDX-UHFFFAOYSA-N -1 1 297.339 2.539 20 30 CFEDMM N#CCCN(Cc1ccco1)C(=O)c1ccc([O-])cc1F ZINC000181928316 380939451 /nfs/dbraw/zinc/93/94/51/380939451.db2.gz QYEKTBCWJVSNCV-UHFFFAOYSA-N -1 1 288.278 2.680 20 30 CFEDMM C=CCC1(C(=O)Nc2nc(C(=O)OCC)c[n-]2)CCCC1 ZINC000415632027 381864824 /nfs/dbraw/zinc/86/48/24/381864824.db2.gz REZYSZZQKCFKGP-UHFFFAOYSA-N -1 1 291.351 2.661 20 30 CFEDMM C=CCOCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000350814389 382018560 /nfs/dbraw/zinc/01/85/60/382018560.db2.gz PHQLKFDJJXKEGF-UHFFFAOYSA-N -1 1 278.283 2.717 20 30 CFEDMM C#CCSCC[NH2+]Cc1cccc([O-])c1Cl ZINC000293431592 382119716 /nfs/dbraw/zinc/11/97/16/382119716.db2.gz BECAJLVVSGNOSQ-UHFFFAOYSA-N -1 1 255.770 2.502 20 30 CFEDMM CCc1cc(=O)[n-]c(S[C@@H](C#N)C2CCCCC2)n1 ZINC000188112891 382346591 /nfs/dbraw/zinc/34/65/91/382346591.db2.gz ZTUSSRCBBZREMB-LBPRGKRZSA-N -1 1 277.393 2.897 20 30 CFEDMM N#Cc1ccc(C(=O)NC/C=C/c2ccccc2)cc1[O-] ZINC000188487558 382423567 /nfs/dbraw/zinc/42/35/67/382423567.db2.gz ARNQFBBPYWZNLS-QPJJXVBHSA-N -1 1 278.311 2.707 20 30 CFEDMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188534858 382430836 /nfs/dbraw/zinc/43/08/36/382430836.db2.gz YALWQXLONIGDDL-NWDGAFQWSA-N -1 1 272.348 2.915 20 30 CFEDMM CC[C@]1(C)CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188593247 382441673 /nfs/dbraw/zinc/44/16/73/382441673.db2.gz SXPRGPSSXOVDFI-MRXNPFEDSA-N -1 1 272.348 2.916 20 30 CFEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000307996548 382472489 /nfs/dbraw/zinc/47/24/89/382472489.db2.gz CESGGIUEKPCVCC-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000189460477 382612019 /nfs/dbraw/zinc/61/20/19/382612019.db2.gz MRRPBIBEQOSGAF-BXUZGUMPSA-N -1 1 272.348 2.962 20 30 CFEDMM Cc1ccccc1CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000189878646 382643617 /nfs/dbraw/zinc/64/36/17/382643617.db2.gz ADSIOFZNFVMNKQ-UHFFFAOYSA-N -1 1 280.327 2.545 20 30 CFEDMM C=CCN(C(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000221689016 382799370 /nfs/dbraw/zinc/79/93/70/382799370.db2.gz HLSOFTXDSMKYCB-UHFFFAOYSA-N -1 1 296.164 2.945 20 30 CFEDMM C[C@H](CCC1CC1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442794575 382958103 /nfs/dbraw/zinc/95/81/03/382958103.db2.gz ALOZSSGHVNXLBO-SNVBAGLBSA-N -1 1 258.321 2.572 20 30 CFEDMM CCC[C@H](C#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000539626774 382960803 /nfs/dbraw/zinc/96/08/03/382960803.db2.gz VPICPROHAXLERT-SECBINFHSA-N -1 1 286.253 2.833 20 30 CFEDMM C[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000457309799 383019150 /nfs/dbraw/zinc/01/91/50/383019150.db2.gz XVCDFOBACGSQRQ-BZNIZROVSA-N -1 1 272.348 2.962 20 30 CFEDMM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000457309798 383019385 /nfs/dbraw/zinc/01/93/85/383019385.db2.gz XVCDFOBACGSQRQ-BDJLRTHQSA-N -1 1 272.348 2.962 20 30 CFEDMM CC(C)N(CC1CC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000527191554 383462243 /nfs/dbraw/zinc/46/22/43/383462243.db2.gz CQQCXTIXGZPIHA-UHFFFAOYSA-N -1 1 258.321 2.524 20 30 CFEDMM CCc1cc(=O)[n-]c(SCC#Cc2ccccc2)n1 ZINC000436208396 383788691 /nfs/dbraw/zinc/78/86/91/383788691.db2.gz IPNBBWLUXHOIIM-UHFFFAOYSA-N -1 1 270.357 2.888 20 30 CFEDMM CC(C)(C#N)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436716390 383879248 /nfs/dbraw/zinc/87/92/48/383879248.db2.gz AJECJVANTDRUTH-UHFFFAOYSA-N -1 1 286.253 2.691 20 30 CFEDMM CC1(C)C[C@]1(C#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436805384 383895715 /nfs/dbraw/zinc/89/57/15/383895715.db2.gz DKDZSQIWAADVQB-CYBMUJFWSA-N -1 1 298.264 2.833 20 30 CFEDMM C=CCOc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000438914148 384029885 /nfs/dbraw/zinc/02/98/85/384029885.db2.gz UCIZMTPXSFTJLP-UHFFFAOYSA-N -1 1 297.310 2.778 20 30 CFEDMM C=CCCC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000279920737 384813058 /nfs/dbraw/zinc/81/30/58/384813058.db2.gz WFNJDTIOVZLNIQ-UHFFFAOYSA-N -1 1 295.191 2.633 20 30 CFEDMM C#C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(C)C ZINC000282328803 385284065 /nfs/dbraw/zinc/28/40/65/385284065.db2.gz YYMCJULUMFWMAX-GFCCVEGCSA-N -1 1 295.766 2.832 20 30 CFEDMM CC(C)CCN(CCC#N)C(=O)c1cc(F)ccc1[O-] ZINC000271343488 385379924 /nfs/dbraw/zinc/37/99/24/385379924.db2.gz WSUIUKHJWBGUAF-UHFFFAOYSA-N -1 1 278.327 2.933 20 30 CFEDMM COc1cc(C(=O)N[C@H](C#N)C(C)(C)C)cc(Cl)c1[O-] ZINC000135166263 413047669 /nfs/dbraw/zinc/04/76/69/413047669.db2.gz IOTALUFKNXOSQW-LLVKDONJSA-N -1 1 296.754 2.722 20 30 CFEDMM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)c1ccncn1 ZINC000354462165 533626356 /nfs/dbraw/zinc/62/63/56/533626356.db2.gz HIFGBFABKNBZDW-LBPRGKRZSA-N -1 1 276.299 2.756 20 30 CFEDMM C=CCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338351744 393784091 /nfs/dbraw/zinc/78/40/91/393784091.db2.gz CCTCQDFNZJRQFN-UHFFFAOYSA-N -1 1 262.696 2.510 20 30 CFEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1sccc1F ZINC000338997669 393808210 /nfs/dbraw/zinc/80/82/10/393808210.db2.gz KFWMBBLMBAYZMW-UHFFFAOYSA-N -1 1 277.386 2.768 20 30 CFEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H]1CC1(C)C ZINC000416276260 393894646 /nfs/dbraw/zinc/89/46/46/393894646.db2.gz MHSXFWUEXXTASI-OLZOCXBDSA-N -1 1 272.348 2.818 20 30 CFEDMM CC[C@](C)(C#N)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000351348046 393994992 /nfs/dbraw/zinc/99/49/92/393994992.db2.gz CEFYGMYTZDNSPC-OAHLLOKOSA-N -1 1 284.319 2.661 20 30 CFEDMM N#Cc1c(NCc2cccc([O-])c2Cl)n[nH]c1C1CC1 ZINC000419774422 394062960 /nfs/dbraw/zinc/06/29/60/394062960.db2.gz INBXTIOMMKNJRI-UHFFFAOYSA-N -1 1 288.738 2.552 20 30 CFEDMM CC(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1[O-] ZINC000436861665 394029489 /nfs/dbraw/zinc/02/94/89/394029489.db2.gz UNDXRNYBEGDGEN-UHFFFAOYSA-N -1 1 280.283 2.719 20 30 CFEDMM C=CCN(CCC#N)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000359389838 394131675 /nfs/dbraw/zinc/13/16/75/394131675.db2.gz MEKZAHFWHAGFEB-UHFFFAOYSA-N -1 1 294.738 2.596 20 30 CFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000451208899 394368906 /nfs/dbraw/zinc/36/89/06/394368906.db2.gz PAWSMZDZULMTCQ-SSDOTTSWSA-N -1 1 265.787 2.644 20 30 CFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000451208900 394369050 /nfs/dbraw/zinc/36/90/50/394369050.db2.gz PAWSMZDZULMTCQ-ZETCQYMHSA-N -1 1 265.787 2.644 20 30 CFEDMM O=C(NC[C@@H]1CC=CCC1)c1csc(=NC2CC2)[n-]1 ZINC000330115837 228042710 /nfs/dbraw/zinc/04/27/10/228042710.db2.gz ULMOQTYXUFHXRZ-SNVBAGLBSA-N -1 1 277.393 2.800 20 30 CFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188207026 262284543 /nfs/dbraw/zinc/28/45/43/262284543.db2.gz YHWMXTSMMHACQB-NSHDSACASA-N -1 1 266.300 2.755 20 30 CFEDMM N#CCCN(CCC#N)Cc1c([O-])cccc1Cl ZINC000272466030 263004813 /nfs/dbraw/zinc/00/48/13/263004813.db2.gz ZLUJGUOAPAUEKT-UHFFFAOYSA-N -1 1 263.728 2.675 20 30 CFEDMM CCOc1cc(C(=O)N(CC#N)C2CC2)cc(Cl)c1[O-] ZINC000274001280 263020768 /nfs/dbraw/zinc/02/07/68/263020768.db2.gz ZXEGAFSZUTXUOG-UHFFFAOYSA-N -1 1 294.738 2.572 20 30 CFEDMM CC[C@@](C)(C#N)c1nc(-c2ccc([O-])cc2F)no1 ZINC000289209613 263108274 /nfs/dbraw/zinc/10/82/74/263108274.db2.gz ZFOAGEORKPMWEQ-ZDUSSCGKSA-N -1 1 261.256 2.773 20 30 CFEDMM N#C[C@@H]1CC[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000295478435 263178040 /nfs/dbraw/zinc/17/80/40/263178040.db2.gz YMOGZAVXCXDVLU-RNFRBKRXSA-N -1 1 271.292 2.904 20 30 CFEDMM N#CCN(C(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000299452996 263242621 /nfs/dbraw/zinc/24/26/21/263242621.db2.gz RSDGWXLNXQZMCT-UHFFFAOYSA-N -1 1 266.300 2.674 20 30 CFEDMM Cc1cnc([C@@H](C)NC(=O)c2ncc(C)cc2[O-])s1 ZINC000331166095 264145321 /nfs/dbraw/zinc/14/53/21/264145321.db2.gz DVMXXIOUFQMCHB-SECBINFHSA-N -1 1 277.349 2.926 20 30 CFEDMM N#Cc1ccc(C(=O)NC2(CCO)CCCCC2)cc1[O-] ZINC000331275701 264170518 /nfs/dbraw/zinc/17/05/18/264170518.db2.gz NSZFOTUKEVGPKQ-UHFFFAOYSA-N -1 1 288.347 2.654 20 30 CFEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCOCC1 ZINC000331278071 264171369 /nfs/dbraw/zinc/17/13/69/264171369.db2.gz SGCURMOHCHCLHY-AWEZNQCLSA-N -1 1 288.347 2.774 20 30 CFEDMM NC(=O)C1CCC(NC(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000331248836 264180442 /nfs/dbraw/zinc/18/04/42/264180442.db2.gz USJZROYTYHFSGI-UHFFFAOYSA-N -1 1 290.319 2.625 20 30 CFEDMM N#Cc1ccc(C(=O)NCC2CCC(C#N)CC2)cc1[O-] ZINC000331297924 264198721 /nfs/dbraw/zinc/19/87/21/264198721.db2.gz ZMSHVUXKNZTHGL-UHFFFAOYSA-N -1 1 283.331 2.898 20 30 CFEDMM C=CCN(CC=C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000358906403 266506140 /nfs/dbraw/zinc/50/61/40/266506140.db2.gz OOJMUVHTHDFGQU-UHFFFAOYSA-N -1 1 281.739 2.868 20 30 CFEDMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188420981 277702122 /nfs/dbraw/zinc/70/21/22/277702122.db2.gz BQZQCSYLLVJPBN-GHMZBOCLSA-N -1 1 272.348 2.818 20 30 CFEDMM CC(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561504309 282056260 /nfs/dbraw/zinc/05/62/60/282056260.db2.gz KWKABIRMTSXUIH-QWHCGFSZSA-N -1 1 296.392 2.644 20 30 CFEDMM N#Cc1ccc(C(=O)NC2CCC3(CC3)CC2)cc1[O-] ZINC000567550617 290471022 /nfs/dbraw/zinc/47/10/22/290471022.db2.gz VELXSNRORBRJKV-UHFFFAOYSA-N -1 1 270.332 2.716 20 30 CFEDMM C[C@@](C#N)(NC(=O)c1ccc(C#N)c([O-])c1)C1CCCCC1 ZINC000571027209 327978162 /nfs/dbraw/zinc/97/81/62/327978162.db2.gz SUSWBDSBSCJWOG-KRWDZBQOSA-N -1 1 297.358 2.856 20 30 CFEDMM C[C@H](CCC#N)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000278602824 328228068 /nfs/dbraw/zinc/22/80/68/328228068.db2.gz LYICVROUSDNAPR-SECBINFHSA-N -1 1 276.365 2.521 20 30 CFEDMM CN(Cc1cccc(F)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188220735 324010984 /nfs/dbraw/zinc/01/09/84/324010984.db2.gz BKBWSJZXPLGUAF-UHFFFAOYSA-N -1 1 284.290 2.675 20 30 CFEDMM CS[C@H]1CCCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188702653 324019564 /nfs/dbraw/zinc/01/95/64/324019564.db2.gz XBKDQUXNJPSARG-ZDUSSCGKSA-N -1 1 290.388 2.622 20 30 CFEDMM N#Cc1ccc(C(=O)NC(C2CCC2)C2CCC2)cc1[O-] ZINC000577310693 324722118 /nfs/dbraw/zinc/72/21/18/324722118.db2.gz GLUPLLMKRVCLLF-UHFFFAOYSA-N -1 1 284.359 2.962 20 30 CFEDMM C=C(C)CC[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425183110 329624280 /nfs/dbraw/zinc/62/42/80/329624280.db2.gz FOJMAXYAKIPYFA-UHFFFAOYSA-N -1 1 275.320 2.518 20 30 CFEDMM C#CCN(CC#CC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000490922483 332129442 /nfs/dbraw/zinc/12/94/42/332129442.db2.gz DXZNEPQZDPPAMJ-UHFFFAOYSA-N -1 1 295.260 2.510 20 30 CFEDMM C#C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000491802082 332356423 /nfs/dbraw/zinc/35/64/23/332356423.db2.gz FKILINSBICZRLJ-OAHLLOKOSA-N -1 1 294.285 2.507 20 30 CFEDMM N#CC1(CSc2nc(C3CC3)cc(=O)[n-]2)CCC1 ZINC000556267139 334505164 /nfs/dbraw/zinc/50/51/64/334505164.db2.gz XTTBOPDKSIESDF-UHFFFAOYSA-N -1 1 261.350 2.846 20 30 CFEDMM N#CC(=C([O-])c1ccccc1OC1CC1)c1ccncn1 ZINC000577271900 335332869 /nfs/dbraw/zinc/33/28/69/335332869.db2.gz GOVHFDXJGZZNLW-CYBMUJFWSA-N -1 1 279.299 2.508 20 30 CFEDMM N#CCOc1ccc(-c2ccc([O-])c(F)c2F)nc1 ZINC001243339867 782144493 /nfs/dbraw/zinc/14/44/93/782144493.db2.gz SIEIVRPDCWNKGI-UHFFFAOYSA-N -1 1 262.215 2.635 20 30 CFEDMM C[C@H](C#N)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730361489 574077112 /nfs/dbraw/zinc/07/71/12/574077112.db2.gz CBRNRKUOVMZICO-RXMQYKEDSA-N -1 1 260.076 2.768 20 30 CFEDMM N#CC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCC1 ZINC000335022582 534547992 /nfs/dbraw/zinc/54/79/92/534547992.db2.gz XGNMKZSVOAHANH-UHFFFAOYSA-N -1 1 266.247 2.693 20 30 CFEDMM CCc1noc(C)c1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC000339313568 522877310 /nfs/dbraw/zinc/87/73/10/522877310.db2.gz GQAXYZIQCLPLTO-UHFFFAOYSA-N -1 1 290.710 2.718 20 30 CFEDMM C=CCC(C)(C)CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000352511415 527014816 /nfs/dbraw/zinc/01/48/16/527014816.db2.gz RYDUOJODWFKJCF-UHFFFAOYSA-N -1 1 258.321 2.596 20 30 CFEDMM CCC(CC)n1nc(C)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354464805 528906007 /nfs/dbraw/zinc/90/60/07/528906007.db2.gz JHHFDOAZGSNNJY-CYBMUJFWSA-N -1 1 297.362 2.833 20 30 CFEDMM C[C@H](CC#N)N(C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736540003 574059075 /nfs/dbraw/zinc/05/90/75/574059075.db2.gz BFHNVCLCEPSWEF-LLVKDONJSA-N -1 1 298.342 2.978 20 30 CFEDMM CC(C)(C)C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000755726747 574181369 /nfs/dbraw/zinc/18/13/69/574181369.db2.gz PBMLVDWNDIXBND-UHFFFAOYSA-N -1 1 290.371 2.731 20 30 CFEDMM COC(=O)c1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)[nH]1 ZINC000748440818 574252687 /nfs/dbraw/zinc/25/26/87/574252687.db2.gz OCSDSYCSAYMWNT-DHZHZOJOSA-N -1 1 297.310 2.719 20 30 CFEDMM CC(C)(C)[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756748023 574260757 /nfs/dbraw/zinc/26/07/57/574260757.db2.gz PIJVWNYERZNOOD-LLVKDONJSA-N -1 1 287.335 2.679 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cccc(F)c1 ZINC000756901105 574271573 /nfs/dbraw/zinc/27/15/73/574271573.db2.gz KEJWJGGMVFTULM-UHFFFAOYSA-N -1 1 288.278 2.979 20 30 CFEDMM O=C([O-])c1ccc(C=NNc2ccc(C(F)(F)F)cn2)[nH]1 ZINC000749812999 574310843 /nfs/dbraw/zinc/31/08/43/574310843.db2.gz VPJURLIZRVYBNJ-UHFFFAOYSA-N -1 1 298.224 2.573 20 30 CFEDMM C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739052668 574329313 /nfs/dbraw/zinc/32/93/13/574329313.db2.gz HTYGZFGWMAAHKI-WFASDCNBSA-N -1 1 287.363 2.693 20 30 CFEDMM C=C(C)COC(=O)c1ccc(Br)c([O-])c1 ZINC000750549583 574347354 /nfs/dbraw/zinc/34/73/54/574347354.db2.gz CEGUGNCHIIJYCX-UHFFFAOYSA-N -1 1 271.110 2.888 20 30 CFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(C#N)s1 ZINC000750683642 574350942 /nfs/dbraw/zinc/35/09/42/574350942.db2.gz HTJZWCOXZAKOBU-LBPRGKRZSA-N -1 1 295.323 2.581 20 30 CFEDMM CCOC1(C(=O)N([O-])Cc2ccc(F)cc2)CCC1 ZINC000900095103 620637045 /nfs/dbraw/zinc/63/70/45/620637045.db2.gz XEJSGBUZDGGIFT-UHFFFAOYSA-N -1 1 267.300 2.503 20 30 CFEDMM N#CCCCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822807139 599526790 /nfs/dbraw/zinc/52/67/90/599526790.db2.gz ZPFARGUNRGTQGG-UHFFFAOYSA-N -1 1 293.334 2.521 20 30 CFEDMM N#CCCCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822807139 599526793 /nfs/dbraw/zinc/52/67/93/599526793.db2.gz ZPFARGUNRGTQGG-UHFFFAOYSA-N -1 1 293.334 2.521 20 30 CFEDMM N#Cc1cccc([C@@H](NCc2ccccc2F)C(=O)[O-])c1 ZINC000833075954 601297954 /nfs/dbraw/zinc/29/79/54/601297954.db2.gz OSJRKHLVSCOSHD-OAHLLOKOSA-N -1 1 284.290 2.613 20 30 CFEDMM CC(C)C[C@H](C#N)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900508318 620684221 /nfs/dbraw/zinc/68/42/21/620684221.db2.gz AVKGROMJSUSRLH-GFCCVEGCSA-N -1 1 298.342 2.919 20 30 CFEDMM C=CCN(CCc1ccco1)Cc1cc(C(=O)[O-])co1 ZINC000833374661 605476888 /nfs/dbraw/zinc/47/68/88/605476888.db2.gz WRQNFCIJRSJQDH-UHFFFAOYSA-N -1 1 275.304 2.802 20 30 CFEDMM CCCCCN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825266422 607887931 /nfs/dbraw/zinc/88/79/31/607887931.db2.gz FXQAUCOBLLNIHB-UHFFFAOYSA-N -1 1 277.332 2.566 20 30 CFEDMM C=CCOc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000823931828 607900617 /nfs/dbraw/zinc/90/06/17/607900617.db2.gz GQUWVSYJOWRTIB-UHFFFAOYSA-N -1 1 295.302 2.619 20 30 CFEDMM C=CCOc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000823931828 607900618 /nfs/dbraw/zinc/90/06/18/607900618.db2.gz GQUWVSYJOWRTIB-UHFFFAOYSA-N -1 1 295.302 2.619 20 30 CFEDMM CC(C)[C@H](C#N)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900634831 620697524 /nfs/dbraw/zinc/69/75/24/620697524.db2.gz NSJCXCIBTSJORB-AWEZNQCLSA-N -1 1 284.315 2.529 20 30 CFEDMM CCCC1N=NC(=S)N1N=Cc1c(C)ccc(F)c1[O-] ZINC000901239572 620769874 /nfs/dbraw/zinc/76/98/74/620769874.db2.gz RZHWFFQHMMYQRU-UHFFFAOYSA-N -1 1 294.355 2.555 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NN[C@H]1CCOC(C)(C)C1 ZINC000901222542 620773553 /nfs/dbraw/zinc/77/35/53/620773553.db2.gz KOFCJRQAKYOTGW-NSHDSACASA-N -1 1 280.343 2.721 20 30 CFEDMM C=CCCN(OCc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000190265988 618118418 /nfs/dbraw/zinc/11/84/18/618118418.db2.gz SVVBSLFZRVIUDB-UHFFFAOYSA-N -1 1 298.342 2.937 20 30 CFEDMM C[C@H]1CC(NN=Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000901300738 620779806 /nfs/dbraw/zinc/77/98/06/620779806.db2.gz TWLNHAQSGSZREH-IUCAKERBSA-N -1 1 284.306 2.550 20 30 CFEDMM C[C@H]1CC(NN=Cc2cccc([O-])c2Cl)C[C@H](C)O1 ZINC000901305220 620781209 /nfs/dbraw/zinc/78/12/09/620781209.db2.gz XSWHPPIJYFYTSD-UWVGGRQHSA-N -1 1 282.771 2.925 20 30 CFEDMM CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1c([O-])cccc1F ZINC000901298822 620785663 /nfs/dbraw/zinc/78/56/63/620785663.db2.gz IODOWVFKFHUYAY-NXEZZACHSA-N -1 1 280.343 2.801 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2cnc3ccccn23)c1 ZINC000255366508 618214520 /nfs/dbraw/zinc/21/45/20/618214520.db2.gz VOQQEHGQHIDXRT-ALCCZGGFSA-N -1 1 294.310 2.945 20 30 CFEDMM Cc1ccc(N=NCc2ccc(OCCC(=O)[O-])cc2)nc1 ZINC000727260067 618476165 /nfs/dbraw/zinc/47/61/65/618476165.db2.gz PRVSLVSUUJEVTO-UHFFFAOYSA-N -1 1 299.330 2.690 20 30 CFEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccccc1[O-] ZINC000182131529 618890659 /nfs/dbraw/zinc/89/06/59/618890659.db2.gz WWNOUUHYBBMASC-NSHDSACASA-N -1 1 282.299 2.935 20 30 CFEDMM C#CCCc1cc(=O)n(-c2ccc(SC)cc2)[n-]1 ZINC000899349133 620549752 /nfs/dbraw/zinc/54/97/52/620549752.db2.gz VJSRCEWYXBZOGY-UHFFFAOYSA-N -1 1 258.346 2.915 20 30 CFEDMM Cn1cc(/C=C/C(=O)c2cc(O)ccc2[O-])c(C2CC2)n1 ZINC000899362318 620553172 /nfs/dbraw/zinc/55/31/72/620553172.db2.gz PXMVHZHZUQUMCW-GQCTYLIASA-N -1 1 284.315 2.605 20 30 CFEDMM C[C@H](N[C@@H](c1ncccn1)C1CC1)c1cccc(C#N)c1[O-] ZINC000903323484 621323522 /nfs/dbraw/zinc/32/35/22/621323522.db2.gz NIINZAWZKBFDFP-XHDPSFHLSA-N -1 1 294.358 2.856 20 30 CFEDMM C=C(CC)CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903920112 621473064 /nfs/dbraw/zinc/47/30/64/621473064.db2.gz BDVKWXJMIMLNER-UHFFFAOYSA-N -1 1 261.321 2.545 20 30 CFEDMM C=CCCCN(CC)Cc1nc(C(=O)[O-])cs1 ZINC000903961160 621481260 /nfs/dbraw/zinc/48/12/60/621481260.db2.gz NPMFHUDBOVJMMO-UHFFFAOYSA-N -1 1 254.355 2.629 20 30 CFEDMM CCCCN(O)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000904215942 621551610 /nfs/dbraw/zinc/55/16/10/621551610.db2.gz RHXKARRCBLWEPK-UHFFFAOYSA-N -1 1 257.717 2.606 20 30 CFEDMM CCCCN(O)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000904215945 621551667 /nfs/dbraw/zinc/55/16/67/621551667.db2.gz RJGOCSZVGYDNBH-UHFFFAOYSA-N -1 1 275.304 2.883 20 30 CFEDMM N#CC1(C(=O)Nc2cccc([O-])c2Br)CCC1 ZINC000908712681 622267551 /nfs/dbraw/zinc/26/75/51/622267551.db2.gz ITFIODYJIVFNEZ-UHFFFAOYSA-N -1 1 295.136 2.787 20 30 CFEDMM C=CCCC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)[O-] ZINC000910913968 622486276 /nfs/dbraw/zinc/48/62/76/622486276.db2.gz AHPPZRBUVYJSGE-LLVKDONJSA-N -1 1 297.738 2.585 20 30 CFEDMM C=CCCO[C@@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984332 622495175 /nfs/dbraw/zinc/49/51/75/622495175.db2.gz NJLPHNHLHKFQNQ-QMMMGPOBSA-N -1 1 271.263 2.590 20 30 CFEDMM N#CC1(C(=O)Nc2cc(F)cc(F)c2[O-])CC2(CC2)C1 ZINC000910992088 622497008 /nfs/dbraw/zinc/49/70/08/622497008.db2.gz XCCVTINPOLTXNF-UHFFFAOYSA-N -1 1 278.258 2.693 20 30 CFEDMM C#C[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000912049333 622619048 /nfs/dbraw/zinc/61/90/48/622619048.db2.gz UZYBTUBEDAWALP-LLVKDONJSA-N -1 1 298.317 2.565 20 30 CFEDMM C#CC[C@@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000912986048 622813113 /nfs/dbraw/zinc/81/31/13/622813113.db2.gz QURGKKULCHZKGW-LLVKDONJSA-N -1 1 298.317 2.565 20 30 CFEDMM C#Cc1cccc(N(CC)C(=O)c2ccc(O)cc2[O-])c1 ZINC000171194129 623210578 /nfs/dbraw/zinc/21/05/78/623210578.db2.gz DJXMAZZULFRJEF-UHFFFAOYSA-N -1 1 281.311 2.746 20 30 CFEDMM CC(=NNCCC(C)(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC000823953826 623424516 /nfs/dbraw/zinc/42/45/16/623424516.db2.gz RPIUBIJUUPFIQO-UHFFFAOYSA-N -1 1 292.412 2.678 20 30 CFEDMM C=CC(C)(C)CCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000913796126 623591755 /nfs/dbraw/zinc/59/17/55/623591755.db2.gz UBSLYSXYAZUSMZ-UHFFFAOYSA-N -1 1 289.379 2.782 20 30 CFEDMM N#Cc1nc(NC(=O)/C(F)=C\C2CCCCC2)[n-]c1C#N ZINC000825431948 623693157 /nfs/dbraw/zinc/69/31/57/623693157.db2.gz FXVIKWZPNYTJQH-UXBLZVDNSA-N -1 1 287.298 2.525 20 30 CFEDMM N#CC1(C(=O)Nc2cccc(F)c2[O-])CCSCC1 ZINC000827448397 624007278 /nfs/dbraw/zinc/00/72/78/624007278.db2.gz SXNMSLZYPQZPMC-UHFFFAOYSA-N -1 1 280.324 2.507 20 30 CFEDMM Cc1cc(Br)c([O-])c(C=NNC23CC(C2)C3)c1 ZINC000842546090 624128866 /nfs/dbraw/zinc/12/88/66/624128866.db2.gz CXCMTLKSGNYDLI-UHFFFAOYSA-N -1 1 295.180 2.939 20 30 CFEDMM CCCCNN=Cc1ccc([O-])c(Br)c1 ZINC000915965911 624203582 /nfs/dbraw/zinc/20/35/82/624203582.db2.gz GLUDQOZODJEHBS-UHFFFAOYSA-N -1 1 271.158 2.878 20 30 CFEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(OC)cc1 ZINC000916241571 624230841 /nfs/dbraw/zinc/23/08/41/624230841.db2.gz LLZZFTKCLIVTBR-UHFFFAOYSA-N -1 1 286.335 2.725 20 30 CFEDMM CC(C)CNN=Cc1ccc([O-])c(Br)c1 ZINC000916365510 624241866 /nfs/dbraw/zinc/24/18/66/624241866.db2.gz BKHRBTIMJAZNHH-UHFFFAOYSA-N -1 1 271.158 2.734 20 30 CFEDMM C=C1CCC(CNC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000830994930 624949924 /nfs/dbraw/zinc/94/99/24/624949924.db2.gz VDKZNTLQCZMFBF-UHFFFAOYSA-N -1 1 270.332 2.740 20 30 CFEDMM C#Cc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181091024 625059153 /nfs/dbraw/zinc/05/91/53/625059153.db2.gz ZDZDZIQKMWIUHN-UHFFFAOYSA-N -1 1 255.248 2.765 20 30 CFEDMM C=C(C)CC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000832130125 625226825 /nfs/dbraw/zinc/22/68/25/625226825.db2.gz IRRCNOZYKORIHJ-UHFFFAOYSA-N -1 1 295.191 2.633 20 30 CFEDMM C#CCCCNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000834664866 625768573 /nfs/dbraw/zinc/76/85/73/625768573.db2.gz WQYBWUIXZGAKQT-UHFFFAOYSA-N -1 1 298.308 2.999 20 30 CFEDMM CC(C)ON=Cc1ccc([O-])c(Br)c1 ZINC000835004199 625952813 /nfs/dbraw/zinc/95/28/13/625952813.db2.gz IZEGPJYIABOYGI-UHFFFAOYSA-N -1 1 258.115 2.914 20 30 CFEDMM CC1(C)OCC[C@H]1NN=Cc1cc(Cl)c(F)cc1[O-] ZINC000835020035 625965482 /nfs/dbraw/zinc/96/54/82/625965482.db2.gz CUXNZCQBQMSADE-GFCCVEGCSA-N -1 1 286.734 2.676 20 30 CFEDMM CCCON=Cc1cc(O)cc(Br)c1[O-] ZINC000842553624 625975364 /nfs/dbraw/zinc/97/53/64/625975364.db2.gz JKOPNNAATLGTGE-UHFFFAOYSA-N -1 1 274.114 2.621 20 30 CFEDMM N#CC[C@H](NCc1cccc([O-])c1Cl)C(F)(F)F ZINC000922647576 626331465 /nfs/dbraw/zinc/33/14/65/626331465.db2.gz OVAOKJTYCOBYQA-VIFPVBQESA-N -1 1 278.661 2.980 20 30 CFEDMM CC(N=Nc1ccc(F)cn1)c1ccccc1C(=O)[O-] ZINC000757465689 626552818 /nfs/dbraw/zinc/55/28/18/626552818.db2.gz VDHNJPSOMXKBLU-UHFFFAOYSA-N -1 1 273.267 2.755 20 30 CFEDMM O=[N+]([O-])c1cccnc1N=NCc1ccc([O-])c(Cl)c1 ZINC000759204613 626636633 /nfs/dbraw/zinc/63/66/33/626636633.db2.gz GAYNONKBEHVLSZ-UHFFFAOYSA-N -1 1 292.682 2.795 20 30 CFEDMM CCc1cccc(C(=O)Nc2ncc(C#N)s2)c1[O-] ZINC000759626727 626677497 /nfs/dbraw/zinc/67/74/97/626677497.db2.gz LOIATLSRQWUSKT-UHFFFAOYSA-N -1 1 273.317 2.535 20 30 CFEDMM Cc1cc2cn[nH]c2c(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000759713200 626686648 /nfs/dbraw/zinc/68/66/48/626686648.db2.gz JYYLZOPMSNJUDK-UHFFFAOYSA-N -1 1 292.298 2.701 20 30 CFEDMM N#CC(=C([O-])C=Cc1ccccc1F)c1ccncn1 ZINC000760356530 626739459 /nfs/dbraw/zinc/73/94/59/626739459.db2.gz HZVSUHCYZHKHRY-FJOGCWAESA-N -1 1 267.263 2.505 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2csc(C3CC3)n2)nc1 ZINC000763372049 626983365 /nfs/dbraw/zinc/98/33/65/626983365.db2.gz PHNGGVFRYORYPS-UHFFFAOYSA-N -1 1 288.332 2.560 20 30 CFEDMM O=C([O-])c1ccc(N=NCc2cscc2Cl)nc1 ZINC000763371742 626983487 /nfs/dbraw/zinc/98/34/87/626983487.db2.gz KRBQAAPEWWMGTD-UHFFFAOYSA-N -1 1 281.724 2.941 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2ccc(F)cc2F)nc1 ZINC000763369460 626983649 /nfs/dbraw/zinc/98/36/49/626983649.db2.gz GHYCYNWFJCHFPA-UHFFFAOYSA-N -1 1 277.230 2.504 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(Cl)cc2C)n1 ZINC000767352103 627244550 /nfs/dbraw/zinc/24/45/50/627244550.db2.gz OFBCOOQRLSNLHT-UHFFFAOYSA-N -1 1 276.727 2.898 20 30 CFEDMM C#CCCN(CC(F)(F)F)C(=O)c1ccc([O-])cc1F ZINC000768614152 627358429 /nfs/dbraw/zinc/35/84/29/627358429.db2.gz INECWRKCJGQZNF-UHFFFAOYSA-N -1 1 289.228 2.559 20 30 CFEDMM CC(=NN=c1cc[nH]cc1Cl)c1sccc1[O-] ZINC000769794873 627475137 /nfs/dbraw/zinc/47/51/37/627475137.db2.gz WXTUOENZSUZWFS-UHFFFAOYSA-N -1 1 267.741 2.760 20 30 CFEDMM COc1c([O-])c(C=NOC2CCCC2)ccc1[N+](=O)[O-] ZINC000773080249 627780543 /nfs/dbraw/zinc/78/05/43/627780543.db2.gz SCFCXNQRIDSJQC-UHFFFAOYSA-N -1 1 280.280 2.602 20 30 CFEDMM Cc1ccc(N(C)C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776643192 628166412 /nfs/dbraw/zinc/16/64/12/628166412.db2.gz DJXDSAVHZJINOZ-UHFFFAOYSA-N -1 1 266.300 2.849 20 30 CFEDMM C#CC(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776704843 628170172 /nfs/dbraw/zinc/17/01/72/628170172.db2.gz CFSRUOAFWAZJLE-UHFFFAOYSA-N -1 1 271.238 2.553 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)C(=NOCCC(F)(F)F)O2 ZINC000777460390 628228274 /nfs/dbraw/zinc/22/82/74/628228274.db2.gz OMYOQRZFDHZSPJ-UHFFFAOYSA-N -1 1 289.209 2.558 20 30 CFEDMM CC[C@@H](C#N)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000781184626 628530557 /nfs/dbraw/zinc/53/05/57/628530557.db2.gz ZARVSKQRJZRKAT-ZETCQYMHSA-N -1 1 257.648 2.644 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC2CC(c3cccc(F)c3)C2)n1 ZINC000781575398 628561512 /nfs/dbraw/zinc/56/15/12/628561512.db2.gz STQUQSYGWILGTD-UHFFFAOYSA-N -1 1 286.310 2.975 20 30 CFEDMM Cc1cccc(C)c1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000785615036 628898784 /nfs/dbraw/zinc/89/87/84/628898784.db2.gz YZONVPCBMZNJLZ-UHFFFAOYSA-N -1 1 280.327 2.811 20 30 CFEDMM CC(=NNc1ccccn1)c1cc(C(=O)[O-])ccc1C ZINC000788415512 629064992 /nfs/dbraw/zinc/06/49/92/629064992.db2.gz QQUUMHZKRLFKSJ-UHFFFAOYSA-N -1 1 269.304 2.924 20 30 CFEDMM [O-]c1c(C=NN[C@H]2CCOC2)cc(Cl)c2ccccc12 ZINC000788452130 629068807 /nfs/dbraw/zinc/06/88/07/629068807.db2.gz JRIJRXOJODITPX-NSHDSACASA-N -1 1 290.750 2.911 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1coc(C)n1 ZINC000789033291 629119339 /nfs/dbraw/zinc/11/93/39/629119339.db2.gz GNLBICOPHKNVJE-UHFFFAOYSA-N -1 1 289.291 2.526 20 30 CFEDMM Cc1ccc2nc(/C=C/C(=O)c3cc(O)ccc3[O-])cn2c1 ZINC000789144575 629129726 /nfs/dbraw/zinc/12/97/26/629129726.db2.gz VSAZHFOBPKJJIH-HWKANZROSA-N -1 1 294.310 2.950 20 30 CFEDMM C#CCCCCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790050791 629205738 /nfs/dbraw/zinc/20/57/38/629205738.db2.gz JDVUSCJAYBQSTF-UHFFFAOYSA-N -1 1 266.728 2.963 20 30 CFEDMM C#C[C@H](CCC)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000791738477 629349977 /nfs/dbraw/zinc/34/99/77/629349977.db2.gz RJAKPBFLLYNZGX-SECBINFHSA-N -1 1 287.256 2.975 20 30 CFEDMM CC(C)n1nccc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000794941615 629707615 /nfs/dbraw/zinc/70/76/15/629707615.db2.gz SJZKUVSWCZHSOV-HYXAFXHYSA-N -1 1 272.304 2.771 20 30 CFEDMM C=CCNN=Cc1cc(C)cc(Br)c1[O-] ZINC000794999617 629720348 /nfs/dbraw/zinc/72/03/48/629720348.db2.gz NPHJWDFDCPRPOX-UHFFFAOYSA-N -1 1 269.142 2.573 20 30 CFEDMM CCC(=NOCCCOC)c1ccc([O-])c(F)c1 ZINC000795044835 629728859 /nfs/dbraw/zinc/72/88/59/629728859.db2.gz PNADXPAMLGZMAP-UHFFFAOYSA-N -1 1 255.289 2.699 20 30 CFEDMM COc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])ccc1C#N ZINC000799496978 630315773 /nfs/dbraw/zinc/31/57/73/630315773.db2.gz BXGKIHWNQVXCPM-UTCJRWHESA-N -1 1 295.294 2.874 20 30 CFEDMM COCCCON=Cc1cccc([O-])c1Br ZINC000841637182 631440174 /nfs/dbraw/zinc/44/01/74/631440174.db2.gz FZFPXVOUBLUJIJ-UHFFFAOYSA-N -1 1 288.141 2.542 20 30 CFEDMM CCN(CCO)N=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000842536897 631656550 /nfs/dbraw/zinc/65/65/50/631656550.db2.gz DYDFZCYRTUOQHN-UHFFFAOYSA-N -1 1 292.766 2.847 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ncc(C(C)(C)C)s2)n1 ZINC000814682507 632107854 /nfs/dbraw/zinc/10/78/54/632107854.db2.gz LAKOEHOSJBBJEB-UHFFFAOYSA-N -1 1 291.380 2.691 20 30 CFEDMM Cc1sccc1C=NNc1ccc(C(=O)[O-])cn1 ZINC000814889935 632151138 /nfs/dbraw/zinc/15/11/38/632151138.db2.gz FBOJOGPOBZVHSB-UHFFFAOYSA-N -1 1 261.306 2.596 20 30 CFEDMM O=C([O-])c1cc(CN=Nc2ccc(F)c(F)c2F)c[nH]1 ZINC000814944899 632176936 /nfs/dbraw/zinc/17/69/36/632176936.db2.gz BOPMTDSXNWSNKC-UHFFFAOYSA-N -1 1 283.209 2.576 20 30 CFEDMM C=C[C@H](C)ONC(=O)N=c1nc(SCCC)[n-]s1 ZINC000844560098 632246484 /nfs/dbraw/zinc/24/64/84/632246484.db2.gz ZLTFUBWSJQQXHJ-ZETCQYMHSA-N -1 1 288.398 2.668 20 30 CFEDMM C=C(C)CO[N-]C(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000846534797 632724080 /nfs/dbraw/zinc/72/40/80/632724080.db2.gz BQYVOZRLNDNHOI-LBPRGKRZSA-N -1 1 272.348 2.906 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1ccccc1OC(C)C ZINC000846550686 632738344 /nfs/dbraw/zinc/73/83/44/632738344.db2.gz OJIULONSUGBKCY-GFCCVEGCSA-N -1 1 263.337 2.639 20 30 CFEDMM C=CCC1(C(=O)[N-]OC2CCCCC2)CCOCC1 ZINC000819504463 633189928 /nfs/dbraw/zinc/18/99/28/633189928.db2.gz VBGBLEWKGXTDMM-UHFFFAOYSA-N -1 1 267.369 2.740 20 30 CFEDMM C=CCC1(C(=O)Nc2nc(Cl)ccc2[O-])CCOCC1 ZINC000819509130 633192259 /nfs/dbraw/zinc/19/22/59/633192259.db2.gz AKTNWQLUIVDLDA-UHFFFAOYSA-N -1 1 296.754 2.752 20 30 CFEDMM C=CCO[N-]C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000848200247 633217103 /nfs/dbraw/zinc/21/71/03/633217103.db2.gz JNRQHHWGJLFRBL-LBPRGKRZSA-N -1 1 267.712 2.535 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000848244662 633223335 /nfs/dbraw/zinc/22/33/35/633223335.db2.gz BOPWJHHPSLHOBD-ZANVPECISA-N -1 1 281.739 2.924 20 30 CFEDMM CSCCON=Cc1ccc(Br)cc1[O-] ZINC000853341483 634976612 /nfs/dbraw/zinc/97/66/12/634976612.db2.gz QCKYOHXBCKUZTG-UHFFFAOYSA-N -1 1 290.182 2.868 20 30 CFEDMM C#CC[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000855008047 635440459 /nfs/dbraw/zinc/44/04/59/635440459.db2.gz WSUZMIXUWZFJTR-CYBMUJFWSA-N -1 1 294.354 2.816 20 30 CFEDMM C=CCCO[N-]C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000856033893 635708654 /nfs/dbraw/zinc/70/86/54/635708654.db2.gz VQYGVIULMDSLKE-ZDUSSCGKSA-N -1 1 251.301 2.943 20 30 CFEDMM C=CCCONC(=O)c1ccc(OCCCC)cc1[O-] ZINC000856033934 635709158 /nfs/dbraw/zinc/70/91/58/635709158.db2.gz XDFBYTHENZYWIZ-UHFFFAOYSA-N -1 1 279.336 2.809 20 30 CFEDMM C=CCCSCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858624998 636311915 /nfs/dbraw/zinc/31/19/15/636311915.db2.gz ZWRURGWJEABQAV-UHFFFAOYSA-N -1 1 259.762 2.557 20 30 CFEDMM C=CC[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858624885 636312183 /nfs/dbraw/zinc/31/21/83/636312183.db2.gz MKXBDVNAEXPAMZ-VIFPVBQESA-N -1 1 253.733 2.628 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1coc2ccc(C)cc12 ZINC000862132697 637278500 /nfs/dbraw/zinc/27/85/00/637278500.db2.gz JUSJZSRDWQQVIJ-NSHDSACASA-N -1 1 259.305 2.906 20 30 CFEDMM Cc1oc2ccccc2c1C=NNc1nc(C)cc(=O)[n-]1 ZINC000864127622 637885823 /nfs/dbraw/zinc/88/58/23/637885823.db2.gz YPQOHDRFJNUCLR-UHFFFAOYSA-N -1 1 282.303 2.991 20 30 CFEDMM C=C(C)C[C@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000864531102 638014547 /nfs/dbraw/zinc/01/45/47/638014547.db2.gz VFQPQOUTCRTAFD-NSHDSACASA-N -1 1 282.409 2.950 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cn(C2CC2)cn1 ZINC000865223432 638227645 /nfs/dbraw/zinc/22/76/45/638227645.db2.gz ICCLTDCTCAOYBV-IZZDOVSWSA-N -1 1 266.300 2.746 20 30 CFEDMM N#Cc1ccc2ncc(C=C3SC(=S)[N-]C3=O)n2c1 ZINC000078007475 650469060 /nfs/dbraw/zinc/46/90/60/650469060.db2.gz ZAUCSXWGQDTPOW-YCRREMRBSA-N -1 1 286.341 2.535 20 30 CFEDMM CN(C(=O)c1c([O-])cccc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000870670718 639761957 /nfs/dbraw/zinc/76/19/57/639761957.db2.gz AJOVCXZSOOABAR-MWLCHTKSSA-N -1 1 278.739 2.810 20 30 CFEDMM CCC[C@H]1C[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)CCO1 ZINC000870691291 639773683 /nfs/dbraw/zinc/77/36/83/639773683.db2.gz IGCAXOMYHXVJFT-KBPBESRZSA-N -1 1 288.347 2.564 20 30 CFEDMM C[C@@H]1CCCC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690441 639773717 /nfs/dbraw/zinc/77/37/17/639773717.db2.gz OSYGCTFOXZHRHL-RISCZKNCSA-N -1 1 258.321 2.795 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1cnccc1C(F)(F)F ZINC000872010683 641545824 /nfs/dbraw/zinc/54/58/24/641545824.db2.gz CUPKLQDIYPTJPI-UHFFFAOYSA-N -1 1 294.298 2.808 20 30 CFEDMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000874478104 642398686 /nfs/dbraw/zinc/39/86/86/642398686.db2.gz ONSPCDXFZIERCR-CYBMUJFWSA-N -1 1 298.264 2.678 20 30 CFEDMM N#CC1(CNC(=O)NCc2ccc([O-])c(Cl)c2)CCC1 ZINC000875675443 642663701 /nfs/dbraw/zinc/66/37/01/642663701.db2.gz YWLHZHOYLRMSAS-UHFFFAOYSA-N -1 1 293.754 2.539 20 30 CFEDMM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000125910733 642848921 /nfs/dbraw/zinc/84/89/21/642848921.db2.gz BLBUUNXRRUTVCJ-NSHDSACASA-N -1 1 276.299 2.756 20 30 CFEDMM C#C[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(C)C ZINC000304161491 651016079 /nfs/dbraw/zinc/01/60/79/651016079.db2.gz HUPBBSMWYCWGBS-LLVKDONJSA-N -1 1 296.164 2.542 20 30 CFEDMM CC(=NN[C@H]1CCOC(C)(C)C1)c1c([O-])cccc1F ZINC000884452384 646366563 /nfs/dbraw/zinc/36/65/63/646366563.db2.gz OGSMMINCCSJLAS-NSHDSACASA-N -1 1 280.343 2.803 20 30 CFEDMM N#C[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000928229934 648880620 /nfs/dbraw/zinc/88/06/20/648880620.db2.gz WHVRMHOAGKAFDA-GFCCVEGCSA-N -1 1 280.327 2.921 20 30 CFEDMM N#CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000928813239 648959068 /nfs/dbraw/zinc/95/90/68/648959068.db2.gz HYHKTBNHDHNEHN-VIFPVBQESA-N -1 1 292.644 2.620 20 30 CFEDMM CSc1nc(Nc2ccc(C#N)c(C)c2)cc(=O)[n-]1 ZINC001210806397 770376794 /nfs/dbraw/zinc/37/67/94/770376794.db2.gz YCMYQFOUPHUVDS-UHFFFAOYSA-N -1 1 272.333 2.828 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cs2)c(=O)o1 ZINC000588601288 775267624 /nfs/dbraw/zinc/26/76/24/775267624.db2.gz HINUXYOBBWKSNM-ZZKXABKFSA-N -1 1 296.731 2.630 20 30 CFEDMM C#C[C@@H](CCCC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225675365 775553904 /nfs/dbraw/zinc/55/39/04/775553904.db2.gz UCJHJHDDXUPYNF-LBPRGKRZSA-N -1 1 262.305 2.871 20 30 CFEDMM [O-]/N=C/c1cccc(OC[C@H]2COc3cscc3O2)c1 ZINC001226115430 775703377 /nfs/dbraw/zinc/70/33/77/775703377.db2.gz DDRPKYYWQUAHNT-WJBQVEFQSA-N -1 1 291.328 2.775 20 30 CFEDMM C=CC[C@@H](CCC)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226238798 775748808 /nfs/dbraw/zinc/74/88/08/775748808.db2.gz YMGYZCUUEMGYDU-JTQLQIEISA-N -1 1 250.298 2.508 20 30 CFEDMM C[C@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1F ZINC001226252818 775755975 /nfs/dbraw/zinc/75/59/75/775755975.db2.gz ASVSBSGGYMSWJV-VKPPLCHCSA-N -1 1 261.256 2.564 20 30 CFEDMM Cc1cc(=O)oc2cc([O-])cc(O[C@H](C)[C@H](C)S)c12 ZINC001226485327 775843066 /nfs/dbraw/zinc/84/30/66/775843066.db2.gz KMQVQUGCFHATHD-BDAKNGLRSA-N -1 1 280.345 2.893 20 30 CFEDMM C#C[C@H]1CCC[C@@H]1Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487133 775843683 /nfs/dbraw/zinc/84/36/83/775843683.db2.gz VJKHNYILUUGDKU-AAEUAGOBSA-N -1 1 284.311 2.988 20 30 CFEDMM COCC(=O)c1ccc([O-])cc1O[C@@H](C#N)c1ccccc1 ZINC001227169673 776122803 /nfs/dbraw/zinc/12/28/03/776122803.db2.gz XDDLTNNMGQCUGU-KRWDZBQOSA-N -1 1 297.310 2.865 20 30 CFEDMM C#C[C@@H](CCCCC)Oc1[n-]c(=S)ncc1F ZINC001227382206 776189446 /nfs/dbraw/zinc/18/94/46/776189446.db2.gz BHXCVMCMKZBKBJ-VIFPVBQESA-N -1 1 254.330 2.865 20 30 CFEDMM C#C[C@H](C)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227305932 776176406 /nfs/dbraw/zinc/17/64/06/776176406.db2.gz CJMDEDZMZAVNAU-VIFPVBQESA-N -1 1 296.278 2.758 20 30 CFEDMM C#C[C@H](Oc1[n-]c(=S)ncc1F)c1ccccc1 ZINC001227383522 776189322 /nfs/dbraw/zinc/18/93/22/776189322.db2.gz OJOAHGSOHPMEJJ-NSHDSACASA-N -1 1 260.293 2.658 20 30 CFEDMM C=C[C@H](Oc1cc(Cl)c([O-])cc1Cl)C(=O)OC ZINC001227644889 776249382 /nfs/dbraw/zinc/24/93/82/776249382.db2.gz DDEUVHPJSCKCPA-VIFPVBQESA-N -1 1 277.103 2.805 20 30 CFEDMM Cc1cn2c(n1)[C@@H](Oc1ccc([O-])c(C#N)c1C#N)CCC2 ZINC001227620276 776246643 /nfs/dbraw/zinc/24/66/43/776246643.db2.gz ZFMJBEBYUOIFHA-HNNXBMFYSA-N -1 1 294.314 2.554 20 30 CFEDMM N#Cc1c([O-])ccc(O[C@@H]2COCc3ccccc32)c1C#N ZINC001227620185 776247164 /nfs/dbraw/zinc/24/71/64/776247164.db2.gz YEDIJSYKLGGYNZ-QGZVFWFLSA-N -1 1 292.294 2.786 20 30 CFEDMM CCOC(=O)C(F)(F)[C@H](CC)Oc1cc([O-])ccc1C#N ZINC001228006256 776359031 /nfs/dbraw/zinc/35/90/31/776359031.db2.gz YUMSREDJBHXLFW-LBPRGKRZSA-N -1 1 299.273 2.620 20 30 CFEDMM C=CC[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228139906 776407055 /nfs/dbraw/zinc/40/70/55/776407055.db2.gz CHBKSTPSMRNZTO-LLVKDONJSA-N -1 1 287.275 2.787 20 30 CFEDMM C#C[C@H]1CCC[C@@H]1Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228553753 776518491 /nfs/dbraw/zinc/51/84/91/776518491.db2.gz DIKXHKZPPLEINT-HZMBPMFUSA-N -1 1 274.316 2.871 20 30 CFEDMM C[C@H](C#C[Si](C)(C)C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699568 776574382 /nfs/dbraw/zinc/57/43/82/776574382.db2.gz ZQPWBGGSFJDQHW-LLVKDONJSA-N -1 1 286.411 2.515 20 30 CFEDMM CC#C[C@@H](CC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229132060 776728169 /nfs/dbraw/zinc/72/81/69/776728169.db2.gz PHHGQRPGRZQGLG-LLVKDONJSA-N -1 1 258.273 2.679 20 30 CFEDMM C#C[C@H]1CCC[C@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135850 776728998 /nfs/dbraw/zinc/72/89/98/776728998.db2.gz RGBDPIRIBQZVKB-GXFFZTMASA-N -1 1 270.284 2.679 20 30 CFEDMM COc1cc2ccc(=O)oc2c(O[C@H](C)[C@H](C)S)c1[O-] ZINC001229215452 776754087 /nfs/dbraw/zinc/75/40/87/776754087.db2.gz KFMFMJHTYUPTQJ-SFYZADRCSA-N -1 1 296.344 2.593 20 30 CFEDMM CC#C[C@H](CC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229214195 776754201 /nfs/dbraw/zinc/75/42/01/776754201.db2.gz CHEZGOCXBLJBJS-NSHDSACASA-N -1 1 288.299 2.688 20 30 CFEDMM CCC#C[C@@H](C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229214995 776754391 /nfs/dbraw/zinc/75/43/91/776754391.db2.gz JEIMUVLHGZDUFD-SNVBAGLBSA-N -1 1 288.299 2.688 20 30 CFEDMM C=C1O[C@H](C)C(=O)C1Oc1cc([O-])ccc1C(=O)CC ZINC001229475395 776823292 /nfs/dbraw/zinc/82/32/92/776823292.db2.gz VYODNHWADMCPBJ-MRVPVSSYSA-N -1 1 276.288 2.583 20 30 CFEDMM CCCOC(=O)[C@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229736456 776882829 /nfs/dbraw/zinc/88/28/29/776882829.db2.gz CREUEKOYDYDYNF-KBVGCWLLSA-N -1 1 265.309 2.605 20 30 CFEDMM COC(=O)[C@@H]1CCC[C@@H]1Oc1ccccc1/C(C)=N/[O-] ZINC001229736917 776883867 /nfs/dbraw/zinc/88/38/67/776883867.db2.gz LKXFSDREXSRPOG-XYZGBQHVSA-N -1 1 277.320 2.605 20 30 CFEDMM COc1c(O[C@@H](C)c2ccccc2C#N)nc(C)[n-]c1=O ZINC001230026313 776943496 /nfs/dbraw/zinc/94/34/96/776943496.db2.gz PPWNAMKZDDRQHO-VIFPVBQESA-N -1 1 285.303 2.511 20 30 CFEDMM CC[C@@H](C#Cc1ccccc1)Oc1nc(C)[n-]c(=O)c1OC ZINC001230026033 776943878 /nfs/dbraw/zinc/94/38/78/776943878.db2.gz NQOCLZBJINIMOG-AWEZNQCLSA-N -1 1 298.342 2.708 20 30 CFEDMM N#CC1CC(Oc2nc3c(cc(Cl)nc3Cl)[n-]2)C1 ZINC001231048060 777125513 /nfs/dbraw/zinc/12/55/13/777125513.db2.gz FJUXYDDOUMGNSN-UHFFFAOYSA-N -1 1 283.118 2.946 20 30 CFEDMM N#CC1CC(Oc2nc3cc(Cl)nc(Cl)c3[n-]2)C1 ZINC001231048060 777125518 /nfs/dbraw/zinc/12/55/18/777125518.db2.gz FJUXYDDOUMGNSN-UHFFFAOYSA-N -1 1 283.118 2.946 20 30 CFEDMM C=CC[C@@H](C=C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231262311 777180480 /nfs/dbraw/zinc/18/04/80/777180480.db2.gz FFAWNQJFGLEAFW-SECBINFHSA-N -1 1 250.254 2.513 20 30 CFEDMM CCOC(=O)[C@@H](CC(C)C)Oc1cccc(/C=N/[O-])c1 ZINC001226114709 777440489 /nfs/dbraw/zinc/44/04/89/777440489.db2.gz PMHLKZQFWOSCOL-DWKHYPNZSA-N -1 1 279.336 2.851 20 30 CFEDMM N#Cc1ccc([O-])c(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001232673185 777636467 /nfs/dbraw/zinc/63/64/67/777636467.db2.gz BUFGKMLTCSTNLS-CABCVRRESA-N -1 1 284.359 2.597 20 30 CFEDMM Cc1nc2c(s1)CN(Cc1cc(C#N)ccc1[O-])CC2 ZINC001232680089 777640029 /nfs/dbraw/zinc/64/00/29/777640029.db2.gz XQOPJEBSZHGRCV-UHFFFAOYSA-N -1 1 285.372 2.587 20 30 CFEDMM O=C1C=C2CN(Cc3cccc([O-])c3Cl)CC[C@H]2S1 ZINC001232785905 777668195 /nfs/dbraw/zinc/66/81/95/777668195.db2.gz KTXPZEUDEZMEMS-GFCCVEGCSA-N -1 1 295.791 2.820 20 30 CFEDMM N#C[C@H]1CCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232972952 777750016 /nfs/dbraw/zinc/75/00/16/777750016.db2.gz IAUGDLPLTKSAFP-SNVBAGLBSA-N -1 1 252.264 2.548 20 30 CFEDMM N#C[C@H](Oc1[n-]c(=S)ncc1F)c1cccc(F)c1 ZINC001227387302 777830393 /nfs/dbraw/zinc/83/03/93/777830393.db2.gz WFDZJVIRBQETRZ-JTQLQIEISA-N -1 1 279.271 2.687 20 30 CFEDMM N#Cc1ccc(CN2CCC[C@H]2C(F)(F)F)c([O-])c1 ZINC001233383818 777925994 /nfs/dbraw/zinc/92/59/94/777925994.db2.gz XGJJFABORRAAIE-LBPRGKRZSA-N -1 1 270.254 2.791 20 30 CFEDMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1C=CC(=O)C1 ZINC001233650470 778025675 /nfs/dbraw/zinc/02/56/75/778025675.db2.gz KNIQHQYXNVBIJV-GFCCVEGCSA-N -1 1 260.289 2.651 20 30 CFEDMM CCC[C@H](Oc1ccc(/C=N/[O-])cc1OC)C(=O)OCC ZINC001233803500 778082010 /nfs/dbraw/zinc/08/20/10/778082010.db2.gz QICWWTNJBDNXQE-RKPNYOAGSA-N -1 1 295.335 2.614 20 30 CFEDMM CCOC(=O)[C@H]1CCC[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234818736 778301739 /nfs/dbraw/zinc/30/17/39/778301739.db2.gz DDDBARPQANTLNA-JSGCOSHPSA-N -1 1 291.347 2.995 20 30 CFEDMM [O-]N=Cc1ccccc1O[C@@H]1CCc2cccnc21 ZINC001234820278 778302498 /nfs/dbraw/zinc/30/24/98/778302498.db2.gz ULCTYJMJCCIRKM-CQSZACIVSA-N -1 1 254.289 2.956 20 30 CFEDMM C[C@@H](CC(=O)OC(C)(C)C)Oc1ccccc1C=N[O-] ZINC001234821477 778303422 /nfs/dbraw/zinc/30/34/22/778303422.db2.gz FJQFLXVEYNHCHN-NSHDSACASA-N -1 1 279.336 2.994 20 30 CFEDMM COC(=O)[C@@H](Oc1ccccc1C=N[O-])c1ccccc1 ZINC001234821113 778303842 /nfs/dbraw/zinc/30/38/42/778303842.db2.gz CUALOXRSNMSFAW-HNNXBMFYSA-N -1 1 285.299 2.788 20 30 CFEDMM CCCCCCCCNC(=O)c1cncc([O-])c1 ZINC000161035687 778622132 /nfs/dbraw/zinc/62/21/32/778622132.db2.gz LXFKRGCKMJPMQN-UHFFFAOYSA-N -1 1 250.342 2.878 20 30 CFEDMM CC(C)(C)C(=O)Nc1ccc(C#N)nc1-c1cncc([O-])c1 ZINC001236574109 778880193 /nfs/dbraw/zinc/88/01/93/778880193.db2.gz ORNPBNGYSJIPLA-UHFFFAOYSA-N -1 1 296.330 2.705 20 30 CFEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1occc1C ZINC000129941464 778905162 /nfs/dbraw/zinc/90/51/62/778905162.db2.gz CJIUPUURPWWPTI-NSHDSACASA-N -1 1 298.298 2.558 20 30 CFEDMM N#Cc1ccc(O)c(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000176399231 779123626 /nfs/dbraw/zinc/12/36/26/779123626.db2.gz PNIGRHVCZUMBHB-UHFFFAOYSA-N -1 1 288.690 2.875 20 30 CFEDMM N#C[C@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC001238236165 779287910 /nfs/dbraw/zinc/28/79/10/779287910.db2.gz QMGZXQFVXDNPNH-NSHDSACASA-N -1 1 276.311 2.650 20 30 CFEDMM O=C1COc2ccc(-c3ccc(/C=N/[O-])c(F)c3)cc2N1 ZINC001239102796 779461249 /nfs/dbraw/zinc/46/12/49/779461249.db2.gz YDBRKKAZWUJBFO-REZTVBANSA-N -1 1 286.262 2.632 20 30 CFEDMM N#Cc1c[nH]c2ccnc(-c3ccc(C(=O)[O-])cc3F)c12 ZINC001239246932 779483947 /nfs/dbraw/zinc/48/39/47/779483947.db2.gz JJGHBILFAMNZRL-UHFFFAOYSA-N -1 1 281.246 2.939 20 30 CFEDMM CS(=O)(=O)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001239838975 779811772 /nfs/dbraw/zinc/81/17/72/779811772.db2.gz KGQYGMAQUKWFBY-UHFFFAOYSA-N -1 1 275.329 2.565 20 30 CFEDMM C=CCNC(=O)c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240695145 780365895 /nfs/dbraw/zinc/36/58/95/780365895.db2.gz CCJMNJBZRLUAOL-UHFFFAOYSA-N -1 1 272.279 2.509 20 30 CFEDMM Cc1nc(Nc2cc(F)cc(F)c2[O-])c(C#N)cc1C#N ZINC001212479661 780394296 /nfs/dbraw/zinc/39/42/96/780394296.db2.gz KLBSMHASHUCNHV-UHFFFAOYSA-N -1 1 286.241 2.861 20 30 CFEDMM COC(OC)c1c(C#N)ccnc1-c1ccc([O-])c(F)c1 ZINC001240782520 780436808 /nfs/dbraw/zinc/43/68/08/780436808.db2.gz GFVKPUACCVPPCU-UHFFFAOYSA-N -1 1 288.278 2.756 20 30 CFEDMM CO[C@H](C)CO[C@H](C)COc1ccccc1/C(C)=N/[O-] ZINC001229737948 780462303 /nfs/dbraw/zinc/46/23/03/780462303.db2.gz GCUZTARHTUPWEY-ZFHNCLSMSA-N -1 1 281.352 2.704 20 30 CFEDMM COc1nc(-c2c(F)ccc([O-])c2F)ccc1C#N ZINC001241289311 780759774 /nfs/dbraw/zinc/75/97/74/780759774.db2.gz PDXFMTIDNJJYAQ-UHFFFAOYSA-N -1 1 262.215 2.613 20 30 CFEDMM CSc1ncc(C#N)c(-c2c(F)ccc([O-])c2F)n1 ZINC001241291431 780761113 /nfs/dbraw/zinc/76/11/13/780761113.db2.gz KWCABTBKVLEABJ-UHFFFAOYSA-N -1 1 279.271 2.721 20 30 CFEDMM N#Cc1cnc2ccc(-c3c(F)ccc([O-])c3F)cn12 ZINC001241293516 780765016 /nfs/dbraw/zinc/76/50/16/780765016.db2.gz IFBDGFCEPQLMKQ-UHFFFAOYSA-N -1 1 271.226 2.857 20 30 CFEDMM CCOC(=O)c1nc2cc(-c3ccc(C#N)nc3)ccc2[n-]1 ZINC001241435110 780881668 /nfs/dbraw/zinc/88/16/68/780881668.db2.gz RCMHURYGIVAZQM-UHFFFAOYSA-N -1 1 292.298 2.673 20 30 CFEDMM CCOC(=O)c1nc2ccc(-c3ccc(C#N)nc3)cc2[n-]1 ZINC001241435110 780881669 /nfs/dbraw/zinc/88/16/69/780881669.db2.gz RCMHURYGIVAZQM-UHFFFAOYSA-N -1 1 292.298 2.673 20 30 CFEDMM C/C(=N\[O-])c1ccc(-c2cnc(N)nc2C(F)(F)F)cc1 ZINC001241655033 781049267 /nfs/dbraw/zinc/04/92/67/781049267.db2.gz ULADYZPAWORAHM-IFRROFPPSA-N -1 1 296.252 2.943 20 30 CFEDMM [O-]N=Cc1cc(-c2ncc[nH]2)cc(C(F)(F)F)c1 ZINC001242018932 781233568 /nfs/dbraw/zinc/23/35/68/781233568.db2.gz RCKUNPOGGIUSIP-UBKPWBPPSA-N -1 1 255.199 2.904 20 30 CFEDMM COC(=O)c1ccccc1-c1ccc([O-])c(C#N)c1 ZINC001242563785 781602363 /nfs/dbraw/zinc/60/23/63/781602363.db2.gz LHNLQGBOGQKKDI-UHFFFAOYSA-N -1 1 253.257 2.717 20 30 CFEDMM CCc1nnc2ccc(-c3ccc([O-])c(C#N)c3)cn21 ZINC001242564858 781603616 /nfs/dbraw/zinc/60/36/16/781603616.db2.gz XZBQQGOZGUDNOS-UHFFFAOYSA-N -1 1 264.288 2.536 20 30 CFEDMM COC(=O)c1cc2cc(-c3ccc([O-])c(C#N)c3)c[nH]c-2n1 ZINC001242564521 781603805 /nfs/dbraw/zinc/60/38/05/781603805.db2.gz DZYFUOGEKHJNLA-UHFFFAOYSA-N -1 1 293.282 2.594 20 30 CFEDMM COC(=O)c1nc2[nH]ccc2cc1-c1ccc([O-])c(C#N)c1 ZINC001242565852 781605038 /nfs/dbraw/zinc/60/50/38/781605038.db2.gz DYNVXRDDRZOJEL-UHFFFAOYSA-N -1 1 293.282 2.545 20 30 CFEDMM COC(=O)c1ccc(-c2ccc([O-])c(C#N)c2)c(F)c1F ZINC001242566325 781605869 /nfs/dbraw/zinc/60/58/69/781605869.db2.gz TUXYEHWHHWBDDV-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM COC(=O)c1nc2ccc(-c3ccc(C)cc3C#N)nc2[n-]1 ZINC001242592736 781625242 /nfs/dbraw/zinc/62/52/42/781625242.db2.gz AAEBUDRZICRHJX-UHFFFAOYSA-N -1 1 292.298 2.543 20 30 CFEDMM N#Cc1cc(-c2cc([O-])cc(C(F)(F)F)c2)ncn1 ZINC001242780774 781758660 /nfs/dbraw/zinc/75/86/60/781758660.db2.gz RFEFASSDUUCYOG-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM CCc1nc(S[C@@H]2CC[C@@H](C#N)C2)[n-]c(=O)c1C ZINC000594903367 349499969 /nfs/dbraw/zinc/49/99/69/349499969.db2.gz ANRDOHQBEMJYAR-NXEZZACHSA-N -1 1 263.366 2.837 20 30 CFEDMM CCCCO[C@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000068541627 346858691 /nfs/dbraw/zinc/85/86/91/346858691.db2.gz WSHHWYYXZQXVRZ-ZCFIWIBFSA-N -1 1 280.250 2.617 20 30 CFEDMM N#Cc1[n-]c(=N[C@@H]2CCC(F)(F)C2)sc1Cl ZINC000596162833 349813981 /nfs/dbraw/zinc/81/39/81/349813981.db2.gz QOEOVGZOHIRRMU-RXMQYKEDSA-N -1 1 263.700 2.690 20 30 CFEDMM CSC1(CN=c2[n-]c(C#N)c(Cl)s2)CCC1 ZINC000596215641 349828854 /nfs/dbraw/zinc/82/88/54/349828854.db2.gz QUDHZSKTVCSSJO-UHFFFAOYSA-N -1 1 273.814 2.788 20 30 CFEDMM N#Cc1[n-]c(=N[C@H]2CCC[N@H+]3CCCC[C@@H]23)sc1Cl ZINC000596296560 349855733 /nfs/dbraw/zinc/85/57/33/349855733.db2.gz LOLYJSHFMCPOKU-ONGXEEELSA-N -1 1 296.827 2.519 20 30 CFEDMM C=CCCSCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596413801 349895576 /nfs/dbraw/zinc/89/55/76/349895576.db2.gz XEFRTRBGEFOBRO-UHFFFAOYSA-N -1 1 273.814 2.811 20 30 CFEDMM CCSC1(CN=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596511666 349925449 /nfs/dbraw/zinc/92/54/49/349925449.db2.gz QMPOJWPHHJAVOS-UHFFFAOYSA-N -1 1 273.814 2.788 20 30 CFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000179027140 232393543 /nfs/dbraw/zinc/39/35/43/232393543.db2.gz WFWYCAULTRNLOS-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM C=C(C)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000109714133 347746220 /nfs/dbraw/zinc/74/62/20/347746220.db2.gz KNFBXGNLGCOTJH-UHFFFAOYSA-N -1 1 250.245 2.869 20 30 CFEDMM COc1cccc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589157651 348813797 /nfs/dbraw/zinc/81/37/97/348813797.db2.gz VZWLMHJXHNPFAP-UHFFFAOYSA-N -1 1 296.326 2.545 20 30 CFEDMM Cc1ccccc1CN(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589158361 348813894 /nfs/dbraw/zinc/81/38/94/348813894.db2.gz IQFAGXUJLXLIGC-UHFFFAOYSA-N -1 1 280.327 2.845 20 30 CFEDMM Cc1cc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)on1 ZINC000589170117 348815187 /nfs/dbraw/zinc/81/51/87/348815187.db2.gz LUMZISDDPHOBPP-AWEZNQCLSA-N -1 1 297.314 2.538 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCC2CCCCC2)c1 ZINC000589168483 348815243 /nfs/dbraw/zinc/81/52/43/348815243.db2.gz PCKWBKBXZUWVGE-UHFFFAOYSA-N -1 1 272.348 2.964 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3ccccc3)CC2)c1 ZINC000589179036 348816087 /nfs/dbraw/zinc/81/60/87/348816087.db2.gz HYXFCBMGEWMNPX-UHFFFAOYSA-N -1 1 278.311 2.683 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000589184170 348817044 /nfs/dbraw/zinc/81/70/44/348817044.db2.gz COJFTIYGZQEKQR-KCQAQPDRSA-N -1 1 284.359 2.962 20 30 CFEDMM CC[C@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589185039 348817102 /nfs/dbraw/zinc/81/71/02/348817102.db2.gz RHIBKZAMZXESQZ-FZMZJTMJSA-N -1 1 272.348 2.962 20 30 CFEDMM CC1(C)CCC(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589183319 348817293 /nfs/dbraw/zinc/81/72/93/348817293.db2.gz GTMLKZUJNCUDKV-UHFFFAOYSA-N -1 1 272.348 2.962 20 30 CFEDMM Cc1ccc(CC[C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000589187331 348817376 /nfs/dbraw/zinc/81/73/76/348817376.db2.gz XIXYENATTZBUTG-LLVKDONJSA-N -1 1 298.342 2.916 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H]2c2cccc(F)c2)c1 ZINC000589187734 348817890 /nfs/dbraw/zinc/81/78/90/348817890.db2.gz OOTYEUHCWCVARM-INIZCTEOSA-N -1 1 296.301 2.990 20 30 CFEDMM CC[C@]1(C)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589190704 348818262 /nfs/dbraw/zinc/81/82/62/348818262.db2.gz IXNQCBUADRXLCC-OAHLLOKOSA-N -1 1 258.321 2.526 20 30 CFEDMM CC[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589189066 348818349 /nfs/dbraw/zinc/81/83/49/348818349.db2.gz AVIRNFTUOHBKCL-BXUZGUMPSA-N -1 1 258.321 2.572 20 30 CFEDMM C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC12CCC2 ZINC000589197192 348818864 /nfs/dbraw/zinc/81/88/64/348818864.db2.gz GPYAMLHKLPQCCZ-LBPRGKRZSA-N -1 1 284.359 2.916 20 30 CFEDMM Cc1c(NC(=O)c2cc([O-])cc(C#N)c2)cnn1CC(C)C ZINC000589196561 348818909 /nfs/dbraw/zinc/81/89/09/348818909.db2.gz NLCVLZAYHAILGI-UHFFFAOYSA-N -1 1 298.346 2.677 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CC23CCCCC3)c1 ZINC000589197336 348819331 /nfs/dbraw/zinc/81/93/31/348819331.db2.gz NYSLAXKTKSUPOA-CQSZACIVSA-N -1 1 270.332 2.716 20 30 CFEDMM N#Cc1[n-]c(=N[C@H](CCO)C2CCCCC2)sc1Cl ZINC000590585899 348911447 /nfs/dbraw/zinc/91/14/47/348911447.db2.gz SYQUOHCHXYFKRI-SNVBAGLBSA-N -1 1 299.827 2.833 20 30 CFEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CC1(C)C ZINC000591321486 349009365 /nfs/dbraw/zinc/00/93/65/349009365.db2.gz RMCBDHGVCXVMIL-KBPBESRZSA-N -1 1 272.348 2.818 20 30 CFEDMM N#CC1(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCC1 ZINC000591322882 349009391 /nfs/dbraw/zinc/00/93/91/349009391.db2.gz LTXOTEMXQSEHPU-UHFFFAOYSA-N -1 1 298.264 2.835 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](C3CCCC3)C2)c1 ZINC000591536587 349028946 /nfs/dbraw/zinc/02/89/46/349028946.db2.gz KWAVPRQNVGKMFU-AWEZNQCLSA-N -1 1 284.359 2.916 20 30 CFEDMM CS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000593783789 349326682 /nfs/dbraw/zinc/32/66/82/349326682.db2.gz IIWSOOOHQZIWHP-TZMCWYRMSA-N -1 1 290.388 2.668 20 30 CFEDMM Cc1ccc(-c2cc(=NC(=O)CCCCC#N)[nH][n-]2)s1 ZINC000594420789 349416421 /nfs/dbraw/zinc/41/64/21/349416421.db2.gz NPHWFZPLGUTBFJ-UHFFFAOYSA-N -1 1 288.376 2.891 20 30 CFEDMM N#CC1(CC(=O)Nc2ccc([O-])c(Cl)c2)CCOCC1 ZINC000597422127 350095405 /nfs/dbraw/zinc/09/54/05/350095405.db2.gz SNNJQQOPOCQHLO-UHFFFAOYSA-N -1 1 294.738 2.695 20 30 CFEDMM C[C@@]1(C#N)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000598410653 350260843 /nfs/dbraw/zinc/26/08/43/350260843.db2.gz LTXNHJGFVZVWTL-KRWDZBQOSA-N -1 1 280.327 2.921 20 30 CFEDMM N#CC1(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)CC2(CC2)C1 ZINC000601635361 350751590 /nfs/dbraw/zinc/75/15/90/350751590.db2.gz LAIZPZQJAIXHLA-UHFFFAOYSA-N -1 1 298.371 2.583 20 30 CFEDMM C[C@@]1(C#N)CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000601432000 350732503 /nfs/dbraw/zinc/73/25/03/350732503.db2.gz IIFDPARUNOMKIX-HNNXBMFYSA-N -1 1 292.766 2.740 20 30 CFEDMM CCc1c(C(C)C)[n-]n(-c2ccc(C#N)cc2)c1=O ZINC000601931666 350806362 /nfs/dbraw/zinc/80/63/62/350806362.db2.gz NYVGVWIXWLJZCJ-CYBMUJFWSA-N -1 1 255.321 2.943 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000610528467 351579273 /nfs/dbraw/zinc/57/92/73/351579273.db2.gz HJRDTNAZENWTRK-UHFFFAOYSA-N -1 1 262.265 2.717 20 30 CFEDMM N#CCc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000613443007 351960134 /nfs/dbraw/zinc/96/01/34/351960134.db2.gz KTOJKDTWRMWETF-UHFFFAOYSA-N -1 1 270.263 2.850 20 30 CFEDMM N#Cc1ccc2c(c1)N(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC000613517494 351974295 /nfs/dbraw/zinc/97/42/95/351974295.db2.gz KYLKWKFAAVIXGD-UHFFFAOYSA-N -1 1 282.274 2.606 20 30 CFEDMM CN(Cc1ccc(F)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293500 352076378 /nfs/dbraw/zinc/07/63/78/352076378.db2.gz WCHSWOYPXQVVMT-UHFFFAOYSA-N -1 1 284.290 2.675 20 30 CFEDMM CC(C)CC[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614294181 352076193 /nfs/dbraw/zinc/07/61/93/352076193.db2.gz WOQOZUNQYVZCEB-LLVKDONJSA-N -1 1 260.337 2.818 20 30 CFEDMM C[C@H](NC(=O)c1c([O-])cccc1F)c1cccc(C#N)c1 ZINC000613884793 352021799 /nfs/dbraw/zinc/02/17/99/352021799.db2.gz HWIFTXJRYJMEEC-JTQLQIEISA-N -1 1 284.290 2.894 20 30 CFEDMM Cc1nc(NC(=O)c2cc([O-])cc(C#N)c2)sc1C ZINC000614293710 352076478 /nfs/dbraw/zinc/07/64/78/352076478.db2.gz WEQKRGPRIUJPFG-UHFFFAOYSA-N -1 1 273.317 2.590 20 30 CFEDMM Cc1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614295270 352077059 /nfs/dbraw/zinc/07/70/59/352077059.db2.gz BBKHXABCQVFFEC-UHFFFAOYSA-N -1 1 266.300 2.502 20 30 CFEDMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000614299091 352077270 /nfs/dbraw/zinc/07/72/70/352077270.db2.gz BMAPNTZBUYBNJR-NWDGAFQWSA-N -1 1 272.348 2.915 20 30 CFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614357309 352084154 /nfs/dbraw/zinc/08/41/54/352084154.db2.gz YTHOTXBCITZDTL-UHFFFAOYSA-N -1 1 252.273 2.540 20 30 CFEDMM Cc1ccc(F)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614357377 352084171 /nfs/dbraw/zinc/08/41/71/352084171.db2.gz VNQBMJXINUSKIU-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCc3ccccc32)c1 ZINC000614357210 352084493 /nfs/dbraw/zinc/08/44/93/352084493.db2.gz KLIMWXTZXNCOPS-UHFFFAOYSA-N -1 1 278.311 2.857 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCCc3sccc3C2)cc1[O-] ZINC000615428613 352192235 /nfs/dbraw/zinc/19/22/35/352192235.db2.gz YCKWBIYDDGPEKF-UHFFFAOYSA-N -1 1 298.367 2.914 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc3cc(F)ccc3[nH]2)c1 ZINC000618882710 352903469 /nfs/dbraw/zinc/90/34/69/352903469.db2.gz NAGZFVNKYWYYMZ-UHFFFAOYSA-N -1 1 296.261 2.532 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000619248017 352986385 /nfs/dbraw/zinc/98/63/85/352986385.db2.gz YPTLGFZRNFIEAU-NSHDSACASA-N -1 1 298.264 2.678 20 30 CFEDMM CC(C)CON=c1[n-]cc(Br)cc1C#N ZINC000297662196 200255411 /nfs/dbraw/zinc/25/54/11/200255411.db2.gz ZFQKHHBOSZRHLP-UHFFFAOYSA-N -1 1 270.130 2.715 20 30 CFEDMM N#Cc1nc2[nH]ccc2cc1-c1ccc(F)c([O-])c1 ZINC001243052001 781957228 /nfs/dbraw/zinc/95/72/28/781957228.db2.gz SLLHGACOJLORRN-UHFFFAOYSA-N -1 1 253.236 2.898 20 30 CFEDMM COc1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000041520144 372845789 /nfs/dbraw/zinc/84/57/89/372845789.db2.gz ILIUNADHAXMONV-LBPRGKRZSA-N -1 1 272.329 2.950 20 30 CFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000112335451 375904831 /nfs/dbraw/zinc/90/48/31/375904831.db2.gz MPKJPUCLJHTYOX-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM C=CCN(Cc1cccs1)[C@@H](CCC)C(=O)[O-] ZINC000574644299 335036660 /nfs/dbraw/zinc/03/66/60/335036660.db2.gz PBBNETZGZDRSNH-LBPRGKRZSA-N -1 1 253.367 2.989 20 30 CFEDMM CCc1noc(C)c1[N-]C(=O)c1sccc1C#N ZINC000120990739 376738740 /nfs/dbraw/zinc/73/87/40/376738740.db2.gz QVLGCTPQSZKRAJ-UHFFFAOYSA-N -1 1 261.306 2.731 20 30 CFEDMM C=C[C@H](CC(=O)N[C@@H](CCC)c1nn[n-]n1)c1ccccc1 ZINC000122723973 376937414 /nfs/dbraw/zinc/93/74/14/376937414.db2.gz VSYQSHIKPCUVAR-OCCSQVGLSA-N -1 1 299.378 2.517 20 30 CFEDMM C=CCN(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000165377717 379038489 /nfs/dbraw/zinc/03/84/89/379038489.db2.gz KGUIEWFRSHUWLW-UHFFFAOYSA-N -1 1 251.713 2.836 20 30 CFEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000432282981 383734991 /nfs/dbraw/zinc/73/49/91/383734991.db2.gz GQLCDDDWRMFBNY-UHFFFAOYSA-N -1 1 289.347 2.845 20 30 CFEDMM C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000335524933 379452163 /nfs/dbraw/zinc/45/21/63/379452163.db2.gz WEDZZYRPSLCVPS-MFKMUULPSA-N -1 1 258.321 2.524 20 30 CFEDMM C=CCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000172642838 379613679 /nfs/dbraw/zinc/61/36/79/379613679.db2.gz CIADYAOCTXQGQK-UHFFFAOYSA-N -1 1 266.366 2.732 20 30 CFEDMM CCCN(CC#N)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177041679 380298859 /nfs/dbraw/zinc/29/88/59/380298859.db2.gz HWTRHQPTPBNUTC-UHFFFAOYSA-N -1 1 280.755 2.984 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@H]2Cc2ccccc2)cc1[O-] ZINC000336529711 380420639 /nfs/dbraw/zinc/42/06/39/380420639.db2.gz HYFHTILZKCLMEP-INIZCTEOSA-N -1 1 292.338 2.721 20 30 CFEDMM CN(Cc1cccs1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000336577180 380492725 /nfs/dbraw/zinc/49/27/25/380492725.db2.gz WGKNEJYXUNWNDI-UHFFFAOYSA-N -1 1 272.329 2.598 20 30 CFEDMM Cc1nsc([N-]C(=O)c2cc(C(C)C)no2)c1C#N ZINC000298812245 381756113 /nfs/dbraw/zinc/75/61/13/381756113.db2.gz XVRGDYKUVGHTIC-UHFFFAOYSA-N -1 1 276.321 2.687 20 30 CFEDMM N#CC(=C([O-])c1cncnc1)c1nccc2ccccc21 ZINC000361517599 381838000 /nfs/dbraw/zinc/83/80/00/381838000.db2.gz DOZHZOJCMPAYBL-CQSZACIVSA-N -1 1 274.283 2.515 20 30 CFEDMM C=CCCCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000351567178 382043818 /nfs/dbraw/zinc/04/38/18/382043818.db2.gz HKQMBSRYWWCNEE-UHFFFAOYSA-N -1 1 293.310 2.739 20 30 CFEDMM CCc1cc(=O)[n-]c(SCc2ccc(F)cc2C#N)n1 ZINC000188100861 382344532 /nfs/dbraw/zinc/34/45/32/382344532.db2.gz ASUASLJSOKXBKW-UHFFFAOYSA-N -1 1 289.335 2.635 20 30 CFEDMM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188532977 382430619 /nfs/dbraw/zinc/43/06/19/382430619.db2.gz GLZZMOZYSQCDRR-HNNXBMFYSA-N -1 1 295.342 2.882 20 30 CFEDMM CC1(C)CCCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188545396 382432875 /nfs/dbraw/zinc/43/28/75/382432875.db2.gz SLAVHHGDBAYAPX-UHFFFAOYSA-N -1 1 272.348 2.916 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCc3ccccc32)cc1[O-] ZINC000188380294 382403993 /nfs/dbraw/zinc/40/39/93/382403993.db2.gz BMVHKUMSSJGYHC-HNNXBMFYSA-N -1 1 292.338 2.724 20 30 CFEDMM C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H](C)C1 ZINC000188399939 382406759 /nfs/dbraw/zinc/40/67/59/382406759.db2.gz FKLGMKRYFKKFQE-GYSYKLTISA-N -1 1 272.348 2.818 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cc1[O-] ZINC000188478571 382421619 /nfs/dbraw/zinc/42/16/19/382421619.db2.gz VWQPCCSFUMMBEN-JKSUJKDBSA-N -1 1 292.338 2.797 20 30 CFEDMM N#Cc1ccc(C(=O)NCCSc2ccccc2)cc1[O-] ZINC000189896106 382644108 /nfs/dbraw/zinc/64/41/08/382644108.db2.gz UETQLPUHUASLBI-UHFFFAOYSA-N -1 1 298.367 2.786 20 30 CFEDMM CC(C)N(CC1CCC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000193010314 382714653 /nfs/dbraw/zinc/71/46/53/382714653.db2.gz LMGGEGBSQVSJCS-UHFFFAOYSA-N -1 1 272.348 2.915 20 30 CFEDMM C[C@H](CCc1ccco1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442633936 382939759 /nfs/dbraw/zinc/93/97/59/382939759.db2.gz LHMYREGSCXUKEY-LLVKDONJSA-N -1 1 284.315 2.608 20 30 CFEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1sccc1F ZINC000338945489 383094784 /nfs/dbraw/zinc/09/47/84/383094784.db2.gz NJZNOCNCIHVHKN-SECBINFHSA-N -1 1 277.386 2.910 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccnn2CC(C)C)n1 ZINC000566214551 383185586 /nfs/dbraw/zinc/18/55/86/383185586.db2.gz RECPQUVEMLBLAG-NSHDSACASA-N -1 1 288.376 2.794 20 30 CFEDMM C=C(C)Cn1[n-]c(-c2cccc(OC)c2)c(CC)c1=O ZINC000634604129 383265582 /nfs/dbraw/zinc/26/55/82/383265582.db2.gz VVYUOKZEFLMDHR-AWEZNQCLSA-N -1 1 272.348 2.844 20 30 CFEDMM C[C@@H](Cc1ccsc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000527190308 383460668 /nfs/dbraw/zinc/46/06/68/383460668.db2.gz XQFBSBACDBMOHX-JTQLQIEISA-N -1 1 286.356 2.686 20 30 CFEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)C(C)C ZINC000570292357 383591737 /nfs/dbraw/zinc/59/17/37/383591737.db2.gz IOJNBPMGWRDAHH-NSHDSACASA-N -1 1 260.337 2.770 20 30 CFEDMM C=CCCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000572350437 383774991 /nfs/dbraw/zinc/77/49/91/383774991.db2.gz SFWJRQIJOXHWQW-UHFFFAOYSA-N -1 1 265.334 2.677 20 30 CFEDMM C=CCN(Cc1cccs1)[C@H](C(=O)[O-])C1CC1 ZINC000571054155 383662172 /nfs/dbraw/zinc/66/21/72/383662172.db2.gz QVMGSJLPWJFHEL-LBPRGKRZSA-N -1 1 251.351 2.599 20 30 CFEDMM C=CCOCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278155987 384486681 /nfs/dbraw/zinc/48/66/81/384486681.db2.gz MNGVEGOWTBRZED-UHFFFAOYSA-N -1 1 278.283 2.717 20 30 CFEDMM C=C(C)[C@@H](CC(=O)[N-]OCc1ccccc1)OCC ZINC000270128099 384986807 /nfs/dbraw/zinc/98/68/07/384986807.db2.gz NYWFBDXLDFNWKE-CQSZACIVSA-N -1 1 263.337 2.606 20 30 CFEDMM C#CC(C)(C)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000270158141 384997083 /nfs/dbraw/zinc/99/70/83/384997083.db2.gz FENKIALNSZKJIJ-UHFFFAOYSA-N -1 1 273.229 2.585 20 30 CFEDMM C=C(C)[C@H](CC(=O)Nc1ccc(F)cc1[O-])OCC ZINC000270297342 385045936 /nfs/dbraw/zinc/04/59/36/385045936.db2.gz BLFOSLUNHRNWPL-ZDUSSCGKSA-N -1 1 267.300 2.841 20 30 CFEDMM CC(C)[C@@H](C#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000271055077 385323176 /nfs/dbraw/zinc/32/31/76/385323176.db2.gz ZAAZMQVBNPWUNO-CQSZACIVSA-N -1 1 268.316 2.823 20 30 CFEDMM N#CCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000334340127 393596094 /nfs/dbraw/zinc/59/60/94/393596094.db2.gz CAWXHXJDPFIHMA-UHFFFAOYSA-N -1 1 288.253 2.989 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)nc1 ZINC000082192825 393739200 /nfs/dbraw/zinc/73/92/00/393739200.db2.gz MFLWAVXXBJQXJN-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@H](CC3CC3)C2)cc1[O-] ZINC000557486103 395037473 /nfs/dbraw/zinc/03/74/73/395037473.db2.gz GGYLNEFDZPQZDL-GFCCVEGCSA-N -1 1 270.332 2.526 20 30 CFEDMM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000660142747 414669020 /nfs/dbraw/zinc/66/90/20/414669020.db2.gz FNNIBPXCMBSTQY-UHFFFAOYSA-N -1 1 289.347 2.988 20 30 CFEDMM C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000334650624 225255217 /nfs/dbraw/zinc/25/52/17/225255217.db2.gz GBCVVOYTZRTSMF-JMCQJSRRSA-N -1 1 250.685 2.534 20 30 CFEDMM C=C(C)CN(CC)Cc1ccc(C(=O)[O-])cc1F ZINC000518201133 260355543 /nfs/dbraw/zinc/35/55/43/260355543.db2.gz STCIQRHLIBSTPQ-UHFFFAOYSA-N -1 1 251.301 2.922 20 30 CFEDMM Cc1nn(C)cc1/C=C1/CCc2cc([O-])ccc2C1=O ZINC000121164382 260707880 /nfs/dbraw/zinc/70/78/80/260707880.db2.gz OZBDPGKKFATQCM-GHXNOFRVSA-N -1 1 268.316 2.647 20 30 CFEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(Cl)cc1[O-] ZINC000155108140 261098163 /nfs/dbraw/zinc/09/81/63/261098163.db2.gz LAHWIVDZMFUKNT-LLVKDONJSA-N -1 1 266.728 2.714 20 30 CFEDMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188276322 262288438 /nfs/dbraw/zinc/28/84/38/262288438.db2.gz HLOSERXQWUMODJ-BXUZGUMPSA-N -1 1 272.348 2.915 20 30 CFEDMM C[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H]1C ZINC000188552185 262314962 /nfs/dbraw/zinc/31/49/62/262314962.db2.gz KRUFWAKYSJFFIE-GHMZBOCLSA-N -1 1 258.321 2.524 20 30 CFEDMM C=C(C)CN(C)C(=O)c1ccc(Br)cc1[O-] ZINC000163137732 262393189 /nfs/dbraw/zinc/39/31/89/262393189.db2.gz LGIVISSKCHSQJJ-UHFFFAOYSA-N -1 1 284.153 2.803 20 30 CFEDMM N#CC1(c2nc(-c3ccc([O-])cc3F)no2)CCCC1 ZINC000277888743 263044250 /nfs/dbraw/zinc/04/42/50/263044250.db2.gz CSLRKVUVJGSIJW-UHFFFAOYSA-N -1 1 273.267 2.917 20 30 CFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340851699 263309215 /nfs/dbraw/zinc/30/92/15/263309215.db2.gz XURJFIXYILQEOW-QMMMGPOBSA-N -1 1 277.748 2.722 20 30 CFEDMM COc1cc(C(=O)N[C@@H]2CCCOC2)cc(Cl)c1[O-] ZINC000330884546 264062603 /nfs/dbraw/zinc/06/26/03/264062603.db2.gz POJVYINRHZXLCR-SECBINFHSA-N -1 1 285.727 2.538 20 30 CFEDMM COc1cc(C(=O)N[C@H]2CCCOC2)cc(Cl)c1[O-] ZINC000330884547 264062822 /nfs/dbraw/zinc/06/28/22/264062822.db2.gz POJVYINRHZXLCR-VIFPVBQESA-N -1 1 285.727 2.538 20 30 CFEDMM COc1cc(C(=O)NC[C@@H]2CC[C@@H](O)C2)cc(Cl)c1[O-] ZINC000331064654 264111367 /nfs/dbraw/zinc/11/13/67/264111367.db2.gz PBKOFHCJAAQVEY-PSASIEDQSA-N -1 1 299.754 2.520 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000194790966 266023832 /nfs/dbraw/zinc/02/38/32/266023832.db2.gz LXMVYYUZXRVDEC-UHFFFAOYSA-N -1 1 281.381 2.665 20 30 CFEDMM C=C(C)CS(=O)(=O)[N-]c1cc(F)ccc1OCC1CC1 ZINC000357082987 266244615 /nfs/dbraw/zinc/24/46/15/266244615.db2.gz IDPBIZDNHOMVQG-UHFFFAOYSA-N -1 1 299.367 2.932 20 30 CFEDMM N#Cc1ccc(C(=O)NCC[C@H]2CC=CCC2)cc1[O-] ZINC000529869772 268198348 /nfs/dbraw/zinc/19/83/48/268198348.db2.gz SWQDTSJDXNZHMZ-LBPRGKRZSA-N -1 1 270.332 2.740 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1[O-] ZINC000194967523 280928247 /nfs/dbraw/zinc/92/82/47/280928247.db2.gz ANXJQPPKHRJZLO-LSDHHAIUSA-N -1 1 296.301 2.689 20 30 CFEDMM Cc1cc(C#N)cnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000551760131 281841218 /nfs/dbraw/zinc/84/12/18/281841218.db2.gz INGNRRZYXGZRBP-UHFFFAOYSA-N -1 1 287.706 2.873 20 30 CFEDMM C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189797530 290416523 /nfs/dbraw/zinc/41/65/23/290416523.db2.gz RLRADKUOWAKQEE-GXFFZTMASA-N -1 1 258.321 2.572 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)cc1[O-] ZINC000336179098 303189339 /nfs/dbraw/zinc/18/93/39/303189339.db2.gz NHRAORWFILWKOG-NSHDSACASA-N -1 1 280.274 2.572 20 30 CFEDMM C=CCNC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000097699036 328689901 /nfs/dbraw/zinc/68/99/01/328689901.db2.gz PKZDGVPQILSTJW-UHFFFAOYSA-N -1 1 296.326 2.560 20 30 CFEDMM C=C(C)CN(C)C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000183602728 329251277 /nfs/dbraw/zinc/25/12/77/329251277.db2.gz XXMMSDYZJWZXPS-UHFFFAOYSA-N -1 1 286.331 2.597 20 30 CFEDMM Cc1c(-c2ccccc2)nc(S[C@H](C)C#N)[n-]c1=O ZINC000185054423 329265276 /nfs/dbraw/zinc/26/52/76/329265276.db2.gz FQWPIMBIRKJGPF-SECBINFHSA-N -1 1 271.345 2.750 20 30 CFEDMM C=C(CC)CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000450916107 331007112 /nfs/dbraw/zinc/00/71/12/331007112.db2.gz UQPPOCZEVSOVJN-UHFFFAOYSA-N -1 1 284.363 2.661 20 30 CFEDMM CCN(C[C@H](C)C#N)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153600087 334674537 /nfs/dbraw/zinc/67/45/37/334674537.db2.gz APZHDUJCKBBRMR-SECBINFHSA-N -1 1 296.754 2.676 20 30 CFEDMM [O-]/N=C/c1ccc(F)c(-c2cnc(N3CCCC3)nc2)c1 ZINC001243315498 782131511 /nfs/dbraw/zinc/13/15/11/782131511.db2.gz FJGJHIWCQDEMLD-UFWORHAWSA-N -1 1 286.310 2.691 20 30 CFEDMM N#C[C@H]1CSCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000271673865 518196375 /nfs/dbraw/zinc/19/63/75/518196375.db2.gz AKCCMDRMFXXUFL-ZDUSSCGKSA-N -1 1 298.367 2.627 20 30 CFEDMM CC(C)[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336487652 519802590 /nfs/dbraw/zinc/80/25/90/519802590.db2.gz XMTJXBWVDQYIKW-ZDUSSCGKSA-N -1 1 258.321 2.524 20 30 CFEDMM Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000049487757 524807244 /nfs/dbraw/zinc/80/72/44/524807244.db2.gz OWOVRMOTKHJLKI-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)s1 ZINC000165822771 525596915 /nfs/dbraw/zinc/59/69/15/525596915.db2.gz RYUBUIFMDULRBS-UHFFFAOYSA-N -1 1 296.348 2.868 20 30 CFEDMM Cc1ccc(C(=O)N2CCc3ccc(C#N)cc32)c([O-])c1 ZINC000336371239 526134461 /nfs/dbraw/zinc/13/44/61/526134461.db2.gz QJEDYYQMARULRR-UHFFFAOYSA-N -1 1 278.311 2.775 20 30 CFEDMM N#Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccn1 ZINC000193631257 526545055 /nfs/dbraw/zinc/54/50/55/526545055.db2.gz IVVXYTXKBOGUPI-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCC(F)(F)C2)cc1[O-] ZINC000336156644 526598393 /nfs/dbraw/zinc/59/83/93/526598393.db2.gz INCANGDJNNEMML-JTQLQIEISA-N -1 1 294.301 2.819 20 30 CFEDMM N#Cc1ccc(F)c(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000050510664 526638786 /nfs/dbraw/zinc/63/87/86/526638786.db2.gz WFDYUBFMUZOAFO-HNNXBMFYSA-N -1 1 284.290 2.613 20 30 CFEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCCC1 ZINC000456652644 535799856 /nfs/dbraw/zinc/79/98/56/535799856.db2.gz FODOYBCBKRMJDC-CQSZACIVSA-N -1 1 272.348 2.962 20 30 CFEDMM C[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000736583863 574061614 /nfs/dbraw/zinc/06/16/14/574061614.db2.gz CLXRTOKNEFGWIT-JHKKWMAKSA-N -1 1 276.119 2.839 20 30 CFEDMM CC(N=Nc1ccccc1C(=O)[O-])c1cc(O)cc(O)c1 ZINC000753696504 574072671 /nfs/dbraw/zinc/07/26/71/574072671.db2.gz YUBDBHOQGOLLRA-UHFFFAOYSA-N -1 1 286.287 2.632 20 30 CFEDMM CCCCCCCC(C)N=Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000731155275 574111324 /nfs/dbraw/zinc/11/13/24/574111324.db2.gz WGJSLORBHGEIPF-UHFFFAOYSA-N -1 1 290.371 2.580 20 30 CFEDMM CC(N=Nc1ccccc1C(=O)[O-])c1nccs1 ZINC000732622004 574162976 /nfs/dbraw/zinc/16/29/76/574162976.db2.gz LKYMRYAVKNYBJX-UHFFFAOYSA-N -1 1 261.306 2.677 20 30 CFEDMM [O-]c1c(F)cccc1C=Nn1cnnc1-c1ccccc1 ZINC000755618119 574171961 /nfs/dbraw/zinc/17/19/61/574171961.db2.gz VIYRVSIKLYBBQF-UHFFFAOYSA-N -1 1 282.278 2.672 20 30 CFEDMM [O-]c1c(F)cccc1C=NNCc1cccc(F)c1 ZINC000755651793 574175479 /nfs/dbraw/zinc/17/54/79/574175479.db2.gz NVJXITWRSAFRLZ-UHFFFAOYSA-N -1 1 262.259 2.794 20 30 CFEDMM COC(=O)c1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)[nH]1 ZINC000748440821 574252711 /nfs/dbraw/zinc/25/27/11/574252711.db2.gz OCSDSYCSAYMWNT-FLIBITNWSA-N -1 1 297.310 2.719 20 30 CFEDMM C=CCOc1cccc(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000736113928 574351637 /nfs/dbraw/zinc/35/16/37/574351637.db2.gz HDMXYMDQFCBKET-UHFFFAOYSA-N -1 1 287.315 2.832 20 30 CFEDMM O=C([O-])c1occc1/C=C/C(=O)c1ccc(O)c(F)c1 ZINC000739214625 574376881 /nfs/dbraw/zinc/37/68/81/574376881.db2.gz FZQXGAHZFDIRNA-HNQUOIGGSA-N -1 1 276.219 2.719 20 30 CFEDMM O=C(C=Cc1ccc([O-])c(F)c1)c1cc[nH]c(=O)c1 ZINC000752874073 574396017 /nfs/dbraw/zinc/39/60/17/574396017.db2.gz CIGQSGRPQMYRCK-HNQUOIGGSA-N -1 1 259.236 2.528 20 30 CFEDMM Cc1nc(C#N)c(N=NCc2cccc(Cl)c2[O-])o1 ZINC000753161306 574399634 /nfs/dbraw/zinc/39/96/34/574399634.db2.gz DHJXFTSKUMAPDY-UHFFFAOYSA-N -1 1 276.683 2.660 20 30 CFEDMM Clc1cccc(NN=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822585576 599332267 /nfs/dbraw/zinc/33/22/67/599332267.db2.gz FWUUUIKNTLSSTF-UHFFFAOYSA-N -1 1 288.698 2.559 20 30 CFEDMM Clc1cccc(NN=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822585576 599332270 /nfs/dbraw/zinc/33/22/70/599332270.db2.gz FWUUUIKNTLSSTF-UHFFFAOYSA-N -1 1 288.698 2.559 20 30 CFEDMM Cc1cccc(F)c1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832969795 601305994 /nfs/dbraw/zinc/30/59/94/601305994.db2.gz PWLZMYIUXWYLIK-MRXNPFEDSA-N -1 1 298.317 2.921 20 30 CFEDMM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 ZINC000757471309 601825357 /nfs/dbraw/zinc/82/53/57/601825357.db2.gz ASDSCINYCFUUIX-FPYGCLRLSA-N -1 1 284.267 2.692 20 30 CFEDMM C#CCN(Cc1c[nH]c(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000825614101 604681757 /nfs/dbraw/zinc/68/17/57/604681757.db2.gz FWRNTXZZMFVNQW-KRWDZBQOSA-N -1 1 294.354 2.836 20 30 CFEDMM C#CCN(Cc1ccc(C(=O)[O-])cc1F)C1CCCC1 ZINC000833364613 604761479 /nfs/dbraw/zinc/76/14/79/604761479.db2.gz QNSICVKYKJJXST-UHFFFAOYSA-N -1 1 275.323 2.902 20 30 CFEDMM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccc(F)cc1F ZINC000833406011 605038145 /nfs/dbraw/zinc/03/81/45/605038145.db2.gz JUOJLXJTKDPDCJ-SECBINFHSA-N -1 1 293.273 2.858 20 30 CFEDMM C[C@H](C(=O)[O-])n1cccc1C=NNc1cccc(F)c1F ZINC000833407014 605040959 /nfs/dbraw/zinc/04/09/59/605040959.db2.gz QDIMZEZDKWBOLW-SECBINFHSA-N -1 1 293.273 2.858 20 30 CFEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(F)cn1 ZINC000770595516 605099202 /nfs/dbraw/zinc/09/92/02/605099202.db2.gz DRGDSSILHCARFM-UHFFFAOYSA-N -1 1 273.267 2.755 20 30 CFEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccccn1 ZINC000812442253 605100882 /nfs/dbraw/zinc/10/08/82/605100882.db2.gz WIMMIQYMJNFUEH-UHFFFAOYSA-N -1 1 255.277 2.616 20 30 CFEDMM Cc1cc(C(=O)[C@@H](C#N)c2ccccn2)ccc1NC(=O)[O-] ZINC000829904496 605347281 /nfs/dbraw/zinc/34/72/81/605347281.db2.gz NPHHOLSBUAOGJL-LBPRGKRZSA-N -1 1 295.298 2.970 20 30 CFEDMM C=CCN(CC=C)Cc1cccc2c1N(C(=O)[O-])CC2 ZINC000833787905 605460823 /nfs/dbraw/zinc/46/08/23/605460823.db2.gz HLLUVNFTIXSKCZ-UHFFFAOYSA-N -1 1 272.348 2.901 20 30 CFEDMM N#CC1CCN(Cc2cccc(NC(=O)[O-])c2)CC1 ZINC000833965458 605595494 /nfs/dbraw/zinc/59/54/94/605595494.db2.gz AWKQFTALLWMBOB-UHFFFAOYSA-N -1 1 259.309 2.512 20 30 CFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CC2CCCC2)o1 ZINC000824393318 607782860 /nfs/dbraw/zinc/78/28/60/607782860.db2.gz SCJKZHJHUXFOGI-UHFFFAOYSA-N -1 1 289.343 2.531 20 30 CFEDMM CCC[C@H](C)CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825232387 607886729 /nfs/dbraw/zinc/88/67/29/607886729.db2.gz GPOOJEXNIRASRR-VIFPVBQESA-N -1 1 291.359 2.812 20 30 CFEDMM CC(=NNc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823962513 608091841 /nfs/dbraw/zinc/09/18/41/608091841.db2.gz KUGYOMCYAIUJOU-UHFFFAOYSA-N -1 1 284.348 2.764 20 30 CFEDMM C=CCCC[C@@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000823894117 608332831 /nfs/dbraw/zinc/33/28/31/608332831.db2.gz HYRMFBHRNGDIMM-SECBINFHSA-N -1 1 292.364 2.830 20 30 CFEDMM C=CC(C)(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761206 617838032 /nfs/dbraw/zinc/83/80/32/617838032.db2.gz NIMKYOQSVAMYQM-UHFFFAOYSA-N -1 1 253.729 2.874 20 30 CFEDMM C=CCCCN(CC)C(=O)c1c([O-])c(O)ccc1F ZINC000900861055 620722939 /nfs/dbraw/zinc/72/29/39/620722939.db2.gz FNOASDVZJIRGDA-UHFFFAOYSA-N -1 1 267.300 2.665 20 30 CFEDMM Cc1noc(C)c1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000255168664 618046764 /nfs/dbraw/zinc/04/67/64/618046764.db2.gz LPALGNMOIDXROX-XQRVVYSFSA-N -1 1 259.261 2.599 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1C=NNC[C@@H]1CCSC1 ZINC000811657986 617688270 /nfs/dbraw/zinc/68/82/70/617688270.db2.gz BKYQPGOBIQQMAS-QMMMGPOBSA-N -1 1 288.775 2.861 20 30 CFEDMM C=C(Cl)CNC(=O)c1ccc(Br)cc1[O-] ZINC000077017920 617989786 /nfs/dbraw/zinc/98/97/86/617989786.db2.gz XJNUWYUAKLZQRC-UHFFFAOYSA-N -1 1 290.544 2.637 20 30 CFEDMM C[C@@H]1C[C@@H](NN=Cc2ccc([O-])c(F)c2F)C[C@H](C)O1 ZINC000901301019 620779550 /nfs/dbraw/zinc/77/95/50/620779550.db2.gz VMJHXTRDLBKUJP-DOFRTFSJSA-N -1 1 284.306 2.550 20 30 CFEDMM C[C@@H]1C[C@@H](NN=Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000901300736 620779629 /nfs/dbraw/zinc/77/96/29/620779629.db2.gz TWLNHAQSGSZREH-BZBKMWRSSA-N -1 1 284.306 2.550 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc3ccccc3o2)c(=O)o1 ZINC000255291348 618165063 /nfs/dbraw/zinc/16/50/63/618165063.db2.gz VTQVIEZHDGWZBZ-MWWKQMNYSA-N -1 1 296.278 2.661 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2cnn3ccccc23)c1 ZINC000176956132 618246945 /nfs/dbraw/zinc/24/69/45/618246945.db2.gz CTJPXPDPMWVGPY-FNORWQNLSA-N -1 1 294.310 2.945 20 30 CFEDMM C[C@@H]1CO[C@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000901372485 620793016 /nfs/dbraw/zinc/79/30/16/620793016.db2.gz FAZAQJWPFLWXRX-LRDDRELGSA-N -1 1 285.343 2.983 20 30 CFEDMM C=C[C@@](C)(CC)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000194580881 618299458 /nfs/dbraw/zinc/29/94/58/618299458.db2.gz QTVRJCKVUFAUQI-LBPRGKRZSA-N -1 1 254.717 2.981 20 30 CFEDMM CO[C@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370215 620796713 /nfs/dbraw/zinc/79/67/13/620796713.db2.gz VJTKABDBIULLRJ-LLVKDONJSA-N -1 1 259.305 2.593 20 30 CFEDMM CC[C@H]1CC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)O1 ZINC000901372865 620797662 /nfs/dbraw/zinc/79/76/62/620797662.db2.gz OKFAWRIUVOUBSV-STQMWFEESA-N -1 1 267.300 2.501 20 30 CFEDMM CCCCO[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374974 620798715 /nfs/dbraw/zinc/79/87/15/620798715.db2.gz YUEPEWDWCFJSLX-NSHDSACASA-N -1 1 269.316 2.749 20 30 CFEDMM N#C[C@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000895454703 618598316 /nfs/dbraw/zinc/59/83/16/618598316.db2.gz GZHSDANIFCYXRJ-GXSJLCMTSA-N -1 1 293.754 2.537 20 30 CFEDMM N#C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000928216413 619322917 /nfs/dbraw/zinc/32/29/17/619322917.db2.gz DGULURZHPQIWAK-VIFPVBQESA-N -1 1 298.264 2.787 20 30 CFEDMM N#C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000928224215 619325260 /nfs/dbraw/zinc/32/52/60/619325260.db2.gz VBRVFXVRTGTHAX-VIFPVBQESA-N -1 1 298.264 2.787 20 30 CFEDMM C=CCC1(O)CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000895827014 619612745 /nfs/dbraw/zinc/61/27/45/619612745.db2.gz HUWPHVRQSRBHCA-UHFFFAOYSA-N -1 1 283.318 2.573 20 30 CFEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896883842 619858658 /nfs/dbraw/zinc/85/86/58/619858658.db2.gz LWRCVRJMPOPISV-JTQLQIEISA-N -1 1 284.315 2.625 20 30 CFEDMM CC(C)(CC#N)CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897956002 620311230 /nfs/dbraw/zinc/31/12/30/620311230.db2.gz FIMLCROCYAVTIX-UHFFFAOYSA-N -1 1 298.342 2.921 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1c3c(nn1C)CCC3)O2 ZINC000899347702 620547237 /nfs/dbraw/zinc/54/72/37/620547237.db2.gz BTQPHZHIQGASLW-OVCLIPMQSA-N -1 1 296.326 2.539 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2c3c(nn2C)CCC3)c1 ZINC000899363044 620550814 /nfs/dbraw/zinc/55/08/14/620550814.db2.gz BULPFLQGKOYJDK-CLFYSBASSA-N -1 1 298.342 2.519 20 30 CFEDMM O=C(/C=C\c1cnn(C2CCC2)c1)c1cc(O)ccc1[O-] ZINC000899362395 620553238 /nfs/dbraw/zinc/55/32/38/620553238.db2.gz SFCPNDIDGKDVQQ-XQRVVYSFSA-N -1 1 284.315 2.915 20 30 CFEDMM C[C@@H](N[C@@H](c1ncccn1)C1CC1)c1cccc(C#N)c1[O-] ZINC000903323479 621323552 /nfs/dbraw/zinc/32/35/52/621323552.db2.gz NIINZAWZKBFDFP-IAQYHMDHSA-N -1 1 294.358 2.856 20 30 CFEDMM C=C(Br)CN[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000905378582 621757811 /nfs/dbraw/zinc/75/78/11/621757811.db2.gz DJTLABBXJXVITN-GFCCVEGCSA-N -1 1 298.180 2.927 20 30 CFEDMM C[C@@H](CC#N)C(=O)Nc1cccc([O-])c1Br ZINC000908708247 622266936 /nfs/dbraw/zinc/26/69/36/622266936.db2.gz SFEVLQYJYMVHLU-ZETCQYMHSA-N -1 1 283.125 2.643 20 30 CFEDMM Cc1nc(C)c(/C=C2\Oc3cc([O-])ccc3C2=O)o1 ZINC000821040542 622830485 /nfs/dbraw/zinc/83/04/85/622830485.db2.gz ZAWWGRDCHLCYCU-MLPAPPSSSA-N -1 1 257.245 2.613 20 30 CFEDMM CCCCCCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821049974 622832290 /nfs/dbraw/zinc/83/22/90/622832290.db2.gz OQMOKLLCDXONLH-UHFFFAOYSA-N -1 1 294.384 2.622 20 30 CFEDMM CCCCCCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821049974 622832293 /nfs/dbraw/zinc/83/22/93/622832293.db2.gz OQMOKLLCDXONLH-UHFFFAOYSA-N -1 1 294.384 2.622 20 30 CFEDMM Cc1ccc2ncc(/C=C3/Oc4cc([O-])ccc4C3=O)n2c1 ZINC000151398941 622905200 /nfs/dbraw/zinc/90/52/00/622905200.db2.gz WBIGKJUIMPOOON-GIDUJCDVSA-N -1 1 292.294 2.965 20 30 CFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000174669705 623474914 /nfs/dbraw/zinc/47/49/14/623474914.db2.gz WHVVSIMIBBTARC-UHFFFAOYSA-N -1 1 289.331 2.916 20 30 CFEDMM [O-]c1cc(F)c(Cl)cc1C=NNC12CC(C1)C2 ZINC000842544748 623491820 /nfs/dbraw/zinc/49/18/20/623491820.db2.gz YOBKJQSBVRNPLZ-UHFFFAOYSA-N -1 1 254.692 2.661 20 30 CFEDMM CCCOc1ccc(C=NNc2nc(C)cc(=O)[n-]2)cc1 ZINC000916241865 624232105 /nfs/dbraw/zinc/23/21/05/624232105.db2.gz YPQWZNRUEIDOTL-UHFFFAOYSA-N -1 1 286.335 2.725 20 30 CFEDMM CCc1cc(=O)[n-]c(SCC2(C#N)CCCC2)n1 ZINC000917507621 624350131 /nfs/dbraw/zinc/35/01/31/624350131.db2.gz BTGXJXGZFVTRMU-UHFFFAOYSA-N -1 1 263.366 2.921 20 30 CFEDMM Cc1cc(C)c2c(c1)C(=NNc1nc(C)cc(=O)[n-]1)CCO2 ZINC000920359392 624714886 /nfs/dbraw/zinc/71/48/86/624714886.db2.gz LJNGFBLWUPHNII-UHFFFAOYSA-N -1 1 298.346 2.706 20 30 CFEDMM C#C[C@@H](CC)NC(=O)c1ccc2ccccc2c1[O-] ZINC000233888648 624959537 /nfs/dbraw/zinc/95/95/37/624959537.db2.gz BHKBXDKNTMOQPC-LBPRGKRZSA-N -1 1 253.301 2.687 20 30 CFEDMM N#CC1(C(=O)NCc2ccc([O-])c(Cl)c2)CCCC1 ZINC000834833694 625892922 /nfs/dbraw/zinc/89/29/22/625892922.db2.gz IOLUGRKGSHFWOP-UHFFFAOYSA-N -1 1 278.739 2.746 20 30 CFEDMM C[C@@H]1C[C@H]1c1ccc(CN=Nc2ccc(C(=O)[O-])nc2)o1 ZINC000835007429 625954581 /nfs/dbraw/zinc/95/45/81/625954581.db2.gz TWZSDARZEWTVPV-BXKDBHETSA-N -1 1 285.303 2.942 20 30 CFEDMM O=C([O-])COc1cccc(/C=C\C(=O)c2ccccc2O)c1 ZINC000757475229 626553151 /nfs/dbraw/zinc/55/31/51/626553151.db2.gz QRLOSTCMDHOTRA-HJWRWDBZSA-N -1 1 298.294 2.752 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cnc(C(C)C)s2)n1 ZINC000758354915 626589486 /nfs/dbraw/zinc/58/94/86/626589486.db2.gz PFBRMIXUYUIPAH-UHFFFAOYSA-N -1 1 277.353 2.517 20 30 CFEDMM N#CC(=C([O-])C=Cc1ccc2[nH]ccc2c1)c1ccncn1 ZINC000760358468 626740047 /nfs/dbraw/zinc/74/00/47/626740047.db2.gz PHQQOVDKZNHLGX-PMUGQKEBSA-N -1 1 288.310 2.848 20 30 CFEDMM Cn1cnc2cc(/C=C3\Oc4cc([O-])ccc4C3=O)ccc21 ZINC000761201419 626815339 /nfs/dbraw/zinc/81/53/39/626815339.db2.gz TYZJNOGUSJJUPG-APSNUPSMSA-N -1 1 292.294 2.895 20 30 CFEDMM COCC#CCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000762821589 626940705 /nfs/dbraw/zinc/94/07/05/626940705.db2.gz ZCDPPQSDXMUIRM-UHFFFAOYSA-N -1 1 289.114 2.506 20 30 CFEDMM O=C([O-])c1ccc(N=NCc2cccc(F)c2F)nc1 ZINC000763368494 626983063 /nfs/dbraw/zinc/98/30/63/626983063.db2.gz MOJQGXOOODIOAZ-UHFFFAOYSA-N -1 1 277.230 2.504 20 30 CFEDMM CC(=NOCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000764834291 627099713 /nfs/dbraw/zinc/09/97/13/627099713.db2.gz BNUWBAWAQGIWQA-UHFFFAOYSA-N -1 1 251.179 2.834 20 30 CFEDMM N#CCOc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000767297424 627242495 /nfs/dbraw/zinc/24/24/95/627242495.db2.gz IAMFXUFOQKRUFN-UHFFFAOYSA-N -1 1 286.262 2.686 20 30 CFEDMM CC#CCCCC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000767666083 627271157 /nfs/dbraw/zinc/27/11/57/627271157.db2.gz LWTSOGQLDYLOET-UHFFFAOYSA-N -1 1 288.343 2.874 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cncs1)O2 ZINC000767720492 627280317 /nfs/dbraw/zinc/28/03/17/627280317.db2.gz CAMDSAXNBPRNOX-NYYWCZLTSA-N -1 1 259.286 2.773 20 30 CFEDMM CC(C)C[C@@H](C#N)NC(=O)c1c([O-])cccc1Cl ZINC000769752825 627471988 /nfs/dbraw/zinc/47/19/88/627471988.db2.gz KTNYXVVEAZPELB-VIFPVBQESA-N -1 1 266.728 2.714 20 30 CFEDMM C[C@@H](C#N)CN(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000770112071 627502390 /nfs/dbraw/zinc/50/23/90/627502390.db2.gz SIDRNQIHABDXFX-VIFPVBQESA-N -1 1 278.739 2.810 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cnccc1C ZINC000771557802 627613412 /nfs/dbraw/zinc/61/34/12/627613412.db2.gz NFJJHPMWUHBGHW-UHFFFAOYSA-N -1 1 299.330 2.933 20 30 CFEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(C#N)cc1 ZINC000772991453 627765220 /nfs/dbraw/zinc/76/52/20/627765220.db2.gz UUXVHCXVQSARBC-UHFFFAOYSA-N -1 1 281.319 2.589 20 30 CFEDMM N#Cc1cccc(COC(=O)c2ccc([O-])cc2F)c1 ZINC000773566073 627838404 /nfs/dbraw/zinc/83/84/04/627838404.db2.gz CCQIXGXRHIEQGR-UHFFFAOYSA-N -1 1 271.247 2.760 20 30 CFEDMM C#CCCCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000774277705 627911195 /nfs/dbraw/zinc/91/11/95/627911195.db2.gz UMRZGCMFGZRBAA-UHFFFAOYSA-N -1 1 283.331 2.914 20 30 CFEDMM CCC(=NOC1CCOCC1)c1ccc([O-])c(F)c1 ZINC000774450458 627928134 /nfs/dbraw/zinc/92/81/34/627928134.db2.gz GPPPEDHIFNHJNW-UHFFFAOYSA-N -1 1 267.300 2.841 20 30 CFEDMM CCC(CC)CNN=Cc1n[nH]c2cc(C(=O)[O-])ccc12 ZINC000774473727 627930331 /nfs/dbraw/zinc/93/03/31/627930331.db2.gz VXGRVCVSWWEKBL-UHFFFAOYSA-N -1 1 288.351 2.621 20 30 CFEDMM C[C@@H](C#N)CN(Cc1cc(=O)oc2cc([O-])ccc12)C1CC1 ZINC000777711991 628247676 /nfs/dbraw/zinc/24/76/76/628247676.db2.gz GGSPBIVGJGRLNG-NSHDSACASA-N -1 1 298.342 2.623 20 30 CFEDMM C#CC[C@@H](NC(=O)c1ncc(C)cc1[O-])c1ccccc1 ZINC000779026769 628346410 /nfs/dbraw/zinc/34/64/10/628346410.db2.gz KPPRLMPATBYIKG-CQSZACIVSA-N -1 1 280.327 2.590 20 30 CFEDMM O=C([O-])c1ccccc1N=NC1CCc2cc(O)ccc21 ZINC000780202324 628439064 /nfs/dbraw/zinc/43/90/64/628439064.db2.gz VMGWUUQBKZATJE-UHFFFAOYSA-N -1 1 282.299 2.853 20 30 CFEDMM CC(=NN[C@H]1CCOC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000780249970 628445379 /nfs/dbraw/zinc/44/53/79/628445379.db2.gz JKTIYHZCTZXPIF-NSHDSACASA-N -1 1 298.333 2.942 20 30 CFEDMM C#CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000785413248 628880466 /nfs/dbraw/zinc/88/04/66/628880466.db2.gz HGNANPHOWWJIGC-MRXNPFEDSA-N -1 1 290.322 2.758 20 30 CFEDMM CC(=NN[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000788439562 629067064 /nfs/dbraw/zinc/06/70/64/629067064.db2.gz BGTZBHYYORWUFZ-QMMMGPOBSA-N -1 1 289.162 2.802 20 30 CFEDMM CC(=NN[C@@H](CO)c1ccccc1)c1ccc(F)cc1[O-] ZINC000788457345 629070105 /nfs/dbraw/zinc/07/01/05/629070105.db2.gz JROJLNSXPGRXEB-HNNXBMFYSA-N -1 1 288.322 2.579 20 30 CFEDMM O=C([O-])[C@H]1CCC(N=Nc2ccnc(F)c2)c2ccccc21 ZINC000789037630 629119590 /nfs/dbraw/zinc/11/95/90/629119590.db2.gz PBKGQEFEAYNCED-ZDUSSCGKSA-N -1 1 299.305 2.999 20 30 CFEDMM CCOCCON=Cc1c([O-])ccc(Cl)c1F ZINC000790176079 629216417 /nfs/dbraw/zinc/21/64/17/629216417.db2.gz MJAKSQZNTNRTAV-UHFFFAOYSA-N -1 1 261.680 2.572 20 30 CFEDMM [O-]c1ccc(CN=Nc2nc3ccccn3n2)cc1Cl ZINC000790199226 629219985 /nfs/dbraw/zinc/21/99/85/629219985.db2.gz WUAHIWKKVUDRQV-UHFFFAOYSA-N -1 1 287.710 2.534 20 30 CFEDMM N#Cc1ccc(COC(=O)c2ccc([O-])cc2F)cc1F ZINC000791440367 629315904 /nfs/dbraw/zinc/31/59/04/629315904.db2.gz UPZYNABZESENLD-UHFFFAOYSA-N -1 1 289.237 2.899 20 30 CFEDMM CC(=O)c1cc(N=Cc2ccc(O)c([O-])c2O)ccc1F ZINC000794676201 629673845 /nfs/dbraw/zinc/67/38/45/629673845.db2.gz KHTODBZOZWOEAP-UHFFFAOYSA-N -1 1 289.262 2.896 20 30 CFEDMM CC(C)n1nccc1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000794936933 629707228 /nfs/dbraw/zinc/70/72/28/629707228.db2.gz DARRTHVLRACEEI-VGOFMYFVSA-N -1 1 270.288 2.786 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1c(F)ccc(O)c1F ZINC000794937615 629707456 /nfs/dbraw/zinc/70/74/56/629707456.db2.gz HHUWPNUJSBYOKM-AWNIVKPZSA-N -1 1 290.221 2.992 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1c(F)ccc(O)c1F ZINC000794937617 629707831 /nfs/dbraw/zinc/70/78/31/629707831.db2.gz HHUWPNUJSBYOKM-MLPAPPSSSA-N -1 1 290.221 2.992 20 30 CFEDMM Cn1cc2c(n1)CC/C(=C/c1ccc([O-])c(Cl)c1)C2=O ZINC000794961004 629709998 /nfs/dbraw/zinc/70/99/98/629709998.db2.gz BCBRVPOBBFQFCF-POHAHGRESA-N -1 1 288.734 2.992 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000798038254 630143692 /nfs/dbraw/zinc/14/36/92/630143692.db2.gz DIGFSNOVEQKQPT-HZMBPMFUSA-N -1 1 295.766 2.757 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C\c2ccn(C)n2)c([O-])c1 ZINC000799895313 630352627 /nfs/dbraw/zinc/35/26/27/630352627.db2.gz OWAVNSDQGMNTOU-PLNGDYQASA-N -1 1 256.305 2.639 20 30 CFEDMM C=CCCCOC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000801203272 630433607 /nfs/dbraw/zinc/43/36/07/630433607.db2.gz SFXQTEQHXIESHX-UHFFFAOYSA-N -1 1 272.304 2.701 20 30 CFEDMM C=C(CC)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801325269 630441908 /nfs/dbraw/zinc/44/19/08/630441908.db2.gz ANYARZUXLVTKRA-UHFFFAOYSA-N -1 1 290.294 2.840 20 30 CFEDMM Cc1ccc(-n2cc([O-])c(C(=O)OCCCCC#N)n2)cc1 ZINC000801370417 630442788 /nfs/dbraw/zinc/44/27/88/630442788.db2.gz NAFQTPQNJHNCBI-UHFFFAOYSA-N -1 1 299.330 2.737 20 30 CFEDMM C=CCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801370332 630442851 /nfs/dbraw/zinc/44/28/51/630442851.db2.gz ARVLCALASBMXTR-UHFFFAOYSA-N -1 1 278.695 2.574 20 30 CFEDMM C=CCCCCCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000808471576 630998915 /nfs/dbraw/zinc/99/89/15/630998915.db2.gz OSWZFRDBAJSJFO-UHFFFAOYSA-N -1 1 299.374 2.789 20 30 CFEDMM C#CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000809736682 631274364 /nfs/dbraw/zinc/27/43/64/631274364.db2.gz FUBFKEFLNOKDSN-QGZVFWFLSA-N -1 1 290.322 2.758 20 30 CFEDMM CC(NNc1ccccc1C(=O)[O-])=C1CC1(F)F ZINC000841613719 631430769 /nfs/dbraw/zinc/43/07/69/631430769.db2.gz GRZPESYUGXLBHL-VIFPVBQESA-N -1 1 254.236 2.828 20 30 CFEDMM COCCCON=C(C)c1ccc(Cl)cc1[O-] ZINC000841638508 631440386 /nfs/dbraw/zinc/44/03/86/631440386.db2.gz UZUVCBTXCOWVTJ-UHFFFAOYSA-N -1 1 257.717 2.823 20 30 CFEDMM Cn1cc(/C=C/C(=O)c2ccc([O-])cc2)c(C(F)F)n1 ZINC000812240939 631677745 /nfs/dbraw/zinc/67/77/45/631677745.db2.gz XKZQIYKCUGLAJN-QPJJXVBHSA-N -1 1 278.258 2.959 20 30 CFEDMM C#C[C@@H](NC(=O)c1ncccc1[O-])c1ccc(Cl)cc1 ZINC000812353694 631695139 /nfs/dbraw/zinc/69/51/39/631695139.db2.gz WKTGZFQBIVOWCJ-GFCCVEGCSA-N -1 1 286.718 2.545 20 30 CFEDMM CC(C)OCCON=c1ccc(C(F)(F)F)c(C#N)[n-]1 ZINC000812488966 631725935 /nfs/dbraw/zinc/72/59/35/631725935.db2.gz PPBZJJAZVWXSJS-UHFFFAOYSA-N -1 1 289.257 2.741 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1cccc(C#N)n1 ZINC000842821129 631751397 /nfs/dbraw/zinc/75/13/97/631751397.db2.gz PEAMXUMMZORNHM-UHFFFAOYSA-N -1 1 281.381 2.665 20 30 CFEDMM O=c1c2ccccc2ncn1N=Cc1cccc([O-])c1Cl ZINC000814767303 632119954 /nfs/dbraw/zinc/11/99/54/632119954.db2.gz GLHQZCVIXDCTDE-UHFFFAOYSA-N -1 1 299.717 2.638 20 30 CFEDMM CCC(C=NNc1nc(=O)c2cnn(C)c2[n-]1)(CC)CC ZINC000814847762 632137933 /nfs/dbraw/zinc/13/79/33/632137933.db2.gz CCWDRTYVCSTZRP-UHFFFAOYSA-N -1 1 290.371 2.683 20 30 CFEDMM CC(C)(C)OC(=O)CCNN=Cc1cccc([O-])c1Cl ZINC000814901669 632156027 /nfs/dbraw/zinc/15/60/27/632156027.db2.gz UBJKSBUPUNFIIG-UHFFFAOYSA-N -1 1 298.770 2.701 20 30 CFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ncoc2C)cc1 ZINC000105757401 632363199 /nfs/dbraw/zinc/36/31/99/632363199.db2.gz FBEHNJQOFOJYGS-ZDUSSCGKSA-N -1 1 297.314 2.507 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2cc3n(n2)CCCC3)c1 ZINC000848641073 633306482 /nfs/dbraw/zinc/30/64/82/633306482.db2.gz ZKVVGLVDMOXSJU-FNORWQNLSA-N -1 1 298.342 2.830 20 30 CFEDMM COc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])ccc1O ZINC000108018341 633415094 /nfs/dbraw/zinc/41/50/94/633415094.db2.gz WKFRQLXEGGKRPP-DJWKRKHSSA-N -1 1 286.283 2.708 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cn(C2CCC2)nn1 ZINC000849249118 633590602 /nfs/dbraw/zinc/59/06/02/633590602.db2.gz FJOXEUUNRVMORQ-XFFZJAGNSA-N -1 1 281.315 2.531 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccnn1CC1CC1 ZINC000849249752 633591369 /nfs/dbraw/zinc/59/13/69/633591369.db2.gz MCOAHGOZJJIWJZ-MDWZMJQESA-N -1 1 280.327 2.821 20 30 CFEDMM C=CC(C)(C)CCOC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000851300145 634310954 /nfs/dbraw/zinc/31/09/54/634310954.db2.gz LIXAKRKMNZKJCS-UHFFFAOYSA-N -1 1 265.309 2.560 20 30 CFEDMM C#CCOCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000853896451 635149314 /nfs/dbraw/zinc/14/93/14/635149314.db2.gz CLEHWJVRFCEHAD-UHFFFAOYSA-N -1 1 289.114 2.506 20 30 CFEDMM C=CCCONC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000856028800 635704635 /nfs/dbraw/zinc/70/46/35/635704635.db2.gz QDQGAZCQKRETEX-UHFFFAOYSA-N -1 1 285.727 2.682 20 30 CFEDMM C#CC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000862574196 637439004 /nfs/dbraw/zinc/43/90/04/637439004.db2.gz HETZSLFMUCFISX-SNVBAGLBSA-N -1 1 297.276 2.896 20 30 CFEDMM N#Cc1cc(-c2csc(O[C@@H]3CCOC3)n2)ccc1[O-] ZINC000863975809 637828113 /nfs/dbraw/zinc/82/81/13/637828113.db2.gz JZYARFMVACKGIZ-LLVKDONJSA-N -1 1 288.328 2.555 20 30 CFEDMM CC(C)OCCON=c1cc(C(F)(F)F)cc(C#N)[n-]1 ZINC000865823976 638593749 /nfs/dbraw/zinc/59/37/49/638593749.db2.gz XGGZUIRYFKFNGV-UHFFFAOYSA-N -1 1 289.257 2.741 20 30 CFEDMM COCc1ccnc(N[C@@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866384051 638810472 /nfs/dbraw/zinc/81/04/72/638810472.db2.gz FXTXUKQHJHXUFG-NSHDSACASA-N -1 1 283.331 2.978 20 30 CFEDMM O=C(/C=C/c1cn(C2CCC2)nn1)c1cccc([O-])c1F ZINC000871672024 641394776 /nfs/dbraw/zinc/39/47/76/641394776.db2.gz LYBIJWODEULBHB-BQYQJAHWSA-N -1 1 287.294 2.744 20 30 CFEDMM C=C(C)CNC(=S)NCc1ccc([O-])c(Cl)c1 ZINC000871684349 641402174 /nfs/dbraw/zinc/40/21/74/641402174.db2.gz VOGYPOCMBRBKPN-UHFFFAOYSA-N -1 1 270.785 2.586 20 30 CFEDMM C=C[C@@H](CCC(=O)[O-])NCc1c(F)cccc1OCC ZINC000871878629 641496203 /nfs/dbraw/zinc/49/62/03/641496203.db2.gz QIBKEQFNHNAEPU-NSHDSACASA-N -1 1 281.327 2.733 20 30 CFEDMM CC(=NOCC(F)(F)F)c1c([O-])cccc1F ZINC000884440518 646358766 /nfs/dbraw/zinc/35/87/66/646358766.db2.gz KDMBMLFAQFHANI-UHFFFAOYSA-N -1 1 251.179 2.834 20 30 CFEDMM C=CCCCCCC[N-]S(=O)(=O)c1ccns1 ZINC000885188503 646633364 /nfs/dbraw/zinc/63/33/64/646633364.db2.gz YLWRSKOUXVGRGX-UHFFFAOYSA-N -1 1 274.411 2.558 20 30 CFEDMM C#CCC1(NC(=O)c2cnc(C3CC3)[n-]c2=O)CCCCC1 ZINC000886658692 647093340 /nfs/dbraw/zinc/09/33/40/647093340.db2.gz MEDGSRBYBWGCHE-UHFFFAOYSA-N -1 1 299.374 2.516 20 30 CFEDMM C[C@]12CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000887874727 647427085 /nfs/dbraw/zinc/42/70/85/647427085.db2.gz DRCYJCMZKUKQNS-ZJQCNOOHSA-N -1 1 294.354 2.548 20 30 CFEDMM CC[C@H](Nc1cn(C)nc1OC)c1cccc(C#N)c1[O-] ZINC000926260692 648450370 /nfs/dbraw/zinc/45/03/70/648450370.db2.gz VHUMVMIMIYKZKP-LBPRGKRZSA-N -1 1 286.335 2.569 20 30 CFEDMM COc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1O ZINC000588534984 770950111 /nfs/dbraw/zinc/95/01/11/770950111.db2.gz AHKISIFJVJUPSF-WUXMJOGZSA-N -1 1 282.295 2.929 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cccc2c1OCO2 ZINC000588535083 770950212 /nfs/dbraw/zinc/95/02/12/770950212.db2.gz IFQNJHODVLVQAL-SDQBBNPISA-N -1 1 280.279 2.943 20 30 CFEDMM CC(=O)CNc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001167629784 773199519 /nfs/dbraw/zinc/19/95/19/773199519.db2.gz QGVJNJPVQDGZFM-OMCISZLKSA-N -1 1 260.215 2.514 20 30 CFEDMM [O-]/N=C/c1cccc(OC[C@H]2CC[C@]3(CCCCO3)O2)c1 ZINC001226115173 775704172 /nfs/dbraw/zinc/70/41/72/775704172.db2.gz WZEWKNJXQZRGPU-XEBPYGPHSA-N -1 1 291.347 2.949 20 30 CFEDMM CCC1=C(Oc2[n-]c(=S)ncc2C2CC2)C(=O)[C@@H](C)O1 ZINC001226118196 775705107 /nfs/dbraw/zinc/70/51/07/775705107.db2.gz CODXZTGARHJMQO-SSDOTTSWSA-N -1 1 292.360 2.631 20 30 CFEDMM C=C(Br)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000136272677 775816656 /nfs/dbraw/zinc/81/66/56/775816656.db2.gz YCFOUZLFEHBKTF-UHFFFAOYSA-N -1 1 290.544 2.684 20 30 CFEDMM C#CC[C@H](CC)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226485585 775843699 /nfs/dbraw/zinc/84/36/99/775843699.db2.gz MZWATAIDXJTDTJ-LBPRGKRZSA-N -1 1 272.300 2.988 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC[C@H]1CCCO1 ZINC001227120505 776107210 /nfs/dbraw/zinc/10/72/10/776107210.db2.gz MRBUIEHJHNCQLZ-GFCCVEGCSA-N -1 1 276.332 2.881 20 30 CFEDMM CC#CC[C@@H](CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227172031 776122369 /nfs/dbraw/zinc/12/23/69/776122369.db2.gz JWSANRYEFFHCPZ-CYBMUJFWSA-N -1 1 276.332 2.792 20 30 CFEDMM C#C[C@@H](CCCC)Oc1cc([O-])ccc1C(=O)COC ZINC001227172064 776123171 /nfs/dbraw/zinc/12/31/71/776123171.db2.gz KDZPKYXMLMWSRE-ZDUSSCGKSA-N -1 1 276.332 2.792 20 30 CFEDMM C[C@H](Oc1ccc([O-])c(C#N)c1C#N)c1cccnc1 ZINC001227615354 776244566 /nfs/dbraw/zinc/24/45/66/776244566.db2.gz TXNFOFRDXTXIIZ-JTQLQIEISA-N -1 1 265.272 2.671 20 30 CFEDMM COc1ccc([C@@H](C)Oc2ccc([O-])c(C#N)c2C#N)cn1 ZINC001227617926 776246753 /nfs/dbraw/zinc/24/67/53/776246753.db2.gz JFJXFMBQRYUDQG-SNVBAGLBSA-N -1 1 295.298 2.679 20 30 CFEDMM N#Cc1c([O-])ccc(O[C@@H](C#N)c2ccccc2)c1C#N ZINC001227620250 776247093 /nfs/dbraw/zinc/24/70/93/776247093.db2.gz ZDMKIKVAKIPSAP-INIZCTEOSA-N -1 1 275.267 2.779 20 30 CFEDMM N#CCN1CC[C@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227641116 776249492 /nfs/dbraw/zinc/24/94/92/776249492.db2.gz KCDAUYACQYTTCM-QMMMGPOBSA-N -1 1 287.146 2.676 20 30 CFEDMM O=C1C=C[C@@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227645818 776249606 /nfs/dbraw/zinc/24/96/06/776249606.db2.gz LQIYWIOEDAZORF-SSDOTTSWSA-N -1 1 259.088 2.975 20 30 CFEDMM C[C@H]1OCc2c1nc(=O)[n-]c2O[C@@H](CC#N)c1ccccc1 ZINC001227713581 776266776 /nfs/dbraw/zinc/26/67/76/776266776.db2.gz PBTHOPFMFIYOBF-MFKMUULPSA-N -1 1 297.314 2.807 20 30 CFEDMM C[C@@H]1OCc2c1nc(=O)[n-]c2O[C@H](CC#N)c1ccccc1 ZINC001227713580 776267332 /nfs/dbraw/zinc/26/73/32/776267332.db2.gz PBTHOPFMFIYOBF-GXFFZTMASA-N -1 1 297.314 2.807 20 30 CFEDMM N#Cc1ccc([O-])cc1OC1CN(Cc2ccccc2)C1 ZINC001228005162 776358218 /nfs/dbraw/zinc/35/82/18/776358218.db2.gz IBMKQAQIWRHHHG-UHFFFAOYSA-N -1 1 280.327 2.527 20 30 CFEDMM CC(C)(C)C(=O)OC1CC(Oc2cc([O-])ccc2C#N)C1 ZINC001228008714 776361431 /nfs/dbraw/zinc/36/14/31/776361431.db2.gz YTKMISFATCFVGZ-UHFFFAOYSA-N -1 1 289.331 2.763 20 30 CFEDMM N#Cc1ccc([O-])cc1OC[C@@H]1CC[C@@]2(CCCCO2)O1 ZINC001228008475 776361775 /nfs/dbraw/zinc/36/17/75/776361775.db2.gz XXWJTYQMESWOFT-GOEBONIOSA-N -1 1 289.331 2.718 20 30 CFEDMM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228143050 776408655 /nfs/dbraw/zinc/40/86/55/776408655.db2.gz JBGMGLCFBPBCRD-MNOVXSKESA-N -1 1 291.307 2.770 20 30 CFEDMM N#C[C@H]1CC[C@@H](Oc2[n-]c(=S)nc3ccccc32)C1 ZINC001228760456 776601802 /nfs/dbraw/zinc/60/18/02/776601802.db2.gz MTCAUWSDENVLJA-VHSXEESVSA-N -1 1 271.345 2.990 20 30 CFEDMM C=C[C@H](CC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229217677 776753828 /nfs/dbraw/zinc/75/38/28/776753828.db2.gz DEGPLLYCUMLKOO-SNVBAGLBSA-N -1 1 276.288 2.851 20 30 CFEDMM C=C1O[C@H](CC)C(=O)C1Oc1cc([O-])ccc1C(=O)CC ZINC001229477897 776824868 /nfs/dbraw/zinc/82/48/68/776824868.db2.gz QXMRTRBKADIBEE-CYBMUJFWSA-N -1 1 290.315 2.973 20 30 CFEDMM C#CC(C#C)Oc1ccc2c(=O)c3ccc([O-])cc3oc2c1 ZINC001229515547 776837545 /nfs/dbraw/zinc/83/75/45/776837545.db2.gz VHGNNTTZPJPUJT-UHFFFAOYSA-N -1 1 290.274 2.666 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@H](C)c1cncnc1 ZINC001229737445 776883885 /nfs/dbraw/zinc/88/38/85/776883885.db2.gz ZGECNFYZMPFWME-JDAJCMJVSA-N -1 1 257.293 2.815 20 30 CFEDMM CC[C@H]1OC(=O)C(Oc2ccccc2/C(C)=N/[O-])=C1C ZINC001229737373 776884076 /nfs/dbraw/zinc/88/40/76/776884076.db2.gz WHJHDFPESZHLGP-HMHNVIDESA-N -1 1 275.304 2.873 20 30 CFEDMM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nc(C(=O)OC)c[n-]2)C1 ZINC001230279070 776971425 /nfs/dbraw/zinc/97/14/25/776971425.db2.gz BWTGIMGLEWAOKG-AAEUAGOBSA-N -1 1 276.336 2.876 20 30 CFEDMM O=C(c1ccc([O-])cc1)c1ccccc1O[C@H]1C=CC(=O)C1 ZINC001231231799 777175263 /nfs/dbraw/zinc/17/52/63/777175263.db2.gz XBHBFSABNXADPO-HNNXBMFYSA-N -1 1 294.306 2.900 20 30 CFEDMM N#CCC1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001231457722 777225232 /nfs/dbraw/zinc/22/52/32/777225232.db2.gz NISYJHCBAODXFR-UHFFFAOYSA-N -1 1 276.311 2.650 20 30 CFEDMM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)[O-])ccc1F ZINC001231458484 777226633 /nfs/dbraw/zinc/22/66/33/777226633.db2.gz JVWVWQLHBATTQR-OJNYZHBWSA-N -1 1 288.322 2.790 20 30 CFEDMM COc1ccc(CN2CCC[C@H](CC#N)C2)cc1C(=O)[O-] ZINC001231752237 777323819 /nfs/dbraw/zinc/32/38/19/777323819.db2.gz OSJXKGPWCVPTNR-GFCCVEGCSA-N -1 1 288.347 2.519 20 30 CFEDMM CCCCN(CCC#N)Cc1cc(C#N)ccc1[O-] ZINC001232675673 777638404 /nfs/dbraw/zinc/63/84/04/777638404.db2.gz COHMQORHNQRRRS-UHFFFAOYSA-N -1 1 257.337 2.780 20 30 CFEDMM C#C[C@@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232973318 777749068 /nfs/dbraw/zinc/74/90/68/777749068.db2.gz TVMQHOIEUVGAST-SNVBAGLBSA-N -1 1 251.276 2.516 20 30 CFEDMM N#Cc1ccc(CN2CC(OCc3ccccc3)C2)c([O-])c1 ZINC001233386356 777928907 /nfs/dbraw/zinc/92/89/07/777928907.db2.gz QKAKEMDTELLODW-UHFFFAOYSA-N -1 1 294.354 2.665 20 30 CFEDMM C=CC[C@H](CCCC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141780 778016181 /nfs/dbraw/zinc/01/61/81/778016181.db2.gz UXBBRUTXDKYFBN-SECBINFHSA-N -1 1 267.285 2.604 20 30 CFEDMM CCCC(=O)c1ccc([O-])cc1O[C@H]1C=CC(=O)C1 ZINC001233650471 778025229 /nfs/dbraw/zinc/02/52/29/778025229.db2.gz KNIQHQYXNVBIJV-LBPRGKRZSA-N -1 1 260.289 2.651 20 30 CFEDMM C=C[C@@H](CCCC)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234565835 778254216 /nfs/dbraw/zinc/25/42/16/778254216.db2.gz PNSFCFVSMXDESU-JTQLQIEISA-N -1 1 293.367 2.528 20 30 CFEDMM CCOC(=O)[C@H]1CC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234817819 778301229 /nfs/dbraw/zinc/30/12/29/778301229.db2.gz ABSHUVVCBZHEDY-WCQYABFASA-N -1 1 277.320 2.605 20 30 CFEDMM COC(=O)[C@H]1CC[C@H](Oc2ccccc2C=N[O-])CC1 ZINC001234820265 778302638 /nfs/dbraw/zinc/30/26/38/778302638.db2.gz UDPFMYKBDFZUGX-AULYBMBSSA-N -1 1 277.320 2.605 20 30 CFEDMM [O-]N=Cc1ccccc1OC[C@H]1Cc2ccccc2O1 ZINC001234823448 778302827 /nfs/dbraw/zinc/30/28/27/778302827.db2.gz UWCAWGYQFQJSHX-CQSZACIVSA-N -1 1 269.300 2.877 20 30 CFEDMM CCOC(=O)CC1CC(Oc2ccccc2C=N[O-])C1 ZINC001234823698 778302952 /nfs/dbraw/zinc/30/29/52/778302952.db2.gz WZRNOEJWZPVXMW-UHFFFAOYSA-N -1 1 277.320 2.605 20 30 CFEDMM N#C[C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127211 779021771 /nfs/dbraw/zinc/02/17/71/779021771.db2.gz WQWFGZGUHLERBY-MRVPVSSYSA-N -1 1 254.692 2.530 20 30 CFEDMM CC(=O)c1cc(O)c([O-])cc1OC1CCC(C#N)CC1 ZINC001234474256 779234216 /nfs/dbraw/zinc/23/42/16/779234216.db2.gz PUUVLYRFXXLNMY-UHFFFAOYSA-N -1 1 275.304 2.762 20 30 CFEDMM C=CC[C@@H](Oc1[n-]c(=O)c(F)cc1C(=O)OC)C(C)C ZINC001234606740 779252888 /nfs/dbraw/zinc/25/28/88/779252888.db2.gz LMXFSDHBRXYSFW-LLVKDONJSA-N -1 1 283.299 2.692 20 30 CFEDMM N#Cc1nc(-c2cncc([O-])c2)ccc1C(F)(F)F ZINC001236575369 779585368 /nfs/dbraw/zinc/58/53/68/779585368.db2.gz NAMPIIBBOLZIJC-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM Cc1cc(Br)c([O-])c(CN2CC[C@H](C#N)C2)c1 ZINC001236670421 779618735 /nfs/dbraw/zinc/61/87/35/779618735.db2.gz XXEMDTVNGDKCCO-SNVBAGLBSA-N -1 1 295.180 2.809 20 30 CFEDMM N#Cc1cc(-c2ccc([O-])c(F)c2)nc(C2CC2)n1 ZINC001240786066 780440899 /nfs/dbraw/zinc/44/08/99/780440899.db2.gz KBLQCUZPWHWHFI-UHFFFAOYSA-N -1 1 255.252 2.737 20 30 CFEDMM COC[C@@H](C)OC[C@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229737577 780462048 /nfs/dbraw/zinc/46/20/48/780462048.db2.gz BNWFYAARJHLTNP-KBUSKATCSA-N -1 1 281.352 2.704 20 30 CFEDMM N#Cc1cnc(-c2c(F)ccc([O-])c2F)c(F)c1 ZINC001241289385 780758397 /nfs/dbraw/zinc/75/83/97/780758397.db2.gz UCWLIKMLEGLTGG-UHFFFAOYSA-N -1 1 250.179 2.743 20 30 CFEDMM N#Cc1ccc(-c2c(F)ccc([O-])c2F)nc1F ZINC001241289316 780759981 /nfs/dbraw/zinc/75/99/81/780759981.db2.gz PEYLRZSIHDDZMZ-UHFFFAOYSA-N -1 1 250.179 2.743 20 30 CFEDMM N#Cc1ncc(F)cc1-c1c(F)ccc([O-])c1F ZINC001241292902 780762675 /nfs/dbraw/zinc/76/26/75/780762675.db2.gz MUCVHFBXANZIJN-UHFFFAOYSA-N -1 1 250.179 2.743 20 30 CFEDMM N#Cc1cn(-c2cccc([O-])c2F)c2cc(N)ccc12 ZINC001212552124 781049412 /nfs/dbraw/zinc/04/94/12/781049412.db2.gz BGDPHYYWJHUDNA-UHFFFAOYSA-N -1 1 267.263 2.929 20 30 CFEDMM CC(C)(C)NC(=O)c1ccc(-c2ccc([O-])c(C#N)c2)nc1 ZINC001242562843 781601032 /nfs/dbraw/zinc/60/10/32/781601032.db2.gz LKZWHIXPZSQIPC-UHFFFAOYSA-N -1 1 295.342 2.854 20 30 CFEDMM CC(C)(C)NC(=O)c1cccnc1-c1ccc([O-])c(C#N)c1 ZINC001242563103 781601164 /nfs/dbraw/zinc/60/11/64/781601164.db2.gz AXHDKPSBBKQKJP-UHFFFAOYSA-N -1 1 295.342 2.854 20 30 CFEDMM N#Cc1cc(-c2ncnc3c2CCCC3)ccc1[O-] ZINC001242562867 781601221 /nfs/dbraw/zinc/60/12/21/781601221.db2.gz MAJGYJLILDZNKW-UHFFFAOYSA-N -1 1 251.289 2.600 20 30 CFEDMM N#Cc1cc(-c2ccc(Cn3ccnc3)cn2)ccc1[O-] ZINC001242563053 781601273 /nfs/dbraw/zinc/60/12/73/781601273.db2.gz ADXYZKIDCPPXLN-UHFFFAOYSA-N -1 1 276.299 2.571 20 30 CFEDMM CCCCN(C)c1cncc(-c2ccc([O-])c(C#N)c2)n1 ZINC001242562844 781601475 /nfs/dbraw/zinc/60/14/75/781601475.db2.gz JWXXXYGAQSJVEQ-UHFFFAOYSA-N -1 1 282.347 2.957 20 30 CFEDMM N#Cc1cc(-c2cccc(OC(F)F)n2)ccc1[O-] ZINC001242562881 781601570 /nfs/dbraw/zinc/60/15/70/781601570.db2.gz MPCWQNWBJDWQIM-UHFFFAOYSA-N -1 1 262.215 2.927 20 30 CFEDMM N#Cc1cc(-c2ccc(-c3ncccn3)cn2)ccc1[O-] ZINC001242564504 781603285 /nfs/dbraw/zinc/60/32/85/781603285.db2.gz DAERONVZNOJSFK-UHFFFAOYSA-N -1 1 274.283 2.783 20 30 CFEDMM N#Cc1cc(-c2cccc(C3OCCO3)c2)ccc1[O-] ZINC001242564482 781603726 /nfs/dbraw/zinc/60/37/26/781603726.db2.gz CGAFVKMLVLFYNL-UHFFFAOYSA-N -1 1 267.284 2.976 20 30 CFEDMM CON(C)C(=O)c1cccc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565074 781603768 /nfs/dbraw/zinc/60/37/68/781603768.db2.gz KKINEKSEQJMZLP-UHFFFAOYSA-N -1 1 282.299 2.564 20 30 CFEDMM CON(C)C(=O)c1ccccc1-c1ccc([O-])c(C#N)c1 ZINC001242565835 781604674 /nfs/dbraw/zinc/60/46/74/781604674.db2.gz UKAZMNKAKZZAFE-UHFFFAOYSA-N -1 1 282.299 2.564 20 30 CFEDMM COC(=O)Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1F ZINC001242565572 781604680 /nfs/dbraw/zinc/60/46/80/781604680.db2.gz KSXWUJBMMYUMBS-UHFFFAOYSA-N -1 1 285.274 2.785 20 30 CFEDMM Cn1cc(C(F)(F)F)cc(-c2ccc([O-])c(C#N)c2)c1=O ZINC001242565422 781604954 /nfs/dbraw/zinc/60/49/54/781604954.db2.gz BZFUIIKIUZVAKB-UHFFFAOYSA-N -1 1 294.232 2.648 20 30 CFEDMM CC1(C)NC(=O)Cc2cc(-c3ccc([O-])c(C#N)c3)ccc21 ZINC001242566873 781606653 /nfs/dbraw/zinc/60/66/53/781606653.db2.gz MQAJAAUVPMCWJO-UHFFFAOYSA-N -1 1 292.338 2.838 20 30 CFEDMM CCOC(=O)c1cc(-c2ccc([O-])c(C#N)c2)ccc1C#N ZINC001242566667 781606710 /nfs/dbraw/zinc/60/67/10/781606710.db2.gz KGKIYYWAPGOUCW-UHFFFAOYSA-N -1 1 292.294 2.979 20 30 CFEDMM COC(=O)c1nc2cc(C3=CC(=O)C[C@@H](C)C3)ccc2[n-]1 ZINC001242740550 781733531 /nfs/dbraw/zinc/73/35/31/781733531.db2.gz CVEKSNUJOMVYBJ-VIFPVBQESA-N -1 1 284.315 2.732 20 30 CFEDMM COC(=O)c1nc2ccc(C3=CC(=O)C[C@@H](C)C3)cc2[n-]1 ZINC001242740550 781733533 /nfs/dbraw/zinc/73/35/33/781733533.db2.gz CVEKSNUJOMVYBJ-VIFPVBQESA-N -1 1 284.315 2.732 20 30 CFEDMM COc1nccc(-c2ccccc2C=N[O-])c1OC ZINC001242963519 781882335 /nfs/dbraw/zinc/88/23/35/781882335.db2.gz SCOLLUGSZWRSGS-UHFFFAOYSA-N -1 1 258.277 2.574 20 30 CFEDMM N#CC1(c2ccc(CNCc3cc(C(=O)[O-])co3)cc2)CC1 ZINC000594691616 349474675 /nfs/dbraw/zinc/47/46/75/349474675.db2.gz WHPZAYGITSIIER-UHFFFAOYSA-N -1 1 296.326 2.823 20 30 CFEDMM COC(C)(C)C[C@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596140867 349806456 /nfs/dbraw/zinc/80/64/56/349806456.db2.gz JVHRKLRKUFIWFD-ZETCQYMHSA-N -1 1 273.789 2.706 20 30 CFEDMM CN(CC(C)(C)C#N)C(=O)c1ccc(Cl)cc1[O-] ZINC000336157877 529843090 /nfs/dbraw/zinc/84/30/90/529843090.db2.gz COVAXVGTMWCIDB-UHFFFAOYSA-N -1 1 266.728 2.667 20 30 CFEDMM C=C1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000668303195 539418108 /nfs/dbraw/zinc/41/81/08/539418108.db2.gz AGHAFOFNGPEVQL-UHFFFAOYSA-N -1 1 268.316 2.733 20 30 CFEDMM N#Cc1ccsc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000281508939 348342975 /nfs/dbraw/zinc/34/29/75/348342975.db2.gz SIGZDUGFLZZHJI-UHFFFAOYSA-N -1 1 259.290 2.737 20 30 CFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(C#N)cc1 ZINC000589168056 348815436 /nfs/dbraw/zinc/81/54/36/348815436.db2.gz VMZQLQUQYDUPGW-LLVKDONJSA-N -1 1 291.310 2.627 20 30 CFEDMM Cc1ccc(CN(C(=O)c2cc([O-])cc(C#N)c2)C2CC2)o1 ZINC000589170143 348815534 /nfs/dbraw/zinc/81/55/34/348815534.db2.gz FWPQNTXJJMLSGE-UHFFFAOYSA-N -1 1 296.326 2.970 20 30 CFEDMM CCC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccn1 ZINC000589178897 348816154 /nfs/dbraw/zinc/81/61/54/348816154.db2.gz ANKYNLNMLRUOJV-MRXNPFEDSA-N -1 1 295.342 2.930 20 30 CFEDMM C[C@H]1CC[C@]2(CCN(C(=O)c3cc([O-])cc(C#N)c3)C2)C1 ZINC000589199834 348818681 /nfs/dbraw/zinc/81/86/81/348818681.db2.gz OYWBDAHFSKSJCJ-SJCJKPOMSA-N -1 1 284.359 2.916 20 30 CFEDMM C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1(C)C ZINC000589204916 348820035 /nfs/dbraw/zinc/82/00/35/348820035.db2.gz OHVIJJKBZKILQY-NSHDSACASA-N -1 1 272.348 2.772 20 30 CFEDMM N#Cc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000589463743 348834444 /nfs/dbraw/zinc/83/44/44/348834444.db2.gz ZIURENFQUZWMIE-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM CCN(CC(C)(C)C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589732336 348853860 /nfs/dbraw/zinc/85/38/60/348853860.db2.gz QBLNXGHSXLZTRW-UHFFFAOYSA-N -1 1 260.337 2.772 20 30 CFEDMM CC(C)(C)C(C)(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000590471835 348902420 /nfs/dbraw/zinc/90/24/20/348902420.db2.gz SVLNIIQYPSJELE-UHFFFAOYSA-N -1 1 260.337 2.818 20 30 CFEDMM CCC1(CC)CN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000590501889 348906496 /nfs/dbraw/zinc/90/64/96/348906496.db2.gz ZESHZKHENXHRGQ-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC2(C3CCC3)CCC2)c1 ZINC000590920464 348967164 /nfs/dbraw/zinc/96/71/64/348967164.db2.gz TXFIKYQAIJGAJS-UHFFFAOYSA-N -1 1 270.332 2.716 20 30 CFEDMM N#CC1(CNC(=O)c2cc(Cl)ccc2[O-])CCCC1 ZINC000593779442 349325045 /nfs/dbraw/zinc/32/50/45/349325045.db2.gz JORAVZUKICLMSZ-UHFFFAOYSA-N -1 1 278.739 2.859 20 30 CFEDMM N#CC1(CNC(=O)c2ccc(Cl)cc2[O-])CCCC1 ZINC000593780385 349325178 /nfs/dbraw/zinc/32/51/78/349325178.db2.gz YWCGABWLUNRQQI-UHFFFAOYSA-N -1 1 278.739 2.859 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC(C3CCC3)CC2)cc1[O-] ZINC000597989272 350174906 /nfs/dbraw/zinc/17/49/06/350174906.db2.gz AUSSXOFYLJRVEP-UHFFFAOYSA-N -1 1 284.359 2.916 20 30 CFEDMM C[C@@H](C#N)N(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000598136709 350208273 /nfs/dbraw/zinc/20/82/73/350208273.db2.gz IJAUJJVEPMCBSR-QMMMGPOBSA-N -1 1 298.264 2.928 20 30 CFEDMM CCN(C(=O)c1cc2ccccc2cc1[O-])[C@@H](C)C#N ZINC000598349287 350242734 /nfs/dbraw/zinc/24/27/34/350242734.db2.gz FKGHYOVSAJYSAG-NSHDSACASA-N -1 1 268.316 2.920 20 30 CFEDMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H](C)C#N ZINC000598359699 350247926 /nfs/dbraw/zinc/24/79/26/350247926.db2.gz XGMTXKHYIGTLFB-QMMMGPOBSA-N -1 1 286.253 2.785 20 30 CFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCC(F)CC1 ZINC000598367500 350251457 /nfs/dbraw/zinc/25/14/57/350251457.db2.gz ROCFCVPHTNCAKO-CDWSIMAYSA-N -1 1 290.338 2.910 20 30 CFEDMM Cc1nc(S[C@H](C#N)C2CC2)[n-]c(=O)c1C1CC1 ZINC000601088600 350664836 /nfs/dbraw/zinc/66/48/36/350664836.db2.gz VOCQTEBBFVYJJI-SNVBAGLBSA-N -1 1 261.350 2.762 20 30 CFEDMM N#CCC1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000601421045 350731784 /nfs/dbraw/zinc/73/17/84/350731784.db2.gz AXZUPKNZBJKFHA-UHFFFAOYSA-N -1 1 292.766 2.740 20 30 CFEDMM C=C(C)C[C@H](NCc1cccc([O-])c1Cl)C(=O)OC ZINC000602734593 351006328 /nfs/dbraw/zinc/00/63/28/351006328.db2.gz PQAGKRKXPCQSGA-NSHDSACASA-N -1 1 283.755 2.643 20 30 CFEDMM Cc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccc1F ZINC000614293364 352076361 /nfs/dbraw/zinc/07/63/61/352076361.db2.gz BJSASRXNMFJPJF-UHFFFAOYSA-N -1 1 284.290 2.641 20 30 CFEDMM C[C@H]1CCCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293046 352076519 /nfs/dbraw/zinc/07/65/19/352076519.db2.gz PXRNFUKYMTZPBA-IINYFYTJSA-N -1 1 258.321 2.572 20 30 CFEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)C1CCCC1 ZINC000614300816 352077882 /nfs/dbraw/zinc/07/78/82/352077882.db2.gz VECNVKWAAJMXEB-UHFFFAOYSA-N -1 1 258.321 2.669 20 30 CFEDMM CC1(CNC(=O)c2cc([O-])cc(C#N)c2)CCCC1 ZINC000614367347 352085413 /nfs/dbraw/zinc/08/54/13/352085413.db2.gz HSXVAYQUZRCHJF-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM CCSCC[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614370555 352086527 /nfs/dbraw/zinc/08/65/27/352086527.db2.gz BWQFUWANZWYLHW-JTQLQIEISA-N -1 1 278.377 2.525 20 30 CFEDMM C=CCC1(C(=O)Nc2c(C)[n-][nH]c2=O)CCCCC1 ZINC000615227372 352170855 /nfs/dbraw/zinc/17/08/55/352170855.db2.gz PQDNWRLATPTBOW-UHFFFAOYSA-N -1 1 263.341 2.889 20 30 CFEDMM C[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000615491014 352199208 /nfs/dbraw/zinc/19/92/08/352199208.db2.gz GEJPJJJUDUVWCR-SMDDNHRTSA-N -1 1 272.348 2.962 20 30 CFEDMM Cc1cc(C)c(NC(=O)c2cc([O-])cc(C#N)c2)cc1CO ZINC000615893861 352258105 /nfs/dbraw/zinc/25/81/05/352258105.db2.gz OTUHGIFYOYKBPY-UHFFFAOYSA-N -1 1 296.326 2.625 20 30 CFEDMM CCCC1(CNC(=O)c2cc([O-])cc(C#N)c2)CCC1 ZINC000616035172 352276651 /nfs/dbraw/zinc/27/66/51/352276651.db2.gz QLJDYDXMFZPIMD-UHFFFAOYSA-N -1 1 272.348 2.964 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc3cc[nH]c32)c1 ZINC000615821016 352244498 /nfs/dbraw/zinc/24/44/98/352244498.db2.gz QOMSJMJSGVXDFS-UHFFFAOYSA-N -1 1 291.310 2.675 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC2CCC3(CC3)CC2)c1 ZINC000618024701 352699411 /nfs/dbraw/zinc/69/94/11/352699411.db2.gz UAGMDTGBZVCBAH-UHFFFAOYSA-N -1 1 270.332 2.716 20 30 CFEDMM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1c([O-])cccc1F ZINC000618891857 352906422 /nfs/dbraw/zinc/90/64/22/352906422.db2.gz FSBXRIMBKQLNCT-CQSZACIVSA-N -1 1 296.301 2.820 20 30 CFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)C1(C)CCCC1 ZINC000618893371 352906917 /nfs/dbraw/zinc/90/69/17/352906917.db2.gz LPMBTHKMTHFDHC-UHFFFAOYSA-N -1 1 258.321 2.669 20 30 CFEDMM C=CCCCC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632227297 355667674 /nfs/dbraw/zinc/66/76/74/355667674.db2.gz UIOVERDICANCDI-UHFFFAOYSA-N -1 1 279.308 2.852 20 30 CFEDMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(C#N)cc2)o1 ZINC000426782183 239262012 /nfs/dbraw/zinc/26/20/12/239262012.db2.gz DRKWIGFDGCXWHJ-AWEZNQCLSA-N -1 1 284.315 2.765 20 30 CFEDMM C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000442906469 241018367 /nfs/dbraw/zinc/01/83/67/241018367.db2.gz XPXKLKUDFFIPHT-GFCCVEGCSA-N -1 1 280.327 2.797 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)cc1[O-] ZINC000442900782 241019399 /nfs/dbraw/zinc/01/93/99/241019399.db2.gz SCYPZOVVDIDIAA-MRXNPFEDSA-N -1 1 292.338 2.551 20 30 CFEDMM C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C[C@@H]1C ZINC000443109178 241041446 /nfs/dbraw/zinc/04/14/46/241041446.db2.gz OVVRDCSHDSEEIU-SUNKGSAMSA-N -1 1 272.348 2.818 20 30 CFEDMM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443274630 241049965 /nfs/dbraw/zinc/04/99/65/241049965.db2.gz OBYXBTZVGWOXSZ-QWRGUYRKSA-N -1 1 260.337 2.818 20 30 CFEDMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000016099565 372099924 /nfs/dbraw/zinc/09/99/24/372099924.db2.gz XCCQOSMPIVZJNL-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM N#CCc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000029966967 372389343 /nfs/dbraw/zinc/38/93/43/372389343.db2.gz XMLUTRXJWOCMLR-UHFFFAOYSA-N -1 1 290.319 2.693 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2CCC(=O)NC23CCC3)cc1[O-] ZINC000328704199 378415895 /nfs/dbraw/zinc/41/58/95/378415895.db2.gz ORQITHLFXGRMAS-ZDUSSCGKSA-N -1 1 299.330 2.610 20 30 CFEDMM CCC1([N-]S(=O)(=O)c2ccc(C#N)o2)CCCCC1 ZINC000451887083 383731882 /nfs/dbraw/zinc/73/18/82/383731882.db2.gz FLAUORNAZLWHBN-UHFFFAOYSA-N -1 1 282.365 2.542 20 30 CFEDMM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1sccc1Cl ZINC000336273606 380304262 /nfs/dbraw/zinc/30/42/62/380304262.db2.gz PMINVPOWKKZYEH-QMMMGPOBSA-N -1 1 292.813 2.618 20 30 CFEDMM Cc1ccc(-c2n[nH]c(NC(=O)C3(C#N)CCCCC3)n2)o1 ZINC000181873903 380924745 /nfs/dbraw/zinc/92/47/45/380924745.db2.gz OUFZLENGJWZEFX-UHFFFAOYSA-N -1 1 299.334 2.786 20 30 CFEDMM C=CCC[C@@H](C(=O)[N-]OCCCOC)c1ccccc1 ZINC000287820221 380948696 /nfs/dbraw/zinc/94/86/96/380948696.db2.gz MYFZMCIIWRTIBH-OAHLLOKOSA-N -1 1 277.364 2.821 20 30 CFEDMM N#CCN(Cc1cc(=O)oc2cc([O-])ccc12)C1CCCC1 ZINC000182329546 381066137 /nfs/dbraw/zinc/06/61/37/381066137.db2.gz VVKVBAQMSDPQST-UHFFFAOYSA-N -1 1 298.342 2.767 20 30 CFEDMM CCOc1cc(C(=O)N[C@H](CC)CC#N)cc(Cl)c1[O-] ZINC000183922245 381342002 /nfs/dbraw/zinc/34/20/02/381342002.db2.gz BEUGAUHCTPGFDH-SNVBAGLBSA-N -1 1 296.754 2.866 20 30 CFEDMM Cc1ccc(-c2cc(=NC(=O)CCCC#N)[nH][n-]2)s1 ZINC000360149090 381768286 /nfs/dbraw/zinc/76/82/86/381768286.db2.gz HZGVBMBFJQNRKQ-UHFFFAOYSA-N -1 1 274.349 2.501 20 30 CFEDMM CCCc1cc(=O)[n-]c(SCc2nc(C#N)cs2)n1 ZINC000416878287 381958393 /nfs/dbraw/zinc/95/83/93/381958393.db2.gz BVONWJDWCGRRKH-UHFFFAOYSA-N -1 1 292.389 2.755 20 30 CFEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000187168746 382118079 /nfs/dbraw/zinc/11/80/79/382118079.db2.gz RONCRDDHCQPZMA-UHFFFAOYSA-N -1 1 286.356 2.921 20 30 CFEDMM COC(=O)c1cnc(S[C@H](C#N)C2CCCCC2)[n-]1 ZINC000187590728 382217813 /nfs/dbraw/zinc/21/78/13/382217813.db2.gz JZRKWOBZKXMJMR-LLVKDONJSA-N -1 1 279.365 2.761 20 30 CFEDMM COC(=O)c1c[n-]c(S[C@H](C#N)C2CCCCC2)n1 ZINC000187590728 382217818 /nfs/dbraw/zinc/21/78/18/382217818.db2.gz JZRKWOBZKXMJMR-LLVKDONJSA-N -1 1 279.365 2.761 20 30 CFEDMM C[C@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344191263 382188809 /nfs/dbraw/zinc/18/88/09/382188809.db2.gz UKDQDSZOTALTMS-CMPLNLGQSA-N -1 1 296.392 2.644 20 30 CFEDMM C=CCCCNC(=O)c1cc(Br)ccc1[O-] ZINC000303989683 382368314 /nfs/dbraw/zinc/36/83/14/382368314.db2.gz RNGGIRKGPCNYFD-UHFFFAOYSA-N -1 1 284.153 2.851 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1[O-] ZINC000188478545 382422064 /nfs/dbraw/zinc/42/20/64/382422064.db2.gz VWQPCCSFUMMBEN-HOTGVXAUSA-N -1 1 292.338 2.797 20 30 CFEDMM CC(C)[C@H](C)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000188378253 382402030 /nfs/dbraw/zinc/40/20/30/382402030.db2.gz RWDFTDOJIQKCSN-NSHDSACASA-N -1 1 272.348 2.913 20 30 CFEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000308011382 382472668 /nfs/dbraw/zinc/47/26/68/382472668.db2.gz PKYBNHLIEPAMAI-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM C[C@H]1CCCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188827833 382485462 /nfs/dbraw/zinc/48/54/62/382485462.db2.gz IVPJLAUDYAZGNI-NSHDSACASA-N -1 1 258.321 2.526 20 30 CFEDMM C[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000190141601 382654728 /nfs/dbraw/zinc/65/47/28/382654728.db2.gz KPBQXOALVNCZAG-GWCFXTLKSA-N -1 1 258.321 2.572 20 30 CFEDMM COc1ccc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442626619 382938860 /nfs/dbraw/zinc/93/88/60/382938860.db2.gz URUYILXEKDROFX-NSHDSACASA-N -1 1 296.326 2.763 20 30 CFEDMM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000457284018 383011680 /nfs/dbraw/zinc/01/16/80/383011680.db2.gz NTEYXXXSAPAPNP-GOEBONIOSA-N -1 1 272.348 2.818 20 30 CFEDMM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553429732 383108913 /nfs/dbraw/zinc/10/89/13/383108913.db2.gz PLEVVTVXHIPVSM-LLVKDONJSA-N -1 1 284.381 2.788 20 30 CFEDMM C=CCN(Cc1cc(C(=O)[O-])nn1C)CC1CCCCC1 ZINC000635303265 383528253 /nfs/dbraw/zinc/52/82/53/383528253.db2.gz SGPJNIGCOUFWCG-UHFFFAOYSA-N -1 1 291.395 2.687 20 30 CFEDMM Cn1cncc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000436695423 383874478 /nfs/dbraw/zinc/87/44/78/383874478.db2.gz FDUXLQYLONOTRN-VIFPVBQESA-N -1 1 282.328 2.520 20 30 CFEDMM C=C1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000266966148 384271642 /nfs/dbraw/zinc/27/16/42/384271642.db2.gz AFPHGKQBHMNUGX-UHFFFAOYSA-N -1 1 289.379 2.580 20 30 CFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272251917 385487920 /nfs/dbraw/zinc/48/79/20/385487920.db2.gz STFMTRIJFVBWAP-ZETCQYMHSA-N -1 1 295.191 2.631 20 30 CFEDMM N#Cc1cccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1 ZINC000014180198 393479953 /nfs/dbraw/zinc/47/99/53/393479953.db2.gz FGIYYSNDDXEBJH-VIZOYTHASA-N -1 1 263.252 2.880 20 30 CFEDMM C[C@H](CC#N)NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338383208 393785527 /nfs/dbraw/zinc/78/55/27/393785527.db2.gz KVPMUHIOQORDPV-MRVPVSSYSA-N -1 1 289.722 2.626 20 30 CFEDMM N#CC1(CNC(=O)c2ccc3ccccc3c2[O-])CCC1 ZINC000416352572 393909193 /nfs/dbraw/zinc/90/91/93/393909193.db2.gz DCIFPJXMKLREQB-UHFFFAOYSA-N -1 1 280.327 2.969 20 30 CFEDMM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000121675320 393958656 /nfs/dbraw/zinc/95/86/56/393958656.db2.gz XKSMTESPAZGLNK-GFCCVEGCSA-N -1 1 292.360 2.649 20 30 CFEDMM C=CC[C@@H]1CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000656759668 413191828 /nfs/dbraw/zinc/19/18/28/413191828.db2.gz JDLVNOOTENKOFG-SNVBAGLBSA-N -1 1 266.366 2.629 20 30 CFEDMM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000408114674 157380404 /nfs/dbraw/zinc/38/04/04/157380404.db2.gz YXICHKZMASQSFG-RYUDHWBXSA-N -1 1 296.392 2.644 20 30 CFEDMM C=C(C)CNC(=O)c1cc2cc(OC)ccc2cc1[O-] ZINC001154754015 782017214 /nfs/dbraw/zinc/01/72/14/782017214.db2.gz ACBKPCFWQCRJID-UHFFFAOYSA-N -1 1 271.316 2.860 20 30 CFEDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1 ZINC000005262306 170080904 /nfs/dbraw/zinc/08/09/04/170080904.db2.gz XDCBEXSAHANMPJ-UHFFFAOYSA-N -1 1 286.356 2.921 20 30 CFEDMM N#Cc1cccc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000045213819 175329211 /nfs/dbraw/zinc/32/92/11/175329211.db2.gz KOLJFDVPNLTZJI-UHFFFAOYSA-N -1 1 286.718 2.847 20 30 CFEDMM CC(C)[C@@H](C#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000079843638 260177369 /nfs/dbraw/zinc/17/73/69/260177369.db2.gz HKFWJOFQXAIPCK-CQSZACIVSA-N -1 1 268.316 2.823 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000088474821 260232542 /nfs/dbraw/zinc/23/25/42/260232542.db2.gz SMIOINYGCBPHBD-JTQLQIEISA-N -1 1 292.282 2.749 20 30 CFEDMM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(Cl)cc1[O-] ZINC000155108245 261098334 /nfs/dbraw/zinc/09/83/34/261098334.db2.gz LAHWIVDZMFUKNT-NSHDSACASA-N -1 1 266.728 2.714 20 30 CFEDMM N#CCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000109713956 262254945 /nfs/dbraw/zinc/25/49/45/262254945.db2.gz KTMBXVLNMJDDEP-UHFFFAOYSA-N -1 1 263.244 2.597 20 30 CFEDMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188276348 262288421 /nfs/dbraw/zinc/28/84/21/262288421.db2.gz HLOSERXQWUMODJ-SMDDNHRTSA-N -1 1 272.348 2.915 20 30 CFEDMM C[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188391563 262293997 /nfs/dbraw/zinc/29/39/97/262293997.db2.gz QMLJLQHPHLCVII-NSHDSACASA-N -1 1 258.321 2.526 20 30 CFEDMM N#Cc1c(F)cccc1C(=O)Nc1ccccc1[O-] ZINC000188523761 262308100 /nfs/dbraw/zinc/30/81/00/262308100.db2.gz ALBYDLQHLOFSSM-UHFFFAOYSA-N -1 1 256.236 2.655 20 30 CFEDMM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188552212 262314988 /nfs/dbraw/zinc/31/49/88/262314988.db2.gz KRUFWAKYSJFFIE-WDEREUQCSA-N -1 1 258.321 2.524 20 30 CFEDMM N#CCCN(Cc1cccnc1)Cc1cccc(F)c1[O-] ZINC000272308919 263003194 /nfs/dbraw/zinc/00/31/94/263003194.db2.gz RFMKLMWWDZYTOO-UHFFFAOYSA-N -1 1 285.322 2.842 20 30 CFEDMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278759488 263050574 /nfs/dbraw/zinc/05/05/74/263050574.db2.gz XTDDAXYBMSUVTB-NXEZZACHSA-N -1 1 288.376 2.521 20 30 CFEDMM CC[C@@](C)(C#N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289094861 263107543 /nfs/dbraw/zinc/10/75/43/263107543.db2.gz OCMJIMSMYMYQCG-ZDUSSCGKSA-N -1 1 261.256 2.773 20 30 CFEDMM CC(C)(C#N)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340676956 263285681 /nfs/dbraw/zinc/28/56/81/263285681.db2.gz IFNWXTDZOXBOOY-UHFFFAOYSA-N -1 1 298.302 2.976 20 30 CFEDMM CS[C@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC000330802293 264042124 /nfs/dbraw/zinc/04/21/24/264042124.db2.gz HGWODSMEULADHL-SNVBAGLBSA-N -1 1 268.382 2.870 20 30 CFEDMM O=C(NCC1(CO)CCCC1)c1c(F)ccc([O-])c1F ZINC000330899903 264078801 /nfs/dbraw/zinc/07/88/01/264078801.db2.gz WATAIGSGULODID-UHFFFAOYSA-N -1 1 285.290 2.528 20 30 CFEDMM COc1cc(C(=O)NC[C@@H]2CC[C@H](O)C2)cc(Cl)c1[O-] ZINC000331064656 264111666 /nfs/dbraw/zinc/11/16/66/264111666.db2.gz PBKOFHCJAAQVEY-SCZZXKLOSA-N -1 1 299.754 2.520 20 30 CFEDMM CC[C@@H](NC(=O)c1ncc(C)cc1[O-])C1CCOCC1 ZINC000331190126 264157316 /nfs/dbraw/zinc/15/73/16/264157316.db2.gz JZCRDKZWVBKJHM-GFCCVEGCSA-N -1 1 278.352 2.605 20 30 CFEDMM COc1cc(C(=O)N[C@]2(C)CCO[C@H]2C)cc(Cl)c1[O-] ZINC000331266923 264168156 /nfs/dbraw/zinc/16/81/56/264168156.db2.gz IEEDVUWEZDVHGX-RMLUDKJBSA-N -1 1 299.754 2.926 20 30 CFEDMM O=C(N[C@@H]1CCC[C@H]1OC(F)F)c1ccc([O-])cc1F ZINC000331235479 264174541 /nfs/dbraw/zinc/17/45/41/264174541.db2.gz LNRAYURWOAOJOW-GHMZBOCLSA-N -1 1 289.253 2.996 20 30 CFEDMM CC(C)[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CCO1 ZINC000331288808 264196273 /nfs/dbraw/zinc/19/62/73/264196273.db2.gz ZWLSNFLDLRYDQJ-ZFWWWQNUSA-N -1 1 288.347 2.772 20 30 CFEDMM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442978674 280035190 /nfs/dbraw/zinc/03/51/90/280035190.db2.gz YOTVIGLBFQFJDK-GTNSWQLSSA-N -1 1 292.338 2.927 20 30 CFEDMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H](C)C1 ZINC000249047687 281045976 /nfs/dbraw/zinc/04/59/76/281045976.db2.gz FKLGMKRYFKKFQE-UHIISALHSA-N -1 1 272.348 2.818 20 30 CFEDMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000356679652 288491956 /nfs/dbraw/zinc/49/19/56/288491956.db2.gz BBWDLVJWAIWAJC-IJLUTSLNSA-N -1 1 272.348 2.770 20 30 CFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCC(C)(C)C1 ZINC000335280815 288920444 /nfs/dbraw/zinc/92/04/44/288920444.db2.gz OCNAIVZMEUVDTB-CYBMUJFWSA-N -1 1 272.348 2.915 20 30 CFEDMM Cc1cc(C(C#N)=C([O-])c2ccc(C3CC3)cn2)nc(C)n1 ZINC000531782913 328033594 /nfs/dbraw/zinc/03/35/94/328033594.db2.gz JUEBAOLWUKLENQ-CQSZACIVSA-N -1 1 292.342 2.856 20 30 CFEDMM CC[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188295978 324013035 /nfs/dbraw/zinc/01/30/35/324013035.db2.gz YLYKZOOYGHWANG-LLVKDONJSA-N -1 1 258.321 2.526 20 30 CFEDMM CC(C)[C@@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188669072 324019802 /nfs/dbraw/zinc/01/98/02/324019802.db2.gz FKDZZJJODZHGGX-AWEZNQCLSA-N -1 1 272.348 2.915 20 30 CFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000185652917 329328313 /nfs/dbraw/zinc/32/83/13/329328313.db2.gz TXIMWFLDMXNVDU-QMMMGPOBSA-N -1 1 277.748 2.722 20 30 CFEDMM C=CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277602934 330116654 /nfs/dbraw/zinc/11/66/54/330116654.db2.gz UMTZTPFAHYEYHY-UHFFFAOYSA-N -1 1 284.153 2.737 20 30 CFEDMM C=C(CNC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000436736342 330683967 /nfs/dbraw/zinc/68/39/67/330683967.db2.gz OLPGOGSIGCRXRC-UHFFFAOYSA-N -1 1 271.291 2.975 20 30 CFEDMM C=C[C@@](C)(CCOC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456782827 331203514 /nfs/dbraw/zinc/20/35/14/331203514.db2.gz KPFKOQNERGZUKQ-AWEZNQCLSA-N -1 1 285.290 2.838 20 30 CFEDMM CC#CCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000462390453 331321270 /nfs/dbraw/zinc/32/12/70/331321270.db2.gz BDSUCJDJAKJZEU-UHFFFAOYSA-N -1 1 262.256 2.707 20 30 CFEDMM C=CCn1c(Cc2ccccc2F)n[n-]c1=NC(C)(C)C ZINC000463090813 331340124 /nfs/dbraw/zinc/34/01/24/331340124.db2.gz DEXREFHADGSYFZ-UHFFFAOYSA-N -1 1 288.370 2.826 20 30 CFEDMM C#C[C@@H]([N-]C(=O)C(C)(Cl)Cl)c1ccc(F)cc1 ZINC000491696561 332291845 /nfs/dbraw/zinc/29/18/45/332291845.db2.gz YVHMVFDPKZQXFE-SNVBAGLBSA-N -1 1 274.122 2.810 20 30 CFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000491746863 332324321 /nfs/dbraw/zinc/32/43/21/332324321.db2.gz ZBSCXLDLTZVIJR-GFCCVEGCSA-N -1 1 277.345 2.513 20 30 CFEDMM CC1(C#N)CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000227518856 333284377 /nfs/dbraw/zinc/28/43/77/333284377.db2.gz ZUANYYUFDWUJGH-UHFFFAOYSA-N -1 1 278.739 2.811 20 30 CFEDMM [O-]N=Cc1ccccc1-c1cnc(N2CCCC2)nc1 ZINC001243314681 782131357 /nfs/dbraw/zinc/13/13/57/782131357.db2.gz LPDBNJSOOUBXPQ-UHFFFAOYSA-N -1 1 268.320 2.552 20 30 CFEDMM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(C#N)o1 ZINC000334808142 526583048 /nfs/dbraw/zinc/58/30/48/526583048.db2.gz HYSDDXHYFXVEMT-UHFFFAOYSA-N -1 1 257.249 2.577 20 30 CFEDMM COc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)ccc1O ZINC000032271574 560089284 /nfs/dbraw/zinc/08/92/84/560089284.db2.gz HPSPCMSCDNHZJM-VIZOYTHASA-N -1 1 284.267 2.723 20 30 biogenic,in-vitro CFEDMM CC(=NNC(=S)NC(C)(C)C)c1ccc(F)cc1[O-] ZINC000727776715 574064523 /nfs/dbraw/zinc/06/45/23/574064523.db2.gz CMSGAUKCSICIRQ-UHFFFAOYSA-N -1 1 283.372 2.518 20 30 CFEDMM C=CCCC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744919519 574093634 /nfs/dbraw/zinc/09/36/34/574093634.db2.gz CEBQOONFWHUAED-UHFFFAOYSA-N -1 1 262.305 2.647 20 30 CFEDMM Cc1ccc2c(c1)C(=NNc1nc(C)cc(=O)[n-]1)CC2 ZINC000730946071 574104597 /nfs/dbraw/zinc/10/45/97/574104597.db2.gz ZYTQGIAFMWOJJM-UHFFFAOYSA-N -1 1 268.320 2.561 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2coc3ccccc23)n1 ZINC000746558090 574154852 /nfs/dbraw/zinc/15/48/52/574154852.db2.gz POIFTVIBOXRKHY-UHFFFAOYSA-N -1 1 268.276 2.683 20 30 CFEDMM O=[N+]([O-])c1ccc(NN=Cc2cccc(F)c2[O-])cc1 ZINC000755461618 574163492 /nfs/dbraw/zinc/16/34/92/574163492.db2.gz IUBBNWSYJLEWAF-UHFFFAOYSA-N -1 1 275.239 2.886 20 30 CFEDMM Cc1ccnc(N=NCc2ccc(C(=O)[O-])cc2)c1 ZINC000755905617 574195928 /nfs/dbraw/zinc/19/59/28/574195928.db2.gz JGTHPWWLEHBUJE-UHFFFAOYSA-N -1 1 255.277 2.534 20 30 CFEDMM N#CC1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000739067054 574196128 /nfs/dbraw/zinc/19/61/28/574196128.db2.gz VRKGIBJRBIXETH-ZDUSSCGKSA-N -1 1 278.739 2.701 20 30 CFEDMM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)o1 ZINC000739215503 574201007 /nfs/dbraw/zinc/20/10/07/574201007.db2.gz KBTAWLOCRAZUQP-GORDUTHDSA-N -1 1 276.219 2.719 20 30 CFEDMM C#CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000733898374 574260811 /nfs/dbraw/zinc/26/08/11/574260811.db2.gz GHQPYIHCEGVBCI-UHFFFAOYSA-N -1 1 292.187 2.684 20 30 CFEDMM C=CCCCN(C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736102476 574350182 /nfs/dbraw/zinc/35/01/82/574350182.db2.gz JSDRYOITOVMMRX-LBPRGKRZSA-N -1 1 292.379 2.799 20 30 CFEDMM C=CCCCN(C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736102770 574350187 /nfs/dbraw/zinc/35/01/87/574350187.db2.gz XQBZBQGTKYDSFG-UHFFFAOYSA-N -1 1 290.363 2.530 20 30 CFEDMM CO[C@@H](C(=O)N([O-])Cc1cccc2ccccc21)C1CC1 ZINC000900092155 620637169 /nfs/dbraw/zinc/63/71/69/620637169.db2.gz ZSAAGAQCDWCZKN-MRXNPFEDSA-N -1 1 285.343 2.983 20 30 CFEDMM O=C([O-])C[C@H]1CCCN(CC#Cc2ccccc2Cl)C1 ZINC000821516668 597367529 /nfs/dbraw/zinc/36/75/29/597367529.db2.gz UJRWNKZRCWENQP-CYBMUJFWSA-N -1 1 291.778 2.878 20 30 CFEDMM O=C([O-])c1cc(C=NNc2ccc(C(F)(F)F)cn2)c[nH]1 ZINC000814711145 601795490 /nfs/dbraw/zinc/79/54/90/601795490.db2.gz DHUKOTVIEBNFMF-UHFFFAOYSA-N -1 1 298.224 2.573 20 30 CFEDMM COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c(O)c1 ZINC000832157749 601825680 /nfs/dbraw/zinc/82/56/80/601825680.db2.gz UJKIBXARXHJCFF-ZZXKWVIFSA-N -1 1 288.255 2.588 20 30 CFEDMM Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c(O)c1 ZINC000832910745 601825982 /nfs/dbraw/zinc/82/59/82/601825982.db2.gz CXTKSIJGDBGWTO-UTCJRWHESA-N -1 1 272.256 2.888 20 30 CFEDMM Cc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c(O)c1 ZINC000832911105 601826104 /nfs/dbraw/zinc/82/61/04/601826104.db2.gz KWLKWRHQYPHDCF-HWKANZROSA-N -1 1 271.272 2.623 20 30 CFEDMM C=CC[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccncc1 ZINC000823491332 603553713 /nfs/dbraw/zinc/55/37/13/603553713.db2.gz VCOBDKRRQJVVPB-CQSZACIVSA-N -1 1 298.346 2.974 20 30 CFEDMM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(C#N)c1 ZINC000825501986 603559874 /nfs/dbraw/zinc/55/98/74/603559874.db2.gz GKFGFJOEEZZMCW-NSHDSACASA-N -1 1 296.330 2.894 20 30 CFEDMM C=CCN(Cc1ccc(C(=O)[O-])cc1F)C(C)C ZINC000833374242 604752196 /nfs/dbraw/zinc/75/21/96/604752196.db2.gz CZVNIFYVPVDKFI-UHFFFAOYSA-N -1 1 251.301 2.920 20 30 CFEDMM C=C(Br)CN[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000833366659 604947177 /nfs/dbraw/zinc/94/71/77/604947177.db2.gz BFVHJVIPJBJUMC-CYBMUJFWSA-N -1 1 298.180 2.875 20 30 CFEDMM C#CC[C@H](NCc1occc1C(=O)[O-])c1ccccc1 ZINC000833360705 605134374 /nfs/dbraw/zinc/13/43/74/605134374.db2.gz OGJNOPDFXGSUIE-AWEZNQCLSA-N -1 1 269.300 2.832 20 30 CFEDMM Cc1cc(C(=O)[C@H](C#N)c2ccccn2)ccc1NC(=O)[O-] ZINC000829904495 605347354 /nfs/dbraw/zinc/34/73/54/605347354.db2.gz NPHHOLSBUAOGJL-GFCCVEGCSA-N -1 1 295.298 2.970 20 30 CFEDMM O=C([O-])Nc1ccc(CN=Nc2cc(Cl)ccn2)cn1 ZINC000834256289 605391703 /nfs/dbraw/zinc/39/17/03/605391703.db2.gz PKPABRVVUSUNML-UHFFFAOYSA-N -1 1 291.698 2.666 20 30 CFEDMM C[C@H](NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820437956 606370406 /nfs/dbraw/zinc/37/04/06/606370406.db2.gz FBIPTYBZQLPGTE-JTQLQIEISA-N -1 1 298.375 2.613 20 30 CFEDMM CCCCCCN([O-])C(=O)C(=O)c1cccc(C)c1 ZINC000900680084 620701785 /nfs/dbraw/zinc/70/17/85/620701785.db2.gz XLOCRGXQPLMWHE-UHFFFAOYSA-N -1 1 263.337 2.976 20 30 CFEDMM CC#CCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759352 617837427 /nfs/dbraw/zinc/83/74/27/617837427.db2.gz KBTWVKFCDFGOTN-UHFFFAOYSA-N -1 1 265.740 2.855 20 30 CFEDMM C=CC[C@H]1CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000890561745 617654102 /nfs/dbraw/zinc/65/41/02/617654102.db2.gz JNGSWDLRPAUPQZ-JTQLQIEISA-N -1 1 296.164 2.945 20 30 CFEDMM Cc1cc(C(F)(F)C(=O)[N-][C@@H](C#N)C2CC2)cnc1Cl ZINC000932383516 617706635 /nfs/dbraw/zinc/70/66/35/617706635.db2.gz XKICSKUZRYDGOD-JTQLQIEISA-N -1 1 299.708 2.554 20 30 CFEDMM CNC(=O)c1ccc(/C=C\C(=O)c2cc(C)ccc2[O-])cc1 ZINC000255048806 617806756 /nfs/dbraw/zinc/80/67/56/617806756.db2.gz VFFWLTHRHGTHEH-POHAHGRESA-N -1 1 295.338 2.956 20 30 CFEDMM C=CCCO[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758099 617835895 /nfs/dbraw/zinc/83/58/95/617835895.db2.gz RJAQUTQTQNLJBW-JTQLQIEISA-N -1 1 283.755 2.643 20 30 CFEDMM N#CC1(C(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC000890757898 617836180 /nfs/dbraw/zinc/83/61/80/617836180.db2.gz MHIAXFDKCBIYFC-UHFFFAOYSA-N -1 1 278.739 2.746 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NO[C@@H]1CCCCO1 ZINC000901206892 620764843 /nfs/dbraw/zinc/76/48/43/620764843.db2.gz ZSSNBFKDIIGBLR-GFCCVEGCSA-N -1 1 253.273 2.717 20 30 CFEDMM CCOC(=O)C(C)(C)ON=Cc1c(C)ccc(F)c1[O-] ZINC000901249825 620771884 /nfs/dbraw/zinc/77/18/84/620771884.db2.gz IXZYNGMXZWGYMV-UHFFFAOYSA-N -1 1 283.299 2.532 20 30 CFEDMM CC(C)n1cc(/C=C/C(=O)c2cc(O)ccc2[O-])cn1 ZINC000176954901 618246748 /nfs/dbraw/zinc/24/67/48/618246748.db2.gz JUJOWFADIQGLRE-HWKANZROSA-N -1 1 272.304 2.771 20 30 CFEDMM O=C(/C=C\c1cccc2nccn21)c1ccc([O-])cc1 ZINC000255777404 618299549 /nfs/dbraw/zinc/29/95/49/618299549.db2.gz VDLURMMLGUFDMP-TWGQIWQCSA-N -1 1 264.284 2.936 20 30 CFEDMM COC1(C(=O)N([O-])Cc2ccc(F)cc2)CCCC1 ZINC000901371822 620796834 /nfs/dbraw/zinc/79/68/34/620796834.db2.gz IUPABWDKFNYLDZ-UHFFFAOYSA-N -1 1 267.300 2.503 20 30 CFEDMM C=CCN(C(=O)NCCc1c(F)cc([O-])cc1F)C(C)C ZINC000927780590 618465930 /nfs/dbraw/zinc/46/59/30/618465930.db2.gz KKBRTEWASXOBOR-UHFFFAOYSA-N -1 1 298.333 2.819 20 30 CFEDMM C#CC[N@H+](Cc1cccc(Cl)c1[O-])C1CSC1 ZINC000895813536 619613398 /nfs/dbraw/zinc/61/33/98/619613398.db2.gz CHTLLPIGDHSAIE-UHFFFAOYSA-N -1 1 267.781 2.596 20 30 CFEDMM N#CC[C@@H](NCc1c([O-])cccc1Cl)C(F)(F)F ZINC000896710030 619795771 /nfs/dbraw/zinc/79/57/71/619795771.db2.gz BUHDVRJAJVMRFL-SNVBAGLBSA-N -1 1 278.661 2.980 20 30 CFEDMM C#CCN(C(=O)NCc1ccc([O-])c(Cl)c1)C(C)C ZINC000923981658 619980550 /nfs/dbraw/zinc/98/05/50/619980550.db2.gz AFQWCGXLNQVZNN-UHFFFAOYSA-N -1 1 280.755 2.599 20 30 CFEDMM CCc1nn(C)cc1/C=C/C(=O)c1ccc([O-])cc1 ZINC000092198044 620161371 /nfs/dbraw/zinc/16/13/71/620161371.db2.gz JEOUPUUUKZLBET-RMKNXTFCSA-N -1 1 256.305 2.584 20 30 CFEDMM O=C(/C=C/c1cnn(CC2CCC2)c1)c1cc(O)ccc1[O-] ZINC000899362124 620553192 /nfs/dbraw/zinc/55/31/92/620553192.db2.gz KUOJORLAAPDGJD-GQCTYLIASA-N -1 1 298.342 2.991 20 30 CFEDMM Cn1nc2c(c1/C=C/C(=O)c1cc([O-])cc(F)c1)CCC2 ZINC000899414456 620565866 /nfs/dbraw/zinc/56/58/66/620565866.db2.gz VVYVPHPUYLKRSG-AATRIKPKSA-N -1 1 286.306 2.650 20 30 CFEDMM C=C[C@H]1CCCCN1Cc1csc(C(=O)[O-])c1 ZINC000902544220 621116737 /nfs/dbraw/zinc/11/67/37/621116737.db2.gz DBHPBCOHXNFDAT-NSHDSACASA-N -1 1 251.351 2.987 20 30 CFEDMM N#Cc1cc(Cl)cc(CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000903401775 621368343 /nfs/dbraw/zinc/36/83/43/621368343.db2.gz AWZPNPIWHJMUKF-LBPRGKRZSA-N -1 1 278.739 2.508 20 30 CFEDMM C=CCCOCC(=O)N([O-])Cc1ccccc1Cl ZINC000904188695 621545441 /nfs/dbraw/zinc/54/54/41/621545441.db2.gz JVIGCUKYDCLIKE-UHFFFAOYSA-N -1 1 269.728 2.651 20 30 CFEDMM C=C(Br)CN[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000905392138 621766138 /nfs/dbraw/zinc/76/61/38/621766138.db2.gz RWEFXAHPMDWKEO-GFCCVEGCSA-N -1 1 298.180 2.927 20 30 CFEDMM CCOc1nc(C(=O)[N-]c2scc(C)c2C#N)co1 ZINC000905519442 621788441 /nfs/dbraw/zinc/78/84/41/621788441.db2.gz CNYJAZSRSWJNEV-UHFFFAOYSA-N -1 1 277.305 2.567 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC=CC23CCCCC3)c1 ZINC000912473898 622723829 /nfs/dbraw/zinc/72/38/29/622723829.db2.gz LMWMFCWCDPAXQO-UHFFFAOYSA-N -1 1 282.343 2.979 20 30 CFEDMM CNC(=O)c1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1 ZINC000912773501 622774841 /nfs/dbraw/zinc/77/48/41/622774841.db2.gz VZJZFNXEJVVLKP-NYYWCZLTSA-N -1 1 281.311 2.648 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc2c(c1)CCO2 ZINC000054802832 622921685 /nfs/dbraw/zinc/92/16/85/622921685.db2.gz GHKAAPLMOICNCD-LZYBPNLTSA-N -1 1 280.279 2.943 20 30 CFEDMM COC(=O)c1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)o1 ZINC000171408573 623221981 /nfs/dbraw/zinc/22/19/81/623221981.db2.gz NZFQPVFHGKYYCQ-PKNBQFBNSA-N -1 1 298.294 2.984 20 30 CFEDMM N#Cc1ccc(C(=O)NCCCCC2CC2)cc1[O-] ZINC000825670645 623735871 /nfs/dbraw/zinc/73/58/71/623735871.db2.gz XLNDNQFHXAWWSA-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM Cc1cc(Br)c([O-])c(CN2CC(CC#N)C2)c1 ZINC000826991254 623920444 /nfs/dbraw/zinc/92/04/44/623920444.db2.gz XNLXKILZNWLILO-UHFFFAOYSA-N -1 1 295.180 2.809 20 30 CFEDMM C[C@@H](C#N)CN(C[C@H](C)C(=O)c1ccc([O-])cc1)C1CC1 ZINC000930086200 624586559 /nfs/dbraw/zinc/58/65/59/624586559.db2.gz KZPQRUYIPDBTKH-STQMWFEESA-N -1 1 286.375 2.835 20 30 CFEDMM C#CCCCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000830856762 624903735 /nfs/dbraw/zinc/90/37/35/624903735.db2.gz ZIQJWCOHZOCHEN-UHFFFAOYSA-N -1 1 295.335 2.654 20 30 CFEDMM Cc1cccc2ncc(/C=C\C(=O)c3cc(O)ccc3[O-])n21 ZINC000757468388 626552978 /nfs/dbraw/zinc/55/29/78/626552978.db2.gz UEHFHFWEVKWVPY-ALCCZGGFSA-N -1 1 294.310 2.950 20 30 CFEDMM Cc1ncsc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757472439 626553043 /nfs/dbraw/zinc/55/30/43/626553043.db2.gz HNDDXYITQZEVFG-PLNGDYQASA-N -1 1 289.312 2.751 20 30 CFEDMM N#CC(=C([O-])C=CSCc1ccco1)c1ccncn1 ZINC000760340890 626737105 /nfs/dbraw/zinc/73/71/05/626737105.db2.gz OXMXYUJYTBMMPH-RPTYSRGTSA-N -1 1 285.328 2.693 20 30 CFEDMM N#CC(=C([O-])C=Cc1ccccc1F)c1ccncn1 ZINC000760356531 626739166 /nfs/dbraw/zinc/73/91/66/626739166.db2.gz HZVSUHCYZHKHRY-FOQNGQEVSA-N -1 1 267.263 2.505 20 30 CFEDMM COC(=O)c1coc(/C=C2\CCc3cc([O-])ccc3C2=O)c1 ZINC000763174218 626968897 /nfs/dbraw/zinc/96/88/97/626968897.db2.gz HQWNLEDOEADFQF-YRNVUSSQSA-N -1 1 298.294 2.984 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2cnc(C3CC3)s2)nc1 ZINC000763369698 626983425 /nfs/dbraw/zinc/98/34/25/626983425.db2.gz WGVVYPQCIYVXHA-UHFFFAOYSA-N -1 1 288.332 2.560 20 30 CFEDMM C#CCOc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000768033096 627305178 /nfs/dbraw/zinc/30/51/78/627305178.db2.gz IAYNLMIRGPIIPL-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM CC(=NNC[C@H](C)C#N)c1ccc([O-])c(Cl)c1 ZINC000768784038 627373356 /nfs/dbraw/zinc/37/33/56/627373356.db2.gz LALSGGDEACQKID-MRVPVSSYSA-N -1 1 251.717 2.519 20 30 CFEDMM N#Cc1ccccc1COC(=O)c1ccc([O-])cc1F ZINC000773567451 627838248 /nfs/dbraw/zinc/83/82/48/627838248.db2.gz UQVAKUCIPYNLTI-UHFFFAOYSA-N -1 1 271.247 2.760 20 30 CFEDMM N#Cc1cc(COC(=O)c2ccc([O-])cc2F)ccc1F ZINC000773582145 627838968 /nfs/dbraw/zinc/83/89/68/627838968.db2.gz LQUXRDAKNDTPRA-UHFFFAOYSA-N -1 1 289.237 2.899 20 30 CFEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)ns1 ZINC000774042305 627881435 /nfs/dbraw/zinc/88/14/35/627881435.db2.gz GLWLGCJTPOVIRB-GFCCVEGCSA-N -1 1 299.355 2.721 20 30 CFEDMM CC(=NOC1CCOCC1)c1ccc([O-])c(Cl)c1 ZINC000774451711 627928203 /nfs/dbraw/zinc/92/82/03/627928203.db2.gz CHLNIJAHHOXKFK-UHFFFAOYSA-N -1 1 269.728 2.965 20 30 CFEDMM C#CCOc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776649837 628166505 /nfs/dbraw/zinc/16/65/05/628166505.db2.gz NRYYIBYXSIREAC-UHFFFAOYSA-N -1 1 292.294 2.528 20 30 CFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccc(F)nc2)c1 ZINC000777467282 628228857 /nfs/dbraw/zinc/22/88/57/628228857.db2.gz KIEZHPXVLDYABM-DAFODLJHSA-N -1 1 287.246 2.521 20 30 CFEDMM O=C([O-])c1ccccc1CN=Nc1cc(Cl)ccn1 ZINC000777905231 628263944 /nfs/dbraw/zinc/26/39/44/628263944.db2.gz BYNSHAIFECKXNN-UHFFFAOYSA-N -1 1 275.695 2.879 20 30 CFEDMM Cc1nn(C)c(Cl)c1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000780186859 628438080 /nfs/dbraw/zinc/43/80/80/628438080.db2.gz PFMPEWNSPZXVKF-YFHOEESVSA-N -1 1 288.734 2.910 20 30 CFEDMM Cc1nn(C)c(Cl)c1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000780186858 628438159 /nfs/dbraw/zinc/43/81/59/628438159.db2.gz PFMPEWNSPZXVKF-JXMROGBWSA-N -1 1 288.734 2.910 20 30 CFEDMM COc1c(O)cccc1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000780188302 628438177 /nfs/dbraw/zinc/43/81/77/628438177.db2.gz NFZOCFBJSFHGAP-KPKJPENVSA-N -1 1 282.295 2.929 20 30 CFEDMM N#CCC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000782053148 628600224 /nfs/dbraw/zinc/60/02/24/628600224.db2.gz KAERSYGXGYTYAP-UHFFFAOYSA-N -1 1 278.739 2.811 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1C=NOC[C@H]1CCOC1 ZINC000790173935 629215758 /nfs/dbraw/zinc/21/57/58/629215758.db2.gz KKXRHODNCYGPIR-QMMMGPOBSA-N -1 1 273.691 2.572 20 30 CFEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1cn2cccnc2n1 ZINC000791429186 629313466 /nfs/dbraw/zinc/31/34/66/629313466.db2.gz YWJIGWDMXNOMOM-HYXAFXHYSA-N -1 1 299.717 2.984 20 30 CFEDMM O=C(OCC#Cc1ccccc1)c1ccc([O-])cc1F ZINC000791439183 629315740 /nfs/dbraw/zinc/31/57/40/629315740.db2.gz IRSFDNLBTBSUEA-UHFFFAOYSA-N -1 1 270.259 2.740 20 30 CFEDMM C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC000804455730 630683779 /nfs/dbraw/zinc/68/37/79/630683779.db2.gz KYYCBJGTGFUOLI-OAHLLOKOSA-N -1 1 297.329 2.896 20 30 CFEDMM COc1ccccc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1O ZINC000806558881 630812453 /nfs/dbraw/zinc/81/24/53/630812453.db2.gz OIXBXLMNCWDEIZ-CLFYSBASSA-N -1 1 298.294 2.995 20 30 CFEDMM C#CCCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000837085502 630951836 /nfs/dbraw/zinc/95/18/36/630951836.db2.gz CDIKTDMTXJNPAS-UHFFFAOYSA-N -1 1 253.248 2.803 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C3CC3)cc2)c(=O)o1 ZINC000840715628 631176073 /nfs/dbraw/zinc/17/60/73/631176073.db2.gz QNIXVSRPTJMURP-ASRSSLEJSA-N -1 1 296.322 2.792 20 30 CFEDMM Cc1cc(O)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809688869 631264175 /nfs/dbraw/zinc/26/41/75/631264175.db2.gz GKIMWTLYBGGGPA-UHFFFAOYSA-N -1 1 268.272 2.530 20 30 CFEDMM Cc1cccc(F)c1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000809697556 631267164 /nfs/dbraw/zinc/26/71/64/631267164.db2.gz JDTHYGGCKZSUBV-UHFFFAOYSA-N -1 1 284.290 2.641 20 30 CFEDMM C[C@H](CO)N(C)N=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000842543223 631659330 /nfs/dbraw/zinc/65/93/30/631659330.db2.gz YVNRRFRTQRVOEO-SNVBAGLBSA-N -1 1 292.766 2.845 20 30 CFEDMM C#CCO[N-]C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000812786921 631775331 /nfs/dbraw/zinc/77/53/31/631775331.db2.gz UKGCHDJFPTYCLC-UHFFFAOYSA-N -1 1 269.300 2.560 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cnn(CC(F)F)c1 ZINC000814190358 632028600 /nfs/dbraw/zinc/02/86/00/632028600.db2.gz RKSBLPQPECDIMF-JYOAFUTRSA-N -1 1 290.269 2.676 20 30 CFEDMM C=CCCO[N-]C(=O)[C@H](CC)c1ccc(OC)cc1 ZINC000856034783 635710634 /nfs/dbraw/zinc/71/06/34/635710634.db2.gz UTIAAKYTYDYIMA-CQSZACIVSA-N -1 1 263.337 2.813 20 30 CFEDMM Cc1nc(Cl)cc(NN=Cc2cccc(C(=O)[O-])c2)n1 ZINC000814856057 632139474 /nfs/dbraw/zinc/13/94/74/632139474.db2.gz ZLLWHQCIUKCYOX-UHFFFAOYSA-N -1 1 290.710 2.583 20 30 CFEDMM [O-]c1cccc(C=NNCCC(F)(F)F)c1Cl ZINC000814920404 632164167 /nfs/dbraw/zinc/16/41/67/632164167.db2.gz NJADHIGLPMXESU-UHFFFAOYSA-N -1 1 266.650 2.922 20 30 CFEDMM [O-]c1cc(F)c(Cl)cc1C=NN[C@@H]1CCSC1 ZINC000814933635 632171790 /nfs/dbraw/zinc/17/17/90/632171790.db2.gz VCTFWTMFKINIPE-MRVPVSSYSA-N -1 1 274.748 2.614 20 30 CFEDMM C=C(CC)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867368356 632308271 /nfs/dbraw/zinc/30/82/71/632308271.db2.gz AQQFAAMLVSLTPG-UHFFFAOYSA-N -1 1 295.191 2.633 20 30 CFEDMM C=CCC(F)(F)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000816426960 632454403 /nfs/dbraw/zinc/45/44/03/632454403.db2.gz DCPOKJPEXZQERY-UHFFFAOYSA-N -1 1 262.643 2.591 20 30 CFEDMM Cc1cc(/C=C2/CCc3cc([O-])ccc3C2=O)n(C)n1 ZINC000841485973 632672247 /nfs/dbraw/zinc/67/22/47/632672247.db2.gz RCXJUQZAEKABRH-WQLSENKSSA-N -1 1 268.316 2.647 20 30 CFEDMM Cc1cc(/C=C2\CCc3cc([O-])ccc3C2=O)n(C)n1 ZINC000841485974 632673015 /nfs/dbraw/zinc/67/30/15/632673015.db2.gz RCXJUQZAEKABRH-XYOKQWHBSA-N -1 1 268.316 2.647 20 30 CFEDMM N#CC1(CNC(=O)c2c([O-])cccc2Cl)CCCC1 ZINC000846343510 632692714 /nfs/dbraw/zinc/69/27/14/632692714.db2.gz IOCWVHBTNXKGMF-UHFFFAOYSA-N -1 1 278.739 2.859 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1c(F)cccc1Cl ZINC000846540869 632729614 /nfs/dbraw/zinc/72/96/14/632729614.db2.gz LLYOHGGTGNVPKR-QMMMGPOBSA-N -1 1 257.692 2.644 20 30 CFEDMM C=C(C)CO[N-]C(=O)Cc1c(F)cccc1Cl ZINC000846540711 632729679 /nfs/dbraw/zinc/72/96/79/632729679.db2.gz HNTNSKARXNCVCK-UHFFFAOYSA-N -1 1 257.692 2.646 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1coc2cc(OC)ccc12 ZINC000846541073 632729705 /nfs/dbraw/zinc/72/97/05/632729705.db2.gz CTSPCFDLMNSDRN-JTQLQIEISA-N -1 1 275.304 2.606 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1coc2cc(C)ccc12 ZINC000846542202 632730848 /nfs/dbraw/zinc/73/08/48/632730848.db2.gz WQKDUBQPTUNIKR-NSHDSACASA-N -1 1 259.305 2.906 20 30 CFEDMM CC(=O)c1cc(Cl)cc(CN2CC(C)(C#N)C2)c1[O-] ZINC000846887550 632833830 /nfs/dbraw/zinc/83/38/30/632833830.db2.gz JZZVPQMWSALIPV-UHFFFAOYSA-N -1 1 278.739 2.594 20 30 CFEDMM C=C(C)CO[N-]C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000848244074 633223153 /nfs/dbraw/zinc/22/31/53/633223153.db2.gz AVBQXKQDFRFFRA-ZDUSSCGKSA-N -1 1 281.739 2.925 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1c(C3CC3)cnn1C)O2 ZINC000849243271 633588766 /nfs/dbraw/zinc/58/87/66/633588766.db2.gz HUDDNTWEDZIHBI-CHHVJCJISA-N -1 1 296.326 2.928 20 30 CFEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1cn(C2CCC2)nn1 ZINC000849245536 633588979 /nfs/dbraw/zinc/58/89/79/633588979.db2.gz KBJMIWFGNVLHII-WQLSENKSSA-N -1 1 295.342 2.921 20 30 CFEDMM C[C@H]1CCCCN1N=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000853383828 634989663 /nfs/dbraw/zinc/98/96/63/634989663.db2.gz FTLMSPSYBKUYOF-NSHDSACASA-N -1 1 284.363 2.574 20 30 CFEDMM C=CCCO[N-]C(=O)[C@@H]1CCCc2ccc(OC)cc21 ZINC000856028485 635704405 /nfs/dbraw/zinc/70/44/05/635704405.db2.gz UPIQMNGCQHKLFL-CQSZACIVSA-N -1 1 275.348 2.739 20 30 CFEDMM C=CCCO[N-]C(=O)Cc1ccc(Br)s1 ZINC000856032198 635707844 /nfs/dbraw/zinc/70/78/44/635707844.db2.gz JPOSGPGNLCEPAL-UHFFFAOYSA-N -1 1 290.182 2.677 20 30 CFEDMM N#CC1CCC(CNc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858528704 636283556 /nfs/dbraw/zinc/28/35/56/636283556.db2.gz FAWVBUFMJJZFCO-UHFFFAOYSA-N -1 1 266.732 2.577 20 30 CFEDMM CC(C)(CCC#N)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858546587 636288257 /nfs/dbraw/zinc/28/82/57/636288257.db2.gz CVMRZJZVZKCSFI-UHFFFAOYSA-N -1 1 254.721 2.577 20 30 CFEDMM N#CCOc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000048638668 650273551 /nfs/dbraw/zinc/27/35/51/650273551.db2.gz SLWICWOSVWMCIM-YFHOEESVSA-N -1 1 276.342 2.918 20 30 CFEDMM C#CC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000862571181 637437297 /nfs/dbraw/zinc/43/72/97/637437297.db2.gz PYACQFTXJHMBCV-JTQLQIEISA-N -1 1 297.276 2.896 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cn(C2CC2)cn1 ZINC000865223433 638227990 /nfs/dbraw/zinc/22/79/90/638227990.db2.gz ICCLTDCTCAOYBV-WDZFZDKYSA-N -1 1 266.300 2.746 20 30 CFEDMM C[C@@H](Nc1cnn2c1CCCC2)c1cccc(C#N)c1[O-] ZINC000866461170 638825786 /nfs/dbraw/zinc/82/57/86/638825786.db2.gz QYMUREUVPLWKDW-LLVKDONJSA-N -1 1 282.347 2.970 20 30 CFEDMM N#Cc1ccc2ncc(/C=C/C(=O)c3ccc([O-])cc3)n2c1 ZINC000078007432 650468690 /nfs/dbraw/zinc/46/86/90/650468690.db2.gz LKSHNCXUKQGQJA-QPJJXVBHSA-N -1 1 289.294 2.808 20 30 CFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@@]12C[C@@H]1CCCC2 ZINC000870530528 639705837 /nfs/dbraw/zinc/70/58/37/639705837.db2.gz VLUNDVUKLCCGCL-PZSREKOKSA-N -1 1 284.359 2.962 20 30 CFEDMM CC(C)C[C@@H]1C[C@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870691026 639773420 /nfs/dbraw/zinc/77/34/20/639773420.db2.gz YCFNXAMWQDLMFB-TZMCWYRMSA-N -1 1 258.321 2.650 20 30 CFEDMM CC1(C)CCC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870691934 639774807 /nfs/dbraw/zinc/77/48/07/639774807.db2.gz UMUAYAFSRBXUSP-ZDUSSCGKSA-N -1 1 258.321 2.795 20 30 CFEDMM CC(C)(C)n1cc(/C=C\C(=O)c2cccc([O-])c2F)nn1 ZINC000871672751 641394607 /nfs/dbraw/zinc/39/46/07/641394607.db2.gz XKAVHIZCJAWNBE-FPLPWBNLSA-N -1 1 289.310 2.774 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1cc(OC)ccn1 ZINC000194799949 650729296 /nfs/dbraw/zinc/72/92/96/650729296.db2.gz XECULPCGMQOKMQ-UHFFFAOYSA-N -1 1 286.397 2.802 20 30 CFEDMM CC1(C)C[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)CCS1 ZINC000888801011 644557398 /nfs/dbraw/zinc/55/73/98/644557398.db2.gz UGQWLDGJNRCARB-LBPRGKRZSA-N -1 1 290.388 2.668 20 30 CFEDMM C#CC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCC1 ZINC000882531043 645355646 /nfs/dbraw/zinc/35/56/46/645355646.db2.gz WWNXIALSBDOIAI-UHFFFAOYSA-N -1 1 277.751 2.650 20 30 CFEDMM C=CCC1([N-]S(=O)(=O)c2ccns2)CCCCC1 ZINC000885219931 646639283 /nfs/dbraw/zinc/63/92/83/646639283.db2.gz IZDMOPYYPLOOPN-UHFFFAOYSA-N -1 1 286.422 2.700 20 30 CFEDMM C=CC(C)(C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886268344 646941701 /nfs/dbraw/zinc/94/17/01/646941701.db2.gz MJLJLYHIDDDMCP-UHFFFAOYSA-N -1 1 269.291 2.541 20 30 CFEDMM C#CCC1(NC(=O)c2cc(Cl)c([O-])c(OC)c2)CCC1 ZINC000886788171 647137165 /nfs/dbraw/zinc/13/71/65/647137165.db2.gz UVOJMWJZQJKEFG-UHFFFAOYSA-N -1 1 293.750 2.730 20 30 CFEDMM N#Cc1c2c(cnc1-c1cccc([O-])c1F)CCC2 ZINC001243546541 782269491 /nfs/dbraw/zinc/26/94/91/782269491.db2.gz OZXFWVYMIAPXHR-UHFFFAOYSA-N -1 1 254.264 2.954 20 30 CFEDMM COC(=O)c1ccc(-c2cccc([O-])c2F)c(C#N)c1 ZINC001243545061 782266135 /nfs/dbraw/zinc/26/61/35/782266135.db2.gz PIJMLGPBLZAIEA-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM C#C[C@@H](CCCCC)Oc1[n-]c(=O)ncc1Br ZINC001227133176 777769642 /nfs/dbraw/zinc/76/96/42/777769642.db2.gz GJPLABKEAOAHNC-VIFPVBQESA-N -1 1 299.168 2.906 20 30 CFEDMM COC(=O)c1scc(C#N)c1Nc1ccc(F)c([O-])c1 ZINC001211214519 770452669 /nfs/dbraw/zinc/45/26/69/770452669.db2.gz CIDFYZKBQNASRT-UHFFFAOYSA-N -1 1 292.291 2.995 20 30 CFEDMM CC[C@@H](C#Cc1ccccc1)OCCCC[P@](=O)([O-])O ZINC001225018564 775336723 /nfs/dbraw/zinc/33/67/23/775336723.db2.gz ATJQGHJUKZTQBO-HNNXBMFYSA-N -1 1 296.303 2.791 20 30 CFEDMM C=C[C@H](CCCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664087 775547705 /nfs/dbraw/zinc/54/77/05/775547705.db2.gz JDPGWIRPJFDKIH-SECBINFHSA-N -1 1 252.270 2.819 20 30 CFEDMM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1cccc(/C=N/[O-])c1)C2 ZINC001226110208 775701768 /nfs/dbraw/zinc/70/17/68/775701768.db2.gz ONYSLBAZGKODOW-KFXAOSDLSA-N -1 1 298.298 2.949 20 30 CFEDMM Cc1cn2c(n1)[C@H](Oc1cccc(/C=N/[O-])c1)CCC2 ZINC001226114446 775703234 /nfs/dbraw/zinc/70/32/34/775703234.db2.gz JUOJKQOATDJVLJ-BRYYZUPOSA-N -1 1 271.320 2.914 20 30 CFEDMM [O-]/N=C/c1ccnc(O[C@H](c2ccccc2)C(F)(F)F)n1 ZINC001226253551 775755358 /nfs/dbraw/zinc/75/53/58/775755358.db2.gz KILYSGDMARNFJR-SUDUWZNWSA-N -1 1 297.236 2.967 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCOC[C@@H]1F ZINC001227123515 776108341 /nfs/dbraw/zinc/10/83/41/776108341.db2.gz XVAWPQZNSRHKSO-ZFWWWQNUSA-N -1 1 294.322 2.829 20 30 CFEDMM C=CC[C@H](C=C)Oc1cc([O-])ccc1C(=O)COC ZINC001227172049 776123328 /nfs/dbraw/zinc/12/33/28/776123328.db2.gz JZGBFWFMBUWTAJ-LBPRGKRZSA-N -1 1 262.305 2.731 20 30 CFEDMM C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=S)ncc1F ZINC001227385883 776191044 /nfs/dbraw/zinc/19/10/44/776191044.db2.gz MOHASUIIDVSLRD-VIFPVBQESA-N -1 1 266.341 2.887 20 30 CFEDMM CC1(C)C[N@@H+](CC/N=C/c2cc(Cl)ccc2O)CCO1 ZINC000195176875 776206747 /nfs/dbraw/zinc/20/67/47/776206747.db2.gz CMBKZWMTWPYADI-LICLKQGHSA-N -1 1 296.798 2.575 20 30 CFEDMM C=CC[C@H](Oc1nc(=O)[nH]c(=O)[n-]1)c1ccc(Cl)cc1 ZINC001227571276 776232256 /nfs/dbraw/zinc/23/22/56/776232256.db2.gz RLJPTEJUCHNBLQ-JTQLQIEISA-N -1 1 293.710 2.632 20 30 CFEDMM N#Cc1c([O-])ccc(OC2Cc3ccccc3C2)c1C#N ZINC001227615407 776245430 /nfs/dbraw/zinc/24/54/30/776245430.db2.gz UVOVIGCFVFQYDL-UHFFFAOYSA-N -1 1 276.295 2.682 20 30 CFEDMM CCOC(=O)C(F)(F)[C@@H](CC)Oc1cc([O-])ccc1C#N ZINC001228006253 776358833 /nfs/dbraw/zinc/35/88/33/776358833.db2.gz YUMSREDJBHXLFW-GFCCVEGCSA-N -1 1 299.273 2.620 20 30 CFEDMM C=C(C)[C@H]1CC=C(C)[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228143055 776408301 /nfs/dbraw/zinc/40/83/01/776408301.db2.gz JBGMGLCFBPBCRD-WDEREUQCSA-N -1 1 291.307 2.770 20 30 CFEDMM CCC#C[C@H](C)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228556368 776520039 /nfs/dbraw/zinc/52/00/39/776520039.db2.gz NZPCBBBPNNBGSX-JTQLQIEISA-N -1 1 262.305 2.871 20 30 CFEDMM CCOC(=O)[C@H](Oc1ccccc1/C(C)=N/[O-])C1CC1 ZINC001229739497 776884006 /nfs/dbraw/zinc/88/40/06/776884006.db2.gz XQFJYOHFSBUACP-DWKHYPNZSA-N -1 1 277.320 2.605 20 30 CFEDMM CCC1=C(Oc2cc([N+](=O)[O-])c(C)cc2[O-])C(=O)[C@H](C)O1 ZINC001229749952 776886097 /nfs/dbraw/zinc/88/60/97/776886097.db2.gz ISDOIZGDLHCQOU-QMMMGPOBSA-N -1 1 293.275 2.597 20 30 CFEDMM Cc1cc([O-])c(O[C@H](C)[C@H](C)S)cc1[N+](=O)[O-] ZINC001229754791 776889201 /nfs/dbraw/zinc/88/92/01/776889201.db2.gz RBIPOBRBWBGPAC-SFYZADRCSA-N -1 1 257.311 2.694 20 30 CFEDMM C#C[C@@H](C)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229801677 776895273 /nfs/dbraw/zinc/89/52/73/776895273.db2.gz GSBGTEGEBJQHHL-SECBINFHSA-N -1 1 296.278 2.758 20 30 CFEDMM CC[C@H](C#Cc1ccccc1)Oc1nc(C)[n-]c(=O)c1OC ZINC001230026034 776943596 /nfs/dbraw/zinc/94/35/96/776943596.db2.gz NQOCLZBJINIMOG-CQSZACIVSA-N -1 1 298.342 2.708 20 30 CFEDMM C=CC[C@@H](CCCC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282261 776972924 /nfs/dbraw/zinc/97/29/24/776972924.db2.gz SVHFTXNYQVIFMN-JTQLQIEISA-N -1 1 252.314 2.710 20 30 CFEDMM N#C[C@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC001232788334 777669703 /nfs/dbraw/zinc/66/97/03/777669703.db2.gz NREUFQVAWWCDFI-LLVKDONJSA-N -1 1 250.729 2.924 20 30 CFEDMM N#C[C@@H]1CCCCN1Cc1c([O-])ccc(F)c1F ZINC001233334955 777893170 /nfs/dbraw/zinc/89/31/70/777893170.db2.gz AZONWKLICQWVGR-VIFPVBQESA-N -1 1 252.264 2.548 20 30 CFEDMM C#CC[C@H](C)Oc1cc([O-])c(O)cc1C(=O)CCC ZINC001233498713 777970180 /nfs/dbraw/zinc/97/01/80/777970180.db2.gz VATPXDPUZGKXFF-JTQLQIEISA-N -1 1 262.305 2.871 20 30 CFEDMM C=C1O[C@H](C)C(=O)C1Oc1cc([O-])ccc1C(=O)CCC ZINC001233649677 778025077 /nfs/dbraw/zinc/02/50/77/778025077.db2.gz CIPYCSNQFDTWIO-SECBINFHSA-N -1 1 290.315 2.973 20 30 CFEDMM C=C[C@H](CC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234039975 778149651 /nfs/dbraw/zinc/14/96/51/778149651.db2.gz UVKTZKVIUFRDME-SECBINFHSA-N -1 1 260.293 2.693 20 30 CFEDMM C=C[C@H](CC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234039975 778149653 /nfs/dbraw/zinc/14/96/53/778149653.db2.gz UVKTZKVIUFRDME-SECBINFHSA-N -1 1 260.293 2.693 20 30 CFEDMM C#C[C@@H](CCC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234042707 778150704 /nfs/dbraw/zinc/15/07/04/778150704.db2.gz ATULMOGYIBUSGE-JTQLQIEISA-N -1 1 272.304 2.530 20 30 CFEDMM C#C[C@@H](CCC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234042707 778150710 /nfs/dbraw/zinc/15/07/10/778150710.db2.gz ATULMOGYIBUSGE-JTQLQIEISA-N -1 1 272.304 2.530 20 30 CFEDMM C#C[C@@H](CCCC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234043542 778151160 /nfs/dbraw/zinc/15/11/60/778151160.db2.gz DGEMIZXMTSAGJB-NSHDSACASA-N -1 1 286.331 2.920 20 30 CFEDMM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1ccccc1C=N[O-] ZINC001234819326 778302691 /nfs/dbraw/zinc/30/26/91/778302691.db2.gz KRCDYULKHGSFSR-OCCSQVGLSA-N -1 1 277.320 2.605 20 30 CFEDMM C#C[C@H]1CCC[C@H]1O/C(=N\[O-])c1cc(F)ccc1F ZINC001223890095 778359995 /nfs/dbraw/zinc/35/99/95/778359995.db2.gz NSTVKMYTLQYZJD-RBSBAYQKSA-N -1 1 265.259 2.919 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C)c(C)c2)c(=O)o1 ZINC000128008179 778470394 /nfs/dbraw/zinc/47/03/94/778470394.db2.gz PLZWLOXSDUGCBG-FYCOFBDGSA-N -1 1 284.311 2.532 20 30 CFEDMM N#Cc1nc(-c2cc([O-])cc(Cl)c2)cc2nc[nH]c21 ZINC001235899051 778598737 /nfs/dbraw/zinc/59/87/37/778598737.db2.gz BGOZLIXWGWWRNH-UHFFFAOYSA-N -1 1 270.679 2.856 20 30 CFEDMM COc1cnc(-c2cc([O-])cc(Cl)c2)c(C#N)c1 ZINC001235901449 778599974 /nfs/dbraw/zinc/59/99/74/778599974.db2.gz VAAPRWWHVRETGG-UHFFFAOYSA-N -1 1 260.680 2.988 20 30 CFEDMM C[C@@]1(F)CCN(Cc2cc(C#N)ccc2[O-])C[C@H]1F ZINC001232673776 778962018 /nfs/dbraw/zinc/96/20/18/778962018.db2.gz NAMYITXJQCNLIG-ZIAGYGMSSA-N -1 1 266.291 2.536 20 30 CFEDMM C[C@H](C#N)N(C)Cc1c(F)c([O-])ccc1Br ZINC001238313377 779292944 /nfs/dbraw/zinc/29/29/44/779292944.db2.gz MPAINYSKFHZZFK-SSDOTTSWSA-N -1 1 287.132 2.638 20 30 CFEDMM CNc1ccc(-c2cc(/C=N/[O-])ccc2F)c(F)n1 ZINC001239429931 779563094 /nfs/dbraw/zinc/56/30/94/779563094.db2.gz YDVCARKXCKOCKE-REZTVBANSA-N -1 1 263.247 2.877 20 30 CFEDMM CO[C@@H](C)CO[C@H](C)COc1ccccc1/C(C)=N/[O-] ZINC001229737947 780462313 /nfs/dbraw/zinc/46/23/13/780462313.db2.gz GCUZTARHTUPWEY-XUMKSBJFSA-N -1 1 281.352 2.704 20 30 CFEDMM CCS(=O)(=O)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001241466471 780918718 /nfs/dbraw/zinc/91/87/18/780918718.db2.gz SLKCNLICVMBJJY-UHFFFAOYSA-N -1 1 289.356 2.955 20 30 CFEDMM C#Cc1cccc(-c2ccc3[n-]c(C(=O)OC)nc3c2)c1 ZINC001241919053 781181930 /nfs/dbraw/zinc/18/19/30/781181930.db2.gz AKSCPNKPIJBVTI-UHFFFAOYSA-N -1 1 276.295 2.998 20 30 CFEDMM C#Cc1cccc(-c2ccc3nc(C(=O)OC)[n-]c3c2)c1 ZINC001241919053 781181931 /nfs/dbraw/zinc/18/19/31/781181931.db2.gz AKSCPNKPIJBVTI-UHFFFAOYSA-N -1 1 276.295 2.998 20 30 CFEDMM N#Cc1c[nH]c2cc(-c3ccc(F)cc3[O-])cnc12 ZINC001242219397 781334239 /nfs/dbraw/zinc/33/42/39/781334239.db2.gz RNYGNXZFBKLNFV-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM Cc1cc(-c2ccc(/C=N/[O-])c(F)c2)cnc1C#N ZINC001242358099 781432894 /nfs/dbraw/zinc/43/28/94/781432894.db2.gz BXBGKTRUYWUKJY-QGMBQPNBSA-N -1 1 255.252 2.876 20 30 CFEDMM COCc1cc(-c2ccc([O-])c(C#N)c2)nc(SC)n1 ZINC001242562886 781601013 /nfs/dbraw/zinc/60/10/13/781601013.db2.gz MSUOTWUDMLABTH-UHFFFAOYSA-N -1 1 287.344 2.589 20 30 CFEDMM C=C(OCC)c1ccc(-c2ccc([O-])c(C#N)c2)nn1 ZINC001242562969 781601430 /nfs/dbraw/zinc/60/14/30/781601430.db2.gz PRURLRADSPZEQW-UHFFFAOYSA-N -1 1 267.288 2.728 20 30 CFEDMM COc1c(C)nc(C2CC2)nc1-c1ccc([O-])c(C#N)c1 ZINC001242563792 781602418 /nfs/dbraw/zinc/60/24/18/781602418.db2.gz LIHBAQLXFJPSOE-UHFFFAOYSA-N -1 1 281.315 2.915 20 30 CFEDMM COC(=O)c1cc2nc[nH]c2c(-c2ccc([O-])c(C#N)c2)c1 ZINC001242564458 781603115 /nfs/dbraw/zinc/60/31/15/781603115.db2.gz AZLMACYUZYJFAQ-UHFFFAOYSA-N -1 1 293.282 2.594 20 30 CFEDMM COC(=O)c1cc(C#N)cc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565064 781603679 /nfs/dbraw/zinc/60/36/79/781603679.db2.gz JRPCBQWFQNWXEA-UHFFFAOYSA-N -1 1 278.267 2.589 20 30 CFEDMM COC(=O)c1nc2cc(-c3ccc([O-])c(C#N)c3)ccc2o1 ZINC001242565545 781604786 /nfs/dbraw/zinc/60/47/86/781604786.db2.gz JKKQDVSXDZWQIT-UHFFFAOYSA-N -1 1 294.266 2.859 20 30 CFEDMM N#Cc1cc(-c2cc(/C=N/[O-])ccc2F)ccc1O ZINC001242565836 781604798 /nfs/dbraw/zinc/60/47/98/781604798.db2.gz USQPPOYWJRCSRJ-CAOOACKPSA-N -1 1 256.236 2.878 20 30 CFEDMM N#Cc1cc(-c2cnc(OCC3CCC3)cn2)ccc1[O-] ZINC001242566597 781606225 /nfs/dbraw/zinc/60/62/25/781606225.db2.gz GZPQAJNHHDJKLM-UHFFFAOYSA-N -1 1 281.315 2.900 20 30 CFEDMM N#Cc1cc(-c2ccc3nnc(C4CC4)n3c2)ccc1[O-] ZINC001242566863 781606513 /nfs/dbraw/zinc/60/65/13/781606513.db2.gz MMSYSBYKQRRRBH-UHFFFAOYSA-N -1 1 276.299 2.851 20 30 CFEDMM N#Cc1cc(-c2ncc(F)c3[nH]ccc32)ccc1[O-] ZINC001242566924 781607067 /nfs/dbraw/zinc/60/70/67/781607067.db2.gz NHKACABRTSBRJR-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM C=CCC[C@H](CC)Oc1nc(C)[n-]c(=O)c1OC ZINC001230026999 781843655 /nfs/dbraw/zinc/84/36/55/781843655.db2.gz UHNQCQMVNAUXTQ-JTQLQIEISA-N -1 1 252.314 2.623 20 30 CFEDMM Cc1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000029388856 346280437 /nfs/dbraw/zinc/28/04/37/346280437.db2.gz WJFKEEPLBNBPMG-UHFFFAOYSA-N -1 1 270.214 2.768 20 30 CFEDMM Cc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1 ZINC000041574333 346353309 /nfs/dbraw/zinc/35/33/09/346353309.db2.gz LGNCPPGSIUSRJB-NSHDSACASA-N -1 1 271.345 2.953 20 30 CFEDMM C[C@@H](CC#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000064346415 346718448 /nfs/dbraw/zinc/71/84/48/346718448.db2.gz XTEJDUWREXRDII-JTQLQIEISA-N -1 1 254.289 2.577 20 30 CFEDMM N#CC1CCC(CN=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000588041265 348768899 /nfs/dbraw/zinc/76/88/99/348768899.db2.gz CUNIZIOLZXFIKX-UHFFFAOYSA-N -1 1 290.314 2.721 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2C2CCC2)c1 ZINC000589178098 348816374 /nfs/dbraw/zinc/81/63/74/348816374.db2.gz YWJXCCXOMXQYLD-OAHLLOKOSA-N -1 1 270.332 2.669 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC3(CC3)c3ccccc32)c1 ZINC000589183838 348816774 /nfs/dbraw/zinc/81/67/74/348816774.db2.gz SSQZWSXDQYPIBF-UHFFFAOYSA-N -1 1 290.322 2.956 20 30 CFEDMM C[C@H]1CC(NC(=O)c2cc([O-])cc(C#N)c2)C[C@H](C)C1 ZINC000589183668 348817317 /nfs/dbraw/zinc/81/73/17/348817317.db2.gz FCTUDRVNPUNAAX-GHMZBOCLSA-N -1 1 272.348 2.818 20 30 CFEDMM COc1cc(C)ccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589189123 348817654 /nfs/dbraw/zinc/81/76/54/348817654.db2.gz FMIFXKXLSABIDI-UHFFFAOYSA-N -1 1 296.326 2.511 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000589190416 348817748 /nfs/dbraw/zinc/81/77/48/348817748.db2.gz SHPKZVUQLGNZRF-LLVKDONJSA-N -1 1 280.274 2.572 20 30 CFEDMM CCCC1(CNC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589190834 348817774 /nfs/dbraw/zinc/81/77/74/348817774.db2.gz ZZAXEBTXSWBYMM-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM CC(C)CSCCCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589195115 348818308 /nfs/dbraw/zinc/81/83/08/348818308.db2.gz NOSJDBXESNJUHE-UHFFFAOYSA-N -1 1 292.404 2.773 20 30 CFEDMM CC[C@@H](CC(F)(F)F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589206203 348819849 /nfs/dbraw/zinc/81/98/49/348819849.db2.gz NUHJIVCACICGBI-JTQLQIEISA-N -1 1 286.253 2.725 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC2(Cc3ccccc3)CC2)c1 ZINC000589209565 348820120 /nfs/dbraw/zinc/82/01/20/348820120.db2.gz NLIJLDYLMNYYJB-UHFFFAOYSA-N -1 1 292.338 2.769 20 30 CFEDMM CC1(C)C[C@]1(C#N)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000589981367 348867270 /nfs/dbraw/zinc/86/72/70/348867270.db2.gz UMSBFOCQKICMAR-CYBMUJFWSA-N -1 1 298.264 2.833 20 30 CFEDMM CC(C)[C@H]1N(C(=O)c2cc([O-])cc(C#N)c2)CC12CCC2 ZINC000590408916 348899042 /nfs/dbraw/zinc/89/90/42/348899042.db2.gz ARHFKONYHQJJCX-OAHLLOKOSA-N -1 1 284.359 2.915 20 30 CFEDMM N#Cc1[n-]c(=N[C@H]2CCOC3(CCCC3)C2)sc1Cl ZINC000590586222 348911397 /nfs/dbraw/zinc/91/13/97/348911397.db2.gz LTPTYSIACKWUIL-VIFPVBQESA-N -1 1 297.811 2.994 20 30 CFEDMM C#CC(C)(C)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000273963005 192379750 /nfs/dbraw/zinc/37/97/50/192379750.db2.gz PGAZLBBKRULXLQ-UHFFFAOYSA-N -1 1 281.739 2.586 20 30 CFEDMM N#CCCCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000594232460 349397754 /nfs/dbraw/zinc/39/77/54/349397754.db2.gz VDCNQBRIXWOFQV-UHFFFAOYSA-N -1 1 284.319 2.805 20 30 CFEDMM N#CC[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000597896731 350151396 /nfs/dbraw/zinc/15/13/96/350151396.db2.gz DJSVWIOPKKTWBO-GFCCVEGCSA-N -1 1 295.342 2.706 20 30 CFEDMM C[C@@H](C#N)N(C(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC000598125225 350201598 /nfs/dbraw/zinc/20/15/98/350201598.db2.gz HJPZQRFZGWXEGS-QMMMGPOBSA-N -1 1 264.712 2.562 20 30 CFEDMM C[C@@H](C#N)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000598132086 350205446 /nfs/dbraw/zinc/20/54/46/350205446.db2.gz FJSSZCVBJNNQCK-QMMMGPOBSA-N -1 1 298.264 2.928 20 30 CFEDMM CCN(C(=O)c1ccc2ccccc2c1[O-])[C@@H](C)C#N ZINC000598350183 350242681 /nfs/dbraw/zinc/24/26/81/350242681.db2.gz NJBQIFWNWQJKMU-NSHDSACASA-N -1 1 268.316 2.920 20 30 CFEDMM N#C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C1CC1 ZINC000601082299 350662363 /nfs/dbraw/zinc/66/23/63/350662363.db2.gz GAYSIEBQVQFNNS-SSDOTTSWSA-N -1 1 257.265 2.514 20 30 CFEDMM Cc1nc(SCc2ccnc(C#N)c2)[n-]c(=O)c1C1CC1 ZINC000601088652 350665068 /nfs/dbraw/zinc/66/50/68/350665068.db2.gz XDIPMHHCQQENQR-UHFFFAOYSA-N -1 1 298.371 2.927 20 30 CFEDMM C[C@H]1CCc2[n-]n(Cc3ccc(C#N)cc3)c(=O)c2C1 ZINC000601947430 350814408 /nfs/dbraw/zinc/81/44/08/350814408.db2.gz RRQNHEPWHMIJRY-SMDDNHRTSA-N -1 1 267.332 2.693 20 30 CFEDMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@H]1CCC[C@H]1C#N ZINC000601814263 350782564 /nfs/dbraw/zinc/78/25/64/350782564.db2.gz ALBAXPAGAZMFRR-CABZTGNLSA-N -1 1 278.739 2.810 20 30 CFEDMM Cc1cc(F)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293850 352076637 /nfs/dbraw/zinc/07/66/37/352076637.db2.gz CHUSTKSJMGTSJI-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM C[C@H](Cc1ccccc1F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614297160 352076995 /nfs/dbraw/zinc/07/69/95/352076995.db2.gz RGPUTILRFSUWKW-LLVKDONJSA-N -1 1 298.317 2.764 20 30 CFEDMM CN(CCc1ccc(F)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614297831 352077300 /nfs/dbraw/zinc/07/73/00/352077300.db2.gz CUEVZSFCXPBRFT-UHFFFAOYSA-N -1 1 298.317 2.718 20 30 CFEDMM CC[C@@H]1CCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000614357197 352084330 /nfs/dbraw/zinc/08/43/30/352084330.db2.gz GMVYYTPXNBBDQI-CYBMUJFWSA-N -1 1 258.321 2.669 20 30 CFEDMM C[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1C ZINC000614357054 352084430 /nfs/dbraw/zinc/08/44/30/352084430.db2.gz NGAQPYOUAZEIHD-UEKVPHQBSA-N -1 1 272.348 2.818 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3ccccc3F)CC2)c1 ZINC000614369838 352086131 /nfs/dbraw/zinc/08/61/31/352086131.db2.gz BFJLXAZPXYPAKE-UHFFFAOYSA-N -1 1 296.301 2.822 20 30 CFEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)c1nc(C)cs1 ZINC000614370531 352086239 /nfs/dbraw/zinc/08/62/39/352086239.db2.gz MBAZIGQYDDXZCS-UHFFFAOYSA-N -1 1 287.344 2.696 20 30 CFEDMM CC1(C)CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000615829827 352245972 /nfs/dbraw/zinc/24/59/72/352245972.db2.gz VZLVLHKWFRLUKS-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000617042527 352478039 /nfs/dbraw/zinc/47/80/39/352478039.db2.gz SKAHQWRFSBMXMU-BXUZGUMPSA-N -1 1 260.337 2.652 20 30 CFEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(F)ccc1[O-] ZINC000618890699 352906379 /nfs/dbraw/zinc/90/63/79/352906379.db2.gz LLUCTSVPEZOYBS-HNNXBMFYSA-N -1 1 296.301 2.820 20 30 CFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCC(C)(C)C1 ZINC000619456985 353026489 /nfs/dbraw/zinc/02/64/89/353026489.db2.gz SHPVXYORRPKVGM-ZDUSSCGKSA-N -1 1 272.348 2.915 20 30 CFEDMM CC[C@@H](CC#N)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582704 353038142 /nfs/dbraw/zinc/03/81/42/353038142.db2.gz OPMUGGMIWFFGCD-VIFPVBQESA-N -1 1 286.253 2.833 20 30 CFEDMM C=CC(C)(C)CC[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000625327056 354022900 /nfs/dbraw/zinc/02/29/00/354022900.db2.gz AVFDOXJPABFWME-UHFFFAOYSA-N -1 1 288.438 2.641 20 30 CFEDMM C=CCCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632798254 355746097 /nfs/dbraw/zinc/74/60/97/355746097.db2.gz UFVFZRCBRHGFBU-UHFFFAOYSA-N -1 1 253.729 2.671 20 30 CFEDMM C=C(C)CCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633307710 355861748 /nfs/dbraw/zinc/86/17/48/355861748.db2.gz VGEDMZSYYCLOLL-UHFFFAOYSA-N -1 1 253.729 2.671 20 30 CFEDMM C=C(CC)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633360583 355875262 /nfs/dbraw/zinc/87/52/62/355875262.db2.gz IWAYGEXRWNCRCH-UHFFFAOYSA-N -1 1 253.729 2.671 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCCCc3ccccc32)n1 ZINC000009666346 371900452 /nfs/dbraw/zinc/90/04/52/371900452.db2.gz JSCBDROKGJUYHK-RGEXLXHISA-N -1 1 282.347 2.621 20 30 CFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000050212741 373363564 /nfs/dbraw/zinc/36/35/64/373363564.db2.gz BIUYYRZPUUPVDI-UHFFFAOYSA-N -1 1 297.339 2.539 20 30 CFEDMM C[C@H]1CC(C)(C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000335200935 220237871 /nfs/dbraw/zinc/23/78/71/220237871.db2.gz JRQMKRZUERUYCF-JTQLQIEISA-N -1 1 258.321 2.524 20 30 CFEDMM N#Cc1cc([N+](=O)[O-])cnc1Sc1cccc([O-])c1 ZINC000130426820 377556531 /nfs/dbraw/zinc/55/65/31/377556531.db2.gz SWRXAQMDXFPFSB-UHFFFAOYSA-N -1 1 273.273 2.718 20 30 CFEDMM COC(C)(C)C[C@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC000330482174 378567978 /nfs/dbraw/zinc/56/79/78/378567978.db2.gz WNTCXZOIIMHVTB-JTQLQIEISA-N -1 1 266.341 2.604 20 30 CFEDMM C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000335524934 379451698 /nfs/dbraw/zinc/45/16/98/379451698.db2.gz WEDZZYRPSLCVPS-ZWNOBZJWSA-N -1 1 258.321 2.524 20 30 CFEDMM CC[C@@](C)(C#N)C(=O)Nc1ccc([O-])c(F)c1F ZINC000335219872 380027056 /nfs/dbraw/zinc/02/70/56/380027056.db2.gz SXVSGQRYJSZHNR-LBPRGKRZSA-N -1 1 254.236 2.549 20 30 CFEDMM N#Cc1ccc2c(c1)N(C(=O)c1ccc([O-])cc1F)CC2 ZINC000335959811 380162270 /nfs/dbraw/zinc/16/22/70/380162270.db2.gz QLJOVLGRRALEHC-UHFFFAOYSA-N -1 1 282.274 2.606 20 30 CFEDMM C=CCC[C@H](C(=O)[N-]OCCCOC)c1ccccc1 ZINC000287820218 380949441 /nfs/dbraw/zinc/94/94/41/380949441.db2.gz MYFZMCIIWRTIBH-HNNXBMFYSA-N -1 1 277.364 2.821 20 30 CFEDMM C=CCC(C)(C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000295557649 380941217 /nfs/dbraw/zinc/94/12/17/380941217.db2.gz JNBQIWRHVGWTFR-UHFFFAOYSA-N -1 1 267.300 2.569 20 30 CFEDMM C=CC(C)(C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000295571992 380948805 /nfs/dbraw/zinc/94/88/05/380948805.db2.gz WGXPGWNTJGEKPT-UHFFFAOYSA-N -1 1 285.141 2.700 20 30 CFEDMM CCCC1(CNC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188743532 382468627 /nfs/dbraw/zinc/46/86/27/382468627.db2.gz UUIIAVXFPJBPIK-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188828885 382485436 /nfs/dbraw/zinc/48/54/36/382485436.db2.gz FRRGUSDVELVKIA-MFKMUULPSA-N -1 1 258.321 2.524 20 30 CFEDMM C=CC(C)(C)CN=c1nc(C(F)(F)F)[n-]s1 ZINC000395425900 382630125 /nfs/dbraw/zinc/63/01/25/382630125.db2.gz DQCULJHSWUWNKA-UHFFFAOYSA-N -1 1 251.277 2.603 20 30 CFEDMM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189797509 382641339 /nfs/dbraw/zinc/64/13/39/382641339.db2.gz RLRADKUOWAKQEE-ZWNOBZJWSA-N -1 1 258.321 2.572 20 30 CFEDMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000190141618 382654804 /nfs/dbraw/zinc/65/48/04/382654804.db2.gz KPBQXOALVNCZAG-ZWNOBZJWSA-N -1 1 258.321 2.572 20 30 CFEDMM C=C[C@](C)(CC)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000191137292 382692540 /nfs/dbraw/zinc/69/25/40/382692540.db2.gz DEKGJSGALQMTGC-CQSZACIVSA-N -1 1 274.324 2.914 20 30 CFEDMM N#Cc1ccc(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1[O-] ZINC000575842974 382801385 /nfs/dbraw/zinc/80/13/85/382801385.db2.gz GGJFENIAABTNMJ-GDBMZVCRSA-N -1 1 282.343 2.524 20 30 CFEDMM N#CC(=C([O-])c1ccccc1OCC1CC1)c1ccncn1 ZINC000545447350 382977505 /nfs/dbraw/zinc/97/75/05/382977505.db2.gz WXIIQSXQOVXXPL-AWEZNQCLSA-N -1 1 293.326 2.755 20 30 CFEDMM CCCC[C@H](CCC)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553429733 383108697 /nfs/dbraw/zinc/10/86/97/383108697.db2.gz PLEVVTVXHIPVSM-NSHDSACASA-N -1 1 284.381 2.788 20 30 CFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425215760 383341913 /nfs/dbraw/zinc/34/19/13/383341913.db2.gz JNWZCEKGRFENNF-VIFPVBQESA-N -1 1 275.320 2.516 20 30 CFEDMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000526943455 383440075 /nfs/dbraw/zinc/44/00/75/383440075.db2.gz PZMRAFBDCPECLW-HZMBPMFUSA-N -1 1 296.326 2.910 20 30 CFEDMM CC(C)N(Cc1ccccn1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000527482707 383469705 /nfs/dbraw/zinc/46/97/05/383469705.db2.gz PESVAZXFZCTPTC-UHFFFAOYSA-N -1 1 295.342 2.710 20 30 CFEDMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000431187820 383638587 /nfs/dbraw/zinc/63/85/87/383638587.db2.gz RQEFEKXZNYCEGA-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM CCc1cc(=O)[n-]c(SCC(=O)c2cccc(C#N)c2)n1 ZINC000436242167 383790984 /nfs/dbraw/zinc/79/09/84/383790984.db2.gz NKQPDPJWPYFZMK-UHFFFAOYSA-N -1 1 299.355 2.591 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000437522176 383905738 /nfs/dbraw/zinc/90/57/38/383905738.db2.gz WRCBFZHUGBUHNV-HZMBPMFUSA-N -1 1 295.766 2.757 20 30 CFEDMM CC[C@@H](CC#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000183789123 393522626 /nfs/dbraw/zinc/52/26/26/393522626.db2.gz CEHLVWAYQAIMDH-VIFPVBQESA-N -1 1 286.253 2.833 20 30 CFEDMM CCCN(CC1CC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188218616 393562924 /nfs/dbraw/zinc/56/29/24/393562924.db2.gz UFNYVBABMCHGSK-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000120240949 393932277 /nfs/dbraw/zinc/93/22/77/393932277.db2.gz VUGMKHPDVLOSOY-UHFFFAOYSA-N -1 1 281.377 2.793 20 30 CFEDMM CC(C)(C)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000416637109 393934228 /nfs/dbraw/zinc/93/42/28/393934228.db2.gz SYNRNTMEVZNDJW-NWDGAFQWSA-N -1 1 296.392 2.644 20 30 CFEDMM Oc1ccccc1/C=N/CC[N@H+]1CCc2sccc2C1 ZINC000122206943 393966004 /nfs/dbraw/zinc/96/60/04/393966004.db2.gz JMUOUTPHMHNWEP-GZTJUZNOSA-N -1 1 286.400 2.931 20 30 CFEDMM C#C[C@@H](CC)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000491680251 394055875 /nfs/dbraw/zinc/05/58/75/394055875.db2.gz IDKUQXHHVSKKGY-JTQLQIEISA-N -1 1 281.739 2.586 20 30 CFEDMM C=CCC(C)(C)CNC(=O)c1ccc([O-])c(F)c1 ZINC000647120853 395165236 /nfs/dbraw/zinc/16/52/36/395165236.db2.gz UXXDHYZDKFJMGT-UHFFFAOYSA-N -1 1 251.301 2.863 20 30 CFEDMM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000649257872 395463200 /nfs/dbraw/zinc/46/32/00/395463200.db2.gz YCBNCQJCABJGGW-SKDRFNHKSA-N -1 1 267.712 2.575 20 30 CFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1F ZINC000051637864 397589848 /nfs/dbraw/zinc/58/98/48/397589848.db2.gz OZJZDNDTEBSVMA-UHFFFAOYSA-N -1 1 294.282 2.637 20 30 CFEDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000005134346 170069636 /nfs/dbraw/zinc/06/96/36/170069636.db2.gz YGNMVGOAZJCWOV-UHFFFAOYSA-N -1 1 286.356 2.921 20 30 CFEDMM COc1ccc(CO)cc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001243173686 782034049 /nfs/dbraw/zinc/03/40/49/782034049.db2.gz BOFSVSFTCLCRGH-CAOOACKPSA-N -1 1 275.279 2.802 20 30 CFEDMM CCC(CC)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000072673325 260277926 /nfs/dbraw/zinc/27/79/26/260277926.db2.gz CAFJDFLUXWOHKI-UHFFFAOYSA-N -1 1 250.224 2.848 20 30 CFEDMM CN(Cc1ccccc1F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188216050 262284744 /nfs/dbraw/zinc/28/47/44/262284744.db2.gz RFHSGHGJBVUNDA-UHFFFAOYSA-N -1 1 284.290 2.675 20 30 CFEDMM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)CCC1CC1 ZINC000272499205 263005473 /nfs/dbraw/zinc/00/54/73/263005473.db2.gz UCMMSFPVHKCYHQ-NSHDSACASA-N -1 1 294.376 2.519 20 30 CFEDMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CC[C@H](C#N)C1 ZINC000278759491 263050721 /nfs/dbraw/zinc/05/07/21/263050721.db2.gz XTDDAXYBMSUVTB-UWVGGRQHSA-N -1 1 288.376 2.521 20 30 CFEDMM CC(C)(C#N)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000288944744 263106707 /nfs/dbraw/zinc/10/67/07/263106707.db2.gz BMOOHZGPQZJRGJ-UHFFFAOYSA-N -1 1 261.256 2.674 20 30 CFEDMM C[C@H](CCC#N)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000289465939 263110346 /nfs/dbraw/zinc/11/03/46/263110346.db2.gz GTMHZWCKMGEKKY-ZCFIWIBFSA-N -1 1 259.281 2.904 20 30 CFEDMM N#Cc1ccc(C(=O)NCC2(C(N)=O)CCCC2)cc1[O-] ZINC000331274467 264169731 /nfs/dbraw/zinc/16/97/31/264169731.db2.gz PNQZOOKGRQXOGH-UHFFFAOYSA-N -1 1 287.319 2.664 20 30 CFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCCCC1 ZINC000188528095 264211333 /nfs/dbraw/zinc/21/13/33/264211333.db2.gz AGEXQUFHZDIGFG-LLVKDONJSA-N -1 1 272.348 2.962 20 30 CFEDMM C[C@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C[C@@H](C)C1 ZINC000249048648 281045965 /nfs/dbraw/zinc/04/59/65/281045965.db2.gz FPXMHWFYIKHVBA-YABSGUDNSA-N -1 1 272.348 2.818 20 30 CFEDMM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561504304 282056207 /nfs/dbraw/zinc/05/62/07/282056207.db2.gz KWKABIRMTSXUIH-CHWSQXEVSA-N -1 1 296.392 2.644 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1[O-] ZINC000188240897 324011354 /nfs/dbraw/zinc/01/13/54/324011354.db2.gz NQCRHZNZERUMLX-NSHDSACASA-N -1 1 298.264 2.678 20 30 CFEDMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188266819 324011896 /nfs/dbraw/zinc/01/18/96/324011896.db2.gz IJGMXBHNKQGMRK-BXUZGUMPSA-N -1 1 272.348 2.915 20 30 CFEDMM C=CCC(C)(C)CNC(=O)c1cc(F)ccc1[O-] ZINC000311075715 327029744 /nfs/dbraw/zinc/02/97/44/327029744.db2.gz NEIGFSQZODTCQZ-UHFFFAOYSA-N -1 1 251.301 2.863 20 30 CFEDMM C=CCN(CC=C)Cc1cc(C(=O)[O-])sc1C ZINC000155978243 327399784 /nfs/dbraw/zinc/39/97/84/327399784.db2.gz ARMZIMDZWMSPNL-UHFFFAOYSA-N -1 1 251.351 2.929 20 30 CFEDMM CCc1nc(S[C@@H](C)CCC#N)[n-]c(=O)c1C ZINC000566498659 327400478 /nfs/dbraw/zinc/40/04/78/327400478.db2.gz FNABQKXSQDZIQH-QMMMGPOBSA-N -1 1 251.355 2.837 20 30 CFEDMM N#C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000161731486 329953655 /nfs/dbraw/zinc/95/36/55/329953655.db2.gz IBYRCIIHGLNQPC-CQSZACIVSA-N -1 1 266.300 2.577 20 30 CFEDMM C=C(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277598095 330116527 /nfs/dbraw/zinc/11/65/27/330116527.db2.gz VBFFLTCWEKIOMI-UHFFFAOYSA-N -1 1 299.168 2.530 20 30 CFEDMM CC1(C)C[C@@]1(C#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436649839 330682311 /nfs/dbraw/zinc/68/23/11/330682311.db2.gz UNDWIIORDUQOEU-KRWDZBQOSA-N -1 1 280.327 2.967 20 30 CFEDMM N#C[C@H]1CC[C@@H](Sc2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000450834522 331001884 /nfs/dbraw/zinc/00/18/84/331001884.db2.gz DFGHUEDPUVPHFE-NKWVEPMBSA-N -1 1 289.282 2.985 20 30 CFEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000451808095 331043162 /nfs/dbraw/zinc/04/31/62/331043162.db2.gz IPDHFGZABCDABR-UHFFFAOYSA-N -1 1 293.310 2.594 20 30 CFEDMM C=CC(C)(C)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000456113366 331184394 /nfs/dbraw/zinc/18/43/94/331184394.db2.gz GHXFCQCIGSSLOY-UHFFFAOYSA-N -1 1 283.755 2.996 20 30 CFEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000456258329 331187563 /nfs/dbraw/zinc/18/75/63/331187563.db2.gz FZVCFRZXQODHQG-YPMHNXCESA-N -1 1 281.739 2.509 20 30 CFEDMM C=CCn1c(Cc2ccc(F)cc2)n[n-]c1=NC(C)(C)C ZINC000463101214 331340333 /nfs/dbraw/zinc/34/03/33/331340333.db2.gz DKVWHBJVYYOLGE-UHFFFAOYSA-N -1 1 288.370 2.826 20 30 CFEDMM C#C[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000491284909 332180700 /nfs/dbraw/zinc/18/07/00/332180700.db2.gz AQNNAPSEWSVJMI-QMMMGPOBSA-N -1 1 271.238 2.505 20 30 CFEDMM C=CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000077612348 334109545 /nfs/dbraw/zinc/10/95/45/334109545.db2.gz VPSJKIYHVYHFKN-UHFFFAOYSA-N -1 1 292.335 2.655 20 30 CFEDMM N#CC(=C([O-])c1ccccc1OC(F)F)c1ccncn1 ZINC000354476939 534740709 /nfs/dbraw/zinc/74/07/09/534740709.db2.gz SNOBATXXIDDADR-JTQLQIEISA-N -1 1 289.241 2.568 20 30 CFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000049487783 526008688 /nfs/dbraw/zinc/00/86/88/526008688.db2.gz IEWCNOXKXCSBGU-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1[O-] ZINC000335519158 526592798 /nfs/dbraw/zinc/59/27/98/526592798.db2.gz XEJVDPLPBKHKDQ-FZMZJTMJSA-N -1 1 270.332 2.669 20 30 CFEDMM N#Cc1ccc(C(=O)NC2CCC(F)(F)CC2)cc1[O-] ZINC000336170855 526593742 /nfs/dbraw/zinc/59/37/42/526593742.db2.gz CIXXAGIDSPEYPD-UHFFFAOYSA-N -1 1 280.274 2.572 20 30 CFEDMM N#Cc1ccc(CCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340329625 526607646 /nfs/dbraw/zinc/60/76/46/526607646.db2.gz ZQSNJHQSIQQMST-UHFFFAOYSA-N -1 1 284.290 2.974 20 30 CFEDMM N#Cc1ccccc1CN1CCC(CCC(=O)[O-])CC1 ZINC000050926226 526735879 /nfs/dbraw/zinc/73/58/79/526735879.db2.gz RJQVSAOTVQEGMT-UHFFFAOYSA-N -1 1 272.348 2.635 20 30 CFEDMM CCN(CCc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188276850 528591127 /nfs/dbraw/zinc/59/11/27/528591127.db2.gz OKMDNFBXKZNNOC-UHFFFAOYSA-N -1 1 294.354 2.969 20 30 CFEDMM CC(C)n1cc(C(C)N=Nc2ccccc2C(=O)[O-])cn1 ZINC000746681549 574053918 /nfs/dbraw/zinc/05/39/18/574053918.db2.gz DOCNUIFIESDSOZ-UHFFFAOYSA-N -1 1 286.335 2.998 20 30 CFEDMM O=C(/C=C\c1cn(-c2ccccc2)nn1)c1ccc([O-])cc1 ZINC000727745278 574063816 /nfs/dbraw/zinc/06/38/16/574063816.db2.gz VWBMGXGLVFRVSD-FLIBITNWSA-N -1 1 291.310 2.869 20 30 CFEDMM CC(=NNc1cn[nH]c(=O)c1Cl)c1ccc(F)cc1[O-] ZINC000727776734 574064548 /nfs/dbraw/zinc/06/45/48/574064548.db2.gz DJCBWYPWYNIYTI-UHFFFAOYSA-N -1 1 296.689 2.516 20 30 CFEDMM COc1ccc(C)cc1C(C)=NNc1nc(C)cc(=O)[n-]1 ZINC000744516958 574078976 /nfs/dbraw/zinc/07/89/76/574078976.db2.gz UZDGYPWHHNOCNQ-UHFFFAOYSA-N -1 1 286.335 2.644 20 30 CFEDMM O=C(/C=C/c1ccccc1-n1cncn1)c1ccc([O-])cc1 ZINC000745312780 574109517 /nfs/dbraw/zinc/10/95/17/574109517.db2.gz DZABDHYAXSBJLS-JXMROGBWSA-N -1 1 291.310 2.869 20 30 CFEDMM CC(=NNc1ccc(F)cn1)c1ccc(C(=O)[O-])cc1 ZINC000731320994 574116584 /nfs/dbraw/zinc/11/65/84/574116584.db2.gz BHZKSPWJZXUBHI-UHFFFAOYSA-N -1 1 273.267 2.755 20 30 CFEDMM C[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000738217295 574160187 /nfs/dbraw/zinc/16/01/87/574160187.db2.gz VXPOMBJKBXUQKO-OJUYWVBPSA-N -1 1 262.092 2.591 20 30 CFEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1cncc(F)c1 ZINC000755593693 574170078 /nfs/dbraw/zinc/17/00/78/574170078.db2.gz OMEYEEWQSHFDHP-HNQUOIGGSA-N -1 1 261.227 2.962 20 30 CFEDMM Cn1c2ccccc2nc1NN=Cc1cccc(F)c1O ZINC000755649194 574174701 /nfs/dbraw/zinc/17/47/01/574174701.db2.gz UTCGYQRETCYKIR-UHFFFAOYSA-N -1 1 284.294 2.864 20 30 CFEDMM Cn1c2ccccc2[nH]c1=NN=Cc1cccc(F)c1[O-] ZINC000755649194 574174703 /nfs/dbraw/zinc/17/47/03/574174703.db2.gz UTCGYQRETCYKIR-UHFFFAOYSA-N -1 1 284.294 2.864 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCc3c2cccc3C)n1 ZINC000729146196 574179275 /nfs/dbraw/zinc/17/92/75/574179275.db2.gz PVIJVTSKKJBIJL-UHFFFAOYSA-N -1 1 268.320 2.561 20 30 CFEDMM C=C(C)[C@@H](C)OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000756006082 574203844 /nfs/dbraw/zinc/20/38/44/574203844.db2.gz MLTILWDWJAOBFT-SNVBAGLBSA-N -1 1 296.392 2.653 20 30 CFEDMM CCCN(Cc1ccccc1C#N)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739358244 574209962 /nfs/dbraw/zinc/20/99/62/574209962.db2.gz AGQVONHAVDTNNZ-OAHLLOKOSA-N -1 1 287.363 2.523 20 30 CFEDMM O=C([O-])COc1cccc(CN=Nc2ccccc2F)c1 ZINC000733203501 574210594 /nfs/dbraw/zinc/21/05/94/574210594.db2.gz MXIWVJCYYPLZAP-UHFFFAOYSA-N -1 1 288.278 2.735 20 30 CFEDMM COCCON=C(C)c1ccc(Br)cc1[O-] ZINC000756830191 574266193 /nfs/dbraw/zinc/26/61/93/574266193.db2.gz YHDUUSGUMIIKAR-UHFFFAOYSA-N -1 1 288.141 2.542 20 30 CFEDMM Cn1ccnc1C(=O)/C=C\c1ccc([O-])c(Cl)c1 ZINC000735792632 574336111 /nfs/dbraw/zinc/33/61/11/574336111.db2.gz HMQLIVDCHCLTGZ-HYXAFXHYSA-N -1 1 262.696 2.675 20 30 CFEDMM COC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000900096273 620637492 /nfs/dbraw/zinc/63/74/92/620637492.db2.gz YFHDNAFGTCSABN-UHFFFAOYSA-N -1 1 290.146 2.890 20 30 CFEDMM Cc1cccc(F)c1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000832969555 600756544 /nfs/dbraw/zinc/75/65/44/600756544.db2.gz LANOZVOEQZGNBC-MRXNPFEDSA-N -1 1 298.317 2.921 20 30 CFEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCCC(=O)[O-] ZINC000821320784 601429448 /nfs/dbraw/zinc/42/94/48/601429448.db2.gz YNUXDPVYVOLMNW-CABCVRRESA-N -1 1 272.348 2.623 20 30 CFEDMM Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c(O)c1 ZINC000832910746 601825961 /nfs/dbraw/zinc/82/59/61/601825961.db2.gz CXTKSIJGDBGWTO-ZZXKWVIFSA-N -1 1 272.256 2.888 20 30 CFEDMM O=C([O-])c1occc1/C=C/C(=O)c1cc(F)ccc1O ZINC000833093821 601826039 /nfs/dbraw/zinc/82/60/39/601826039.db2.gz BVOKZNWKJCPAAH-HNQUOIGGSA-N -1 1 276.219 2.719 20 30 CFEDMM O=C([O-])c1occc1/C=C\C(=O)c1ccccc1O ZINC000833095396 601826106 /nfs/dbraw/zinc/82/61/06/601826106.db2.gz SMZNQHFXUATEMH-WAYWQWQTSA-N -1 1 258.229 2.580 20 30 CFEDMM Cc1ccc(N=NCc2cccc3c2N(C(=O)[O-])CC3)nc1 ZINC000830396085 603822954 /nfs/dbraw/zinc/82/29/54/603822954.db2.gz TYJZNQOMAGPKPH-UHFFFAOYSA-N -1 1 296.330 2.877 20 30 CFEDMM O=C([O-])N1CCCc2cccc(C=NNc3ccccn3)c21 ZINC000832019024 604828420 /nfs/dbraw/zinc/82/84/20/604828420.db2.gz UVBWFWJOZAFDEI-UHFFFAOYSA-N -1 1 296.330 2.958 20 30 CFEDMM C=CCOc1ccccc1CN[C@H](C(=O)[O-])c1cccnc1 ZINC000825702305 605000576 /nfs/dbraw/zinc/00/05/76/605000576.db2.gz IXMZETFOLYXSAG-INIZCTEOSA-N -1 1 298.342 2.562 20 30 CFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCCC(C)C)o1 ZINC000820242750 606988611 /nfs/dbraw/zinc/98/86/11/606988611.db2.gz QNIUVDXRROTWNZ-UHFFFAOYSA-N -1 1 291.359 2.777 20 30 CFEDMM O=C(/C=C\c1ccc2c(c1)OCCO2)c1cc(O)ccc1[O-] ZINC000254985492 617714557 /nfs/dbraw/zinc/71/45/57/617714557.db2.gz UCRLZBWARMLTRT-RJRFIUFISA-N -1 1 298.294 2.765 20 30 CFEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(F)nc2)c(O)c1 ZINC000806558744 617719220 /nfs/dbraw/zinc/71/92/20/617719220.db2.gz KKAFRCPOOFTJMO-ORCRQEGFSA-N -1 1 287.246 2.521 20 30 CFEDMM COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1O ZINC000255295168 618166783 /nfs/dbraw/zinc/16/67/83/618166783.db2.gz PUTJPTVNAHWDHE-DJWKRKHSSA-N -1 1 286.283 2.708 20 30 CFEDMM O=C(/C=C\c1ccc2c(c1)CCO2)c1cc(O)ccc1[O-] ZINC000255301027 618181928 /nfs/dbraw/zinc/18/19/28/618181928.db2.gz VOHILZTYUPDMDE-RJRFIUFISA-N -1 1 282.295 2.929 20 30 CFEDMM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1O ZINC000255741062 618274610 /nfs/dbraw/zinc/27/46/10/618274610.db2.gz NRMVAZMTMGFZDD-YVMONPNESA-N -1 1 285.255 2.902 20 30 CFEDMM C[C@@H]1CO[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000901372484 620793158 /nfs/dbraw/zinc/79/31/58/620793158.db2.gz FAZAQJWPFLWXRX-BLLLJJGKSA-N -1 1 285.343 2.983 20 30 CFEDMM CO[C@@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370217 620796964 /nfs/dbraw/zinc/79/69/64/620796964.db2.gz VJTKABDBIULLRJ-NSHDSACASA-N -1 1 259.305 2.593 20 30 CFEDMM CCc1nn(C)cc1/C=C1\CCc2cc([O-])ccc2C1=O ZINC000179740868 618343204 /nfs/dbraw/zinc/34/32/04/618343204.db2.gz JOAQZIRMTPBBOE-XYOKQWHBSA-N -1 1 282.343 2.901 20 30 CFEDMM Cc1ccc2ncc(/C=C3\Oc4cc([O-])ccc4C3=O)n2c1 ZINC000178766668 618364351 /nfs/dbraw/zinc/36/43/51/618364351.db2.gz WBIGKJUIMPOOON-UUASQNMZSA-N -1 1 292.294 2.965 20 30 CFEDMM C[C@@H](O)CN(C)N=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000841654939 618439089 /nfs/dbraw/zinc/43/90/89/618439089.db2.gz ZAAYQQUDUHPKMV-SNVBAGLBSA-N -1 1 292.766 2.845 20 30 CFEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1C ZINC000162683409 618459975 /nfs/dbraw/zinc/45/99/75/618459975.db2.gz NZWFQRAVAZPRPB-LLVKDONJSA-N -1 1 297.314 2.507 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cs2)c(=O)o1 ZINC000195333094 618949998 /nfs/dbraw/zinc/94/99/98/618949998.db2.gz HINUXYOBBWKSNM-JDGPPOGSSA-N -1 1 296.731 2.630 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2sccc2Cl)c(=O)o1 ZINC000195333067 618950089 /nfs/dbraw/zinc/95/00/89/618950089.db2.gz MLQNVFHQQNYWHV-QAVQXKDTSA-N -1 1 296.731 2.630 20 30 CFEDMM C#CCCCS(=O)(=O)[N-]c1nccc2ccc(C)cc21 ZINC000840949202 619117992 /nfs/dbraw/zinc/11/79/92/619117992.db2.gz QUKXVQQEEWESOH-UHFFFAOYSA-N -1 1 288.372 2.698 20 30 CFEDMM C#CCCCS(=O)(=O)[N-]c1ccc(CCC(C)C)cn1 ZINC000840949597 619119870 /nfs/dbraw/zinc/11/98/70/619119870.db2.gz ZIYLQVVHEMUHNF-UHFFFAOYSA-N -1 1 294.420 2.825 20 30 CFEDMM Cn1nc([N-]c2cc(C#N)sc2[N+](=O)[O-])cc1C1CC1 ZINC000893909078 619245332 /nfs/dbraw/zinc/24/53/32/619245332.db2.gz VQPHXEZVPFITKM-UHFFFAOYSA-N -1 1 289.320 2.882 20 30 CFEDMM C#CCC1(C(=O)[N-]OCc2ccccn2)CCCCC1 ZINC000909541130 619848158 /nfs/dbraw/zinc/84/81/58/619848158.db2.gz PYHYSHUCYNFABS-UHFFFAOYSA-N -1 1 272.348 2.603 20 30 CFEDMM Cn1nc2c(c1/C=C1\CCc3cc([O-])ccc3C1=O)CCC2 ZINC000899352241 620547773 /nfs/dbraw/zinc/54/77/73/620547773.db2.gz CLZSYCPYHZYBRA-ZRDIBKRKSA-N -1 1 294.354 2.827 20 30 CFEDMM O=C(c1ncccn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000899895027 620609717 /nfs/dbraw/zinc/60/97/17/620609717.db2.gz CLDBHYFSAAEGCD-UHFFFAOYSA-N -1 1 298.129 2.815 20 30 CFEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1cnn(CCF)c1 ZINC000901471960 620832773 /nfs/dbraw/zinc/83/27/73/620832773.db2.gz UXIXIEUGNHDUML-NTUHNPAUSA-N -1 1 286.306 2.771 20 30 CFEDMM C=C[C@@H]1CCCCN1Cc1csc(C(=O)[O-])c1 ZINC000902544219 621116950 /nfs/dbraw/zinc/11/69/50/621116950.db2.gz DBHPBCOHXNFDAT-LLVKDONJSA-N -1 1 251.351 2.987 20 30 CFEDMM CC1=C(C([O-])=C2C(=O)CC(C)(C)CC2=O)CCN1C(C)C ZINC000902837641 621188365 /nfs/dbraw/zinc/18/83/65/621188365.db2.gz MLWDNROEVXOQDC-UHFFFAOYSA-N -1 1 291.391 2.518 20 30 CFEDMM C[C@@H]1C[C@@H](C)[C@H](C(=O)N([O-])Cc2ccccc2Cl)O1 ZINC000904193188 621546868 /nfs/dbraw/zinc/54/68/68/621546868.db2.gz LKXRCHKLVYLLAK-GIPNMCIBSA-N -1 1 283.755 2.871 20 30 CFEDMM CCCCN([O-])C(=O)C(=O)c1ccc(OC)c(Cl)c1 ZINC000904212925 621554688 /nfs/dbraw/zinc/55/46/88/621554688.db2.gz YMNQIHZAXNLWJB-UHFFFAOYSA-N -1 1 285.727 2.549 20 30 CFEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-]C1(C(F)F)CC1 ZINC000908023600 622187279 /nfs/dbraw/zinc/18/72/79/622187279.db2.gz QFPWZPJLCAZTGI-UHFFFAOYSA-N -1 1 286.228 2.564 20 30 CFEDMM N#CCCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909988708 622382228 /nfs/dbraw/zinc/38/22/28/622382228.db2.gz XHOGCIDCCFVMEY-UHFFFAOYSA-N -1 1 254.236 2.693 20 30 CFEDMM CC1CC(C#N)(C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910982761 622494396 /nfs/dbraw/zinc/49/43/96/622494396.db2.gz PQZBGALXNNXKLD-UHFFFAOYSA-N -1 1 266.247 2.549 20 30 CFEDMM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1O ZINC000157320039 623029662 /nfs/dbraw/zinc/02/96/62/623029662.db2.gz NRMVAZMTMGFZDD-VMPITWQZSA-N -1 1 285.255 2.902 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cccc2c1OCO2 ZINC000915988412 624205022 /nfs/dbraw/zinc/20/50/22/624205022.db2.gz VTYSCQLPKQMLHR-NSIKDUERSA-N -1 1 282.251 2.737 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccccc1C ZINC000916241585 624230799 /nfs/dbraw/zinc/23/07/99/624230799.db2.gz AAAWGTGBKQSECU-UHFFFAOYSA-N -1 1 256.309 2.635 20 30 CFEDMM Cc1[nH][n-]c(=O)c1Sc1ccc(C#N)c(C(F)(F)F)c1 ZINC000917413291 624340602 /nfs/dbraw/zinc/34/06/02/624340602.db2.gz ZROPSLPDGOMAON-JTQLQIEISA-N -1 1 299.277 2.543 20 30 CFEDMM CC(C)[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000920865079 624777109 /nfs/dbraw/zinc/77/71/09/624777109.db2.gz ZCGXFYXIJDVXKP-CYBMUJFWSA-N -1 1 284.281 2.972 20 30 CFEDMM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000233898152 624959735 /nfs/dbraw/zinc/95/97/35/624959735.db2.gz RHWORWVLUCHPOW-LURJTMIESA-N -1 1 298.216 2.745 20 30 CFEDMM C#CCCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180607645 625029817 /nfs/dbraw/zinc/02/98/17/625029817.db2.gz CMWVYUGACPJEQX-UHFFFAOYSA-N -1 1 271.238 2.554 20 30 CFEDMM CC(C)(C#N)CC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834826554 625884193 /nfs/dbraw/zinc/88/41/93/625884193.db2.gz UATSWYZRWMMVDR-UHFFFAOYSA-N -1 1 266.728 2.602 20 30 CFEDMM CC(=NO[C@@H]1CCCCO1)c1c([O-])cccc1F ZINC000884442685 625906570 /nfs/dbraw/zinc/90/65/70/625906570.db2.gz NFZSZWOMJGPJPQ-GFCCVEGCSA-N -1 1 253.273 2.799 20 30 CFEDMM [O-]c1cc(F)c(Cl)cc1C=NNC[C@@H]1CCSC1 ZINC000814935099 625928111 /nfs/dbraw/zinc/92/81/11/625928111.db2.gz HQCSWEHYTZXHNN-QMMMGPOBSA-N -1 1 288.775 2.861 20 30 CFEDMM C[C@H]1C[C@@H]1c1ccc(CN=Nc2ccc(C(=O)[O-])nc2)o1 ZINC000835007431 625954412 /nfs/dbraw/zinc/95/44/12/625954412.db2.gz TWZSDARZEWTVPV-CABZTGNLSA-N -1 1 285.303 2.942 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(F)nc2)c1 ZINC000186418717 626060516 /nfs/dbraw/zinc/06/05/16/626060516.db2.gz XZFMOXNCQQEYOX-GORDUTHDSA-N -1 1 273.263 2.831 20 30 CFEDMM N#Cc1ccc(O)c(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000091696014 626161008 /nfs/dbraw/zinc/16/10/08/626161008.db2.gz VNNHPJUOFBTJJL-UHFFFAOYSA-N -1 1 288.690 2.875 20 30 CFEDMM COc1c(O)cccc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000757467628 626552877 /nfs/dbraw/zinc/55/28/77/626552877.db2.gz HTTQYGZSRODZAB-ALCCZGGFSA-N -1 1 286.283 2.708 20 30 CFEDMM COC(=O)c1ccc(/C=C/C(=O)c2cc(C)ccc2[O-])[nH]1 ZINC000757475924 626553158 /nfs/dbraw/zinc/55/31/58/626553158.db2.gz NNJHCACBXLEXFM-VMPITWQZSA-N -1 1 285.299 2.711 20 30 CFEDMM Cc1noc(C)c1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757473671 626553260 /nfs/dbraw/zinc/55/32/60/626553260.db2.gz NULQPNRRZZKEEE-GQCTYLIASA-N -1 1 287.271 2.591 20 30 CFEDMM CC[C@@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000758950024 626619540 /nfs/dbraw/zinc/61/95/40/626619540.db2.gz XUDJZTXAZVWIBL-JTQLQIEISA-N -1 1 272.682 2.850 20 30 CFEDMM Cc1cc(C)c(C=NNc2ccccc2C(=O)[O-])[nH]1 ZINC000760240563 626722492 /nfs/dbraw/zinc/72/24/92/626722492.db2.gz GCFQEPHEBNLOPD-UHFFFAOYSA-N -1 1 257.293 2.776 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2c[nH]c3cccc(F)c23)n1 ZINC000763339509 626981536 /nfs/dbraw/zinc/98/15/36/626981536.db2.gz OVUKAEDSBPPWRS-UHFFFAOYSA-N -1 1 285.282 2.557 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cscn1 ZINC000767901306 627293471 /nfs/dbraw/zinc/29/34/71/627293471.db2.gz RJHRJLSPOMNAIW-UHFFFAOYSA-N -1 1 291.332 2.686 20 30 CFEDMM C#Cc1cccc(N(C)C(=O)c2ccc([O-])c(F)c2)c1 ZINC000767954018 627298349 /nfs/dbraw/zinc/29/83/49/627298349.db2.gz CVEYVQVHWSCDKU-UHFFFAOYSA-N -1 1 269.275 2.789 20 30 CFEDMM N#Cc1ccccc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049706 627399287 /nfs/dbraw/zinc/39/92/87/627399287.db2.gz RPQKCYGULXAHFE-UHFFFAOYSA-N -1 1 298.254 2.529 20 30 CFEDMM CC(C)=CCCC(C)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769817289 627477623 /nfs/dbraw/zinc/47/76/23/627477623.db2.gz LPAIRRIRFKWDEC-UHFFFAOYSA-N -1 1 288.355 2.603 20 30 CFEDMM C#Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)nc1 ZINC000771210375 627584467 /nfs/dbraw/zinc/58/44/67/627584467.db2.gz JOPIIYCHAVFBHC-UHFFFAOYSA-N -1 1 281.246 2.625 20 30 CFEDMM C#Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cn1 ZINC000771223041 627585730 /nfs/dbraw/zinc/58/57/30/627585730.db2.gz UMDQHJQQOVMBEQ-UHFFFAOYSA-N -1 1 281.246 2.625 20 30 CFEDMM CCCCCCCCCN(C)Cc1n[nH]c(=O)[n-]1 ZINC000774566420 627937915 /nfs/dbraw/zinc/93/79/15/627937915.db2.gz OFIGEHANJJLNJJ-UHFFFAOYSA-N -1 1 254.378 2.693 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(F)cc(Cl)c2)n1 ZINC000776722781 628170563 /nfs/dbraw/zinc/17/05/63/628170563.db2.gz WOMFQNARSZJUMP-UHFFFAOYSA-N -1 1 280.690 2.729 20 30 CFEDMM CC1(C)C[C@@H](NN=Cc2ccc([O-])c(Cl)c2)CCO1 ZINC000780250218 628445369 /nfs/dbraw/zinc/44/53/69/628445369.db2.gz NMDNVECWAUWWBU-NSHDSACASA-N -1 1 282.771 2.927 20 30 CFEDMM CC[C@H](C#N)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000781184622 628530345 /nfs/dbraw/zinc/53/03/45/628530345.db2.gz ZARVSKQRJZRKAT-SSDOTTSWSA-N -1 1 257.648 2.644 20 30 CFEDMM Cc1nc(F)ccc1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000782323820 628627794 /nfs/dbraw/zinc/62/77/94/628627794.db2.gz SFKBUWAMLADCDR-AWNIVKPZSA-N -1 1 271.247 2.851 20 30 CFEDMM Cc1ccc(NN=Cc2ccc(C(=O)[O-])cc2Cl)nn1 ZINC000783842797 628749024 /nfs/dbraw/zinc/74/90/24/628749024.db2.gz XXAWSLUTXJXDEW-UHFFFAOYSA-N -1 1 290.710 2.583 20 30 CFEDMM CC(C)(C)OC(=O)CCNN=Cc1ccc([O-])c(Cl)c1 ZINC000783866790 628751685 /nfs/dbraw/zinc/75/16/85/628751685.db2.gz VVHHFSVNIIJTQX-UHFFFAOYSA-N -1 1 298.770 2.701 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1C=NNCC(F)(F)F ZINC000790176886 629216269 /nfs/dbraw/zinc/21/62/69/629216269.db2.gz UQNLWJSYVWARNJ-UHFFFAOYSA-N -1 1 270.613 2.671 20 30 CFEDMM Cc1cccnc1NN=Cc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000790187466 629217444 /nfs/dbraw/zinc/21/74/44/629217444.db2.gz VXHKUFHEWCBLEH-GFCCVEGCSA-N -1 1 299.330 2.688 20 30 CFEDMM C=CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H](C)COC ZINC000852358319 634732765 /nfs/dbraw/zinc/73/27/65/634732765.db2.gz PYFOCNOBHNAWBI-LLVKDONJSA-N -1 1 295.354 2.757 20 30 CFEDMM Cc1[nH]c(C=NNc2cccc(Cl)n2)cc1C(=O)[O-] ZINC000793161912 629495065 /nfs/dbraw/zinc/49/50/65/629495065.db2.gz NAGWNQCUUJDJTQ-UHFFFAOYSA-N -1 1 278.699 2.516 20 30 CFEDMM Cn1cc2c(n1)CC/C(=C\c1ccc([O-])c(Cl)c1)C2=O ZINC000794961006 629709631 /nfs/dbraw/zinc/70/96/31/629709631.db2.gz BCBRVPOBBFQFCF-UXBLZVDNSA-N -1 1 288.734 2.992 20 30 CFEDMM CCCCCCCOC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796347698 629907305 /nfs/dbraw/zinc/90/73/05/629907305.db2.gz XYDKKKVVHWHIHP-UHFFFAOYSA-N -1 1 267.325 2.929 20 30 CFEDMM C=C[C@@H](OC(=O)c1ccc(C(=O)OC)[n-]1)C(C)(C)C ZINC000797236143 630045824 /nfs/dbraw/zinc/04/58/24/630045824.db2.gz QLMGPAKHQGPDKR-LLVKDONJSA-N -1 1 265.309 2.559 20 30 CFEDMM CCCc1occc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000798817959 630241531 /nfs/dbraw/zinc/24/15/31/630241531.db2.gz JQYJYHUJJIGHPQ-LBPRGKRZSA-N -1 1 297.314 2.588 20 30 CFEDMM C=CCCOC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801359108 630442759 /nfs/dbraw/zinc/44/27/59/630442759.db2.gz GIGKXXNVKIRJAC-UHFFFAOYSA-N -1 1 292.722 2.964 20 30 CFEDMM C=CCO[N-]C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000837047858 630945223 /nfs/dbraw/zinc/94/52/23/630945223.db2.gz MCIVKCIKUUXVPG-LLVKDONJSA-N -1 1 290.146 2.651 20 30 CFEDMM CSCCCCCCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000809758044 631283228 /nfs/dbraw/zinc/28/32/28/631283228.db2.gz AWXHBNOPQKBFHL-UHFFFAOYSA-N -1 1 292.404 2.917 20 30 CFEDMM CC(=NNC1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841629848 631436966 /nfs/dbraw/zinc/43/69/66/631436966.db2.gz WVHUUTOQIBMZTI-UHFFFAOYSA-N -1 1 268.744 2.538 20 30 CFEDMM CC(NNc1ccc(C(=O)[O-])c(F)c1)=C1CC1(F)F ZINC000841641110 631441068 /nfs/dbraw/zinc/44/10/68/631441068.db2.gz NGNIAULBSFCNRI-VIFPVBQESA-N -1 1 272.226 2.967 20 30 CFEDMM CC1(C)C[C@]1(C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000813300335 631896733 /nfs/dbraw/zinc/89/67/33/631896733.db2.gz CEJDPNMYAWLCGC-CYBMUJFWSA-N -1 1 282.265 2.726 20 30 CFEDMM CC(C)Cn1nccc1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000843269598 631913713 /nfs/dbraw/zinc/91/37/13/631913713.db2.gz RPHWOTNZXCDULV-CHHVJCJISA-N -1 1 284.315 2.861 20 30 CFEDMM Cc1ccc(N=NC(C)c2cc(C(=O)[O-])cs2)nc1 ZINC000814832221 632134454 /nfs/dbraw/zinc/13/44/54/632134454.db2.gz KDMLEXRWSKEDRE-UHFFFAOYSA-N -1 1 275.333 2.986 20 30 CFEDMM CC(=NNCC(F)F)c1ccc([O-])c(Br)c1 ZINC000844585174 632254522 /nfs/dbraw/zinc/25/45/22/632254522.db2.gz KZXPAXBSYWVYSN-UHFFFAOYSA-N -1 1 293.111 2.733 20 30 CFEDMM CC[C@@H](C)CON=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844599035 632260217 /nfs/dbraw/zinc/26/02/17/632260217.db2.gz ZSVDOUVDIXYAPO-SNVBAGLBSA-N -1 1 273.336 2.762 20 30 CFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000105590022 632275404 /nfs/dbraw/zinc/27/54/04/632275404.db2.gz ZOUKFYZLYKPSER-UHFFFAOYSA-N -1 1 289.331 2.916 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2cccnc2)c1 ZINC000156692081 650066830 /nfs/dbraw/zinc/06/68/30/650066830.db2.gz KYLILPPQRKLTRL-GQCTYLIASA-N -1 1 255.273 2.692 20 30 CFEDMM C=CCN(CC(=O)OCC)Cc1cccc([O-])c1Cl ZINC000816491212 632470249 /nfs/dbraw/zinc/47/02/49/632470249.db2.gz DIYNQVMPRKTVKR-UHFFFAOYSA-N -1 1 283.755 2.597 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC2CCCCc3ccc(N)cc32)n1 ZINC000817321345 632601360 /nfs/dbraw/zinc/60/13/60/632601360.db2.gz HRBLTJSNBNKHGG-UHFFFAOYSA-N -1 1 297.362 2.615 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCCCc3ccc(N)cc32)n1 ZINC000817321345 632601364 /nfs/dbraw/zinc/60/13/64/632601364.db2.gz HRBLTJSNBNKHGG-UHFFFAOYSA-N -1 1 297.362 2.615 20 30 CFEDMM C=C[C@@H](C)ONC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000846541779 632731241 /nfs/dbraw/zinc/73/12/41/632731241.db2.gz MUOLKPYBDKKWPQ-MRVPVSSYSA-N -1 1 285.727 2.680 20 30 CFEDMM N#CCCCCC(=O)Nc1nc(Br)ccc1[O-] ZINC000847880980 633134962 /nfs/dbraw/zinc/13/49/62/633134962.db2.gz XBIUSYKXOLABKT-UHFFFAOYSA-N -1 1 298.140 2.572 20 30 CFEDMM C[C@@H]1C[N@@H+](CC/N=C/c2cc(Cl)ccc2O)[C@H](C)CO1 ZINC000849170433 633577923 /nfs/dbraw/zinc/57/79/23/633577923.db2.gz PAIYDRHWCLETAK-HVWABSDWSA-N -1 1 296.798 2.574 20 30 CFEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1cn(C2CCC2)nn1 ZINC000849245538 633589106 /nfs/dbraw/zinc/58/91/06/633589106.db2.gz KBJMIWFGNVLHII-XYOKQWHBSA-N -1 1 295.342 2.921 20 30 CFEDMM CCOCCON=Cc1ccc(Br)cc1[O-] ZINC000853335030 634973686 /nfs/dbraw/zinc/97/36/86/634973686.db2.gz YNFMBYWOZWLOHY-UHFFFAOYSA-N -1 1 288.141 2.542 20 30 CFEDMM CCCCCCCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000862356099 637330006 /nfs/dbraw/zinc/33/00/06/637330006.db2.gz BZXFFAVLLXBYAH-UHFFFAOYSA-N -1 1 260.337 2.964 20 30 CFEDMM C#CC[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000862570356 637437043 /nfs/dbraw/zinc/43/70/43/637437043.db2.gz IDLBXPAIZZSORQ-SNVBAGLBSA-N -1 1 263.724 2.531 20 30 CFEDMM CCCn1cc(/C=C\C(=O)c2c(C)cc(C)cc2[O-])nn1 ZINC000865223704 638227419 /nfs/dbraw/zinc/22/74/19/638227419.db2.gz KWYMPQUJXRNDBO-WAYWQWQTSA-N -1 1 285.347 2.907 20 30 CFEDMM Cc1nnc([C@H](C)N[C@H](C)c2cccc(C#N)c2[O-])s1 ZINC000866338746 638798952 /nfs/dbraw/zinc/79/89/52/638798952.db2.gz XACIUONWRMLBKL-BDAKNGLRSA-N -1 1 288.376 2.836 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2c(Cl)cnn2C)c1 ZINC000122697834 639341344 /nfs/dbraw/zinc/34/13/44/639341344.db2.gz KBEBAINEPXVXMB-GQCTYLIASA-N -1 1 292.722 2.684 20 30 CFEDMM CN(C(=O)c1c([O-])cccc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000870670710 639761472 /nfs/dbraw/zinc/76/14/72/639761472.db2.gz AJOVCXZSOOABAR-GXSJLCMTSA-N -1 1 278.739 2.810 20 30 CFEDMM CC(C)(CC(=O)[N-]Oc1cccc(C#N)c1)C(F)(F)F ZINC000870690291 639772800 /nfs/dbraw/zinc/77/28/00/639772800.db2.gz MLSRLNBSOCSAGA-UHFFFAOYSA-N -1 1 286.253 2.947 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@H]2CC3CCC2CC3)c1 ZINC000870690544 639773580 /nfs/dbraw/zinc/77/35/80/639773580.db2.gz QKPQTBGILLVZSO-HGMXIMQMSA-N -1 1 270.332 2.795 20 30 CFEDMM C=C(Cl)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000192708430 650587217 /nfs/dbraw/zinc/58/72/17/650587217.db2.gz MKXFUKLAMJVPBF-UHFFFAOYSA-N -1 1 286.784 2.909 20 30 CFEDMM O=C(/C=C\c1cn(C2CCC2)nn1)c1cccc([O-])c1F ZINC000871672026 641394813 /nfs/dbraw/zinc/39/48/13/641394813.db2.gz LYBIJWODEULBHB-FPLPWBNLSA-N -1 1 287.294 2.744 20 30 CFEDMM Cc1[n-]n(-c2ccc(C#N)c(C(F)(F)F)c2)c(=O)c1F ZINC000871949483 641524506 /nfs/dbraw/zinc/52/45/06/641524506.db2.gz BRTHUEHKYBYIGZ-JTQLQIEISA-N -1 1 285.200 2.638 20 30 CFEDMM C#CCn1[n-]c(-c2ccc(F)cc2Cl)c(CC)c1=O ZINC000871960480 641532526 /nfs/dbraw/zinc/53/25/26/641532526.db2.gz AFDNGSLEULIINQ-JTQLQIEISA-N -1 1 278.714 2.685 20 30 CFEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NNC2CC2)cs1 ZINC000872365341 641771449 /nfs/dbraw/zinc/77/14/49/641771449.db2.gz MAHHSQWLFLNBSF-UHFFFAOYSA-N -1 1 282.369 2.576 20 30 CFEDMM N#CCCN(Cc1ccc(F)c(F)c1[O-])CC1CC1 ZINC000876691120 642975730 /nfs/dbraw/zinc/97/57/30/642975730.db2.gz BEPFUPIZWOONCV-UHFFFAOYSA-N -1 1 266.291 2.796 20 30 CFEDMM C[C@H](NC1(c2ncccn2)CCC1)c1cccc(C#N)c1[O-] ZINC000883311077 645731924 /nfs/dbraw/zinc/73/19/24/645731924.db2.gz MYOMUWVIASNJPO-LBPRGKRZSA-N -1 1 294.358 2.784 20 30 CFEDMM CC(C)C1N=NC(=S)N1N=Cc1cc(F)cc(F)c1[O-] ZINC000884390549 646336239 /nfs/dbraw/zinc/33/62/39/646336239.db2.gz YWAMYICJRMKQII-UHFFFAOYSA-N -1 1 298.318 2.556 20 30 CFEDMM [O-]c1c(F)cc(F)cc1C=NNCCC(F)(F)F ZINC000884458550 646368851 /nfs/dbraw/zinc/36/88/51/646368851.db2.gz HSWATUSSMAXOQZ-UHFFFAOYSA-N -1 1 268.185 2.546 20 30 CFEDMM C#CCC1(NC(=O)c2c([O-])cccc2Cl)CCC1 ZINC000886794456 647140582 /nfs/dbraw/zinc/14/05/82/647140582.db2.gz STQUFTNRUSYSGK-UHFFFAOYSA-N -1 1 263.724 2.721 20 30 CFEDMM C#CC[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000889645318 647630734 /nfs/dbraw/zinc/63/07/34/647630734.db2.gz QAXUROXJVBUXHH-LLVKDONJSA-N -1 1 292.766 2.600 20 30 CFEDMM C[C@H](CN(CC#N)C1CCCC1)C(=O)c1ccc([O-])cc1 ZINC000929685010 649095908 /nfs/dbraw/zinc/09/59/08/649095908.db2.gz KCMOZJADJWFKBE-CYBMUJFWSA-N -1 1 286.375 2.979 20 30 CFEDMM C#C[C@H](CCC)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932051205 649529365 /nfs/dbraw/zinc/52/93/65/649529365.db2.gz CZVODAQLPPGCQR-GFCCVEGCSA-N -1 1 298.346 2.501 20 30 CFEDMM CC#Cc1cncc(Nc2ccnc(Cl)c2[O-])c1 ZINC001211056053 770422636 /nfs/dbraw/zinc/42/26/36/770422636.db2.gz JJHDBKZRPSAVKP-UHFFFAOYSA-N -1 1 259.696 2.951 20 30 CFEDMM CCN(C)c1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cn1 ZINC000588578709 775130748 /nfs/dbraw/zinc/13/07/48/775130748.db2.gz HZPPBZUSFRWNOJ-DAXSKMNVSA-N -1 1 298.342 2.845 20 30 CFEDMM C=C[C@H](OCCCC[P@@](=O)([O-])O)c1ccccc1 ZINC001225018831 775336072 /nfs/dbraw/zinc/33/60/72/775336072.db2.gz IUZLMGWWQMWAOA-ZDUSSCGKSA-N -1 1 270.265 2.888 20 30 CFEDMM Cc1c([C@@H](C)Oc2cccc(/C=N/[O-])c2)cnn1C ZINC001226110875 775702075 /nfs/dbraw/zinc/70/20/75/775702075.db2.gz XZBFSMVCOWBORZ-FNQVVVRFSA-N -1 1 259.309 2.677 20 30 CFEDMM [O-]/N=C/c1cccc(OC[C@@H]2CC[C@]3(CCCCO3)O2)c1 ZINC001226115130 775703438 /nfs/dbraw/zinc/70/34/38/775703438.db2.gz WZEWKNJXQZRGPU-DWXXHQTDSA-N -1 1 291.347 2.949 20 30 CFEDMM C=CCC[C@@H](CC)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226240184 775749125 /nfs/dbraw/zinc/74/91/25/775749125.db2.gz JJBRVVKDIVOXGU-SNVBAGLBSA-N -1 1 250.298 2.508 20 30 CFEDMM COc1cnc(=S)[n-]c1O[C@@H](C#N)c1cccc(F)c1 ZINC001226247622 775753795 /nfs/dbraw/zinc/75/37/95/775753795.db2.gz YOHBNRLOUFZQPW-JTQLQIEISA-N -1 1 291.307 2.557 20 30 CFEDMM C[C@H](Oc1nccc(/C=N/[O-])n1)c1ccc(F)cc1 ZINC001226253829 775755706 /nfs/dbraw/zinc/75/57/06/775755706.db2.gz MKLHMHZMERMDTA-VKPPLCHCSA-N -1 1 261.256 2.564 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1C=CC(=O)C1 ZINC001227122102 776107206 /nfs/dbraw/zinc/10/72/06/776107206.db2.gz IVTZQCMVKLMILL-GFCCVEGCSA-N -1 1 272.300 2.600 20 30 CFEDMM C=CC[C@@H](Oc1nc(=O)[nH]c(=O)[n-]1)c1ccc(Cl)cc1 ZINC001227571277 776232484 /nfs/dbraw/zinc/23/24/84/776232484.db2.gz RLJPTEJUCHNBLQ-SNVBAGLBSA-N -1 1 293.710 2.632 20 30 CFEDMM N#Cc1c([O-])ccc(OC2CCC(C#N)CC2)c1C#N ZINC001227619285 776246895 /nfs/dbraw/zinc/24/68/95/776246895.db2.gz QOKAPQLOESOYJZ-UHFFFAOYSA-N -1 1 267.288 2.597 20 30 CFEDMM N#Cc1ccc([O-])cc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001228006219 776359596 /nfs/dbraw/zinc/35/95/96/776359596.db2.gz YIUMOXBRHOMYIY-HNNXBMFYSA-N -1 1 296.282 2.718 20 30 CFEDMM CCOC(=O)[C@@H](Oc1cc([O-])ccc1C#N)c1ccccc1 ZINC001228005808 776360282 /nfs/dbraw/zinc/36/02/82/776360282.db2.gz SJXLLPHXIRYLRE-INIZCTEOSA-N -1 1 297.310 2.947 20 30 CFEDMM COc1ccc([C@@H](C)Oc2cc([O-])ccc2C#N)cn1 ZINC001228007610 776360517 /nfs/dbraw/zinc/36/05/17/776360517.db2.gz SNSSAPNPOANQEC-SNVBAGLBSA-N -1 1 270.288 2.807 20 30 CFEDMM C#C[C@@H](Oc1cc([O-])cc(O)c1C(=O)CC)c1ccncc1 ZINC001228553293 776519323 /nfs/dbraw/zinc/51/93/23/776519323.db2.gz AHGFZGJGRQKBNH-OAHLLOKOSA-N -1 1 297.310 2.839 20 30 CFEDMM C=CC[C@@H](Oc1cnnc(=S)[n-]1)c1ccccc1 ZINC001228642371 776551087 /nfs/dbraw/zinc/55/10/87/776551087.db2.gz OVMRBEXPYAQOLP-LLVKDONJSA-N -1 1 259.334 2.857 20 30 CFEDMM C=C[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228862140 776636885 /nfs/dbraw/zinc/63/68/85/776636885.db2.gz LAXQUIFMYFCFAO-YFKPBYRVSA-N -1 1 278.186 2.668 20 30 CFEDMM CCOC(=O)C1CC(Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229737401 776883329 /nfs/dbraw/zinc/88/33/29/776883329.db2.gz XOBMUYHLIBMXTG-MHWRWJLKSA-N -1 1 277.320 2.605 20 30 CFEDMM C#C[C@@H]1CCC[C@@H]1Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229754028 776888673 /nfs/dbraw/zinc/88/86/73/776888673.db2.gz KCIMQUJXVXADNR-MFKMUULPSA-N -1 1 261.277 2.790 20 30 CFEDMM O=C1C=C[C@@H](Oc2nc3c(cc(Cl)nc3Cl)[n-]2)C1 ZINC001231050547 777125299 /nfs/dbraw/zinc/12/52/99/777125299.db2.gz UGYYONLJHSGBLU-ZCFIWIBFSA-N -1 1 284.102 2.541 20 30 CFEDMM O=C1C=C[C@@H](Oc2nc3cc(Cl)nc(Cl)c3[n-]2)C1 ZINC001231050547 777125303 /nfs/dbraw/zinc/12/53/03/777125303.db2.gz UGYYONLJHSGBLU-ZCFIWIBFSA-N -1 1 284.102 2.541 20 30 CFEDMM N#C[C@@H]1CC[C@@H](Oc2cccnc2-c2ncccc2[O-])C1 ZINC001231199413 777170169 /nfs/dbraw/zinc/17/01/69/777170169.db2.gz CHAXDUHLHFJWRY-VXGBXAGGSA-N -1 1 281.315 2.920 20 30 CFEDMM C=C(C)C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)C(=C)C ZINC001225762704 777261710 /nfs/dbraw/zinc/26/17/10/777261710.db2.gz PRXYODLANANVHJ-VIFPVBQESA-N -1 1 252.339 2.761 20 30 CFEDMM N#C[C@H]1CCCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231734034 777318508 /nfs/dbraw/zinc/31/85/08/777318508.db2.gz ONWVTFPRURVZQT-LLVKDONJSA-N -1 1 250.729 2.781 20 30 CFEDMM CCCCN(CC#N)Cc1cc(Cl)c([O-])cc1O ZINC001232262871 777497788 /nfs/dbraw/zinc/49/77/88/777497788.db2.gz UMNJRYDPGWANFI-UHFFFAOYSA-N -1 1 268.744 2.877 20 30 CFEDMM CCCCN(CC#N)Cc1cc([O-])c(F)c(F)c1 ZINC001232975457 777749104 /nfs/dbraw/zinc/74/91/04/777749104.db2.gz KCHNVFHCCMOPCN-UHFFFAOYSA-N -1 1 254.280 2.796 20 30 CFEDMM N#Cc1ccc(CN2CCC[C@@H](F)C(F)(F)C2)c([O-])c1 ZINC001233383716 777927201 /nfs/dbraw/zinc/92/72/01/777927201.db2.gz SXPIACLCDRYJFQ-CYBMUJFWSA-N -1 1 284.281 2.833 20 30 CFEDMM Cc1nc([C@H]2CCCCN2Cc2ccc(C#N)cc2[O-])no1 ZINC001233386338 777927423 /nfs/dbraw/zinc/92/74/23/777927423.db2.gz PSSMJUOZXLLWBR-CQSZACIVSA-N -1 1 298.346 2.683 20 30 CFEDMM CC1=C(Oc2c(Cl)ccc([O-])c2F)C(=O)[C@@H](C)O1 ZINC001234264299 778196766 /nfs/dbraw/zinc/19/67/66/778196766.db2.gz PXNHFLFIZXVPNM-RXMQYKEDSA-N -1 1 272.659 2.783 20 30 CFEDMM CCCCCCCC[C@@H](C)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234471830 778232024 /nfs/dbraw/zinc/23/20/24/778232024.db2.gz IQHJJFRDEOIGBB-LLVKDONJSA-N -1 1 295.383 2.799 20 30 CFEDMM CCOC(=O)[C@H]1CCC[C@H]1Oc1ccccc1C=N[O-] ZINC001234822110 778303461 /nfs/dbraw/zinc/30/34/61/778303461.db2.gz KRCDYULKHGSFSR-GXTWGEPZSA-N -1 1 277.320 2.605 20 30 CFEDMM [O-]N=Cc1ccccc1OC1CN(Cc2ccccc2)C1 ZINC001234823471 778303491 /nfs/dbraw/zinc/30/34/91/778303491.db2.gz VHYHNSXTAXYAOF-UHFFFAOYSA-N -1 1 282.343 2.758 20 30 CFEDMM CN1CCOc2cc(-c3cc(/C=N/[O-])ccc3F)cnc21 ZINC001239613498 779661572 /nfs/dbraw/zinc/66/15/72/779661572.db2.gz BPDOZTRBIVNWTF-QGMBQPNBSA-N -1 1 287.294 2.524 20 30 CFEDMM N#Cc1ccc(NC(=O)CCC(F)(F)F)c([O-])c1 ZINC001143148518 780533845 /nfs/dbraw/zinc/53/38/45/780533845.db2.gz PQLFHVLPILBSFY-UHFFFAOYSA-N -1 1 258.199 2.545 20 30 CFEDMM COC(=O)c1ccc(-c2cc([O-])cc(F)c2)cc1C#N ZINC001241267603 780745159 /nfs/dbraw/zinc/74/51/59/780745159.db2.gz ZERHBRSQVPFYAD-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM C=CCNC(=O)c1cccnc1-c1c(F)ccc([O-])c1F ZINC001241290908 780759350 /nfs/dbraw/zinc/75/93/50/780759350.db2.gz WXYPHMKORDVAPL-UHFFFAOYSA-N -1 1 290.269 2.648 20 30 CFEDMM C#C[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(C)C ZINC001128796175 780849308 /nfs/dbraw/zinc/84/93/08/780849308.db2.gz WSZRZZAFAXTAMI-LBPRGKRZSA-N -1 1 287.256 2.831 20 30 CFEDMM COC(=O)c1cc(C#N)cc(-c2ccc(F)cc2[O-])c1 ZINC001242218617 781333327 /nfs/dbraw/zinc/33/33/27/781333327.db2.gz HWJAICSAEBQMOT-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM C[C@@H]1CCc2nnc(-c3ccc([O-])c(C#N)c3)cc2C1 ZINC001242563678 781602547 /nfs/dbraw/zinc/60/25/47/781602547.db2.gz VAUVODQXZSVSJE-SNVBAGLBSA-N -1 1 265.316 2.846 20 30 CFEDMM N#Cc1cc(-c2ccc(C(N)=O)c3[nH]ccc32)ccc1[O-] ZINC001242565522 781604593 /nfs/dbraw/zinc/60/45/93/781604593.db2.gz ISCOGQLICIHYAQ-UHFFFAOYSA-N -1 1 277.283 2.511 20 30 CFEDMM COc1cc(-c2ccc([O-])c(C#N)c2)ccc1NC(C)=O ZINC001242565310 781604736 /nfs/dbraw/zinc/60/47/36/781604736.db2.gz WITGCPLDTQJDGL-UHFFFAOYSA-N -1 1 282.299 2.898 20 30 CFEDMM COC(=O)c1ccc(-c2ccc([O-])c(C#N)c2)cc1CC#N ZINC001242565683 781605142 /nfs/dbraw/zinc/60/51/42/781605142.db2.gz QITMJSZMQXCJHG-UHFFFAOYSA-N -1 1 292.294 2.784 20 30 CFEDMM N#Cc1cc(-c2cc3c(c(F)c2)C(=O)OC3)ccc1[O-] ZINC001242566120 781605360 /nfs/dbraw/zinc/60/53/60/781605360.db2.gz JSRKZVYGFXJGMW-UHFFFAOYSA-N -1 1 269.231 2.740 20 30 CFEDMM CC1(c2ccc(-c3ccc([O-])c(C#N)c3)cn2)OCCO1 ZINC001242566361 781606567 /nfs/dbraw/zinc/60/65/67/781606567.db2.gz VPVZSBFMYKCXNQ-UHFFFAOYSA-N -1 1 282.299 2.545 20 30 CFEDMM Cn1c2cc(-c3ccc([O-])c(C#N)c3)ccc2ccc1=O ZINC001242566371 781606669 /nfs/dbraw/zinc/60/66/69/781606669.db2.gz VVMVGMJFADJAJH-UHFFFAOYSA-N -1 1 276.295 2.783 20 30 CFEDMM CC(C)n1cccc(-c2ccc([O-])c(C#N)c2)c1=O ZINC001242566598 781606684 /nfs/dbraw/zinc/60/66/84/781606684.db2.gz HBASTNORDQWPLR-UHFFFAOYSA-N -1 1 254.289 2.673 20 30 CFEDMM N#Cc1cc(-c2ccc(C(N)=S)cc2)ccc1[O-] ZINC001242567219 781607575 /nfs/dbraw/zinc/60/75/75/781607575.db2.gz SEHXXDZYPPSHKB-UHFFFAOYSA-N -1 1 254.314 2.565 20 30 CFEDMM COCc1cncc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001242955746 781874049 /nfs/dbraw/zinc/87/40/49/781874049.db2.gz WGVOEZWWAPRSBJ-REZTVBANSA-N -1 1 260.268 2.842 20 30 CFEDMM N#CC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000397799885 348564185 /nfs/dbraw/zinc/56/41/85/348564185.db2.gz FQSBPAZOLXBALA-SNVBAGLBSA-N -1 1 278.739 2.811 20 30 CFEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c2n[nH]cc21 ZINC000589174686 348816007 /nfs/dbraw/zinc/81/60/07/348816007.db2.gz PDYXDSGXCKKVMS-UHFFFAOYSA-N -1 1 292.298 2.701 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3ccccc3CC2)c1 ZINC000589180920 348816999 /nfs/dbraw/zinc/81/69/99/348816999.db2.gz FLXHTRGBNLMPQB-UHFFFAOYSA-N -1 1 292.338 2.505 20 30 CFEDMM CC[C@H]1C[C@H](C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589189096 348817979 /nfs/dbraw/zinc/81/79/79/348817979.db2.gz ZUFVXEGVGRZBTB-GWCFXTLKSA-N -1 1 258.321 2.524 20 30 CFEDMM CCCc1csc(NC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589196836 348819317 /nfs/dbraw/zinc/81/93/17/348819317.db2.gz ITXKTFSNNWIXBY-UHFFFAOYSA-N -1 1 287.344 2.925 20 30 CFEDMM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1(C)C ZINC000589204913 348819964 /nfs/dbraw/zinc/81/99/64/348819964.db2.gz OHVIJJKBZKILQY-LLVKDONJSA-N -1 1 272.348 2.772 20 30 CFEDMM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C[C@@H]1C ZINC000589203659 348820020 /nfs/dbraw/zinc/82/00/20/348820020.db2.gz OFQLDDXQHULFMC-UHIISALHSA-N -1 1 272.348 2.818 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC(C3CCCCC3)C2)c1 ZINC000590524931 348908014 /nfs/dbraw/zinc/90/80/14/348908014.db2.gz MFSDKLNPYZTMHU-UHFFFAOYSA-N -1 1 284.359 2.916 20 30 CFEDMM C[C@@H](CC(C)(C)C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000590892046 348962962 /nfs/dbraw/zinc/96/29/62/348962962.db2.gz HDBBQQZPOFVJQR-JTQLQIEISA-N -1 1 260.337 2.818 20 30 CFEDMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000593786637 349327606 /nfs/dbraw/zinc/32/76/06/349327606.db2.gz OKIMZIFQQSVCIQ-QWHCGFSZSA-N -1 1 272.348 2.818 20 30 CFEDMM C[C@@H](C#N)N(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000598126406 350202703 /nfs/dbraw/zinc/20/27/03/350202703.db2.gz VGWOEHMHCAFUEZ-QMMMGPOBSA-N -1 1 264.712 2.562 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](C3CCC3)C2)c1 ZINC000598402172 350256896 /nfs/dbraw/zinc/25/68/96/350256896.db2.gz ZKDVAOAGQBNCFC-AWEZNQCLSA-N -1 1 284.359 2.916 20 30 CFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)c([O-])c1 ZINC000598421250 350266653 /nfs/dbraw/zinc/26/66/53/350266653.db2.gz FFFFRVRCIFQDGK-OKILXGFUSA-N -1 1 268.316 2.587 20 30 CFEDMM CC(C)N(CC1CC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000600838549 350618712 /nfs/dbraw/zinc/61/87/12/350618712.db2.gz CTJGXFWUWIUXKP-UHFFFAOYSA-N -1 1 258.321 2.524 20 30 CFEDMM CC(C)(C)[C@H](C#N)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601284499 350717014 /nfs/dbraw/zinc/71/70/14/350717014.db2.gz IJPRUEZADWLRAZ-LBPRGKRZSA-N -1 1 280.755 2.643 20 30 CFEDMM C[C@H](CC1CCC1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000601871380 350795356 /nfs/dbraw/zinc/79/53/56/350795356.db2.gz SRJGFZGAVJXGKC-SNVBAGLBSA-N -1 1 258.321 2.572 20 30 CFEDMM N#Cc1cccc(Cn2[n-]c3c(c2=O)CCCCC3)c1 ZINC000601944045 350812601 /nfs/dbraw/zinc/81/26/01/350812601.db2.gz IHODGZQMRCCPPD-CQSZACIVSA-N -1 1 267.332 2.837 20 30 CFEDMM N#CC1(CNC(=O)N=c2[n-]sc3ccccc32)CCC1 ZINC000603051917 351096120 /nfs/dbraw/zinc/09/61/20/351096120.db2.gz NAKDIUCXPPTSIO-UHFFFAOYSA-N -1 1 286.360 2.534 20 30 CFEDMM C[C@@]1(C#N)CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000612364941 351808215 /nfs/dbraw/zinc/80/82/15/351808215.db2.gz RAWLDGGTLXHVOE-AWEZNQCLSA-N -1 1 278.739 2.811 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1ccc(C(F)(F)F)cn1 ZINC000291898995 198099358 /nfs/dbraw/zinc/09/93/58/198099358.db2.gz QBNDDPXMHJQUPK-UHFFFAOYSA-N -1 1 294.298 2.808 20 30 CFEDMM C=CCN(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000613239654 351922298 /nfs/dbraw/zinc/92/22/98/351922298.db2.gz VXDLOQIVWJZLBE-UHFFFAOYSA-N -1 1 268.316 2.731 20 30 CFEDMM CC(C)(CC(F)(F)F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614897297 352130459 /nfs/dbraw/zinc/13/04/59/352130459.db2.gz DCMNOWUXZZPLEH-UHFFFAOYSA-N -1 1 286.253 2.725 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000614357220 352084469 /nfs/dbraw/zinc/08/44/69/352084469.db2.gz LWPRDXNCHLIAPP-UHFFFAOYSA-N -1 1 274.226 2.794 20 30 CFEDMM CCN(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614358713 352084533 /nfs/dbraw/zinc/08/45/33/352084533.db2.gz XFZUADYTSKHLCV-UHFFFAOYSA-N -1 1 280.327 2.926 20 30 CFEDMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000615478507 352198387 /nfs/dbraw/zinc/19/83/87/352198387.db2.gz AOJOIIWDJXUXMS-SJLPKXTDSA-N -1 1 292.338 2.724 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@H]2c2cccc(F)c2)cc1[O-] ZINC000615429100 352192488 /nfs/dbraw/zinc/19/24/88/352192488.db2.gz KSLZSNIOOLWBIQ-HNNXBMFYSA-N -1 1 296.301 2.990 20 30 CFEDMM CC1(C)CCCN(C(=O)c2ccc([O-])c(F)c2)[C@H]1C#N ZINC000618037525 352703192 /nfs/dbraw/zinc/70/31/92/352703192.db2.gz VINBQVQTVLTTOA-ZDUSSCGKSA-N -1 1 276.311 2.686 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000619557042 353036355 /nfs/dbraw/zinc/03/63/55/353036355.db2.gz DLNSNFSCSWINQR-KOMQPUFPSA-N -1 1 292.338 2.940 20 30 CFEDMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461149 353027154 /nfs/dbraw/zinc/02/71/54/353027154.db2.gz HRHKSRHMSPUAKX-UHFFFAOYSA-N -1 1 286.356 2.862 20 30 CFEDMM Cc1oc(C#N)cc1C(=O)Nc1c([O-])cccc1F ZINC000619552535 353035765 /nfs/dbraw/zinc/03/57/65/353035765.db2.gz FJBFETFZOARNAV-UHFFFAOYSA-N -1 1 260.224 2.557 20 30 CFEDMM C=CC[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000625705647 354092449 /nfs/dbraw/zinc/09/24/49/354092449.db2.gz WWOZSGYFJDUXJS-JTQLQIEISA-N -1 1 275.377 2.795 20 30 CFEDMM C=CCCC(C)(C)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000631484559 355456320 /nfs/dbraw/zinc/45/63/20/355456320.db2.gz POXGAMTZOKZCNM-UHFFFAOYSA-N -1 1 299.374 2.645 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCCC3(CCC3)C2)cc1[O-] ZINC000352156684 283123237 /nfs/dbraw/zinc/12/32/37/283123237.db2.gz MXOPKPKSQRXBIH-UHFFFAOYSA-N -1 1 270.332 2.670 20 30 CFEDMM N#Cc1ccc(C(=O)NC2(Cc3ccccc3)CC2)cc1[O-] ZINC000189222074 283128579 /nfs/dbraw/zinc/12/85/79/283128579.db2.gz GPAYSKZOCSQMFC-UHFFFAOYSA-N -1 1 292.338 2.769 20 30 CFEDMM C=CCCC(C)(C)CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000633965294 356045822 /nfs/dbraw/zinc/04/58/22/356045822.db2.gz NTGCFVULROCCLB-UHFFFAOYSA-N -1 1 275.348 2.684 20 30 CFEDMM CS[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)C(C)(C)C ZINC000443120864 241040725 /nfs/dbraw/zinc/04/07/25/241040725.db2.gz PZDTVHXGPQIXRC-CYBMUJFWSA-N -1 1 292.404 2.771 20 30 CFEDMM C=CCN(CC=C)C(=O)c1cc(Cl)ccc1[O-] ZINC000019836646 372193951 /nfs/dbraw/zinc/19/39/51/372193951.db2.gz XMRLEMOZSBRMOW-UHFFFAOYSA-N -1 1 251.713 2.860 20 30 CFEDMM O=C(Cc1ccsc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026254439 372316006 /nfs/dbraw/zinc/31/60/06/372316006.db2.gz UTOGYJNYLSTHRI-UHFFFAOYSA-N -1 1 276.243 2.716 20 30 CFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000050212740 373363722 /nfs/dbraw/zinc/36/37/22/373363722.db2.gz QRTXOZGGDBHGTP-UHFFFAOYSA-N -1 1 297.339 2.539 20 30 CFEDMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000091514467 375054055 /nfs/dbraw/zinc/05/40/55/375054055.db2.gz MVFDRMSYNMAOCG-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1 ZINC000112850740 375970402 /nfs/dbraw/zinc/97/04/02/375970402.db2.gz DRVGACOWZKBYKU-UHFFFAOYSA-N -1 1 297.339 2.840 20 30 CFEDMM Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)n1 ZINC000122890967 376939736 /nfs/dbraw/zinc/93/97/36/376939736.db2.gz FWLKEXOTVHCMDQ-GFCCVEGCSA-N -1 1 290.326 2.767 20 30 CFEDMM Cc1cscc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000335859781 380009026 /nfs/dbraw/zinc/00/90/26/380009026.db2.gz QRVUKIBMJSWPCX-UHFFFAOYSA-N -1 1 272.329 2.564 20 30 CFEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180699222 380691066 /nfs/dbraw/zinc/69/10/66/380691066.db2.gz CNEPFAGSGXXXJS-QMMMGPOBSA-N -1 1 286.253 2.785 20 30 CFEDMM CC(C)Cn1cc(/C=C2/Oc3cc([O-])ccc3C2=O)cn1 ZINC000180722616 380693383 /nfs/dbraw/zinc/69/33/83/380693383.db2.gz AIKSYLLTNSGPPI-PJQLUOCWSA-N -1 1 284.315 2.861 20 30 CFEDMM CC(C)Cn1cc(/C=C/C(=O)c2cc(O)ccc2[O-])cn1 ZINC000180741982 380695115 /nfs/dbraw/zinc/69/51/15/380695115.db2.gz XZOQJHBFXMAMGT-HWKANZROSA-N -1 1 286.331 2.846 20 30 CFEDMM N#Cc1ccc(Cl)c(C(=O)Nc2ncccc2[O-])c1 ZINC000354608271 381364274 /nfs/dbraw/zinc/36/42/74/381364274.db2.gz BHIAZLNPYYGUPL-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM N#Cc1ccnc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000355302521 381738311 /nfs/dbraw/zinc/73/83/11/381738311.db2.gz QFULTKXQCCLCSM-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM CC(F)(F)C(=O)[N-]CC#Cc1cccc(C(F)(F)F)c1 ZINC000293033938 381958944 /nfs/dbraw/zinc/95/89/44/381958944.db2.gz KEPGQMYXVMGUBT-UHFFFAOYSA-N -1 1 291.219 2.828 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1[O-] ZINC000188250127 382376631 /nfs/dbraw/zinc/37/66/31/382376631.db2.gz WQCHHBANYWUHTH-OAHLLOKOSA-N -1 1 293.326 2.636 20 30 CFEDMM N#Cc1ccc(C(=O)NCCCc2ccccc2F)cc1[O-] ZINC000358008739 382405249 /nfs/dbraw/zinc/40/52/49/382405249.db2.gz BVDMWXNOZRHBOR-UHFFFAOYSA-N -1 1 298.317 2.766 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000294181694 382448917 /nfs/dbraw/zinc/44/89/17/382448917.db2.gz WWXFUCIYMUWMRO-SSDOTTSWSA-N -1 1 257.202 2.655 20 30 CFEDMM C=CCCN(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000346816875 382527078 /nfs/dbraw/zinc/52/70/78/382527078.db2.gz FCMSYQKRMXUSRI-UHFFFAOYSA-N -1 1 269.728 2.702 20 30 CFEDMM N#Cc1ccc(C(=O)NCCC2=CCCCC2)cc1[O-] ZINC000189885371 382644002 /nfs/dbraw/zinc/64/40/02/382644002.db2.gz WVIULTHYKKDAAJ-UHFFFAOYSA-N -1 1 270.332 2.884 20 30 CFEDMM COc1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442626617 382938561 /nfs/dbraw/zinc/93/85/61/382938561.db2.gz URUYILXEKDROFX-LLVKDONJSA-N -1 1 296.326 2.763 20 30 CFEDMM N#Cc1ccc(C(=O)N(CC2CC2)CC2CC2)cc1[O-] ZINC000442646831 382940907 /nfs/dbraw/zinc/94/09/07/382940907.db2.gz HKDJGRDYJKULJS-UHFFFAOYSA-N -1 1 270.332 2.526 20 30 CFEDMM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000457284021 383012056 /nfs/dbraw/zinc/01/20/56/383012056.db2.gz NTEYXXXSAPAPNP-ZBFHGGJFSA-N -1 1 272.348 2.818 20 30 CFEDMM N#Cc1cccc([N-]S(=O)(=O)CCC2CCCCC2)n1 ZINC000567870324 383324474 /nfs/dbraw/zinc/32/44/74/383324474.db2.gz ZSWXBNIAMWZAJE-UHFFFAOYSA-N -1 1 293.392 2.665 20 30 CFEDMM CC[C@H]1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000479516125 383406405 /nfs/dbraw/zinc/40/64/05/383406405.db2.gz UZBKJIIPIJVGRJ-YEORSEQZSA-N -1 1 272.348 2.962 20 30 CFEDMM CC1(C)CCC[C@@H]1CC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000528442683 383538818 /nfs/dbraw/zinc/53/88/18/383538818.db2.gz FQNQDAUZPUHKLE-LLVKDONJSA-N -1 1 296.392 2.646 20 30 CFEDMM CC#CCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436985081 383899887 /nfs/dbraw/zinc/89/98/87/383899887.db2.gz BZDRQFAAJPHDBX-UHFFFAOYSA-N -1 1 271.238 2.554 20 30 CFEDMM CC(C)Oc1ccc(C(=O)C(C#N)c2ccccn2)nc1 ZINC000573289433 383903936 /nfs/dbraw/zinc/90/39/36/383903936.db2.gz OCBZEGVLSVEHIV-ZDUSSCGKSA-N -1 1 281.315 2.754 20 30 CFEDMM C#CCC(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289154371 197247957 /nfs/dbraw/zinc/24/79/57/197247957.db2.gz UAUWBQCINAYUAE-UHFFFAOYSA-N -1 1 260.268 2.882 20 30 CFEDMM N#Cc1sc([N-]c2cc3n(n2)CCCC3)nc1Cl ZINC000286657332 385678369 /nfs/dbraw/zinc/67/83/69/385678369.db2.gz WWAOTVYEZFKSTR-UHFFFAOYSA-N -1 1 279.756 2.945 20 30 CFEDMM C#CCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)C1CC1 ZINC000274121042 385723082 /nfs/dbraw/zinc/72/30/82/385723082.db2.gz SQIDFDDDZPELLJ-UHFFFAOYSA-N -1 1 293.750 2.682 20 30 CFEDMM C=CC[C@@H](CC)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000281630080 195315700 /nfs/dbraw/zinc/31/57/00/195315700.db2.gz GMMZFAHZILRIMH-LLVKDONJSA-N -1 1 291.395 2.873 20 30 CFEDMM N#Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1[O-] ZINC000188621626 393565660 /nfs/dbraw/zinc/56/56/60/393565660.db2.gz GKJXIIGOJSQRPV-OKILXGFUSA-N -1 1 270.332 2.526 20 30 CFEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@H](C)C1 ZINC000189006808 393569941 /nfs/dbraw/zinc/56/99/41/393569941.db2.gz YBHJVOSJKOSOHG-NEPJUHHUSA-N -1 1 272.348 2.772 20 30 CFEDMM C[C@H](CC#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000194746459 393715955 /nfs/dbraw/zinc/71/59/55/393715955.db2.gz XTEJDUWREXRDII-SNVBAGLBSA-N -1 1 254.289 2.577 20 30 CFEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1sccc1F ZINC000338978262 393807005 /nfs/dbraw/zinc/80/70/05/393807005.db2.gz OZFHOONSOUUWLC-QMMMGPOBSA-N -1 1 263.359 2.520 20 30 CFEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CC1(C)C ZINC000416276261 393894580 /nfs/dbraw/zinc/89/45/80/393894580.db2.gz MHSXFWUEXXTASI-QWHCGFSZSA-N -1 1 272.348 2.818 20 30 CFEDMM CCSc1cccc([N-]S(=O)(=O)[C@@H](C#N)CC)c1 ZINC000416965313 393947040 /nfs/dbraw/zinc/94/70/40/393947040.db2.gz XGMWWEQPUFJEFK-GFCCVEGCSA-N -1 1 284.406 2.842 20 30 CFEDMM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000121675464 393958165 /nfs/dbraw/zinc/95/81/65/393958165.db2.gz XKSMTESPAZGLNK-LBPRGKRZSA-N -1 1 292.360 2.649 20 30 CFEDMM C=CCN(CCc1ccccc1)C(=O)c1ncccc1[O-] ZINC000153683786 394288934 /nfs/dbraw/zinc/28/89/34/394288934.db2.gz HZYOKTYBYDGGIK-UHFFFAOYSA-N -1 1 282.343 2.658 20 30 CFEDMM N#Cc1cc(NC(=O)c2ccccc2[O-])ccc1F ZINC000051637711 397589876 /nfs/dbraw/zinc/58/98/76/397589876.db2.gz YNIOGRBNFCRRKV-UHFFFAOYSA-N -1 1 256.236 2.655 20 30 CFEDMM COCCN(CCC#N)C(=O)c1ccc2ccccc2c1[O-] ZINC000103428022 397595163 /nfs/dbraw/zinc/59/51/63/397595163.db2.gz QBBRMDKWNSHESL-UHFFFAOYSA-N -1 1 298.342 2.548 20 30 CFEDMM COCCN(CCC#N)C(=O)c1cc2ccccc2cc1[O-] ZINC000103428399 397595205 /nfs/dbraw/zinc/59/52/05/397595205.db2.gz IMTLSQPNBLMEMN-UHFFFAOYSA-N -1 1 298.342 2.548 20 30 CFEDMM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000408114668 157380419 /nfs/dbraw/zinc/38/04/19/157380419.db2.gz YXICHKZMASQSFG-NEPJUHHUSA-N -1 1 296.392 2.644 20 30 CFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000006316477 170190485 /nfs/dbraw/zinc/19/04/85/170190485.db2.gz COHVUEXWRHCXKP-UHFFFAOYSA-N -1 1 294.282 2.637 20 30 CFEDMM C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000334650626 225255439 /nfs/dbraw/zinc/25/54/39/225255439.db2.gz GBCVVOYTZRTSMF-KRTXAFLBSA-N -1 1 250.685 2.534 20 30 CFEDMM C=CCCCCCN(C)C(=O)c1ncc(C)cc1[O-] ZINC000427471208 260744422 /nfs/dbraw/zinc/74/44/22/260744422.db2.gz LHVDYXONJJPIIS-UHFFFAOYSA-N -1 1 262.353 2.914 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1cccc(SC)n1 ZINC000427767396 260832688 /nfs/dbraw/zinc/83/26/88/260832688.db2.gz PNPSHPVTEUAAPF-UHFFFAOYSA-N -1 1 272.395 2.511 20 30 CFEDMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188591175 262321722 /nfs/dbraw/zinc/32/17/22/262321722.db2.gz NGNHIWVSJXXGCM-GHMZBOCLSA-N -1 1 258.321 2.524 20 30 CFEDMM N#CC1(c2nc(-c3ccc([O-])cc3F)no2)CCC1 ZINC000278244534 263046044 /nfs/dbraw/zinc/04/60/44/263046044.db2.gz SRDRHOLXJSSNKH-UHFFFAOYSA-N -1 1 259.240 2.527 20 30 CFEDMM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000331265683 264185840 /nfs/dbraw/zinc/18/58/40/264185840.db2.gz HKNQNGFLAHQRQZ-JSGCOSHPSA-N -1 1 274.320 2.526 20 30 CFEDMM CCOc1ccc(C#N)cc1NC(=O)c1ccccc1[O-] ZINC000194274618 266336779 /nfs/dbraw/zinc/33/67/79/266336779.db2.gz PNCINGPYWHTEMR-UHFFFAOYSA-N -1 1 282.299 2.915 20 30 CFEDMM C=C[C@H](C)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000357988814 266393988 /nfs/dbraw/zinc/39/39/88/266393988.db2.gz NBDCBOSWYXIPKO-QMMMGPOBSA-N -1 1 269.728 2.749 20 30 CFEDMM COc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)ccc1C#N ZINC000367009920 277794735 /nfs/dbraw/zinc/79/47/35/277794735.db2.gz JDNUELWMDZTQCM-FRKPEAEDSA-N -1 1 293.278 2.889 20 30 CFEDMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336447013 280334447 /nfs/dbraw/zinc/33/44/47/280334447.db2.gz PRNSTRRECHKSRT-GXFFZTMASA-N -1 1 258.321 2.667 20 30 CFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)ccc1F ZINC000074932562 280507918 /nfs/dbraw/zinc/50/79/18/280507918.db2.gz JIFKFPAIFZEDOP-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2C2CC2)cc1[O-] ZINC000565820421 290327317 /nfs/dbraw/zinc/32/73/17/290327317.db2.gz CDFWJZJCWBYHNO-CABCVRRESA-N -1 1 284.359 2.820 20 30 CFEDMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)cc2)o1 ZINC000426782184 301712791 /nfs/dbraw/zinc/71/27/91/301712791.db2.gz DRKWIGFDGCXWHJ-CQSZACIVSA-N -1 1 284.315 2.765 20 30 CFEDMM CC(C)(C)CN(CCC#N)C(=O)c1ccc([O-])cc1F ZINC000181956127 327811685 /nfs/dbraw/zinc/81/16/85/327811685.db2.gz HIWBBWWGPOIPFY-UHFFFAOYSA-N -1 1 278.327 2.933 20 30 CFEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1sccc1F ZINC000338945493 327992630 /nfs/dbraw/zinc/99/26/30/327992630.db2.gz NJZNOCNCIHVHKN-VIFPVBQESA-N -1 1 277.386 2.910 20 30 CFEDMM CCCc1cc(=O)[n-]c(S[C@@H]2CC[C@H](C#N)C2)n1 ZINC000278622054 328228684 /nfs/dbraw/zinc/22/86/84/328228684.db2.gz SPYZJDYWCYPFMD-GXSJLCMTSA-N -1 1 263.366 2.919 20 30 CFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000179028263 323731404 /nfs/dbraw/zinc/73/14/04/323731404.db2.gz UBSNVQRJEJGKOW-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM Cc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1F ZINC000180018556 323769469 /nfs/dbraw/zinc/76/94/69/323769469.db2.gz BLIJXBVATSKFTE-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM O=C(N[C@@H](CO)CC1CCCC1)c1c([O-])cccc1F ZINC000331238955 328478639 /nfs/dbraw/zinc/47/86/39/328478639.db2.gz NYAGSLKPNOBGKA-LLVKDONJSA-N -1 1 281.327 2.777 20 30 CFEDMM C=CCC[C@@H](C(=O)[N-]OC[C@H]1CCOC1)c1ccccc1 ZINC000187872649 326834305 /nfs/dbraw/zinc/83/43/05/326834305.db2.gz WYRPDMULODJVMH-GOEBONIOSA-N -1 1 289.375 2.821 20 30 CFEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000152738652 327513816 /nfs/dbraw/zinc/51/38/16/327513816.db2.gz IXINXLHABSHRFD-RXMQYKEDSA-N -1 1 286.205 2.908 20 30 CFEDMM N#CCCN(CCC#N)C(=O)c1cc2ccccc2cc1[O-] ZINC000120491945 330388851 /nfs/dbraw/zinc/38/88/51/330388851.db2.gz AWELAQCKIQPZAZ-UHFFFAOYSA-N -1 1 293.326 2.815 20 30 CFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193358550 333248567 /nfs/dbraw/zinc/24/85/67/333248567.db2.gz CQLZAGFPSYQMPH-UHFFFAOYSA-N -1 1 286.356 2.862 20 30 CFEDMM C=CCC1(C(=O)Nc2cccc(F)c2[O-])CCOCC1 ZINC000530005738 333517868 /nfs/dbraw/zinc/51/78/68/333517868.db2.gz NADHTEIEDXUHMQ-UHFFFAOYSA-N -1 1 279.311 2.843 20 30 CFEDMM C=CCSCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000543761623 333896635 /nfs/dbraw/zinc/89/66/35/333896635.db2.gz RKKVIJQVMLTNPL-UHFFFAOYSA-N -1 1 297.401 2.630 20 30 CFEDMM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000556264928 334505156 /nfs/dbraw/zinc/50/51/56/334505156.db2.gz BSMGJVQWIYGZEC-LLVKDONJSA-N -1 1 296.323 2.542 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1[O-] ZINC000336152562 526600068 /nfs/dbraw/zinc/60/00/68/526600068.db2.gz MFFISRXDPBCKTD-LSDHHAIUSA-N -1 1 278.311 2.550 20 30 CFEDMM N#Cc1cnc(C(=O)Nc2cc(F)ccc2[O-])c(Cl)c1 ZINC000340329892 526772527 /nfs/dbraw/zinc/77/25/27/526772527.db2.gz VXFJNJFLCPPUSS-UHFFFAOYSA-N -1 1 291.669 2.704 20 30 CFEDMM C[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000736583860 574061571 /nfs/dbraw/zinc/06/15/71/574061571.db2.gz CLXRTOKNEFGWIT-DXOCJUPFSA-N -1 1 276.119 2.839 20 30 CFEDMM C=CCSCCNC(=O)c1c([O-])cccc1Cl ZINC000745189326 574105754 /nfs/dbraw/zinc/10/57/54/574105754.db2.gz LWTWYARBDCBETQ-UHFFFAOYSA-N -1 1 271.769 2.695 20 30 CFEDMM CC(=NNc1ccc(F)cn1)c1ccc(F)cc1O ZINC000731321050 574116701 /nfs/dbraw/zinc/11/67/01/574116701.db2.gz CFAGYOINWIXISK-UHFFFAOYSA-N -1 1 263.247 2.902 20 30 CFEDMM CC(=NNc1ccc(F)cn1)c1ccc(F)cc1[O-] ZINC000731321050 574116703 /nfs/dbraw/zinc/11/67/03/574116703.db2.gz CFAGYOINWIXISK-UHFFFAOYSA-N -1 1 263.247 2.902 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(F)c(Cl)c2)n1 ZINC000755455510 574163170 /nfs/dbraw/zinc/16/31/70/574163170.db2.gz OBSIWRRZRFKXGE-UHFFFAOYSA-N -1 1 280.690 2.729 20 30 CFEDMM CC[C@H](C)C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000755726926 574181425 /nfs/dbraw/zinc/18/14/25/574181425.db2.gz PXSZNADUIPQPQB-VIFPVBQESA-N -1 1 290.371 2.731 20 30 CFEDMM N#Cc1ccc([C@H](NCc2ccccc2F)C(=O)[O-])cc1 ZINC000739104621 574198685 /nfs/dbraw/zinc/19/86/85/574198685.db2.gz CJJDUGITUKPANV-HNNXBMFYSA-N -1 1 284.290 2.613 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1nccs1 ZINC000756901703 574271326 /nfs/dbraw/zinc/27/13/26/574271326.db2.gz WZGIHYHLDAYNRC-UHFFFAOYSA-N -1 1 291.332 2.686 20 30 CFEDMM C=CC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccncc1 ZINC000749391030 574292681 /nfs/dbraw/zinc/29/26/81/574292681.db2.gz HYCXEABOVZVXBT-VIFPVBQESA-N -1 1 276.233 2.715 20 30 CFEDMM [O-]c1c(F)cc(CN=Nc2ccc(Cl)nn2)cc1F ZINC000749853628 574312454 /nfs/dbraw/zinc/31/24/54/574312454.db2.gz QVQPYTXGXRYHHH-UHFFFAOYSA-N -1 1 284.653 2.560 20 30 CFEDMM O=C([O-])c1cccc(NN=Cc2cc(F)c(O)c(F)c2)c1 ZINC000749853248 574312657 /nfs/dbraw/zinc/31/26/57/574312657.db2.gz FZXFWEIMTREOCR-UHFFFAOYSA-N -1 1 292.241 2.815 20 30 CFEDMM CC(=NO[C@H]1CCCCO1)c1ccc([O-])c(F)c1 ZINC000755824185 574350899 /nfs/dbraw/zinc/35/08/99/574350899.db2.gz VJVZLVOWODDRAE-ZDUSSCGKSA-N -1 1 253.273 2.799 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2C2CC2)c(=O)o1 ZINC000751031669 574368670 /nfs/dbraw/zinc/36/86/70/574368670.db2.gz BDETXWDHIMCBDY-KBOKABMXSA-N -1 1 296.322 2.792 20 30 CFEDMM C[C@H](NCc1ccc(C(=O)[O-])o1)c1ccc(C#N)cc1 ZINC000109408402 600749723 /nfs/dbraw/zinc/74/97/23/600749723.db2.gz GGFMVXKFNMBUQO-JTQLQIEISA-N -1 1 270.288 2.700 20 30 CFEDMM C=CCCCCSc1nc([O-])cc(=O)n1CCCC ZINC000901747637 620907977 /nfs/dbraw/zinc/90/79/77/620907977.db2.gz CFVKVRHEDBIAAC-UHFFFAOYSA-N -1 1 282.409 2.991 20 30 CFEDMM C=CCC(CC=C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833369875 605060088 /nfs/dbraw/zinc/06/00/88/605060088.db2.gz GVKBJJTUUOFJAT-UHFFFAOYSA-N -1 1 299.330 2.968 20 30 CFEDMM O=C([O-])c1ccccc1N=NCc1cccc(O)c1 ZINC000812442217 605100901 /nfs/dbraw/zinc/10/09/01/605100901.db2.gz VBVHFVVVPMVBRR-UHFFFAOYSA-N -1 1 256.261 2.536 20 30 CFEDMM C=C(C)CN(CC)Cc1cc(C(=O)[O-])ccc1F ZINC000382507345 605829064 /nfs/dbraw/zinc/82/90/64/605829064.db2.gz YSBSUTUBANBTHC-UHFFFAOYSA-N -1 1 251.301 2.922 20 30 CFEDMM Fc1cccc(NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822792434 606370960 /nfs/dbraw/zinc/37/09/60/606370960.db2.gz WGWUYJAMSXPBOL-UHFFFAOYSA-N -1 1 288.311 2.513 20 30 CFEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)Oc2ccccc21 ZINC000823503026 606392948 /nfs/dbraw/zinc/39/29/48/606392948.db2.gz AILQMTXZFFJXRB-XFFZJAGNSA-N -1 1 296.311 2.544 20 30 CFEDMM C=CCC(CC=C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891620831 617688578 /nfs/dbraw/zinc/68/85/78/617688578.db2.gz DDAGUTBENSWLTL-UHFFFAOYSA-N -1 1 287.363 2.768 20 30 CFEDMM CC(C)OCCON=Cc1c([O-])ccc(Cl)c1F ZINC000812237613 617750854 /nfs/dbraw/zinc/75/08/54/617750854.db2.gz ISELTQMKKQBZJX-UHFFFAOYSA-N -1 1 275.707 2.960 20 30 CFEDMM C#CCCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760252 617839956 /nfs/dbraw/zinc/83/99/56/617839956.db2.gz LYCMZBHDGALXDX-UHFFFAOYSA-N -1 1 265.740 2.855 20 30 CFEDMM C=CCCCN(CC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000890813407 617910669 /nfs/dbraw/zinc/91/06/69/617910669.db2.gz XAAAADWBGPRJJY-UHFFFAOYSA-N -1 1 258.321 2.692 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NN[C@H](C)C(F)(F)F ZINC000901249655 620771765 /nfs/dbraw/zinc/77/17/65/620771765.db2.gz FKQXMBHMBRVSSA-SSDOTTSWSA-N -1 1 264.222 2.714 20 30 CFEDMM C=CCCO[C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901373979 620798167 /nfs/dbraw/zinc/79/81/67/620798167.db2.gz BNZWFLCOIHCWIX-LLVKDONJSA-N -1 1 267.300 2.525 20 30 CFEDMM Cc1cccc(OCC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901379418 620799445 /nfs/dbraw/zinc/79/94/45/620799445.db2.gz XSTMSSUBRGVKNP-UHFFFAOYSA-N -1 1 289.306 2.931 20 30 CFEDMM C#CCCCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000163040654 619120264 /nfs/dbraw/zinc/12/02/64/619120264.db2.gz GGSCGSKPTHCCQB-UHFFFAOYSA-N -1 1 251.713 2.579 20 30 CFEDMM N#C[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000896507233 619753009 /nfs/dbraw/zinc/75/30/09/619753009.db2.gz ZYLJZFZKVITWFK-JTQLQIEISA-N -1 1 250.729 2.781 20 30 CFEDMM Cc1nc(SCc2ccc(C#N)o2)[n-]c(=O)c1C ZINC000871665359 620046510 /nfs/dbraw/zinc/04/65/10/620046510.db2.gz IIQSCZCCSOIPOJ-UHFFFAOYSA-N -1 1 261.306 2.556 20 30 CFEDMM C=CCC(CC=C)C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888117466 620121396 /nfs/dbraw/zinc/12/13/96/620121396.db2.gz LFSXFKVEDKVJGE-UHFFFAOYSA-N -1 1 291.351 2.682 20 30 CFEDMM Cc1ccc([O-])c(C(=O)/C=C/c2c3c(nn2C)CCC3)c1 ZINC000899363450 620551288 /nfs/dbraw/zinc/55/12/88/620551288.db2.gz MYPGTJAFNKNVEJ-VQHVLOKHSA-N -1 1 282.343 2.819 20 30 CFEDMM C=CCCCSc1nc([O-])cc(=O)n1CCCC ZINC000901751945 620908779 /nfs/dbraw/zinc/90/87/79/620908779.db2.gz YADVQEJITPTHOH-UHFFFAOYSA-N -1 1 268.382 2.601 20 30 CFEDMM C=CCCCC[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903922265 621473868 /nfs/dbraw/zinc/47/38/68/621473868.db2.gz WEOMRFPBJDBUJR-UHFFFAOYSA-N -1 1 275.348 2.936 20 30 CFEDMM CCCCCCN([O-])C(=O)C(F)(F)C1CCOCC1 ZINC000904204082 621550198 /nfs/dbraw/zinc/55/01/98/621550198.db2.gz DNJVLNYHFBCPLM-UHFFFAOYSA-N -1 1 279.327 2.846 20 30 CFEDMM N#Cc1cc([O-])ccc1-c1cnc(C2CCOCC2)o1 ZINC000904810001 621645173 /nfs/dbraw/zinc/64/51/73/621645173.db2.gz YCVZONHFASXYRG-UHFFFAOYSA-N -1 1 270.288 2.813 20 30 CFEDMM CC[C@H](C#N)C(=O)Nc1cccc([O-])c1Br ZINC000908708193 622267174 /nfs/dbraw/zinc/26/71/74/622267174.db2.gz QERQSCBWCBGTGY-SSDOTTSWSA-N -1 1 283.125 2.643 20 30 CFEDMM C[C@H](CC#N)C(=O)Nc1cccc([O-])c1Br ZINC000908708246 622267193 /nfs/dbraw/zinc/26/71/93/622267193.db2.gz SFEVLQYJYMVHLU-SSDOTTSWSA-N -1 1 283.125 2.643 20 30 CFEDMM C=CCCO[C@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909979425 622378854 /nfs/dbraw/zinc/37/88/54/622378854.db2.gz RHGZTRINBVMEAZ-MRVPVSSYSA-N -1 1 271.263 2.590 20 30 CFEDMM C[C@H](C#N)N(C(=O)c1c([O-])cnc2c(F)cccc21)C1CC1 ZINC000912412093 622701758 /nfs/dbraw/zinc/70/17/58/622701758.db2.gz YITSGMBIHNMHOI-SECBINFHSA-N -1 1 299.305 2.596 20 30 CFEDMM CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@H](C)C#N ZINC000912687936 622760278 /nfs/dbraw/zinc/76/02/78/622760278.db2.gz WFFRDJAAJYCGAZ-SNVBAGLBSA-N -1 1 284.315 2.625 20 30 CFEDMM N#CC(=C([O-])C=C[C@H]1CCCO1)c1cnc2ccccc2n1 ZINC000820853561 622774863 /nfs/dbraw/zinc/77/48/63/622774863.db2.gz XLPZVJYIHMPHLL-NAISLTENSA-N -1 1 293.326 2.541 20 30 CFEDMM Cc1nc(C)c(/C=C2/Oc3cc([O-])ccc3C2=O)o1 ZINC000821040538 622830663 /nfs/dbraw/zinc/83/06/63/622830663.db2.gz ZAWWGRDCHLCYCU-AWNIVKPZSA-N -1 1 257.245 2.613 20 30 CFEDMM Cn1ncc(Cl)c1/C=C\C(=O)c1ccc([O-])cc1 ZINC000210501518 622874584 /nfs/dbraw/zinc/87/45/84/622874584.db2.gz XNAKKWAAKCBRBT-SREVYHEPSA-N -1 1 262.696 2.675 20 30 CFEDMM C[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C1CC1 ZINC000057307449 622998676 /nfs/dbraw/zinc/99/86/76/622998676.db2.gz SPPTZDKIIKHQFE-RXMQYKEDSA-N -1 1 262.235 2.848 20 30 CFEDMM C=C(Cl)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000231808069 623370263 /nfs/dbraw/zinc/37/02/63/623370263.db2.gz NRRCMPWUNQYWKL-UHFFFAOYSA-N -1 1 286.205 2.741 20 30 CFEDMM C=CCN(C(=O)c1ncc2ccccc2c1[O-])C(C)C ZINC000826072510 623790484 /nfs/dbraw/zinc/79/04/84/623790484.db2.gz ZWTWCSAPWXNJJQ-UHFFFAOYSA-N -1 1 270.332 2.977 20 30 CFEDMM CCCCCC(C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914599995 623906797 /nfs/dbraw/zinc/90/67/97/623906797.db2.gz MRCYTOJQBCTAQX-UHFFFAOYSA-N -1 1 293.392 2.681 20 30 CFEDMM CCOC(=O)C(C)(C)ON=C(C)c1ccc([O-])c(F)c1 ZINC000835005952 623929685 /nfs/dbraw/zinc/92/96/85/623929685.db2.gz UGEPNARIVYRULC-UHFFFAOYSA-N -1 1 283.299 2.614 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]cnc3c2)n1 ZINC000915100305 623981835 /nfs/dbraw/zinc/98/18/35/623981835.db2.gz REVNHGMXNQOOGZ-SNVBAGLBSA-N -1 1 282.328 2.818 20 30 CFEDMM Cc1n[nH]c(C)c1/C=C1/Oc2cc([O-])cc(C)c2C1=O ZINC000915988820 624204777 /nfs/dbraw/zinc/20/47/77/624204777.db2.gz IWENRWSUYXEHIK-AWNIVKPZSA-N -1 1 270.288 2.657 20 30 CFEDMM C#CCCCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000154226074 624291881 /nfs/dbraw/zinc/29/18/81/624291881.db2.gz FSQBNLRVWLXWCT-UHFFFAOYSA-N -1 1 296.164 2.688 20 30 CFEDMM C=CC[N@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000155048142 624595788 /nfs/dbraw/zinc/59/57/88/624595788.db2.gz PAQORXIMUGATME-UHFFFAOYSA-N -1 1 297.354 2.947 20 30 CFEDMM C=CC[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000155048142 624595794 /nfs/dbraw/zinc/59/57/94/624595794.db2.gz PAQORXIMUGATME-UHFFFAOYSA-N -1 1 297.354 2.947 20 30 CFEDMM C=CC[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000155048142 624595801 /nfs/dbraw/zinc/59/58/01/624595801.db2.gz PAQORXIMUGATME-UHFFFAOYSA-N -1 1 297.354 2.947 20 30 CFEDMM C=CC(C)(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821915 625882871 /nfs/dbraw/zinc/88/28/71/625882871.db2.gz HNMQNNNTVJGHGF-UHFFFAOYSA-N -1 1 253.729 2.874 20 30 CFEDMM N#C[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000921539966 625980824 /nfs/dbraw/zinc/98/08/24/625980824.db2.gz WPKZGSNAJYHUFR-ZDUSSCGKSA-N -1 1 292.766 2.787 20 30 CFEDMM CC(C)c1nccnc1NN=Cc1cc(C(=O)[O-])cs1 ZINC000773086234 626100623 /nfs/dbraw/zinc/10/06/23/626100623.db2.gz PBURFEPOLKMIHP-UHFFFAOYSA-N -1 1 290.348 2.806 20 30 CFEDMM C#CC1(NC(=O)c2cc(Cl)c([O-])c(OC)c2)CCCC1 ZINC000922215528 626241882 /nfs/dbraw/zinc/24/18/82/626241882.db2.gz PGLVEBRNYNVEPM-UHFFFAOYSA-N -1 1 293.750 2.730 20 30 CFEDMM CC(N=Nc1ccccn1)c1ccccc1C(=O)[O-] ZINC000757459625 626552518 /nfs/dbraw/zinc/55/25/18/626552518.db2.gz JWQJGUHAZDAQJS-UHFFFAOYSA-N -1 1 255.277 2.616 20 30 CFEDMM CC(=NNc1ccccn1)c1cc(F)cc(F)c1[O-] ZINC000757460580 626552692 /nfs/dbraw/zinc/55/26/92/626552692.db2.gz XYYNZUJKSQLCBX-UHFFFAOYSA-N -1 1 263.247 2.902 20 30 CFEDMM Cc1ccnc(N=NC(C)c2ccccc2C(=O)[O-])c1 ZINC000757464670 626552844 /nfs/dbraw/zinc/55/28/44/626552844.db2.gz DXFIHZCHJWCZLI-UHFFFAOYSA-N -1 1 269.304 2.924 20 30 CFEDMM O=C([O-])COc1ccc(/C=C/C(=O)c2ccccc2O)cc1 ZINC000757474906 626553197 /nfs/dbraw/zinc/55/31/97/626553197.db2.gz NHSNAEWLKDJTLJ-JXMROGBWSA-N -1 1 298.294 2.752 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cccc(Cl)c2F)n1 ZINC000759646051 626679298 /nfs/dbraw/zinc/67/92/98/626679298.db2.gz BDOXTHXSCBDAFM-UHFFFAOYSA-N -1 1 280.690 2.729 20 30 CFEDMM O=C([O-])c1ccc(N=NCc2c(F)cccc2F)nc1 ZINC000763370495 626983756 /nfs/dbraw/zinc/98/37/56/626983756.db2.gz QRQOPFFLFOYUCI-UHFFFAOYSA-N -1 1 277.230 2.504 20 30 CFEDMM CCN(C[C@@H](C)C#N)C(=O)c1c([O-])cccc1Cl ZINC000763983582 627029273 /nfs/dbraw/zinc/02/92/73/627029273.db2.gz DBTLDFDADMADSQ-VIFPVBQESA-N -1 1 266.728 2.667 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NNCc2cccc(C)c2)c1 ZINC000764710127 627086061 /nfs/dbraw/zinc/08/60/61/627086061.db2.gz SGICBUSVJRBCQN-UHFFFAOYSA-N -1 1 298.342 2.611 20 30 CFEDMM CNC(=S)NN=C(C)c1cc(Cl)c(Cl)cc1[O-] ZINC000765992917 627169936 /nfs/dbraw/zinc/16/99/36/627169936.db2.gz QPSZJAAPYATSOE-UHFFFAOYSA-N -1 1 292.191 2.517 20 30 CFEDMM COc1cc(C)ccc1C(C)=NNc1nc(C)cc(=O)[n-]1 ZINC000767014343 627231270 /nfs/dbraw/zinc/23/12/70/627231270.db2.gz DQITULSYOXUITM-UHFFFAOYSA-N -1 1 286.335 2.644 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cccc3nccn31)O2 ZINC000769607477 627460831 /nfs/dbraw/zinc/46/08/31/627460831.db2.gz LKQIHOWLZLQKJX-RIYZIHGNSA-N -1 1 292.294 2.965 20 30 CFEDMM CC(CCCC(C)C)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769817759 627477757 /nfs/dbraw/zinc/47/77/57/627477757.db2.gz AQRHRXSGSTXQKX-UHFFFAOYSA-N -1 1 290.371 2.683 20 30 CFEDMM C=CC[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccncc1 ZINC000769857972 627482001 /nfs/dbraw/zinc/48/20/01/627482001.db2.gz BTJWKGNYLYTPPX-AWEZNQCLSA-N -1 1 286.306 2.974 20 30 CFEDMM Cc1ccnc(N=NC(C)c2ccc(C(=O)[O-])o2)c1 ZINC000773058168 627775702 /nfs/dbraw/zinc/77/57/02/627775702.db2.gz KWCKUACNKWKEEV-UHFFFAOYSA-N -1 1 259.265 2.517 20 30 CFEDMM [O-]c1c(C=Nn2cnnc2)cc(Cl)c2ccccc12 ZINC000774575976 627938426 /nfs/dbraw/zinc/93/84/26/627938426.db2.gz SUTZSHLCJCLHCW-UHFFFAOYSA-N -1 1 272.695 2.673 20 30 CFEDMM N#CCc1ccccc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000777428417 628224568 /nfs/dbraw/zinc/22/45/68/628224568.db2.gz GXEBNPVWKAEDPJ-UHFFFAOYSA-N -1 1 284.290 2.779 20 30 CFEDMM Cc1ncsc1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000780187751 628437963 /nfs/dbraw/zinc/43/79/63/628437963.db2.gz HJVOPUNTBXYHBL-POHAHGRESA-N -1 1 257.314 2.980 20 30 CFEDMM COC(=O)c1coc(/C=C2/Cc3cc([O-])ccc3C2=O)c1 ZINC000780188865 628438121 /nfs/dbraw/zinc/43/81/21/628438121.db2.gz ZURMUUAZMOAJRJ-POHAHGRESA-N -1 1 284.267 2.594 20 30 CFEDMM COc1ccc(NN=C(C)c2cc(F)cc(F)c2[O-])nc1 ZINC000780271679 628449287 /nfs/dbraw/zinc/44/92/87/628449287.db2.gz WHAAKGPVYAHLSJ-UHFFFAOYSA-N -1 1 293.273 2.910 20 30 CFEDMM O=C1c2ccccc2CN1N=Cc1cccc(F)c1[O-] ZINC000781599585 628564763 /nfs/dbraw/zinc/56/47/63/628564763.db2.gz WQJFQSJEWFNBBM-UHFFFAOYSA-N -1 1 270.263 2.521 20 30 CFEDMM O=C([O-])c1csc(/C=C/C(=O)c2ccc(O)cc2O)c1 ZINC000782206806 628614434 /nfs/dbraw/zinc/61/44/34/628614434.db2.gz KHVCYMPWVPLTMP-DUXPYHPUSA-N -1 1 290.296 2.754 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(Cl)cc2F)n1 ZINC000783511595 628714959 /nfs/dbraw/zinc/71/49/59/628714959.db2.gz QCZCAEIPFJHQHN-UHFFFAOYSA-N -1 1 280.690 2.729 20 30 CFEDMM O=c1[n-]c(N=NCCC2CCOCC2)nc2ccccc21 ZINC000788718245 629094138 /nfs/dbraw/zinc/09/41/38/629094138.db2.gz NLOAWPMIEOGXOM-UHFFFAOYSA-N -1 1 286.335 2.550 20 30 CFEDMM Cc1ccc2nc(CN=Nc3ccc(C(=O)[O-])cc3)cn2c1 ZINC000788933239 629109513 /nfs/dbraw/zinc/10/95/13/629109513.db2.gz UGZXLXWRKJIAEF-UHFFFAOYSA-N -1 1 294.314 2.787 20 30 CFEDMM Cc1ccc([O-])c(NC(=O)/C=C\c2ccccc2C#N)n1 ZINC000790073848 629208764 /nfs/dbraw/zinc/20/87/64/629208764.db2.gz XNVVPXSEFCSTQF-CLFYSBASSA-N -1 1 279.299 2.619 20 30 CFEDMM [O-]c1ccc(F)c(C=Nn2cnc3ccccc32)c1F ZINC000794487685 629650583 /nfs/dbraw/zinc/65/05/83/629650583.db2.gz BBZFOFXTQIRAPR-UHFFFAOYSA-N -1 1 273.242 2.902 20 30 CFEDMM CN(C)Cc1cnc(/C=C\C(=O)c2ccc([O-])cc2)s1 ZINC000794692741 629676910 /nfs/dbraw/zinc/67/69/10/629676910.db2.gz WCFZSJAKKZYJPG-FPLPWBNLSA-N -1 1 288.372 2.806 20 30 CFEDMM COC(=O)c1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)[n-]1 ZINC000796360738 629908457 /nfs/dbraw/zinc/90/84/57/629908457.db2.gz FKYHOPOEWPNHHN-JTQLQIEISA-N -1 1 298.298 2.591 20 30 CFEDMM N#Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)cc1 ZINC000806559274 630812397 /nfs/dbraw/zinc/81/23/97/630812397.db2.gz YKAYQXVFEORNOO-YVMONPNESA-N -1 1 293.278 2.858 20 30 CFEDMM N#Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)cc1 ZINC000806559272 630812745 /nfs/dbraw/zinc/81/27/45/630812745.db2.gz YKAYQXVFEORNOO-VMPITWQZSA-N -1 1 293.278 2.858 20 30 CFEDMM N#Cc1csc(/C=C2/CCc3cc([O-])ccc3C2=O)n1 ZINC000811689948 631606462 /nfs/dbraw/zinc/60/64/62/631606462.db2.gz PSABOGPSIFQEKO-POHAHGRESA-N -1 1 282.324 2.933 20 30 CFEDMM Cn1cc(/C=C2/Oc3cc([O-])ccc3C2=O)c(C(F)F)n1 ZINC000812241559 631678000 /nfs/dbraw/zinc/67/80/00/631678000.db2.gz JNESALLSJKRRKS-NYYWCZLTSA-N -1 1 292.241 2.680 20 30 CFEDMM CC(=NNc1ccccc1C(=O)[O-])c1cccc(CO)c1 ZINC000814768300 632120942 /nfs/dbraw/zinc/12/09/42/632120942.db2.gz QRKDFYWHJVZQSQ-UHFFFAOYSA-N -1 1 284.315 2.713 20 30 CFEDMM C[C@H](O)CNN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000814961770 632180483 /nfs/dbraw/zinc/18/04/83/632180483.db2.gz ROASGEKYICXQMX-VIFPVBQESA-N -1 1 278.739 2.503 20 30 CFEDMM CC(C)(C)CCNN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844589279 632256656 /nfs/dbraw/zinc/25/66/56/632256656.db2.gz FHODUKMYYSDBTM-UHFFFAOYSA-N -1 1 286.379 2.725 20 30 CFEDMM C[C@@]1(CCNC(=O)c2cc([O-])cc(C#N)c2)C[C@@]1(F)Cl ZINC000846411751 632706200 /nfs/dbraw/zinc/70/62/00/632706200.db2.gz OUZRILSRLPDXSU-KGLIPLIRSA-N -1 1 296.729 2.698 20 30 CFEDMM C=C(C)CO[N-]C(=O)C1(Cc2ccccc2F)CC1 ZINC000846535329 632724272 /nfs/dbraw/zinc/72/42/72/632724272.db2.gz YRTDMAYDSDYVQO-UHFFFAOYSA-N -1 1 263.312 2.772 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1cccc(Cl)c1F ZINC000846551942 632739846 /nfs/dbraw/zinc/73/98/46/632739846.db2.gz BSKPIMHTQPMQLR-QMMMGPOBSA-N -1 1 257.692 2.644 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1cccc(Cl)c1OCC ZINC000846553382 632741271 /nfs/dbraw/zinc/74/12/71/632741271.db2.gz BXTBZMHHUXXOOU-SNVBAGLBSA-N -1 1 283.755 2.904 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-]Cc1c(F)cc(F)cc1F ZINC000818521773 632858040 /nfs/dbraw/zinc/85/80/40/632858040.db2.gz VKRMPVOVSVEWGQ-UHFFFAOYSA-N -1 1 279.208 2.932 20 30 CFEDMM C#CCCCS(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000856762297 635850138 /nfs/dbraw/zinc/85/01/38/635850138.db2.gz QFKUEDJJBBUAQX-GFCCVEGCSA-N -1 1 293.379 2.533 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccnn1CC1CC1)O2 ZINC000849243598 633588595 /nfs/dbraw/zinc/58/85/95/633588595.db2.gz LKZBYDQPHRKVRU-CHHVJCJISA-N -1 1 296.326 2.923 20 30 CFEDMM Cc1ccc([O-])c(C(=O)/C=C/c2cc3n(n2)CCC3)c1 ZINC000849247929 633590391 /nfs/dbraw/zinc/59/03/91/633590391.db2.gz ZOALGDAKJPAYIO-FNORWQNLSA-N -1 1 268.316 2.739 20 30 CFEDMM N#CC1(CC(=O)[N-]Oc2ccccc2)CCCCC1 ZINC000854536617 635331856 /nfs/dbraw/zinc/33/18/56/635331856.db2.gz SEMXESYDWNEYSS-UHFFFAOYSA-N -1 1 258.321 2.961 20 30 CFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000112334221 635335384 /nfs/dbraw/zinc/33/53/84/635335384.db2.gz FINRHTFDNOMGFM-UHFFFAOYSA-N -1 1 271.341 2.777 20 30 CFEDMM C=CCCO[N-]C(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000856033389 635708860 /nfs/dbraw/zinc/70/88/60/635708860.db2.gz FBTUQRJGAHZHTE-LBPRGKRZSA-N -1 1 272.348 2.906 20 30 CFEDMM C=CCCONC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000856035000 635709716 /nfs/dbraw/zinc/70/97/16/635709716.db2.gz PJSSVIWWVIUENJ-UHFFFAOYSA-N -1 1 275.226 2.649 20 30 CFEDMM N#Cc1cccc(SCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000158740931 650235598 /nfs/dbraw/zinc/23/55/98/650235598.db2.gz KZSOSZPBBQGNEN-UHFFFAOYSA-N -1 1 285.324 2.944 20 30 CFEDMM CC(=CCC1=C(C)CCCC1(C)C)N=NC1=NCC(=O)[N-]1 ZINC000863174021 637578809 /nfs/dbraw/zinc/57/88/09/637578809.db2.gz CSAVUIBYVKQICU-UAGGQDMGSA-N -1 1 288.395 2.521 20 30 CFEDMM CCCn1cc(/C=C\C(=O)c2cc(C)ccc2[O-])nn1 ZINC000865220266 638226945 /nfs/dbraw/zinc/22/69/45/638226945.db2.gz GUOKPAALYXPJMI-ALCCZGGFSA-N -1 1 271.320 2.598 20 30 CFEDMM Cc1ccc([O-])c(C(=O)/C=C/c2c(Cl)cnn2C)c1 ZINC000122698121 639341015 /nfs/dbraw/zinc/34/10/15/639341015.db2.gz UNOMDZGUVNMAQU-GQCTYLIASA-N -1 1 276.723 2.984 20 30 CFEDMM C[C@@H]1CCCC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690439 639773554 /nfs/dbraw/zinc/77/35/54/639773554.db2.gz OSYGCTFOXZHRHL-BXUZGUMPSA-N -1 1 258.321 2.795 20 30 CFEDMM CC1(C)CC[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870692067 639774620 /nfs/dbraw/zinc/77/46/20/639774620.db2.gz WZRTVSJZRYPQJD-GFCCVEGCSA-N -1 1 258.321 2.795 20 30 CFEDMM CCc1nc(SCc2ccc(C#N)o2)[n-]c(=O)c1C ZINC000871676311 641397770 /nfs/dbraw/zinc/39/77/70/641397770.db2.gz RPABZDMJGNZTAK-UHFFFAOYSA-N -1 1 275.333 2.810 20 30 CFEDMM CC(C)c1nsc([N-]C(=O)c2sccc2C#N)n1 ZINC000874696888 642457570 /nfs/dbraw/zinc/45/75/70/642457570.db2.gz RCOMDNBRJHLGFT-UHFFFAOYSA-N -1 1 278.362 2.847 20 30 CFEDMM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)nc1 ZINC000125905992 642847546 /nfs/dbraw/zinc/84/75/46/642847546.db2.gz HIKPDZRRNJNHHS-GFCCVEGCSA-N -1 1 290.326 2.767 20 30 CFEDMM C#CCCCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000126608115 643398334 /nfs/dbraw/zinc/39/83/34/643398334.db2.gz HIBXVKTWSYOWII-UHFFFAOYSA-N -1 1 277.345 2.515 20 30 CFEDMM CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CCC[C@H]1C#N ZINC000879311697 644218563 /nfs/dbraw/zinc/21/85/63/644218563.db2.gz SUKLIBTXTNSRAN-XHDPSFHLSA-N -1 1 298.342 2.623 20 30 CFEDMM [O-]c1c(F)cc(F)cc1C=NO[C@H]1CCCCO1 ZINC000884442261 646360821 /nfs/dbraw/zinc/36/08/21/646360821.db2.gz AEUJLEBXWYHCHA-NSHDSACASA-N -1 1 257.236 2.548 20 30 CFEDMM CC(=NNCCC(=O)OC(C)(C)C)c1c([O-])cccc1F ZINC000884449016 646362814 /nfs/dbraw/zinc/36/28/14/646362814.db2.gz SHOIHYKOYVTYHR-UHFFFAOYSA-N -1 1 296.342 2.577 20 30 CFEDMM CC1(C)C[C@H](NN=Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000884452323 646366050 /nfs/dbraw/zinc/36/60/50/646366050.db2.gz MXIJTFOJRLFLHD-LLVKDONJSA-N -1 1 284.306 2.552 20 30 CFEDMM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccns1 ZINC000885285749 646654570 /nfs/dbraw/zinc/65/45/70/646654570.db2.gz QEQHZOMXRDONTL-WDEREUQCSA-N -1 1 286.422 2.556 20 30 CFEDMM C=C(C)C(C)(C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886270018 646943241 /nfs/dbraw/zinc/94/32/41/646943241.db2.gz ORCIBCUOXYUJBE-UHFFFAOYSA-N -1 1 283.318 2.931 20 30 CFEDMM C#CCCCCNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932044511 649528140 /nfs/dbraw/zinc/52/81/40/649528140.db2.gz KCEHEQMUZJRKDI-UHFFFAOYSA-N -1 1 298.346 2.503 20 30 CFEDMM CCc1nn(C)cc1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000588535099 770949397 /nfs/dbraw/zinc/94/93/97/770949397.db2.gz MEYVEAZXLKYBCU-XFFZJAGNSA-N -1 1 268.316 2.511 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cccc2nccn21 ZINC000588535057 770950722 /nfs/dbraw/zinc/95/07/22/770950722.db2.gz KWHVTXMGYOEEQW-XFXZXTDPSA-N -1 1 276.295 2.862 20 30 CFEDMM N#CC[C@H](OCCCC[P@@](=O)([O-])O)c1ccccc1 ZINC001225019654 775339114 /nfs/dbraw/zinc/33/91/14/775339114.db2.gz ZLCUYMWLNMUWPC-ZDUSSCGKSA-N -1 1 283.264 2.616 20 30 CFEDMM C=C1O[C@H](CC)C(=O)C1Oc1cc([O-])ccc1C(C)=O ZINC001225618455 775527162 /nfs/dbraw/zinc/52/71/62/775527162.db2.gz FIKXSUHMUIIPSJ-GFCCVEGCSA-N -1 1 276.288 2.583 20 30 CFEDMM C#C[C@H](CCCCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667426 775548716 /nfs/dbraw/zinc/54/87/16/775548716.db2.gz SQQOPPIQMSPOPR-SNVBAGLBSA-N -1 1 264.281 2.656 20 30 CFEDMM C#C[C@H](CCCCC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667426 775548725 /nfs/dbraw/zinc/54/87/25/775548725.db2.gz SQQOPPIQMSPOPR-SNVBAGLBSA-N -1 1 264.281 2.656 20 30 CFEDMM C=C[C@]1(C)CC[C@@H](Oc2cc(=O)[n-]c(=S)[nH]2)C(C)(C)O1 ZINC001225765977 775586972 /nfs/dbraw/zinc/58/69/72/775586972.db2.gz PEKPPARTVDDCEE-YMTOWFKASA-N -1 1 296.392 2.752 20 30 CFEDMM COC(=O)[C@H](Cc1ccccc1)Oc1cccc(/C=N/[O-])c1 ZINC001226110751 775701674 /nfs/dbraw/zinc/70/16/74/775701674.db2.gz VETODXLWYXSJDT-IQFISFIMSA-N -1 1 299.326 2.658 20 30 CFEDMM [O-]/N=C/c1cccc(OC[C@@H]2CC[C@@]3(CCCCO3)O2)c1 ZINC001226115128 775703270 /nfs/dbraw/zinc/70/32/70/775703270.db2.gz WZEWKNJXQZRGPU-BESUYIBZSA-N -1 1 291.347 2.949 20 30 CFEDMM [O-]/N=C/c1cccc(O[C@H]2CCCC3(C2)OCCO3)c1 ZINC001226116871 775706350 /nfs/dbraw/zinc/70/63/50/775706350.db2.gz WCWHKNSCJMGPSU-LUYJPIOASA-N -1 1 277.320 2.559 20 30 CFEDMM C[C@H](CS)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226185468 775729381 /nfs/dbraw/zinc/72/93/81/775729381.db2.gz WZCRGKCZRWNRQQ-SECBINFHSA-N -1 1 262.334 2.546 20 30 CFEDMM CC#CC[C@H](CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227172032 776123352 /nfs/dbraw/zinc/12/33/52/776123352.db2.gz JWSANRYEFFHCPZ-ZDUSSCGKSA-N -1 1 276.332 2.792 20 30 CFEDMM CC(C)CCOC(=O)[C@H](C)Oc1cc([O-])ccc1C#N ZINC001228006752 776359214 /nfs/dbraw/zinc/35/92/14/776359214.db2.gz HHLZVTBZHDHDFT-NSHDSACASA-N -1 1 277.320 2.620 20 30 CFEDMM C[C@@H]1c2cnccc2C[C@@H]1Oc1cc([O-])ccc1C#N ZINC001228010682 776361837 /nfs/dbraw/zinc/36/18/37/776361837.db2.gz OCDVYDCWKJEFHO-BMIGLBTASA-N -1 1 266.300 2.766 20 30 CFEDMM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1cnnc(=S)[n-]1 ZINC001228635583 776548023 /nfs/dbraw/zinc/54/80/23/776548023.db2.gz BUDFRQWXILRHCJ-GARJFASQSA-N -1 1 265.382 2.920 20 30 CFEDMM C#C[C@H](Oc1cnnc(=S)[n-]1)[C@@H](CC)CCCC ZINC001228642813 776550409 /nfs/dbraw/zinc/55/04/09/776550409.db2.gz VNWMSVFZWVWKBY-QWRGUYRKSA-N -1 1 265.382 2.757 20 30 CFEDMM C=C(C)C(=O)OC[C@H](C)Oc1cc([O-])ccc1C(=O)CC ZINC001229475287 776822831 /nfs/dbraw/zinc/82/28/31/776822831.db2.gz SUVCPFPFTACUHQ-NSHDSACASA-N -1 1 292.331 2.872 20 30 CFEDMM C=C(C)C(=O)OC[C@@H](C)Oc1cc([O-])ccc1C(=O)CC ZINC001229475286 776824189 /nfs/dbraw/zinc/82/41/89/776824189.db2.gz SUVCPFPFTACUHQ-LLVKDONJSA-N -1 1 292.331 2.872 20 30 CFEDMM COC(C[C@@H](C)Oc1ccccc1/C(C)=N/[O-])OC ZINC001229737241 776883714 /nfs/dbraw/zinc/88/37/14/776883714.db2.gz SQWMZADUYPSVMB-YMQUWAGYSA-N -1 1 267.325 2.661 20 30 CFEDMM COC(=O)[C@@H]1C[C@H](Oc2ccccc2/C(C)=N/[O-])C1(C)C ZINC001229738298 776884354 /nfs/dbraw/zinc/88/43/54/776884354.db2.gz IVJDOEGIMKCGCZ-IFEYXZSHSA-N -1 1 291.347 2.851 20 30 CFEDMM CCC[C@H](C#Cc1ccccc1)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282188 776972840 /nfs/dbraw/zinc/97/28/40/776972840.db2.gz QDZWFDHUQFDCRY-CQSZACIVSA-N -1 1 298.342 2.796 20 30 CFEDMM C#C[C@@H](CC)Oc1cccnc1-c1ncccc1[O-] ZINC001231199096 777169544 /nfs/dbraw/zinc/16/95/44/777169544.db2.gz AOQDOIXTWCHRQK-NSHDSACASA-N -1 1 254.289 2.640 20 30 CFEDMM N#C[C@H]1CCCCN1Cc1ccc(Cl)c([O-])c1 ZINC001231733836 777318676 /nfs/dbraw/zinc/31/86/76/777318676.db2.gz IKFSJIIODQQSEI-LLVKDONJSA-N -1 1 250.729 2.924 20 30 CFEDMM N#Cc1ccc([O-])c(CN2CC3(C2)CC(F)(F)CS3)c1 ZINC001232678955 777639849 /nfs/dbraw/zinc/63/98/49/777639849.db2.gz VQYMWWUHWCQQND-UHFFFAOYSA-N -1 1 296.342 2.590 20 30 CFEDMM CCCCN(CCC#N)Cc1cc(Cl)ncc1[O-] ZINC001233034031 777769492 /nfs/dbraw/zinc/76/94/92/777769492.db2.gz BGLMYYOUNKLMGP-UHFFFAOYSA-N -1 1 267.760 2.956 20 30 CFEDMM C[C@H]1CCN(Cc2ccc(C#N)cc2[O-])CC1(F)F ZINC001233383230 777924459 /nfs/dbraw/zinc/92/44/59/777924459.db2.gz AZSPMWHGCPRUMN-JTQLQIEISA-N -1 1 266.291 2.741 20 30 CFEDMM N#C[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418437 777944370 /nfs/dbraw/zinc/94/43/70/777944370.db2.gz HADDBEJUWMWCJE-VIFPVBQESA-N -1 1 270.254 2.756 20 30 CFEDMM C=CC[C@@H](C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234039532 778149565 /nfs/dbraw/zinc/14/95/65/778149565.db2.gz PHRORBLYJNXWJX-SECBINFHSA-N -1 1 260.293 2.693 20 30 CFEDMM C=CC[C@@H](C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234039532 778149568 /nfs/dbraw/zinc/14/95/68/778149568.db2.gz PHRORBLYJNXWJX-SECBINFHSA-N -1 1 260.293 2.693 20 30 CFEDMM C#CC[C@H](CC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234044426 778150760 /nfs/dbraw/zinc/15/07/60/778150760.db2.gz JZJWCMHCSCRNGD-JTQLQIEISA-N -1 1 272.304 2.530 20 30 CFEDMM CC#CC[C@@H](CC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234045248 778152095 /nfs/dbraw/zinc/15/20/95/778152095.db2.gz SIOGSGJLBYASRX-LLVKDONJSA-N -1 1 286.331 2.920 20 30 CFEDMM CC#CC[C@@H](CC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234045248 778152096 /nfs/dbraw/zinc/15/20/96/778152096.db2.gz SIOGSGJLBYASRX-LLVKDONJSA-N -1 1 286.331 2.920 20 30 CFEDMM C#C[C@@H](CCCCC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234607380 778263633 /nfs/dbraw/zinc/26/36/33/778263633.db2.gz CLPOSAMJFUKHOU-JTQLQIEISA-N -1 1 295.310 2.674 20 30 CFEDMM N#Cc1cc(N)ccc1Nc1ccc([O-])c(F)c1F ZINC001212013855 778327039 /nfs/dbraw/zinc/32/70/39/778327039.db2.gz MOLUNFBFBJUUDE-UHFFFAOYSA-N -1 1 261.231 2.868 20 30 CFEDMM N#Cc1cnc(-c2cc([O-])cc(Cl)c2)c(C#N)c1 ZINC001235899170 778598535 /nfs/dbraw/zinc/59/85/35/778598535.db2.gz FTGVYXSFJXFYIG-UHFFFAOYSA-N -1 1 255.664 2.851 20 30 CFEDMM N#Cc1c[nH]c2ncnc(-c3cc([O-])cc(Cl)c3)c12 ZINC001235900886 778599607 /nfs/dbraw/zinc/59/96/07/778599607.db2.gz ZFORRKVZXFKHNX-UHFFFAOYSA-N -1 1 270.679 2.856 20 30 CFEDMM Cc1cc(Br)c([O-])c(CN(C)CCC#N)c1 ZINC001236673432 778907606 /nfs/dbraw/zinc/90/76/06/778907606.db2.gz LQWLDKOQNKJDFJ-UHFFFAOYSA-N -1 1 283.169 2.809 20 30 CFEDMM CCN(CCC#N)Cc1c([O-])cc(OC)cc1Cl ZINC001236798232 778941270 /nfs/dbraw/zinc/94/12/70/778941270.db2.gz DNARYSASXVMORJ-UHFFFAOYSA-N -1 1 268.744 2.790 20 30 CFEDMM C[C@]1(F)CCN(Cc2cc(C#N)ccc2[O-])C[C@H]1F ZINC001232673774 778961668 /nfs/dbraw/zinc/96/16/68/778961668.db2.gz NAMYITXJQCNLIG-KGLIPLIRSA-N -1 1 266.291 2.536 20 30 CFEDMM N#CCC1CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122112 779020218 /nfs/dbraw/zinc/02/02/18/779020218.db2.gz SDZQQPYTCYBEIU-UHFFFAOYSA-N -1 1 254.692 2.530 20 30 CFEDMM C=C1O[C@H](CC)C(=O)C1Oc1nc2sccc2[n-]1 ZINC001234848756 779272473 /nfs/dbraw/zinc/27/24/73/779272473.db2.gz SNXHFMFVDZQMSG-MRVPVSSYSA-N -1 1 264.306 2.613 20 30 CFEDMM CC(C)(O)c1cncc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001240670989 780343757 /nfs/dbraw/zinc/34/37/57/780343757.db2.gz JZJFYTZIEGJAJF-QGMBQPNBSA-N -1 1 274.295 2.923 20 30 CFEDMM N#Cc1c[nH]c2ccnc(-c3ccc(C(=O)[O-])c(F)c3)c12 ZINC001241183943 780688739 /nfs/dbraw/zinc/68/87/39/780688739.db2.gz JCQXJJSVNAQYCM-UHFFFAOYSA-N -1 1 281.246 2.939 20 30 CFEDMM C=CCOc1cc(C)nc(-c2cc([O-])cc(F)c2)n1 ZINC001241256175 780737459 /nfs/dbraw/zinc/73/74/59/780737459.db2.gz PCJPRGQHCHYCNX-UHFFFAOYSA-N -1 1 260.268 2.862 20 30 CFEDMM COc1nc(-c2cccc(C)c2[O-])c(F)cc1C#N ZINC001242345321 781417061 /nfs/dbraw/zinc/41/70/61/781417061.db2.gz KYGQDLSTHWICQN-UHFFFAOYSA-N -1 1 258.252 2.782 20 30 CFEDMM N#Cc1c[nH]c2nccc(-c3cccc(F)c3[O-])c12 ZINC001242351551 781425046 /nfs/dbraw/zinc/42/50/46/781425046.db2.gz ZLOQCBKZWHATMH-UHFFFAOYSA-N -1 1 253.236 2.898 20 30 CFEDMM CCOC(=O)/C=C/c1cccnc1-c1ccc([O-])c(C#N)c1 ZINC001242562428 781599582 /nfs/dbraw/zinc/59/95/82/781599582.db2.gz XXBXVJWBCJBLSO-SOFGYWHQSA-N -1 1 294.310 2.902 20 30 CFEDMM COc1cccc2c(-c3ccc([O-])c(C#N)c3)ncnc12 ZINC001242561821 781599644 /nfs/dbraw/zinc/59/96/44/781599644.db2.gz DMFOPSGISORELE-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM CC1(C)CC(=O)Nc2nc(-c3ccc([O-])c(C#N)c3)ccc21 ZINC001242562852 781601055 /nfs/dbraw/zinc/60/10/55/781601055.db2.gz KCZUWPXHYOYZBM-UHFFFAOYSA-N -1 1 293.326 2.946 20 30 CFEDMM Cc1[nH]c2ncnc(-c3ccc([O-])c(C#N)c3)c2c1C ZINC001242562708 781601560 /nfs/dbraw/zinc/60/15/60/781601560.db2.gz IUDDWGJGMXWXPW-UHFFFAOYSA-N -1 1 264.288 2.819 20 30 CFEDMM COc1cc(-c2ccc([O-])c(C#N)c2)cc(OC)c1OC ZINC001242564649 781602957 /nfs/dbraw/zinc/60/29/57/781602957.db2.gz LLIBUBHBZGAWKG-UHFFFAOYSA-N -1 1 285.299 2.957 20 30 CFEDMM N#Cc1cc(-c2cc(C(=O)N3CCCC3)ccn2)ccc1[O-] ZINC001242564412 781603712 /nfs/dbraw/zinc/60/37/12/781603712.db2.gz YCZIBGNDNIXJLG-UHFFFAOYSA-N -1 1 293.326 2.562 20 30 CFEDMM N#Cc1cc(-c2cccc3c2COC3=O)ccc1[O-] ZINC001242564648 781603721 /nfs/dbraw/zinc/60/37/21/781603721.db2.gz LHWKJTVAXXNVAQ-UHFFFAOYSA-N -1 1 251.241 2.601 20 30 CFEDMM COc1nc2[nH]ccc2cc1-c1ccc([O-])c(C#N)c1 ZINC001242565980 781604636 /nfs/dbraw/zinc/60/46/36/781604636.db2.gz YWEYKCORPSNBCH-UHFFFAOYSA-N -1 1 265.272 2.767 20 30 CFEDMM COC(=O)c1cc2ncoc2c(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565463 781605256 /nfs/dbraw/zinc/60/52/56/781605256.db2.gz FWUUBAGGFAHDBN-UHFFFAOYSA-N -1 1 294.266 2.859 20 30 CFEDMM CCc1nc(SCCCCC#N)[n-]c(=O)c1C ZINC000594905194 349500576 /nfs/dbraw/zinc/50/05/76/349500576.db2.gz WVWZWMINIWXNBV-UHFFFAOYSA-N -1 1 251.355 2.839 20 30 CFEDMM C[C@@]1(CN=c2[n-]c(C#N)c(Cl)s2)CCO[C@@H]1C1CC1 ZINC000596194405 349823901 /nfs/dbraw/zinc/82/39/01/349823901.db2.gz KORCJJJHYNWFKD-MFKMUULPSA-N -1 1 297.811 2.707 20 30 CFEDMM CC(C)(C)O[C@H]1C[C@@H](N=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596289135 349853602 /nfs/dbraw/zinc/85/36/02/349853602.db2.gz VPHQSSFLESGXOL-OCAPTIKFSA-N -1 1 285.800 2.848 20 30 CFEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000174652341 232297644 /nfs/dbraw/zinc/29/76/44/232297644.db2.gz NHULWTMZPGAWBF-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM CCC[C@H](C#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000094079637 347690840 /nfs/dbraw/zinc/69/08/40/347690840.db2.gz VSCFSJQABPJGLF-CYBMUJFWSA-N -1 1 268.316 2.967 20 30 CFEDMM C=CCN(Cc1cccs1)C(=O)c1cncc([O-])c1 ZINC000109933677 347747393 /nfs/dbraw/zinc/74/73/93/347747393.db2.gz VKUKFVTXYIDBLR-UHFFFAOYSA-N -1 1 274.345 2.677 20 30 CFEDMM N#C[C@@]1(NC(=O)c2cc3ccccc3cc2[O-])CCSC1 ZINC000124508166 347823996 /nfs/dbraw/zinc/82/39/96/347823996.db2.gz NHWJCHUIOFTUKN-INIZCTEOSA-N -1 1 298.367 2.674 20 30 CFEDMM N#C[C@]1(NC(=O)c2cc3ccccc3cc2[O-])CCSC1 ZINC000124508302 347824139 /nfs/dbraw/zinc/82/41/39/347824139.db2.gz NHWJCHUIOFTUKN-MRXNPFEDSA-N -1 1 298.367 2.674 20 30 CFEDMM COc1ccc(C)cc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589168712 348815264 /nfs/dbraw/zinc/81/52/64/348815264.db2.gz OWQQAVVMMACJMN-UHFFFAOYSA-N -1 1 296.326 2.511 20 30 CFEDMM COc1ccc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589168366 348815329 /nfs/dbraw/zinc/81/53/29/348815329.db2.gz WOQGYXJYGYYUFH-LLVKDONJSA-N -1 1 296.326 2.763 20 30 CFEDMM CCc1csc(NC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589180365 348816386 /nfs/dbraw/zinc/81/63/86/348816386.db2.gz ZVNPITQRBNVXDA-UHFFFAOYSA-N -1 1 273.317 2.535 20 30 CFEDMM CC(C)n1cc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000589181275 348817223 /nfs/dbraw/zinc/81/72/23/348817223.db2.gz YZINUMWUSUSUSM-LLVKDONJSA-N -1 1 298.346 2.532 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Cl)cc2O)c1 ZINC000589195116 348818084 /nfs/dbraw/zinc/81/80/84/348818084.db2.gz NTULBKBGWXPTFN-UHFFFAOYSA-N -1 1 288.690 2.875 20 30 CFEDMM CC1(C)CCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589188110 348818215 /nfs/dbraw/zinc/81/82/15/348818215.db2.gz VKJXQKGYAMJTBS-CYBMUJFWSA-N -1 1 258.321 2.572 20 30 CFEDMM C[C@H]1CCC[C@H](C)C1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589188557 348818319 /nfs/dbraw/zinc/81/83/19/348818319.db2.gz LQARPTBBPLSXRN-QWRGUYRKSA-N -1 1 272.348 2.818 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2cccnc2)C2CC2)c1 ZINC000589196001 348818709 /nfs/dbraw/zinc/81/87/09/348818709.db2.gz AOYLUXKIWSVQLD-INIZCTEOSA-N -1 1 293.326 2.540 20 30 CFEDMM C=CCCC[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589196982 348818737 /nfs/dbraw/zinc/81/87/37/348818737.db2.gz RCFVXORSXZILAY-LLVKDONJSA-N -1 1 258.321 2.738 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H](C3CCC3)C2)c1 ZINC000591125420 348989889 /nfs/dbraw/zinc/98/98/89/348989889.db2.gz BAGMDYRQRIGUTN-CYBMUJFWSA-N -1 1 270.332 2.526 20 30 CFEDMM C=CCCSCCNC(=O)c1ccc([O-])cc1F ZINC000597969407 350165266 /nfs/dbraw/zinc/16/52/66/350165266.db2.gz ZUPXFBMFUVWPSG-UHFFFAOYSA-N -1 1 269.341 2.570 20 30 CFEDMM CC[C@@](C)(NC(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000598251937 350225122 /nfs/dbraw/zinc/22/51/22/350225122.db2.gz YAAYQAANVNQIHB-OAHLLOKOSA-N -1 1 258.321 2.572 20 30 CFEDMM CCOc1cc(C(=O)N(CC)[C@H](C)C#N)cc(Cl)c1[O-] ZINC000598354953 350245873 /nfs/dbraw/zinc/24/58/73/350245873.db2.gz VWLGFBBKSXTSKL-SECBINFHSA-N -1 1 296.754 2.818 20 30 CFEDMM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@H](C)C1(F)F ZINC000600184192 350533740 /nfs/dbraw/zinc/53/37/40/350533740.db2.gz NZMBCKHSGZCADS-UWVGGRQHSA-N -1 1 294.301 2.627 20 30 CFEDMM CCC(NC(=O)c1cc([O-])cc(C#N)c1)(C1CC1)C1CC1 ZINC000600244370 350545086 /nfs/dbraw/zinc/54/50/86/350545086.db2.gz AEIWPAIZLMPPID-UHFFFAOYSA-N -1 1 284.359 2.962 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCCC23CC3)c1 ZINC000600801539 350614558 /nfs/dbraw/zinc/61/45/58/350614558.db2.gz CEGMVVDJFRTOPA-CYBMUJFWSA-N -1 1 270.332 2.574 20 30 CFEDMM C[C@@H]1CCc2[n-]n(Cc3ccc(C#N)cc3)c(=O)c2C1 ZINC000601947425 350814261 /nfs/dbraw/zinc/81/42/61/350814261.db2.gz RRQNHEPWHMIJRY-BXUZGUMPSA-N -1 1 267.332 2.693 20 30 CFEDMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@H]1CCC[C@@H]1C#N ZINC000601814266 350783210 /nfs/dbraw/zinc/78/32/10/350783210.db2.gz ALBAXPAGAZMFRR-SKDRFNHKSA-N -1 1 278.739 2.810 20 30 CFEDMM Cc1cc(=O)n(-c2ccc(C#N)c(C(F)(F)F)c2)[n-]1 ZINC000601940163 350811312 /nfs/dbraw/zinc/81/13/12/350811312.db2.gz PHIHIFFNCNUJHH-UHFFFAOYSA-N -1 1 267.210 2.690 20 30 CFEDMM CCc1c(C(C)C)[n-]n(Cc2cccc(C#N)c2)c1=O ZINC000601944071 350812582 /nfs/dbraw/zinc/81/25/82/350812582.db2.gz JCORYOWMYWRXPJ-AWEZNQCLSA-N -1 1 269.348 2.939 20 30 CFEDMM C[C@H]1CCc2[n-]n(Cc3cccc(C#N)c3)c(=O)c2C1 ZINC000601944564 350812618 /nfs/dbraw/zinc/81/26/18/350812618.db2.gz LNPMEFWBIXTWJC-FZMZJTMJSA-N -1 1 267.332 2.693 20 30 CFEDMM N#Cc1ccc(Cn2[n-]c3c(c2=O)CCCCC3)cc1 ZINC000601944986 350813624 /nfs/dbraw/zinc/81/36/24/350813624.db2.gz JVBAJBXDATTWPO-AWEZNQCLSA-N -1 1 267.332 2.837 20 30 CFEDMM CCn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000604005516 351196394 /nfs/dbraw/zinc/19/63/94/351196394.db2.gz ZTGGDYYMIJDPAC-AWEZNQCLSA-N -1 1 290.326 2.941 20 30 CFEDMM C#CCC1(C(=O)[N-]OC/C=C/Cl)CCCCC1 ZINC000291429464 198019549 /nfs/dbraw/zinc/01/95/49/198019549.db2.gz AFYIXRFGBWGFNT-UXBLZVDNSA-N -1 1 255.745 2.761 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(F)cc2)c1 ZINC000614293376 352076336 /nfs/dbraw/zinc/07/63/36/352076336.db2.gz CKFLIFOSEOLCRQ-UHFFFAOYSA-N -1 1 256.236 2.655 20 30 CFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)C1CCCCC1 ZINC000614293453 352076405 /nfs/dbraw/zinc/07/64/05/352076405.db2.gz RXUGJTUPKIQHCE-UHFFFAOYSA-N -1 1 258.321 2.669 20 30 CFEDMM CC[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614294905 352076463 /nfs/dbraw/zinc/07/64/63/352076463.db2.gz AOBUSJOKPBRMGW-LLVKDONJSA-N -1 1 258.321 2.526 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(Cl)c2)c1 ZINC000614293136 352076581 /nfs/dbraw/zinc/07/65/81/352076581.db2.gz YGUKPJZTDBUVLW-UHFFFAOYSA-N -1 1 286.718 2.847 20 30 CFEDMM COc1ccc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614293063 352076596 /nfs/dbraw/zinc/07/65/96/352076596.db2.gz SFCXCKFMLXMVQJ-UHFFFAOYSA-N -1 1 296.326 2.545 20 30 CFEDMM CN(Cc1ccccc1F)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614297029 352077051 /nfs/dbraw/zinc/07/70/51/352077051.db2.gz KFIHABWLAXZIID-UHFFFAOYSA-N -1 1 284.290 2.675 20 30 CFEDMM CCC[C@H](C)c1cc(=NC(=O)c2cc([O-])cc(C#N)c2)[nH][nH]1 ZINC000614299124 352077090 /nfs/dbraw/zinc/07/70/90/352077090.db2.gz QESLTZVNTOIHSQ-JTQLQIEISA-N -1 1 298.346 2.565 20 30 CFEDMM COCc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614295576 352077225 /nfs/dbraw/zinc/07/72/25/352077225.db2.gz XLFGXXHBCHPWBV-UHFFFAOYSA-N -1 1 282.299 2.663 20 30 CFEDMM Cc1nc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2o1 ZINC000614295556 352077258 /nfs/dbraw/zinc/07/72/58/352077258.db2.gz RBWYZVXBMUBDDO-UHFFFAOYSA-N -1 1 293.282 2.966 20 30 CFEDMM CCN(CCc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614364014 352085423 /nfs/dbraw/zinc/08/54/23/352085423.db2.gz YIXAJYDHTLEELN-UHFFFAOYSA-N -1 1 294.354 2.969 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1[O-] ZINC000615478588 352198212 /nfs/dbraw/zinc/19/82/12/352198212.db2.gz ZDGKTYBOCVZEFV-LSDHHAIUSA-N -1 1 284.359 2.962 20 30 CFEDMM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000615478506 352198341 /nfs/dbraw/zinc/19/83/41/352198341.db2.gz AOJOIIWDJXUXMS-FUHWJXTLSA-N -1 1 292.338 2.724 20 30 CFEDMM CC1(C)CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000615486176 352199312 /nfs/dbraw/zinc/19/93/12/352199312.db2.gz YQBGPOMSLLXCSK-ZDUSSCGKSA-N -1 1 272.348 2.962 20 30 CFEDMM COc1cc(C(=O)N[C@@H](C#N)CC(C)C)cc(Cl)c1[O-] ZINC000615428274 352192528 /nfs/dbraw/zinc/19/25/28/352192528.db2.gz LHESDNXJYGXJEZ-SNVBAGLBSA-N -1 1 296.754 2.722 20 30 CFEDMM N#C[C@@]1(F)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000615664705 352226457 /nfs/dbraw/zinc/22/64/57/352226457.db2.gz PMNRQKFAKRYQFN-INIZCTEOSA-N -1 1 284.290 2.623 20 30 CFEDMM CC[C@H](C)n1ncc(NC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000616695203 352415460 /nfs/dbraw/zinc/41/54/60/352415460.db2.gz HNJRGCUQYJYXPC-JTQLQIEISA-N -1 1 298.346 2.992 20 30 CFEDMM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(F)ccc1[O-] ZINC000618890701 352906506 /nfs/dbraw/zinc/90/65/06/352906506.db2.gz LLUCTSVPEZOYBS-OAHLLOKOSA-N -1 1 296.301 2.820 20 30 CFEDMM CC1(C)C(CNC(=O)c2cc([O-])cc(C#N)c2)C1(C)C ZINC000619458426 353026462 /nfs/dbraw/zinc/02/64/62/353026462.db2.gz XNZYRJXIXZLYOS-UHFFFAOYSA-N -1 1 272.348 2.676 20 30 CFEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582301 353037907 /nfs/dbraw/zinc/03/79/07/353037907.db2.gz FTVXZBZGBSGMMQ-QMMMGPOBSA-N -1 1 286.253 2.785 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC000295190464 199396836 /nfs/dbraw/zinc/39/68/36/199396836.db2.gz KUVOKOFTUHFSAZ-UHFFFAOYSA-N -1 1 266.366 2.667 20 30 CFEDMM CC(C)(NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000442943252 535238647 /nfs/dbraw/zinc/23/86/47/535238647.db2.gz RRAIVJHTVQMPGX-UHFFFAOYSA-N -1 1 280.327 2.929 20 30 CFEDMM C=C[C@@](C)(CCOC)C(=O)Nc1cccc(F)c1[O-] ZINC000628959868 354706957 /nfs/dbraw/zinc/70/69/57/354706957.db2.gz JGMOJWZIJJLLPP-AWEZNQCLSA-N -1 1 267.300 2.699 20 30 CFEDMM C=C(C)CN(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632324515 355689073 /nfs/dbraw/zinc/68/90/73/355689073.db2.gz AJHSECSVRBDEQK-UHFFFAOYSA-N -1 1 253.729 2.623 20 30 CFEDMM CC[C@H]1CCC[C@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000452537255 243220024 /nfs/dbraw/zinc/22/00/24/243220024.db2.gz ZYEFXEQLUPZTQX-FZMZJTMJSA-N -1 1 272.348 2.820 20 30 CFEDMM N#Cc1ccc(C(=O)NCC2CCCCCC2)cc1[O-] ZINC000452791657 243299019 /nfs/dbraw/zinc/29/90/19/243299019.db2.gz KBSNNRZZKQJEAE-UHFFFAOYSA-N -1 1 272.348 2.964 20 30 CFEDMM CC[C@H](C#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000040350783 372782079 /nfs/dbraw/zinc/78/20/79/372782079.db2.gz SEPDLBHKXIIWMX-LLVKDONJSA-N -1 1 254.289 2.577 20 30 CFEDMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@]12CCOC2 ZINC000329741312 378490666 /nfs/dbraw/zinc/49/06/66/378490666.db2.gz ONFGUILICWMMAL-NOZJJQNGSA-N -1 1 251.257 2.546 20 30 CFEDMM CC#CCN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000335203088 380001736 /nfs/dbraw/zinc/00/17/36/380001736.db2.gz TUOABVWGIUOTHT-UHFFFAOYSA-N -1 1 253.301 2.641 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1cn(C)nc1C1CCCCC1 ZINC000296536720 381438002 /nfs/dbraw/zinc/43/80/02/381438002.db2.gz DQVMASPZZXQDEM-UHFFFAOYSA-N -1 1 297.424 2.786 20 30 CFEDMM C=CCOCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350815809 382018611 /nfs/dbraw/zinc/01/86/11/382018611.db2.gz NWKOBSUKMDMBII-UHFFFAOYSA-N -1 1 266.684 2.798 20 30 CFEDMM COc1ccc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188220385 382369868 /nfs/dbraw/zinc/36/98/68/382369868.db2.gz XAHHCTZJXNHRFH-UHFFFAOYSA-N -1 1 296.326 2.545 20 30 CFEDMM CC[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188425801 382411938 /nfs/dbraw/zinc/41/19/38/382411938.db2.gz SZWQBBDGHLOXFT-GFCCVEGCSA-N -1 1 272.348 2.916 20 30 CFEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000353169693 382510413 /nfs/dbraw/zinc/51/04/13/382510413.db2.gz OZEBOPXIYKAAJZ-QMMMGPOBSA-N -1 1 293.310 2.737 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CC23CCCCC3)cc1[O-] ZINC000189089287 382539877 /nfs/dbraw/zinc/53/98/77/382539877.db2.gz VXNNPQYIRUGKSR-CQSZACIVSA-N -1 1 270.332 2.716 20 30 CFEDMM CC(C)(C)n1cc(/C=C2/Cc3cc([O-])ccc3C2=O)nn1 ZINC000191341063 382698755 /nfs/dbraw/zinc/69/87/55/382698755.db2.gz INMRGYZIOOWRMF-XFFZJAGNSA-N -1 1 283.331 2.561 20 30 CFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000193478531 382720301 /nfs/dbraw/zinc/72/03/01/382720301.db2.gz LYVUVSYZCZWBPL-UHFFFAOYSA-N -1 1 297.339 2.840 20 30 CFEDMM CCCN(CC(C)C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442627921 382938577 /nfs/dbraw/zinc/93/85/77/382938577.db2.gz KKJXYPNPSXNUFU-UHFFFAOYSA-N -1 1 260.337 2.772 20 30 CFEDMM C=CCCCCCN=c1nc([C@H](C)OC)[n-]s1 ZINC000566482712 383188159 /nfs/dbraw/zinc/18/81/59/383188159.db2.gz INLCADBWGPNCFY-JTQLQIEISA-N -1 1 255.387 2.826 20 30 CFEDMM CCc1cc(=O)[n-]c(SCc2ccc(C#N)s2)n1 ZINC000566689166 383201244 /nfs/dbraw/zinc/20/12/44/383201244.db2.gz PAKWLWJJBQHGQY-UHFFFAOYSA-N -1 1 277.374 2.970 20 30 CFEDMM CCc1nc(SCCCSCC#N)[n-]c(=O)c1C ZINC000514951848 383157075 /nfs/dbraw/zinc/15/70/75/383157075.db2.gz TXNPGMCPGDNKSU-UHFFFAOYSA-N -1 1 283.422 2.792 20 30 CFEDMM CC1(C)COc2c1cccc2C([O-])=C(C#N)c1ccncn1 ZINC000521389284 383294398 /nfs/dbraw/zinc/29/43/98/383294398.db2.gz HKANFDACNOYXMM-LBPRGKRZSA-N -1 1 293.326 2.637 20 30 CFEDMM C[C@@]12CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000569076953 383466182 /nfs/dbraw/zinc/46/61/82/383466182.db2.gz DRCYJCMZKUKQNS-OPNLHGRLSA-N -1 1 294.354 2.548 20 30 CFEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435427958 383774337 /nfs/dbraw/zinc/77/43/37/383774337.db2.gz PRWFKORPTLXVGA-ZCFIWIBFSA-N -1 1 298.166 2.985 20 30 CFEDMM C[C@](C#N)(NC(=O)c1ccc(C#N)c([O-])c1)C1CCCCC1 ZINC000571027210 383660387 /nfs/dbraw/zinc/66/03/87/383660387.db2.gz SUSWBDSBSCJWOG-QGZVFWFLSA-N -1 1 297.358 2.856 20 30 CFEDMM C[C@@H](C#N)CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436764885 383892922 /nfs/dbraw/zinc/89/29/22/383892922.db2.gz UTYXFXVYJFFLIZ-QMMMGPOBSA-N -1 1 286.253 2.643 20 30 CFEDMM C=CC[C@H]1N(C(=O)c2cncc([O-])c2)CCCC1(C)C ZINC000278401897 384559881 /nfs/dbraw/zinc/55/98/81/384559881.db2.gz GVORIKIREXOECT-CQSZACIVSA-N -1 1 274.364 2.994 20 30 CFEDMM C#CCCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000270961242 385283563 /nfs/dbraw/zinc/28/35/63/385283563.db2.gz XSLKXTCPTMLCEV-UHFFFAOYSA-N -1 1 278.377 2.570 20 30 CFEDMM N#C[C@@H]1CSCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000271673861 385387873 /nfs/dbraw/zinc/38/78/73/385387873.db2.gz AKCCMDRMFXXUFL-CYBMUJFWSA-N -1 1 298.367 2.627 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCc3cc(F)ccc32)cc1[O-] ZINC000190990752 393586882 /nfs/dbraw/zinc/58/68/82/393586882.db2.gz VCQLMIPUQRIKDB-OAHLLOKOSA-N -1 1 296.301 2.820 20 30 CFEDMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336625453 393744477 /nfs/dbraw/zinc/74/44/77/393744477.db2.gz HWEMRDDNTHLGMA-GZMMTYOYSA-N -1 1 298.264 2.677 20 30 CFEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H]1CC1(C)C ZINC000416276259 393894527 /nfs/dbraw/zinc/89/45/27/393894527.db2.gz MHSXFWUEXXTASI-CHWSQXEVSA-N -1 1 272.348 2.818 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000416964971 393946653 /nfs/dbraw/zinc/94/66/53/393946653.db2.gz UEQXITAWFKLELR-LLVKDONJSA-N -1 1 288.319 2.842 20 30 CFEDMM CCN(CCC#N)C(=O)c1ccc(Br)c([O-])c1 ZINC000133485880 394176863 /nfs/dbraw/zinc/17/68/63/394176863.db2.gz CWXHNCFFLOWKRN-UHFFFAOYSA-N -1 1 297.152 2.530 20 30 CFEDMM C=CCN(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC000153563124 394286691 /nfs/dbraw/zinc/28/66/91/394286691.db2.gz WFKDMNDVWQSWIR-UHFFFAOYSA-N -1 1 268.316 2.616 20 30 CFEDMM Cc1nnc(SCC(=O)c2ccc([O-])cc2)c(C#N)c1C ZINC000542829006 394716100 /nfs/dbraw/zinc/71/61/00/394716100.db2.gz OYFQROIMHFAJLY-UHFFFAOYSA-N -1 1 299.355 2.646 20 30 CFEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)C(F)(F)F ZINC000558720189 395074044 /nfs/dbraw/zinc/07/40/44/395074044.db2.gz VZQZDLLIOBLLPC-UHFFFAOYSA-N -1 1 286.253 2.582 20 30 CFEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000037377105 173166627 /nfs/dbraw/zinc/16/66/27/173166627.db2.gz OJLKMHOAAZZIBQ-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]CC(F)(F)C(C)(C)C ZINC000660108124 414663858 /nfs/dbraw/zinc/66/38/58/414663858.db2.gz QIGYDTVVKQAZHW-UHFFFAOYSA-N -1 1 269.357 2.553 20 30 CFEDMM N#CC(=C([O-])c1cncc2ccccc21)c1ccncn1 ZINC000354476600 227008369 /nfs/dbraw/zinc/00/83/69/227008369.db2.gz ZRFPGLYZHOSSNE-CYBMUJFWSA-N -1 1 274.283 2.515 20 30 CFEDMM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000040363256 260176500 /nfs/dbraw/zinc/17/65/00/260176500.db2.gz RWWITOKAMJEWIB-YFKPBYRVSA-N -1 1 299.204 2.635 20 30 CFEDMM N#CCN(C(=O)c1ccc(Cl)cc1[O-])C1CCCC1 ZINC000080212352 260178219 /nfs/dbraw/zinc/17/82/19/260178219.db2.gz JCURRIGTGOXDNH-UHFFFAOYSA-N -1 1 278.739 2.954 20 30 CFEDMM CC#CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000125955498 260344972 /nfs/dbraw/zinc/34/49/72/260344972.db2.gz LUAKVXAUSISYPA-UHFFFAOYSA-N -1 1 298.216 2.747 20 30 CFEDMM C=CCOCCCSc1nc(CC)c(C)c(=O)[n-]1 ZINC000518398530 260398456 /nfs/dbraw/zinc/39/84/56/260398456.db2.gz UWBUQKIRSRMHJM-UHFFFAOYSA-N -1 1 268.382 2.738 20 30 CFEDMM CCCN(CC#N)C(=O)c1cc(Br)ccc1[O-] ZINC000117625425 260685841 /nfs/dbraw/zinc/68/58/41/260685841.db2.gz XXXCXCZZJIOQTM-UHFFFAOYSA-N -1 1 297.152 2.530 20 30 CFEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2c([O-])cccc2F)C1 ZINC000186580688 262100988 /nfs/dbraw/zinc/10/09/88/262100988.db2.gz HDMCLQJTGOOKEI-MEBBXXQBSA-N -1 1 276.311 2.734 20 30 CFEDMM CCOc1cc(C(=O)N(C)[C@H](C)CC#N)cc(Cl)c1[O-] ZINC000186781131 262110046 /nfs/dbraw/zinc/11/00/46/262110046.db2.gz ALJVGCATZNIQBD-SECBINFHSA-N -1 1 296.754 2.818 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2CCCc3occc32)cc1[O-] ZINC000188264506 262287514 /nfs/dbraw/zinc/28/75/14/262287514.db2.gz WGUYMKORSBTYRJ-ZDUSSCGKSA-N -1 1 282.299 2.664 20 30 CFEDMM CC(C)(C#N)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289214279 263108396 /nfs/dbraw/zinc/10/83/96/263108396.db2.gz ZPJSFVZMAWSNEX-UHFFFAOYSA-N -1 1 261.256 2.674 20 30 CFEDMM COc1cc(C(=O)NC2CCOCC2)cc(Cl)c1[O-] ZINC000330876655 264060645 /nfs/dbraw/zinc/06/06/45/264060645.db2.gz KCBMLZYMCJDPON-UHFFFAOYSA-N -1 1 285.727 2.538 20 30 CFEDMM Cc1cnc(C(=O)NC[C@@]2(C)CCCS2)c([O-])c1 ZINC000330880465 264061594 /nfs/dbraw/zinc/06/15/94/264061594.db2.gz MUYPTKTWEWUQIZ-CYBMUJFWSA-N -1 1 266.366 2.686 20 30 CFEDMM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000331162444 264143177 /nfs/dbraw/zinc/14/31/77/264143177.db2.gz DAHYFCRGMLESHG-LBPRGKRZSA-N -1 1 257.293 2.507 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1[O-] ZINC000555946603 281923997 /nfs/dbraw/zinc/92/39/97/281923997.db2.gz GKJZSMFPUMKUKY-AWEZNQCLSA-N -1 1 281.315 2.569 20 30 CFEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C)C(C)C ZINC000570292354 322525048 /nfs/dbraw/zinc/52/50/48/322525048.db2.gz IOJNBPMGWRDAHH-LLVKDONJSA-N -1 1 260.337 2.770 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1[O-] ZINC000188387297 324014077 /nfs/dbraw/zinc/01/40/77/324014077.db2.gz FWELNUVSVYEQRW-GJZGRUSLSA-N -1 1 296.301 2.689 20 30 CFEDMM C=CC(C)(C)CCN=c1nc([C@H](C)OC)[n-]s1 ZINC000528075830 330305470 /nfs/dbraw/zinc/30/54/70/330305470.db2.gz UPONAZGPGLWPJK-VIFPVBQESA-N -1 1 255.387 2.682 20 30 CFEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000437524127 330702198 /nfs/dbraw/zinc/70/21/98/330702198.db2.gz JNMKVASKHFPYEK-QMTHXVAHSA-N -1 1 295.766 2.757 20 30 CFEDMM CC(C)(C#N)CCCCN1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000450986578 331010285 /nfs/dbraw/zinc/01/02/85/331010285.db2.gz PZPRANUWSBLPSS-GFCCVEGCSA-N -1 1 291.399 2.757 20 30 CFEDMM C=C(C)CCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000456127095 331185145 /nfs/dbraw/zinc/18/51/45/331185145.db2.gz YRNRHRNDYOSRJM-UHFFFAOYSA-N -1 1 269.728 2.750 20 30 CFEDMM COc1cc(C(=O)NCC(C)(C)CC#N)cc(Cl)c1[O-] ZINC000457993219 331239697 /nfs/dbraw/zinc/23/96/97/331239697.db2.gz VFPVPJARKOYGAB-UHFFFAOYSA-N -1 1 296.754 2.724 20 30 CFEDMM CC(C)(C#N)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000167201693 331308059 /nfs/dbraw/zinc/30/80/59/331308059.db2.gz RDQUZLQKINZEQC-UHFFFAOYSA-N -1 1 268.316 2.825 20 30 CFEDMM C#C[C@@H](CCC)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000491705181 332298379 /nfs/dbraw/zinc/29/83/79/332298379.db2.gz CKPQUTPCBWIYBB-NSHDSACASA-N -1 1 295.766 2.976 20 30 CFEDMM C#C[C@H](CCC)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000491705177 332298582 /nfs/dbraw/zinc/29/85/82/332298582.db2.gz CKPQUTPCBWIYBB-LLVKDONJSA-N -1 1 295.766 2.976 20 30 CFEDMM N#CC1(CNC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000576096617 335152636 /nfs/dbraw/zinc/15/26/36/335152636.db2.gz WCKCBDPCRILJKE-UHFFFAOYSA-N -1 1 266.300 2.579 20 30 CFEDMM CCOc1cc(C(=O)N[C@](C)(C#N)CC)cc(Cl)c1[O-] ZINC000546585796 334038901 /nfs/dbraw/zinc/03/89/01/334038901.db2.gz ZRLONZUOMNSANX-AWEZNQCLSA-N -1 1 296.754 2.866 20 30 CFEDMM CC(C)(NC(=O)c1ccc(C#N)c([O-])c1)c1cccs1 ZINC000336170844 519316998 /nfs/dbraw/zinc/31/69/98/519316998.db2.gz AWTCKNQBIRHZIB-UHFFFAOYSA-N -1 1 286.356 2.990 20 30 CFEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCCC1 ZINC000456652642 535872711 /nfs/dbraw/zinc/87/27/11/535872711.db2.gz FODOYBCBKRMJDC-AWEZNQCLSA-N -1 1 272.348 2.962 20 30 CFEDMM [O-]c1ccc(C=NNC(=S)NCC2CCC2)cc1Cl ZINC000727652048 574058896 /nfs/dbraw/zinc/05/88/96/574058896.db2.gz BNKANTCSZMAZKA-UHFFFAOYSA-N -1 1 297.811 2.644 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(C)c(C)c1O ZINC000728155347 574081799 /nfs/dbraw/zinc/08/17/99/574081799.db2.gz KFNGVEAWYLZIEK-UHFFFAOYSA-N -1 1 286.335 2.649 20 30 CFEDMM C#C[C@H](CC)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000754393697 574093729 /nfs/dbraw/zinc/09/37/29/574093729.db2.gz FZHWBJKXTRPXRN-SECBINFHSA-N -1 1 271.238 2.553 20 30 CFEDMM CC#CCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000744976934 574096008 /nfs/dbraw/zinc/09/60/08/574096008.db2.gz KNHJZBQZDPGMRX-UHFFFAOYSA-N -1 1 259.088 2.879 20 30 CFEDMM CCC(Cc1ccccc1)N=Nc1nc(C)cc(=O)[n-]1 ZINC000745806624 574126468 /nfs/dbraw/zinc/12/64/68/574126468.db2.gz SZSWKIJFEDHJMX-UHFFFAOYSA-N -1 1 270.336 2.911 20 30 CFEDMM Cc1cc(C=NNc2ccccc2C(=O)[O-])c(C)n1C ZINC000754916905 574127888 /nfs/dbraw/zinc/12/78/88/574127888.db2.gz HJUXJNLPNRKXAO-UHFFFAOYSA-N -1 1 271.320 2.786 20 30 CFEDMM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000755444547 574162764 /nfs/dbraw/zinc/16/27/64/574162764.db2.gz WMIGYXQZWFFEHW-LBPRGKRZSA-N -1 1 292.360 2.649 20 30 CFEDMM [O-]c1c(F)cccc1C=NNCc1cc(F)ccc1F ZINC000755650824 574175513 /nfs/dbraw/zinc/17/55/13/574175513.db2.gz NLFJDJDLOVUCGA-UHFFFAOYSA-N -1 1 280.249 2.933 20 30 CFEDMM CCON=C(C)c1ccc(Br)cc1[O-] ZINC000756823480 574265739 /nfs/dbraw/zinc/26/57/39/574265739.db2.gz NBHGIVJDFAIOFZ-UHFFFAOYSA-N -1 1 258.115 2.915 20 30 CFEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(OC)c1 ZINC000740760005 574265853 /nfs/dbraw/zinc/26/58/53/574265853.db2.gz IKXYMNMGWBVBGD-UHFFFAOYSA-N -1 1 286.335 2.725 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccccc1O ZINC000756901277 574271616 /nfs/dbraw/zinc/27/16/16/574271616.db2.gz NDSAGNYRYVDICO-UHFFFAOYSA-N -1 1 286.287 2.545 20 30 CFEDMM CC(=NO[C@@H]1CCCCO1)c1ccc([O-])c(F)c1 ZINC000755824181 574350616 /nfs/dbraw/zinc/35/06/16/574350616.db2.gz VJVZLVOWODDRAE-CYBMUJFWSA-N -1 1 253.273 2.799 20 30 CFEDMM CCn1nccc1/C=C1\Oc2cc([O-])cc(C)c2C1=O ZINC000753713035 574408545 /nfs/dbraw/zinc/40/85/45/574408545.db2.gz VYJDKYNYXIZPNY-QPEQYQDCSA-N -1 1 270.288 2.533 20 30 CFEDMM O=C([O-])c1occc1/C=C/C(=O)c1ccccc1O ZINC000833095394 601826111 /nfs/dbraw/zinc/82/61/11/601826111.db2.gz SMZNQHFXUATEMH-AATRIKPKSA-N -1 1 258.229 2.580 20 30 CFEDMM CCC[C@@H](C)C(CC)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000821014078 606237454 /nfs/dbraw/zinc/23/74/54/606237454.db2.gz BNXPPKCATBTHQW-MRVPVSSYSA-N -1 1 291.359 2.777 20 30 CFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccsc1 ZINC000822928517 606391361 /nfs/dbraw/zinc/39/13/61/606391361.db2.gz IVPKIAHILFRIAD-IWQZZHSRSA-N -1 1 288.357 2.886 20 30 CFEDMM CCCCCN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000825266728 607887571 /nfs/dbraw/zinc/88/75/71/607887571.db2.gz GZQNFXISQWZTAX-UHFFFAOYSA-N -1 1 291.359 2.740 20 30 CFEDMM O=C(C=Cc1ccsc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403250 608093220 /nfs/dbraw/zinc/09/32/20/608093220.db2.gz NKOYVJDFAHYRRC-UPHRSURJSA-N -1 1 288.357 2.886 20 30 CFEDMM O=C(C=Cc1ccsc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403250 608093221 /nfs/dbraw/zinc/09/32/21/608093221.db2.gz NKOYVJDFAHYRRC-UPHRSURJSA-N -1 1 288.357 2.886 20 30 CFEDMM N#CCCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890761396 617840451 /nfs/dbraw/zinc/84/04/51/617840451.db2.gz QIFUUINHIZMCFM-UHFFFAOYSA-N -1 1 266.728 2.746 20 30 CFEDMM C=C(Cl)CNC(=O)c1cc(Br)ccc1[O-] ZINC000077018054 618006914 /nfs/dbraw/zinc/00/69/14/618006914.db2.gz MIFJHKQXXXWSKG-UHFFFAOYSA-N -1 1 290.544 2.637 20 30 CFEDMM C=CCC(C)(C)c1noc(-c2ccc(N)cc2[O-])n1 ZINC000843234812 618180074 /nfs/dbraw/zinc/18/00/74/618180074.db2.gz JGODSGCHKIIAMX-UHFFFAOYSA-N -1 1 259.309 2.878 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NNC1C[C@H](C)O[C@@H](C)C1 ZINC000901298128 620785061 /nfs/dbraw/zinc/78/50/61/620785061.db2.gz BGSLPXMWTZBXRR-QWRGUYRKSA-N -1 1 280.343 2.719 20 30 CFEDMM Cc1ccc2ncc(/C=C\C(=O)c3cc(O)ccc3[O-])n2c1 ZINC000255684451 618263088 /nfs/dbraw/zinc/26/30/88/618263088.db2.gz KTROJCIADSPWRJ-HYXAFXHYSA-N -1 1 294.310 2.950 20 30 CFEDMM O=C(c1ocnc1C(F)F)N([O-])Cc1ccc(F)cc1 ZINC000901373197 620798052 /nfs/dbraw/zinc/79/80/52/620798052.db2.gz UJERNMVXTYGDFW-UHFFFAOYSA-N -1 1 286.209 2.783 20 30 CFEDMM C[C@@H](CN([C@@H](C)C#N)C1CC1)C(=O)c1ccc([O-])cc1 ZINC000930973055 618357309 /nfs/dbraw/zinc/35/73/09/618357309.db2.gz GEEKWYPLXFRWKQ-RYUDHWBXSA-N -1 1 272.348 2.587 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000909372011 619017868 /nfs/dbraw/zinc/01/78/68/619017868.db2.gz MFQFUUKXZHOKRT-SDBXPKJASA-N -1 1 283.274 2.590 20 30 CFEDMM C#C[C@H](CCC)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895692466 619584457 /nfs/dbraw/zinc/58/44/57/619584457.db2.gz WKPATIYDWMLUAK-LLVKDONJSA-N -1 1 280.755 2.647 20 30 CFEDMM Cc1cc(/C=C\C(=O)c2c(C)cc(C)cc2[O-])nn1C ZINC000840718383 619963695 /nfs/dbraw/zinc/96/36/95/619963695.db2.gz ARVGSNMTEJZYEB-WAYWQWQTSA-N -1 1 270.332 2.947 20 30 CFEDMM C=CC(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898096035 620337936 /nfs/dbraw/zinc/33/79/36/620337936.db2.gz MDXFEWWAASJHMC-UHFFFAOYSA-N -1 1 279.340 2.516 20 30 CFEDMM C#CCc1c(C)[n-]n(Cc2ccc(Cl)cc2)c1=O ZINC000899351524 620550802 /nfs/dbraw/zinc/55/08/02/620550802.db2.gz MQFUMXJTDFLBNK-CYBMUJFWSA-N -1 1 260.724 2.698 20 30 CFEDMM Cn1cc(/C=C\C(=O)c2cc(O)ccc2[O-])c(C2CC2)n1 ZINC000899362319 620553316 /nfs/dbraw/zinc/55/33/16/620553316.db2.gz PXMVHZHZUQUMCW-XQRVVYSFSA-N -1 1 284.315 2.605 20 30 CFEDMM Cn1nc2c(c1/C=C\C(=O)c1cc([O-])cc(F)c1)CCC2 ZINC000899414458 620565798 /nfs/dbraw/zinc/56/57/98/620565798.db2.gz VVYVPHPUYLKRSG-WAYWQWQTSA-N -1 1 286.306 2.650 20 30 CFEDMM C[C@@]1(C(=O)N([O-])Cc2ccccc2Cl)CCCO1 ZINC000904188860 621545433 /nfs/dbraw/zinc/54/54/33/621545433.db2.gz QOWIWZKBCDSXCE-ZDUSSCGKSA-N -1 1 269.728 2.627 20 30 CFEDMM CCO[C@@H](C(=O)N([O-])Cc1ccccc1Cl)C1CC1 ZINC000904192883 621546817 /nfs/dbraw/zinc/54/68/17/621546817.db2.gz ZHNPKBCQLORJJZ-CYBMUJFWSA-N -1 1 283.755 2.873 20 30 CFEDMM C=C(C)[C@@H]1OCCC[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987788 622382535 /nfs/dbraw/zinc/38/25/35/622382535.db2.gz IEXPYNYOODWLTO-XPTSAGLGSA-N -1 1 297.301 2.980 20 30 CFEDMM N#Cc1ccc(C(=O)NCCC[C@H]2C=CCC2)cc1[O-] ZINC000834326516 625609734 /nfs/dbraw/zinc/60/97/34/625609734.db2.gz GCISIRIRODGWDI-LBPRGKRZSA-N -1 1 270.332 2.740 20 30 CFEDMM C=CCCC(C)(C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000913648821 623543127 /nfs/dbraw/zinc/54/31/27/623543127.db2.gz PEASWXAAHFSACG-UHFFFAOYSA-N -1 1 289.379 2.782 20 30 CFEDMM CCCC(CC)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825232278 623654832 /nfs/dbraw/zinc/65/48/32/623654832.db2.gz FTLFUTRPFNLAQU-UHFFFAOYSA-N -1 1 291.359 2.956 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)C2CCC=CCC2)c1 ZINC000825268888 623661463 /nfs/dbraw/zinc/66/14/63/623661463.db2.gz YMWBRINMVQSKGR-UHFFFAOYSA-N -1 1 256.305 2.715 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc2c(c1)CCC2 ZINC000916241817 624230796 /nfs/dbraw/zinc/23/07/96/624230796.db2.gz WVMVDDABQIWRTQ-UHFFFAOYSA-N -1 1 282.347 2.815 20 30 CFEDMM O=C(/C=C\c1cnn(-c2ccccc2)n1)c1ccc([O-])cc1 ZINC000916545588 624253034 /nfs/dbraw/zinc/25/30/34/624253034.db2.gz PGYQMEIODRHBEP-FLIBITNWSA-N -1 1 291.310 2.869 20 30 CFEDMM CC(C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000921076451 624803778 /nfs/dbraw/zinc/80/37/78/624803778.db2.gz WJCFZMNBSKUVCD-UHFFFAOYSA-N -1 1 272.682 2.850 20 30 CFEDMM CN(Cc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830811194 624882554 /nfs/dbraw/zinc/88/25/54/624882554.db2.gz RRUIZELQFMXKNO-MRXNPFEDSA-N -1 1 298.317 2.955 20 30 CFEDMM C#CCCCCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834824981 625885824 /nfs/dbraw/zinc/88/58/24/625885824.db2.gz FAZYSLGWCZXKAQ-UHFFFAOYSA-N -1 1 265.740 2.855 20 30 CFEDMM C=CCCO[C@@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833608 625894514 /nfs/dbraw/zinc/89/45/14/625894514.db2.gz FMEGWBBPXTZMAB-JTQLQIEISA-N -1 1 283.755 2.643 20 30 CFEDMM N#Cc1ccc(SCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000769336076 625921453 /nfs/dbraw/zinc/92/14/53/625921453.db2.gz AAVCFGLNIUUPFR-UHFFFAOYSA-N -1 1 288.294 2.719 20 30 CFEDMM O=C(/C=C/c1ccc(F)nc1)c1cc(O)ccc1[O-] ZINC000186418562 626060747 /nfs/dbraw/zinc/06/07/47/626060747.db2.gz CFNNBFNDGDCZST-DAFODLJHSA-N -1 1 259.236 2.528 20 30 CFEDMM COc1cccc(NN=Cc2cccc([O-])c2Cl)n1 ZINC000814900188 626410947 /nfs/dbraw/zinc/41/09/47/626410947.db2.gz IAMXIJVSKWVNHP-UHFFFAOYSA-N -1 1 277.711 2.895 20 30 CFEDMM COc1cccc(N=NCc2cccc([O-])c2Cl)n1 ZINC000814900188 626410951 /nfs/dbraw/zinc/41/09/51/626410951.db2.gz IAMXIJVSKWVNHP-UHFFFAOYSA-N -1 1 277.711 2.895 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2nccs2)c1 ZINC000757467517 626552936 /nfs/dbraw/zinc/55/29/36/626552936.db2.gz FHHVNULGCILRTP-SNAWJCMRSA-N -1 1 261.302 2.753 20 30 CFEDMM COc1c(O)cccc1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000757467629 626552967 /nfs/dbraw/zinc/55/29/67/626552967.db2.gz HTTQYGZSRODZAB-FNORWQNLSA-N -1 1 286.283 2.708 20 30 CFEDMM Cc1noc(C)c1/C=C\C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757473673 626553174 /nfs/dbraw/zinc/55/31/74/626553174.db2.gz NULQPNRRZZKEEE-XQRVVYSFSA-N -1 1 287.271 2.591 20 30 CFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(C)(C)C ZINC000805146755 626554558 /nfs/dbraw/zinc/55/45/58/626554558.db2.gz KSPYDEOUGSNYFQ-CYBMUJFWSA-N -1 1 291.372 2.759 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(F)c3cccnc23)n1 ZINC000759179043 626633295 /nfs/dbraw/zinc/63/32/95/626633295.db2.gz HVIZCEFYIKKWHI-UHFFFAOYSA-N -1 1 297.293 2.624 20 30 CFEDMM N#Cc1cnc(NC(=O)c2cc3c(cc2[O-])CCCC3)s1 ZINC000759627307 626677969 /nfs/dbraw/zinc/67/79/69/626677969.db2.gz RPFSNNLSRLCCOM-UHFFFAOYSA-N -1 1 299.355 2.851 20 30 CFEDMM C#CCCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000760790213 626772838 /nfs/dbraw/zinc/77/28/38/626772838.db2.gz SVBXLYFSYURQAI-UHFFFAOYSA-N -1 1 269.304 2.524 20 30 CFEDMM COC(=O)c1coc(/C=C/C(=O)c2ccc([O-])cc2)c1 ZINC000763171240 626968330 /nfs/dbraw/zinc/96/83/30/626968330.db2.gz MLOMCOWPGZTIJO-VOTSOKGWSA-N -1 1 272.256 2.668 20 30 CFEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(O)c(F)c1 ZINC000764641226 627079383 /nfs/dbraw/zinc/07/93/83/627079383.db2.gz QHHQADGIWWVQOY-UHFFFAOYSA-N -1 1 290.298 2.562 20 30 CFEDMM CC(=NNc1cc(C)ccn1)c1cccc(C(=O)[O-])c1 ZINC000764696699 627084986 /nfs/dbraw/zinc/08/49/86/627084986.db2.gz RHTWQIOUFYHJJF-UHFFFAOYSA-N -1 1 269.304 2.924 20 30 CFEDMM O=C([O-])c1ccc2c(C=NOCc3ccccc3)n[nH]c2c1 ZINC000765573344 627147574 /nfs/dbraw/zinc/14/75/74/627147574.db2.gz UCYAKSDTVVSGQU-UHFFFAOYSA-N -1 1 295.298 2.812 20 30 CFEDMM CC(=NN1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000765994296 627169594 /nfs/dbraw/zinc/16/95/94/627169594.db2.gz SRMHEITWVYIKJC-UHFFFAOYSA-N -1 1 289.162 2.755 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cncc(C)c1 ZINC000767388407 627247496 /nfs/dbraw/zinc/24/74/96/627247496.db2.gz SRWMLHCPAOHJBP-UHFFFAOYSA-N -1 1 299.330 2.933 20 30 CFEDMM CC(C)N(CCC#N)C(=O)c1c([O-])cccc1Cl ZINC000769740077 627471436 /nfs/dbraw/zinc/47/14/36/627471436.db2.gz AKXWSBIWCASGSN-UHFFFAOYSA-N -1 1 266.728 2.810 20 30 CFEDMM CCOCCON=C(CC)c1ccc([O-])c(F)c1 ZINC000774432454 627925041 /nfs/dbraw/zinc/92/50/41/627925041.db2.gz JHRFXTRXXUVSRE-UHFFFAOYSA-N -1 1 255.289 2.699 20 30 CFEDMM O=C([O-])c1ccc2c(C=NOC3CCCCC3)n[nH]c2c1 ZINC000777458975 628228001 /nfs/dbraw/zinc/22/80/01/628228001.db2.gz MTBCZLFDCVWIFP-UHFFFAOYSA-N -1 1 287.319 2.944 20 30 CFEDMM [O-]c1c(F)cccc1C=NOCCC(F)(F)F ZINC000777462626 628228058 /nfs/dbraw/zinc/22/80/58/628228058.db2.gz FDMLCMNENSKWRG-UHFFFAOYSA-N -1 1 251.179 2.834 20 30 CFEDMM C#CC[C@H](NC(=O)c1ncc(C)cc1[O-])c1ccccc1 ZINC000779026768 628346820 /nfs/dbraw/zinc/34/68/20/628346820.db2.gz KPPRLMPATBYIKG-AWEZNQCLSA-N -1 1 280.327 2.590 20 30 CFEDMM CC[C@H](C#N)OC(=O)c1ccc(Br)c([O-])c1 ZINC000781198277 628532211 /nfs/dbraw/zinc/53/22/11/628532211.db2.gz UEVXZSLRYKTAAK-MRVPVSSYSA-N -1 1 284.109 2.614 20 30 CFEDMM Cc1nc(F)ccc1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000782348142 628631152 /nfs/dbraw/zinc/63/11/52/628631152.db2.gz PVZUZGHZXJLLPS-GORDUTHDSA-N -1 1 273.263 2.836 20 30 CFEDMM C=CCC(CC=C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784117198 628779177 /nfs/dbraw/zinc/77/91/77/628779177.db2.gz CZRIYPLMMGGCNY-UHFFFAOYSA-N -1 1 290.315 2.592 20 30 CFEDMM C[C@]1(C#N)CCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000784455845 628818217 /nfs/dbraw/zinc/81/82/17/628818217.db2.gz XGTIVRAWXAPWLK-QGZVFWFLSA-N -1 1 298.342 2.624 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccsc2Cl)c(=O)o1 ZINC000790207779 629220371 /nfs/dbraw/zinc/22/03/71/629220371.db2.gz DCDXNYXOHQQFJF-OTDNITJGSA-N -1 1 296.731 2.630 20 30 CFEDMM [O-]c1ccc(F)c(C=NN=c2[nH]c3ccccc3[nH]2)c1F ZINC000794463842 629648349 /nfs/dbraw/zinc/64/83/49/629648349.db2.gz MKSBYZUEQZYZRJ-UHFFFAOYSA-N -1 1 288.257 2.993 20 30 CFEDMM CC(C)n1nccc1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000794941614 629707848 /nfs/dbraw/zinc/70/78/48/629707848.db2.gz SJZKUVSWCZHSOV-HWKANZROSA-N -1 1 272.304 2.771 20 30 CFEDMM CCc1ccc2c(c1)C(=N[N-]c1ncccc1F)C(=O)N2 ZINC000794984085 629716696 /nfs/dbraw/zinc/71/66/96/629716696.db2.gz HMJPWRMIMNDTHL-UHFFFAOYSA-N -1 1 284.294 2.551 20 30 CFEDMM CCCc1occc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000798817955 630241257 /nfs/dbraw/zinc/24/12/57/630241257.db2.gz JQYJYHUJJIGHPQ-GFCCVEGCSA-N -1 1 297.314 2.588 20 30 CFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccoc1C1CC1 ZINC000798817669 630241608 /nfs/dbraw/zinc/24/16/08/630241608.db2.gz DPPJOEVURAEJHG-LBPRGKRZSA-N -1 1 295.298 2.513 20 30 CFEDMM C=CC[C@@H](CC)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000799035308 630268209 /nfs/dbraw/zinc/26/82/09/630268209.db2.gz WOBDSHJOSYHHJN-LLVKDONJSA-N -1 1 277.368 2.699 20 30 CFEDMM C=C(CC)COC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000801203783 630433756 /nfs/dbraw/zinc/43/37/56/630433756.db2.gz WKXULIYKFLPKJI-UHFFFAOYSA-N -1 1 272.304 2.701 20 30 CFEDMM CC(C)c1cccc(-n2cc([O-])c(C(=O)O[C@H](C)C#N)n2)c1 ZINC000801410275 630445671 /nfs/dbraw/zinc/44/56/71/630445671.db2.gz BMXCGNFZWJIPEG-LLVKDONJSA-N -1 1 299.330 2.770 20 30 CFEDMM C=CCCC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867205679 630939200 /nfs/dbraw/zinc/93/92/00/630939200.db2.gz BGANPKZEPGKFIH-UHFFFAOYSA-N -1 1 295.191 2.633 20 30 CFEDMM Cc1cc(/C=C\C(=O)c2c(C)cc(C)cc2[O-])n(C)n1 ZINC000841486303 631415557 /nfs/dbraw/zinc/41/55/57/631415557.db2.gz DLPBZQOOERMGNL-WAYWQWQTSA-N -1 1 270.332 2.947 20 30 CFEDMM CC(NNc1ccc(C(=O)[O-])cc1)=C1CC1(F)F ZINC000841605415 631428399 /nfs/dbraw/zinc/42/83/99/631428399.db2.gz ZSUIXZTTXUAPHF-SNVBAGLBSA-N -1 1 254.236 2.828 20 30 CFEDMM CC(C)Cn1nccc1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000843269600 631914298 /nfs/dbraw/zinc/91/42/98/631914298.db2.gz RPHWOTNZXCDULV-VIZOYTHASA-N -1 1 284.315 2.861 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCCc3sccc32)n1 ZINC000814682051 632107980 /nfs/dbraw/zinc/10/79/80/632107980.db2.gz FFEICSVKECPDQC-UHFFFAOYSA-N -1 1 274.349 2.705 20 30 CFEDMM CC(=NNc1ccccn1)c1cc(C(=O)[O-])cs1 ZINC000814729857 632115391 /nfs/dbraw/zinc/11/53/91/632115391.db2.gz DVVKZJSJQVDBPA-UHFFFAOYSA-N -1 1 261.306 2.677 20 30 CFEDMM C[C@H](NC(=S)NN=Cc1cccc([O-])c1Cl)C1CC1 ZINC000814866223 632142318 /nfs/dbraw/zinc/14/23/18/632142318.db2.gz NVBFIJFHIAMBBY-QMMMGPOBSA-N -1 1 297.811 2.642 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-][C@@H](C#N)c1ccc(F)cc1 ZINC000814874617 632145225 /nfs/dbraw/zinc/14/52/25/632145225.db2.gz XMNCCRUNLXFQSC-NSHDSACASA-N -1 1 268.238 2.718 20 30 CFEDMM CC(=NNC[C@H](C)C#N)c1ccc([O-])c(Br)c1 ZINC000844590416 632256480 /nfs/dbraw/zinc/25/64/80/632256480.db2.gz VRJKGPVKXAMZDQ-MRVPVSSYSA-N -1 1 296.168 2.628 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000816409327 632444764 /nfs/dbraw/zinc/44/47/64/632444764.db2.gz KOKAILXOCPCCHH-ZETCQYMHSA-N -1 1 259.218 2.901 20 30 CFEDMM C=CCC(C)(C)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000817456855 632640396 /nfs/dbraw/zinc/64/03/96/632640396.db2.gz GJTWHRPIDVZNLX-UHFFFAOYSA-N -1 1 291.395 2.946 20 30 CFEDMM CCn1cc(C=NNc2nc(C)cc(=O)[n-]2)c2ccccc21 ZINC000867407884 632669366 /nfs/dbraw/zinc/66/93/66/632669366.db2.gz YZNAUDZUVPMMEW-UHFFFAOYSA-N -1 1 295.346 2.911 20 30 CFEDMM C[C@]1(CCNC(=O)c2ccc(C#N)c([O-])c2)C[C@]1(F)Cl ZINC000846401335 632701932 /nfs/dbraw/zinc/70/19/32/632701932.db2.gz CBJPTAXGYYVWOD-UONOGXRCSA-N -1 1 296.729 2.698 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@]3(CC3(F)F)C2)cc1[O-] ZINC000846581679 632750320 /nfs/dbraw/zinc/75/03/20/632750320.db2.gz JDURAVSXSVYPFD-AWEZNQCLSA-N -1 1 292.285 2.525 20 30 CFEDMM CC(C)(C)CN(CCC#N)c1cc(Cl)[n-]c(=O)n1 ZINC000858457479 636250354 /nfs/dbraw/zinc/25/03/54/636250354.db2.gz QDPPCYPEPKPCNT-UHFFFAOYSA-N -1 1 268.748 2.602 20 30 CFEDMM C#CC[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000862570355 637436835 /nfs/dbraw/zinc/43/68/35/637436835.db2.gz IDLBXPAIZZSORQ-JTQLQIEISA-N -1 1 263.724 2.531 20 30 CFEDMM N#Cc1ccc(-c2cnn([C@H]3CCCCO3)c2)c([O-])c1 ZINC000863728849 637763595 /nfs/dbraw/zinc/76/35/95/637763595.db2.gz VTJSWQAQHMTAEC-OAHLLOKOSA-N -1 1 269.304 2.826 20 30 CFEDMM C#C[C@](C)(CC)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000868629109 638963484 /nfs/dbraw/zinc/96/34/84/638963484.db2.gz DLEZXSYTOMBRHD-CQSZACIVSA-N -1 1 265.740 2.506 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)C2CCC(F)(F)CC2)c1 ZINC000870690572 639773377 /nfs/dbraw/zinc/77/33/77/639773377.db2.gz APFDNPQARAPLMH-UHFFFAOYSA-N -1 1 280.274 2.794 20 30 CFEDMM C[C@H]1CCCC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690440 639773404 /nfs/dbraw/zinc/77/34/04/639773404.db2.gz OSYGCTFOXZHRHL-FZMZJTMJSA-N -1 1 258.321 2.795 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@H]2C[C@@H]2C2CCCC2)c1 ZINC000870690914 639773594 /nfs/dbraw/zinc/77/35/94/639773594.db2.gz WLOVUSLEHYRHSS-CABCVRRESA-N -1 1 270.332 2.795 20 30 CFEDMM CCC[C@@H]1C[C@H](C(=O)[N-]Oc2cccc(C#N)c2)CCO1 ZINC000870691299 639773662 /nfs/dbraw/zinc/77/36/62/639773662.db2.gz IGCAXOMYHXVJFT-ZIAGYGMSSA-N -1 1 288.347 2.564 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC000870690628 639773808 /nfs/dbraw/zinc/77/38/08/639773808.db2.gz RUCKSDAVWCXXLQ-MNOVXSKESA-N -1 1 298.264 2.947 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2C[C@H]2C2CCCC2)c1 ZINC000870690918 639773889 /nfs/dbraw/zinc/77/38/89/639773889.db2.gz WLOVUSLEHYRHSS-LSDHHAIUSA-N -1 1 270.332 2.795 20 30 CFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccco1 ZINC000193390827 650649138 /nfs/dbraw/zinc/64/91/38/650649138.db2.gz IFTYSYNQWXJKEZ-LLVKDONJSA-N -1 1 288.690 2.894 20 30 CFEDMM CCc1[n-]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1F ZINC000871957329 641529528 /nfs/dbraw/zinc/52/95/28/641529528.db2.gz RMTUKLUZRFDQDP-NSHDSACASA-N -1 1 265.675 2.662 20 30 CFEDMM C#CCn1[n-]c(-c2ccc(F)cc2Cl)c(CC)c1=O ZINC000871960481 641532196 /nfs/dbraw/zinc/53/21/96/641532196.db2.gz AFDNGSLEULIINQ-SNVBAGLBSA-N -1 1 278.714 2.685 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NCC2([C@@H]3CCCCO3)CCC2)n1 ZINC000872324297 641756190 /nfs/dbraw/zinc/75/61/90/641756190.db2.gz PDDCIOCSNZITOS-LBPRGKRZSA-N -1 1 290.367 2.628 20 30 CFEDMM N#Cc1ccc(C(=O)NCC[C@@H]2CCCC2(F)F)cc1[O-] ZINC000881584228 645058656 /nfs/dbraw/zinc/05/86/56/645058656.db2.gz RHJPELXWQUFEJU-LBPRGKRZSA-N -1 1 294.301 2.819 20 30 CFEDMM CC(C=CC(=O)c1c([O-])cc(C)oc1=O)=Cc1ccccc1 ZINC000131077578 645620328 /nfs/dbraw/zinc/62/03/28/645620328.db2.gz DNZLXYDSFMBATJ-UGWHZMKHSA-N -1 1 296.322 2.861 20 30 CFEDMM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccns1 ZINC000885285747 646654896 /nfs/dbraw/zinc/65/48/96/646654896.db2.gz QEQHZOMXRDONTL-MNOVXSKESA-N -1 1 286.422 2.556 20 30 CFEDMM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885677980 646736176 /nfs/dbraw/zinc/73/61/76/646736176.db2.gz FRHVMQMFFAPTOC-KRTXAFLBSA-N -1 1 285.702 2.714 20 30 CFEDMM C=CCC(C)(C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886268082 646941711 /nfs/dbraw/zinc/94/17/11/646941711.db2.gz CAEYATRPBCEAAT-UHFFFAOYSA-N -1 1 283.318 2.931 20 30 CFEDMM C[C@H](C[N@H+](C)[C@@H]1CCC[C@H]1C#N)C(=O)c1ccc(O)cc1 ZINC000931477153 649437880 /nfs/dbraw/zinc/43/78/80/649437880.db2.gz VXDBWOMEWYZGCS-IVMMDQJWSA-N -1 1 286.375 2.835 20 30 CFEDMM N#CC1(c2ccc(-c3ccc([P@](=O)([O-])O)cc3)cc2)CC1 ZINC001243423037 782191145 /nfs/dbraw/zinc/19/11/45/782191145.db2.gz BCBBGTUYHCWPDW-UHFFFAOYSA-N -1 1 299.266 2.712 20 30 CFEDMM N#CC1(c2ccc(-c3ccc([P@@](=O)([O-])O)cc3)cc2)CC1 ZINC001243423037 782191148 /nfs/dbraw/zinc/19/11/48/782191148.db2.gz BCBBGTUYHCWPDW-UHFFFAOYSA-N -1 1 299.266 2.712 20 30 CFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2sccc2c1 ZINC000088486509 769847824 /nfs/dbraw/zinc/84/78/24/769847824.db2.gz GKKUELZBAWUFEN-QMMMGPOBSA-N -1 1 266.347 2.555 20 30 CFEDMM Cc1c(C#N)cccc1Nc1[nH]c(=S)[n-]c(=O)c1N=O ZINC001216174570 770768739 /nfs/dbraw/zinc/76/87/39/770768739.db2.gz NPWYEQXWGWFLPL-UHFFFAOYSA-N -1 1 287.304 2.793 20 30 CFEDMM CCN(C)c1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cn1 ZINC000588580870 775152996 /nfs/dbraw/zinc/15/29/96/775152996.db2.gz RNFJWWKAAKPSOJ-NVNXTCNLSA-N -1 1 296.326 2.860 20 30 CFEDMM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCC[P@](=O)([O-])O ZINC001224603127 775223828 /nfs/dbraw/zinc/22/38/28/775223828.db2.gz VLWXHXYWUOORMC-SRVKXCTJSA-N -1 1 262.286 2.562 20 30 CFEDMM CCC1=C(Oc2cc([O-])ccc2C(C)=O)C(=O)[C@@H](C)O1 ZINC001225616560 775525317 /nfs/dbraw/zinc/52/53/17/775525317.db2.gz LTTBUKKKMCPHOI-SECBINFHSA-N -1 1 276.288 2.583 20 30 CFEDMM C=C[C@H](C#CC(C)(C)C)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664133 775547647 /nfs/dbraw/zinc/54/76/47/775547647.db2.gz KDCUVUOVFWIKED-SNVBAGLBSA-N -1 1 276.292 2.678 20 30 CFEDMM C=C[C@H](C#CC(C)(C)C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664133 775547658 /nfs/dbraw/zinc/54/76/58/775547658.db2.gz KDCUVUOVFWIKED-SNVBAGLBSA-N -1 1 276.292 2.678 20 30 CFEDMM C=C[C@@H](CCCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664088 775547741 /nfs/dbraw/zinc/54/77/41/775547741.db2.gz JDPGWIRPJFDKIH-VIFPVBQESA-N -1 1 252.270 2.819 20 30 CFEDMM [O-]/N=C/c1cccc(OC[C@@H]2Cc3ccccc3O2)c1 ZINC001226110309 775702364 /nfs/dbraw/zinc/70/23/64/775702364.db2.gz QAVWIBIVZZGYMP-ADFUCPMPSA-N -1 1 269.300 2.877 20 30 CFEDMM C=CC[C@@H](Oc1[n-]c(=S)ncc1OC)C(C)C ZINC001226245910 775752444 /nfs/dbraw/zinc/75/24/44/775752444.db2.gz KZXQVYZHNGMULM-SECBINFHSA-N -1 1 254.355 2.753 20 30 CFEDMM C#C[C@H](Oc1cc([O-])ccc1C(=O)COC)c1ccccc1 ZINC001227169466 776121862 /nfs/dbraw/zinc/12/18/62/776121862.db2.gz UAKDIMUAXAURGG-KRWDZBQOSA-N -1 1 296.322 2.975 20 30 CFEDMM O=C([O-])c1cc(/C=C\C(=O)c2ccccc2O)ccc1O ZINC000195769582 776168651 /nfs/dbraw/zinc/16/86/51/776168651.db2.gz XITJTFZQALDITA-ALCCZGGFSA-N -1 1 284.267 2.692 20 30 CFEDMM CO[C@@H](COc1ccc([O-])c(C#N)c1C#N)c1ccccc1 ZINC001227617910 776246546 /nfs/dbraw/zinc/24/65/46/776246546.db2.gz JDZKXZURWVHDDX-KRWDZBQOSA-N -1 1 294.310 2.902 20 30 CFEDMM C=CC[C@@H](Oc1[n-]c(=O)nc2c1COC2)c1ccccc1 ZINC001227686272 776256499 /nfs/dbraw/zinc/25/64/99/776256499.db2.gz KWMNOVWCBLZNKF-CQSZACIVSA-N -1 1 284.315 2.909 20 30 CFEDMM C#C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1ccccc1 ZINC001227709606 776265107 /nfs/dbraw/zinc/26/51/07/776265107.db2.gz DSRAXUIHUDOPBK-GXFFZTMASA-N -1 1 282.299 2.527 20 30 CFEDMM C[C@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1ccccc1C#N ZINC001227716553 776268975 /nfs/dbraw/zinc/26/89/75/776268975.db2.gz RQWHMNVMFHUVSN-UWVGGRQHSA-N -1 1 297.314 2.785 20 30 CFEDMM C[C@@H](Oc1cc([O-])ccc1C#N)c1ncccc1F ZINC001228007541 776359004 /nfs/dbraw/zinc/35/90/04/776359004.db2.gz RFIKDSASQSFKIS-SECBINFHSA-N -1 1 258.252 2.938 20 30 CFEDMM C[C@H](Oc1cc([O-])ccc1C#N)c1ncccc1F ZINC001228007542 776359273 /nfs/dbraw/zinc/35/92/73/776359273.db2.gz RFIKDSASQSFKIS-VIFPVBQESA-N -1 1 258.252 2.938 20 30 CFEDMM CC(C)CCOC(=O)[C@@H](C)Oc1cc([O-])ccc1C#N ZINC001228006749 776360609 /nfs/dbraw/zinc/36/06/09/776360609.db2.gz HHLZVTBZHDHDFT-LLVKDONJSA-N -1 1 277.320 2.620 20 30 CFEDMM CCOC(=O)[C@H]1CCC[C@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228008050 776361821 /nfs/dbraw/zinc/36/18/21/776361821.db2.gz VUZJTBLZFLBXHK-FZMZJTMJSA-N -1 1 289.331 2.765 20 30 CFEDMM CSc1nc(O[C@H](C)C#C[Si](C)(C)C)cc(=O)[n-]1 ZINC001228095286 776395465 /nfs/dbraw/zinc/39/54/65/776395465.db2.gz QVFDUNCNDCIQJC-SECBINFHSA-N -1 1 282.441 2.552 20 30 CFEDMM C#C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])[C@@H](CC)CCCC ZINC001228142695 776407994 /nfs/dbraw/zinc/40/79/94/776407994.db2.gz GRPYIWDDZSCYAJ-QWRGUYRKSA-N -1 1 293.323 2.687 20 30 CFEDMM C=C[C@H](CCCCCCC)Oc1nc(C(=O)OC)n[n-]1 ZINC001228311739 776454319 /nfs/dbraw/zinc/45/43/19/776454319.db2.gz OANZPVCSXZIPBO-LLVKDONJSA-N -1 1 281.356 2.885 20 30 CFEDMM C=C[C@H](CCCCCCC)Oc1n[n-]c(C(=O)OC)n1 ZINC001228311739 776454325 /nfs/dbraw/zinc/45/43/25/776454325.db2.gz OANZPVCSXZIPBO-LLVKDONJSA-N -1 1 281.356 2.885 20 30 CFEDMM O=C1C=C[C@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229406130 776802804 /nfs/dbraw/zinc/80/28/04/776802804.db2.gz KWTUQGDVZAMIGB-ZETCQYMHSA-N -1 1 259.088 2.975 20 30 CFEDMM CCOC(=O)[C@@H]1CC[C@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229736398 776882610 /nfs/dbraw/zinc/88/26/10/776882610.db2.gz BGVBEFPUOWMAKV-GWMMYCTHSA-N -1 1 291.347 2.995 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@@H](C)c1ncccn1 ZINC001229739100 776884107 /nfs/dbraw/zinc/88/41/07/776884107.db2.gz CBOVMXKVSGUYDP-MUOOZZNISA-N -1 1 257.293 2.815 20 30 CFEDMM C#C[C@@H]1CCC[C@H]1Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229754029 776888953 /nfs/dbraw/zinc/88/89/53/776888953.db2.gz KCIMQUJXVXADNR-ZWNOBZJWSA-N -1 1 261.277 2.790 20 30 CFEDMM C=CC[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(C)C ZINC001231265116 777180966 /nfs/dbraw/zinc/18/09/66/777180966.db2.gz YMWDWYFHSKXWTJ-NSHDSACASA-N -1 1 266.297 2.983 20 30 CFEDMM N#C[C@@H]1CCCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232267722 777499504 /nfs/dbraw/zinc/49/95/04/777499504.db2.gz KVHPTTHWFQILIR-JTQLQIEISA-N -1 1 266.728 2.629 20 30 CFEDMM O=C1C=C2CN(Cc3cccc([O-])c3Cl)CC[C@@H]2S1 ZINC001232785906 777668035 /nfs/dbraw/zinc/66/80/35/777668035.db2.gz KTXPZEUDEZMEMS-LBPRGKRZSA-N -1 1 295.791 2.820 20 30 CFEDMM C#C[C@H]1CCCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232936794 777727038 /nfs/dbraw/zinc/72/70/38/777727038.db2.gz GPMHUUCANRAAJP-JTQLQIEISA-N -1 1 251.276 2.516 20 30 CFEDMM N#C[C@@H]1CCCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232935685 777727149 /nfs/dbraw/zinc/72/71/49/777727149.db2.gz VMKRIKWUWRDDKB-SNVBAGLBSA-N -1 1 266.291 2.796 20 30 CFEDMM CCCCN(CC#N)Cc1ccc(F)c([O-])c1F ZINC001232937755 777729151 /nfs/dbraw/zinc/72/91/51/777729151.db2.gz UOZODKRQAHPUBM-UHFFFAOYSA-N -1 1 254.280 2.796 20 30 CFEDMM N#Cc1ccc2c(c1)CCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233033060 777770089 /nfs/dbraw/zinc/77/00/89/777770089.db2.gz YSYCHXGKGDVNAM-UHFFFAOYSA-N -1 1 299.761 2.871 20 30 CFEDMM CN(CCC#N)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415835 777944614 /nfs/dbraw/zinc/94/46/14/777944614.db2.gz JYDXHLROJSIQIZ-UHFFFAOYSA-N -1 1 258.243 2.756 20 30 CFEDMM N#Cc1ccc(CN2Cc3cccc(F)c3C2)c([O-])c1 ZINC001233386076 777927301 /nfs/dbraw/zinc/92/73/01/777927301.db2.gz FMIWKOIWAMPMAF-UHFFFAOYSA-N -1 1 268.291 2.919 20 30 CFEDMM N#Cc1ccc(CN2CC(Oc3ccccc3F)C2)c([O-])c1 ZINC001233386701 777929159 /nfs/dbraw/zinc/92/91/59/777929159.db2.gz FMZPZDHZFWPSAY-UHFFFAOYSA-N -1 1 298.317 2.666 20 30 CFEDMM C#C[C@H](CC)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233498390 777970317 /nfs/dbraw/zinc/97/03/17/777970317.db2.gz LTPQORXNZKJHIM-SSDOTTSWSA-N -1 1 279.683 2.915 20 30 CFEDMM CC#C[C@@H](CC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234046202 778151633 /nfs/dbraw/zinc/15/16/33/778151633.db2.gz ZMMVNFCTHWCUCA-SNVBAGLBSA-N -1 1 272.304 2.530 20 30 CFEDMM CCCCCCC[C@@H](C)Oc1c(C(N)=O)nc(C)[n-]c1=O ZINC001234470910 778232140 /nfs/dbraw/zinc/23/21/40/778232140.db2.gz ZHCLHLHRBBYUCV-SNVBAGLBSA-N -1 1 295.383 2.717 20 30 CFEDMM C=CC[C@H](CCC)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234564186 778253790 /nfs/dbraw/zinc/25/37/90/778253790.db2.gz ADKFYYNKBYKKFN-SNVBAGLBSA-N -1 1 293.367 2.528 20 30 CFEDMM C=CC[C@@H](CCC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234608124 778263578 /nfs/dbraw/zinc/26/35/78/778263578.db2.gz JBFKKTLFNFMQMT-VIFPVBQESA-N -1 1 283.299 2.837 20 30 CFEDMM [O-]/N=C/c1cc(N[C@H]2C[C@@H](CO)C2)cc(C(F)(F)F)c1 ZINC001168247742 778272425 /nfs/dbraw/zinc/27/24/25/778272425.db2.gz SRQPEQNZOFVPID-YHKCNRNXSA-N -1 1 288.269 2.696 20 30 CFEDMM [O-]N=Cc1ccccc1O[C@@H]1CCCC2(C1)OCCO2 ZINC001234818585 778300277 /nfs/dbraw/zinc/30/02/77/778300277.db2.gz BXNILDFVSSETDD-CYBMUJFWSA-N -1 1 277.320 2.559 20 30 CFEDMM COC(=O)[C@H]1CCC[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234819864 778301622 /nfs/dbraw/zinc/30/16/22/778301622.db2.gz PXMNJTCWNSFVHG-AAEUAGOBSA-N -1 1 277.320 2.605 20 30 CFEDMM C[C@]1(C(=O)N([O-])C(=N)c2ccccc2N)CC=CCC1 ZINC001142547550 778407539 /nfs/dbraw/zinc/40/75/39/778407539.db2.gz ACPWUZRGXKQMQF-HNNXBMFYSA-N -1 1 273.336 2.558 20 30 CFEDMM COc1cc(C#N)nc(-c2cc([O-])cc(Cl)c2)c1 ZINC001235900565 778599329 /nfs/dbraw/zinc/59/93/29/778599329.db2.gz PDZPJDJWORORJS-UHFFFAOYSA-N -1 1 260.680 2.988 20 30 CFEDMM N#Cc1cc(C(F)(F)F)cc(-c2cncc([O-])c2)n1 ZINC001236574686 778879825 /nfs/dbraw/zinc/87/98/25/778879825.db2.gz VZDRTOVKBVEEKQ-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2C#N)c1 ZINC001236674166 778907671 /nfs/dbraw/zinc/90/76/71/778907671.db2.gz VWMDGJINUQIQLD-NSHDSACASA-N -1 1 295.180 2.951 20 30 CFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc(C#N)cs1 ZINC000176460187 779177391 /nfs/dbraw/zinc/17/73/91/779177391.db2.gz MSDLSAASVWNAOZ-GFCCVEGCSA-N -1 1 295.323 2.581 20 30 CFEDMM N#CCC1CN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238305122 779291740 /nfs/dbraw/zinc/29/17/40/779291740.db2.gz KZIPLFWZMHRGQP-UHFFFAOYSA-N -1 1 299.143 2.639 20 30 CFEDMM N#C[C@H]1CCN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238309535 779292827 /nfs/dbraw/zinc/29/28/27/779292827.db2.gz QEKFXNNWAYXLGR-MRVPVSSYSA-N -1 1 299.143 2.639 20 30 CFEDMM N#Cc1nc(-c2cccc(C=CC(=O)[O-])c2)cc2[nH]cnc21 ZINC001240545443 780239802 /nfs/dbraw/zinc/23/98/02/780239802.db2.gz ASNNGTDUTAOPDP-SNAWJCMRSA-N -1 1 290.282 2.594 20 30 CFEDMM COc1cc(-c2ccc(/C=N/[O-])c(F)c2)cnc1OC ZINC001240621900 780299807 /nfs/dbraw/zinc/29/98/07/780299807.db2.gz ICOBYRVWIUFBMD-CAOOACKPSA-N -1 1 276.267 2.713 20 30 CFEDMM C=CCNC(=O)c1cccnc1-c1c(F)cc([O-])cc1F ZINC001241120269 780648908 /nfs/dbraw/zinc/64/89/08/780648908.db2.gz OGHRPJYVGCSMBL-UHFFFAOYSA-N -1 1 290.269 2.648 20 30 CFEDMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1C#N ZINC001241122490 780651370 /nfs/dbraw/zinc/65/13/70/780651370.db2.gz POONQKYRTAZJHG-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM N#Cc1cnc2cc[nH]c(-c3cc([O-])cc(F)c3)c1-2 ZINC001241262555 780742344 /nfs/dbraw/zinc/74/23/44/780742344.db2.gz OMKKZRFPTLWTNQ-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM N#Cc1c(F)ccnc1-c1c(F)ccc([O-])c1F ZINC001241289618 780760165 /nfs/dbraw/zinc/76/01/65/780760165.db2.gz WQSJXCLVRXECFY-UHFFFAOYSA-N -1 1 250.179 2.743 20 30 CFEDMM N#Cc1cnn(-c2ccccn2)c1Nc1cccc([O-])c1F ZINC001212547469 781039191 /nfs/dbraw/zinc/03/91/91/781039191.db2.gz OKEMPGOHRQABEY-UHFFFAOYSA-N -1 1 295.277 2.727 20 30 CFEDMM N#CCc1nccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242150941 781302860 /nfs/dbraw/zinc/30/28/60/781302860.db2.gz ALSUTUOLKPSAED-UHFFFAOYSA-N -1 1 279.221 2.934 20 30 CFEDMM CSc1ncc(C#N)c(-c2cccc(C)c2[O-])n1 ZINC001242343978 781416386 /nfs/dbraw/zinc/41/63/86/781416386.db2.gz KYZSOLOENJCHBW-UHFFFAOYSA-N -1 1 257.318 2.751 20 30 CFEDMM COCCCn1cc(-c2cc(/C=N/[O-])ccc2F)cn1 ZINC001242489799 781542583 /nfs/dbraw/zinc/54/25/83/781542583.db2.gz YZYJDTIZVBAKPL-CAOOACKPSA-N -1 1 277.299 2.534 20 30 CFEDMM COc1cnc(-c2ccc([O-])c(C#N)c2)nc1NC(C)C ZINC001242562113 781599621 /nfs/dbraw/zinc/59/96/21/781599621.db2.gz HSUKMOZCRTYOFE-UHFFFAOYSA-N -1 1 284.319 2.550 20 30 CFEDMM CC1CCN(c2cncc(-c3ccc([O-])c(C#N)c3)n2)CC1 ZINC001242563069 781601190 /nfs/dbraw/zinc/60/11/90/781601190.db2.gz OLEVLRSKVDRJFL-UHFFFAOYSA-N -1 1 294.358 2.957 20 30 CFEDMM N#Cc1cc(-c2nc(C(N)=O)cc3ccccc32)ccc1[O-] ZINC001242562974 781601316 /nfs/dbraw/zinc/60/13/16/781601316.db2.gz LYCWINYTIJMQMC-UHFFFAOYSA-N -1 1 289.294 2.578 20 30 CFEDMM COc1cccc2ncnc(-c3ccc([O-])c(C#N)c3)c21 ZINC001242562989 781601334 /nfs/dbraw/zinc/60/13/34/781601334.db2.gz MRFYCEVYZRABOX-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM CC1CCN(c2ccc(-c3ccc([O-])c(C#N)c3)nn2)CC1 ZINC001242563660 781602400 /nfs/dbraw/zinc/60/24/00/781602400.db2.gz URAAQDKNBSFBHD-UHFFFAOYSA-N -1 1 294.358 2.957 20 30 CFEDMM COC(OC)c1cc(C)cnc1-c1ccc([O-])c(C#N)c1 ZINC001242563553 781602593 /nfs/dbraw/zinc/60/25/93/781602593.db2.gz GWODUZUNJNZBQR-UHFFFAOYSA-N -1 1 284.315 2.926 20 30 CFEDMM N#Cc1cc(-c2ccc(OC(F)F)nc2)ccc1[O-] ZINC001242564742 781603275 /nfs/dbraw/zinc/60/32/75/781603275.db2.gz RFJDQDWSXZYPHI-UHFFFAOYSA-N -1 1 262.215 2.927 20 30 CFEDMM N#Cc1cc(-c2cnc3scnc3c2)ccc1[O-] ZINC001242564715 781603609 /nfs/dbraw/zinc/60/36/09/781603609.db2.gz PUWTWGJDJLYVPG-UHFFFAOYSA-N -1 1 253.286 2.936 20 30 CFEDMM CN(C)C(=O)c1ccc(F)c(-c2ccc([O-])c(C#N)c2)c1 ZINC001242566117 781604714 /nfs/dbraw/zinc/60/47/14/781604714.db2.gz JOUKWFFPIOKXNH-UHFFFAOYSA-N -1 1 284.290 2.772 20 30 CFEDMM N#Cc1cc(-c2cccc3c2NC(=O)C32CC2)ccc1[O-] ZINC001242565289 781605067 /nfs/dbraw/zinc/60/50/67/781605067.db2.gz VSRJBVNPPHKTBY-UHFFFAOYSA-N -1 1 276.295 2.915 20 30 CFEDMM COc1nc(OC)c(-c2ccc([O-])c(C#N)c2)cc1C ZINC001242566323 781606270 /nfs/dbraw/zinc/60/62/70/781606270.db2.gz SZHZAEJGMPMHEE-UHFFFAOYSA-N -1 1 270.288 2.652 20 30 CFEDMM CC(C)Cn1cc(-c2ccc([O-])c(C#N)c2)ccc1=O ZINC001242566629 781606493 /nfs/dbraw/zinc/60/64/93/781606493.db2.gz IKFZKFWZCHLZGO-UHFFFAOYSA-N -1 1 268.316 2.749 20 30 CFEDMM N#Cc1cncc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242779808 781757558 /nfs/dbraw/zinc/75/75/58/781757558.db2.gz CBABDBXJZRZNOQ-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM CCc1cc(=O)[n-]c(SCCc2ccc(C#N)cc2)n1 ZINC000594895392 349497602 /nfs/dbraw/zinc/49/76/02/349497602.db2.gz RZZCLBNDFQAXLN-UHFFFAOYSA-N -1 1 285.372 2.951 20 30 CFEDMM C=CCCC[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093533527 347678826 /nfs/dbraw/zinc/67/88/26/347678826.db2.gz LNNOBJVKVHBTSX-UHFFFAOYSA-N -1 1 250.298 2.698 20 30 CFEDMM N#C[C@]1(NC(=O)c2ccc3ccccc3c2[O-])CCSC1 ZINC000124535594 347824687 /nfs/dbraw/zinc/82/46/87/347824687.db2.gz SPHARDIEVSMPMF-MRXNPFEDSA-N -1 1 298.367 2.674 20 30 CFEDMM C=CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000341026000 348455840 /nfs/dbraw/zinc/45/58/40/348455840.db2.gz ARGNHROLYIQIAG-UHFFFAOYSA-N -1 1 277.748 2.724 20 30 CFEDMM CC(C)C[C@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589174495 348816278 /nfs/dbraw/zinc/81/62/78/348816278.db2.gz ZCDFOTDKZTZZPG-CQSZACIVSA-N -1 1 272.348 2.915 20 30 CFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCCC1 ZINC000589181306 348817036 /nfs/dbraw/zinc/81/70/36/348817036.db2.gz LMYMSQVYTJCHOH-SNVBAGLBSA-N -1 1 258.321 2.572 20 30 CFEDMM Cc1cnc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000589188015 348818047 /nfs/dbraw/zinc/81/80/47/348818047.db2.gz FWOBVQZUBPUYAJ-VIFPVBQESA-N -1 1 287.344 2.520 20 30 CFEDMM Cc1cc(F)ccc1CCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589188882 348818143 /nfs/dbraw/zinc/81/81/43/348818143.db2.gz SLTGTWMEKRQSNK-UHFFFAOYSA-N -1 1 298.317 2.684 20 30 CFEDMM CC(C)N(Cc1ccco1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589195098 348818149 /nfs/dbraw/zinc/81/81/49/348818149.db2.gz JWLFWTGLGVEPLX-UHFFFAOYSA-N -1 1 284.315 2.908 20 30 CFEDMM CS[C@H]1CCCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589192530 348818272 /nfs/dbraw/zinc/81/82/72/348818272.db2.gz HHWCKXLDMXVSMH-AWEZNQCLSA-N -1 1 290.388 2.622 20 30 CFEDMM Cc1cccc(C)c1CCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589190450 348818362 /nfs/dbraw/zinc/81/83/62/348818362.db2.gz UIIKHMOVEIIPIK-UHFFFAOYSA-N -1 1 294.354 2.853 20 30 CFEDMM CC1(C)CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589196877 348819000 /nfs/dbraw/zinc/81/90/00/348819000.db2.gz KOJBCOYSHMIPCS-GFCCVEGCSA-N -1 1 258.321 2.572 20 30 CFEDMM CN(C[C@H]1CC=CCC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589202152 348819599 /nfs/dbraw/zinc/81/95/99/348819599.db2.gz YKCHMIQSOIFEGA-LBPRGKRZSA-N -1 1 270.332 2.692 20 30 CFEDMM CSCCCCCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589207602 348820067 /nfs/dbraw/zinc/82/00/67/348820067.db2.gz HDCZZSFNPNHAEH-UHFFFAOYSA-N -1 1 278.377 2.527 20 30 CFEDMM N#Cc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000589453870 348833827 /nfs/dbraw/zinc/83/38/27/348833827.db2.gz DSSZBNBAHASCHS-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000589651811 348850051 /nfs/dbraw/zinc/85/00/51/348850051.db2.gz QUXRJDOCAHPTIR-OAHLLOKOSA-N -1 1 282.343 2.669 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC2(C(F)F)CCCC2)c1 ZINC000589949236 348864705 /nfs/dbraw/zinc/86/47/05/348864705.db2.gz XSWVALHDRPEGDF-UHFFFAOYSA-N -1 1 280.274 2.572 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000590509377 348907378 /nfs/dbraw/zinc/90/73/78/348907378.db2.gz BYYIQWBNHOJILA-RDJZCZTQSA-N -1 1 292.338 2.797 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000591088415 348986529 /nfs/dbraw/zinc/98/65/29/348986529.db2.gz XMCBGUDIXUUWSS-XJKSGUPXSA-N -1 1 284.359 2.820 20 30 CFEDMM CC(C)(NC(=O)c1cc([O-])cc(C#N)c1)C1CCC1 ZINC000590872488 348960515 /nfs/dbraw/zinc/96/05/15/348960515.db2.gz SREUPEWZTIEHCO-UHFFFAOYSA-N -1 1 258.321 2.572 20 30 CFEDMM CCC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCC1 ZINC000590922277 348967110 /nfs/dbraw/zinc/96/71/10/348967110.db2.gz ANJSDYNYBVLVBG-HNNXBMFYSA-N -1 1 272.348 2.962 20 30 CFEDMM C=C(C)CN(CC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732455 349316103 /nfs/dbraw/zinc/31/61/03/349316103.db2.gz NIZYCJNAABCSIW-UHFFFAOYSA-N -1 1 278.308 2.691 20 30 CFEDMM C=CCCCCCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000594399381 349414488 /nfs/dbraw/zinc/41/44/88/349414488.db2.gz UGDHHCZISVEGPL-UHFFFAOYSA-N -1 1 258.321 2.740 20 30 CFEDMM N#CCCN(CC1CC1)C(=O)c1ncc2ccccc2c1[O-] ZINC000597142247 350037976 /nfs/dbraw/zinc/03/79/76/350037976.db2.gz ODGYYUIIZWNISM-UHFFFAOYSA-N -1 1 295.342 2.706 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCCC2CCC2)c1 ZINC000598214444 350215969 /nfs/dbraw/zinc/21/59/69/350215969.db2.gz ARXQMHUOSLUCQV-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM C[C@H](C#N)N(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000598136700 350208330 /nfs/dbraw/zinc/20/83/30/350208330.db2.gz IJAUJJVEPMCBSR-MRVPVSSYSA-N -1 1 298.264 2.928 20 30 CFEDMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)c([O-])c1 ZINC000598445840 350270222 /nfs/dbraw/zinc/27/02/22/350270222.db2.gz SVRFABOLJTZBCC-FTNCPSPGSA-N -1 1 270.332 2.667 20 30 CFEDMM C[C@H]1CCc2[n-]n(Cc3cccc(C#N)c3)c(=O)c2C1 ZINC000601944567 350812636 /nfs/dbraw/zinc/81/26/36/350812636.db2.gz LNPMEFWBIXTWJC-SMDDNHRTSA-N -1 1 267.332 2.693 20 30 CFEDMM CCn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000604005519 351196563 /nfs/dbraw/zinc/19/65/63/351196563.db2.gz ZTGGDYYMIJDPAC-CQSZACIVSA-N -1 1 290.326 2.941 20 30 CFEDMM Cc1cc(C#N)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000119256452 186813622 /nfs/dbraw/zinc/81/36/22/186813622.db2.gz CWOXOUZNTGLOPD-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM N#Cc1cccc(C2(NC(=O)c3ccc([O-])c(F)c3)CC2)c1 ZINC000613517561 351974282 /nfs/dbraw/zinc/97/42/82/351974282.db2.gz LLNCHQQNEMIBER-UHFFFAOYSA-N -1 1 296.301 2.822 20 30 CFEDMM CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccncc1 ZINC000614299166 352077103 /nfs/dbraw/zinc/07/71/03/352077103.db2.gz YPLRYGDFKGTCDX-OAHLLOKOSA-N -1 1 281.315 2.540 20 30 CFEDMM CCS[C@H]1CCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614300520 352077122 /nfs/dbraw/zinc/07/71/22/352077122.db2.gz IZXCYRNHYUQZRX-KGLIPLIRSA-N -1 1 290.388 2.668 20 30 CFEDMM Cc1cccc(N(C)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614368419 352085823 /nfs/dbraw/zinc/08/58/23/352085823.db2.gz OKMJDXWMDOKSIM-UHFFFAOYSA-N -1 1 266.300 2.849 20 30 CFEDMM CCC[C@H]1SCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000614370042 352086117 /nfs/dbraw/zinc/08/61/17/352086117.db2.gz YJXWNHFXJDNJGX-CYBMUJFWSA-N -1 1 276.361 2.579 20 30 CFEDMM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000615478508 352198276 /nfs/dbraw/zinc/19/82/76/352198276.db2.gz AOJOIIWDJXUXMS-WMZOPIPTSA-N -1 1 292.338 2.724 20 30 CFEDMM Cc1cc2n[nH]cc2cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000616527010 352365746 /nfs/dbraw/zinc/36/57/46/352365746.db2.gz OTBCHJYYQLXEBJ-UHFFFAOYSA-N -1 1 292.298 2.701 20 30 CFEDMM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000617042530 352478086 /nfs/dbraw/zinc/47/80/86/352478086.db2.gz SKAHQWRFSBMXMU-SMDDNHRTSA-N -1 1 260.337 2.652 20 30 CFEDMM C=CCN(C(=O)c1cc(Cl)ccc1[O-])[C@@H](C)COC ZINC000617576609 352594105 /nfs/dbraw/zinc/59/41/05/352594105.db2.gz XYUXUQBZJLRZDL-JTQLQIEISA-N -1 1 283.755 2.709 20 30 CFEDMM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc([O-])cc1F ZINC000618891617 352906347 /nfs/dbraw/zinc/90/63/47/352906347.db2.gz AZMANLKHOPFNDF-MRXNPFEDSA-N -1 1 296.301 2.820 20 30 CFEDMM Cc1cscc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000618871740 352900528 /nfs/dbraw/zinc/90/05/28/352900528.db2.gz JFEOKEZFWXXBFW-UHFFFAOYSA-N -1 1 272.329 2.564 20 30 CFEDMM Cc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1F ZINC000619809049 353067326 /nfs/dbraw/zinc/06/73/26/353067326.db2.gz MJVSRGRLJSRLCX-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])c(F)c1 ZINC000620305840 353149243 /nfs/dbraw/zinc/14/92/43/353149243.db2.gz SQFAQWIBUIQDNS-TXEJJXNPSA-N -1 1 261.296 2.855 20 30 CFEDMM N#Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CC2)cc1[O-] ZINC000442967628 283128738 /nfs/dbraw/zinc/12/87/38/283128738.db2.gz PJZBZNYQEWBOLA-UHFFFAOYSA-N -1 1 296.301 2.822 20 30 CFEDMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000007056380 540932163 /nfs/dbraw/zinc/93/21/63/540932163.db2.gz SKJJSCMXNKLVRX-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM CC1(C)CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000442923992 241022281 /nfs/dbraw/zinc/02/22/81/241022281.db2.gz JOORSFNPOMGLAV-ZDUSSCGKSA-N -1 1 272.348 2.962 20 30 CFEDMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442938460 241024382 /nfs/dbraw/zinc/02/43/82/241024382.db2.gz ABLDXPCKYYKQIW-INIZCTEOSA-N -1 1 292.338 2.990 20 30 CFEDMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C[C@@H]1C ZINC000443109179 241040550 /nfs/dbraw/zinc/04/05/50/241040550.db2.gz OVVRDCSHDSEEIU-UHIISALHSA-N -1 1 272.348 2.818 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1[O-] ZINC000443270310 241049063 /nfs/dbraw/zinc/04/90/63/241049063.db2.gz HOXCHVSMHWBUDX-CVEARBPZSA-N -1 1 292.338 2.625 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1[O-] ZINC000443287069 241050626 /nfs/dbraw/zinc/05/06/26/241050626.db2.gz IVGXMAXZRHOTKA-LALPHHSUSA-N -1 1 284.359 2.962 20 30 CFEDMM C=C(C)CS(=O)(=O)[N-]c1cccc2c(OC)ccnc12 ZINC000574373460 335014126 /nfs/dbraw/zinc/01/41/26/335014126.db2.gz UYCCTKPTTHJLCX-UHFFFAOYSA-N -1 1 292.360 2.561 20 30 CFEDMM CCC1(CNC(=O)c2ccc(C#N)c([O-])c2)CCC1 ZINC000332481522 204740402 /nfs/dbraw/zinc/74/04/02/204740402.db2.gz PZQAYIRYTWDICH-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM CN(CCC#N)C(=O)c1ccc2ccccc2c1[O-] ZINC000019833794 372191944 /nfs/dbraw/zinc/19/19/44/372191944.db2.gz GRGGYVIUOBDOEG-UHFFFAOYSA-N -1 1 254.289 2.531 20 30 CFEDMM CC[C@@H](CC#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000054177165 373502191 /nfs/dbraw/zinc/50/21/91/373502191.db2.gz LMZIGEDRKAHLEZ-LBPRGKRZSA-N -1 1 268.316 2.967 20 30 CFEDMM C=CCO[N-]C(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000529469291 383705489 /nfs/dbraw/zinc/70/54/89/383705489.db2.gz QUYWDVMKCKRUDF-CQSZACIVSA-N -1 1 294.782 2.538 20 30 CFEDMM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1ccccn1 ZINC000121506047 376846239 /nfs/dbraw/zinc/84/62/39/376846239.db2.gz RFOOGSRWQYWHQH-CYBMUJFWSA-N -1 1 280.331 2.883 20 30 CFEDMM C=CCN(Cc1cccs1)C(=O)c1ncccc1[O-] ZINC000122685322 376937592 /nfs/dbraw/zinc/93/75/92/376937592.db2.gz UNFRLTXEUUAOBF-UHFFFAOYSA-N -1 1 274.345 2.677 20 30 CFEDMM C=CCN(CC=C)C(=O)c1ccc(Br)c([O-])c1 ZINC000128942856 377364745 /nfs/dbraw/zinc/36/47/45/377364745.db2.gz WRNQPYQCVNHCRU-UHFFFAOYSA-N -1 1 296.164 2.969 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC3(C2)CCCCC3)cc1[O-] ZINC000334480517 379374420 /nfs/dbraw/zinc/37/44/20/379374420.db2.gz VDBWYNXQSXRRBE-UHFFFAOYSA-N -1 1 270.332 2.670 20 30 CFEDMM N#Cc1ccc(CNCc2ccc(O)c(F)c2)s1 ZINC000176973579 380288696 /nfs/dbraw/zinc/28/86/96/380288696.db2.gz CESOLYHVRZEQGY-UHFFFAOYSA-N -1 1 262.309 2.754 20 30 CFEDMM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336611491 380546543 /nfs/dbraw/zinc/54/65/43/380546543.db2.gz KRAAWZAVNMHVAQ-AWEZNQCLSA-N -1 1 272.348 2.915 20 30 CFEDMM N#C[C@H](NC(=O)c1ccc([O-])cc1F)C1CCCCC1 ZINC000182020348 380967647 /nfs/dbraw/zinc/96/76/47/380967647.db2.gz SFJIOVTUOCQTBK-AWEZNQCLSA-N -1 1 276.311 2.734 20 30 CFEDMM C=CCN(Cc1ccccc1)C(=O)c1ncc(C)cc1[O-] ZINC000358622475 380974459 /nfs/dbraw/zinc/97/44/59/380974459.db2.gz CNYRNLZPEGESJH-UHFFFAOYSA-N -1 1 282.343 2.924 20 30 CFEDMM CCOc1cc(C(=O)N[C@@H](CC)CC#N)cc(Cl)c1[O-] ZINC000183922229 381341767 /nfs/dbraw/zinc/34/17/67/381341767.db2.gz BEUGAUHCTPGFDH-JTQLQIEISA-N -1 1 296.754 2.866 20 30 CFEDMM Cn1cc(C([O-])=C(C#N)c2ccncn2)c2cc(F)ccc21 ZINC000361792639 381862807 /nfs/dbraw/zinc/86/28/07/381862807.db2.gz OQLVBPVQTOYSGL-LBPRGKRZSA-N -1 1 294.289 2.597 20 30 CFEDMM CN(CCCc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188309549 382389066 /nfs/dbraw/zinc/38/90/66/382389066.db2.gz GTHICWZBTUVLHL-UHFFFAOYSA-N -1 1 294.354 2.969 20 30 CFEDMM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188502553 382426485 /nfs/dbraw/zinc/42/64/85/382426485.db2.gz QYLPYQYMMDGQAR-BXUZGUMPSA-N -1 1 272.348 2.962 20 30 CFEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccncc1 ZINC000188548714 382433955 /nfs/dbraw/zinc/43/39/55/382433955.db2.gz VWLGYCHLXLUIPI-AWEZNQCLSA-N -1 1 281.315 2.540 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@H]2CCc3ccccc32)cc1[O-] ZINC000188380276 382403302 /nfs/dbraw/zinc/40/33/02/382403302.db2.gz BMVHKUMSSJGYHC-OAHLLOKOSA-N -1 1 292.338 2.724 20 30 CFEDMM CCCC1(CNC(=O)c2ccc(C#N)c([O-])c2)CCC1 ZINC000188733729 382466502 /nfs/dbraw/zinc/46/65/02/382466502.db2.gz QQDUOJWIXQZYED-UHFFFAOYSA-N -1 1 272.348 2.964 20 30 CFEDMM CC(C)CSCCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000189024242 382527057 /nfs/dbraw/zinc/52/70/57/382527057.db2.gz NVDPZIPAXTZDHO-UHFFFAOYSA-N -1 1 292.404 2.773 20 30 CFEDMM N#CC(=C([O-])c1ccccc1OC1CCC1)c1ccncn1 ZINC000680617683 542342675 /nfs/dbraw/zinc/34/26/75/542342675.db2.gz BAEKLYCEBNPMEJ-AWEZNQCLSA-N -1 1 293.326 2.898 20 30 CFEDMM C[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000190141640 382654769 /nfs/dbraw/zinc/65/47/69/382654769.db2.gz KPBQXOALVNCZAG-GXFFZTMASA-N -1 1 258.321 2.572 20 30 CFEDMM CC1CCC(CNC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000190987272 382687504 /nfs/dbraw/zinc/68/75/04/382687504.db2.gz IPKZTDGKVQWEIM-UHFFFAOYSA-N -1 1 272.348 2.820 20 30 CFEDMM CC1(NC(=O)c2ccc(C#N)c([O-])c2)CCCCC1 ZINC000190948996 382685960 /nfs/dbraw/zinc/68/59/60/382685960.db2.gz UUHHWVAYNIKJJO-UHFFFAOYSA-N -1 1 258.321 2.716 20 30 CFEDMM CCc1cnccc1[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442672615 382944166 /nfs/dbraw/zinc/94/41/66/382944166.db2.gz ONKWTTHTXDTELP-NSHDSACASA-N -1 1 295.342 2.712 20 30 CFEDMM CC1CC(C#N)(C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000542816634 382969642 /nfs/dbraw/zinc/96/96/42/382969642.db2.gz PDNXDZPVYYPOKB-UHFFFAOYSA-N -1 1 264.712 2.924 20 30 CFEDMM C=CCN(C)Cc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000515069053 383157831 /nfs/dbraw/zinc/15/78/31/383157831.db2.gz XARQWHAXZHGNQL-UHFFFAOYSA-N -1 1 270.332 2.859 20 30 CFEDMM CCN(C(=O)c1cncc([O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000339829983 383333594 /nfs/dbraw/zinc/33/35/94/383333594.db2.gz TXNJBMSOMQBFFA-GFCCVEGCSA-N -1 1 295.342 2.882 20 30 CFEDMM C=CCN(C(=O)N=c1[n-]sc2ccccc21)C1CC1 ZINC000640341538 383767060 /nfs/dbraw/zinc/76/70/60/383767060.db2.gz HKFPIIWPKJSSNO-UHFFFAOYSA-N -1 1 273.361 2.901 20 30 CFEDMM C=CCCC1(C(=O)Nc2cc(C(=O)OC)ccc2[O-])CC1 ZINC000436509655 383827161 /nfs/dbraw/zinc/82/71/61/383827161.db2.gz SCUYYTCHPVBMCK-UHFFFAOYSA-N -1 1 289.331 2.864 20 30 CFEDMM C[C@@H](C#N)CN(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000436602539 383852153 /nfs/dbraw/zinc/85/21/53/383852153.db2.gz KLRDPGULRZCQGA-VIFPVBQESA-N -1 1 278.739 2.810 20 30 CFEDMM CNc1ccc(C#N)cc1NC(=O)c1ccc(OC)cc1[O-] ZINC000436679780 383870370 /nfs/dbraw/zinc/87/03/70/383870370.db2.gz HKQSCCBHXKSJAL-UHFFFAOYSA-N -1 1 297.314 2.566 20 30 CFEDMM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(O)c(F)c1 ZINC000436528159 383829191 /nfs/dbraw/zinc/82/91/91/383829191.db2.gz GNLVGARZTOBNHH-DAFODLJHSA-N -1 1 284.246 2.667 20 30 CFEDMM CCc1nc(SCc2nc(C#N)cs2)[n-]c(=O)c1C ZINC000572857505 383829276 /nfs/dbraw/zinc/82/92/76/383829276.db2.gz YSQNUJAMRHAFCW-UHFFFAOYSA-N -1 1 292.389 2.674 20 30 CFEDMM C=CCC(CC=C)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000282696036 385372552 /nfs/dbraw/zinc/37/25/52/385372552.db2.gz FFPGEBDPPRJPAT-UHFFFAOYSA-N -1 1 289.331 2.886 20 30 CFEDMM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000286752587 385703585 /nfs/dbraw/zinc/70/35/85/385703585.db2.gz DHMKKGPMCTVRDU-SNVBAGLBSA-N -1 1 284.381 2.644 20 30 CFEDMM COCCCn1ccc([N-]c2nc(Cl)c(C#N)s2)n1 ZINC000287245096 385811985 /nfs/dbraw/zinc/81/19/85/385811985.db2.gz JXLGCRMVYZNVBC-UHFFFAOYSA-N -1 1 297.771 2.645 20 30 CFEDMM COc1cc(C(=O)N(C)CC(C)(C)C#N)cc(Cl)c1[O-] ZINC000353247116 533509359 /nfs/dbraw/zinc/50/93/59/533509359.db2.gz QJZXWSSHUWKUFO-UHFFFAOYSA-N -1 1 296.754 2.676 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000305987290 393504467 /nfs/dbraw/zinc/50/44/67/393504467.db2.gz IRWIZPCOPCARDR-SECBINFHSA-N -1 1 272.757 2.692 20 30 CFEDMM COc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccc1C ZINC000188359851 393564099 /nfs/dbraw/zinc/56/40/99/393564099.db2.gz YPBLPDIUCSENCY-UHFFFAOYSA-N -1 1 296.326 2.511 20 30 CFEDMM CSc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000190992314 393586933 /nfs/dbraw/zinc/58/69/33/393586933.db2.gz BPZGULLBLFHXIB-UHFFFAOYSA-N -1 1 298.367 2.916 20 30 CFEDMM Cc1cccc2c1CN(C(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000430355726 393982977 /nfs/dbraw/zinc/98/29/77/393982977.db2.gz QHZOIZUCMDSBNK-UHFFFAOYSA-N -1 1 292.338 2.771 20 30 CFEDMM C=C[C@@H](CCC(=O)[O-])NCc1c(F)cccc1Cl ZINC000417621847 393984915 /nfs/dbraw/zinc/98/49/15/393984915.db2.gz GMEYCVXWCZCJTH-VIFPVBQESA-N -1 1 271.719 2.988 20 30 CFEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1F ZINC000051637855 397589888 /nfs/dbraw/zinc/58/98/88/397589888.db2.gz ZCTJRUXYGODMLD-UHFFFAOYSA-N -1 1 294.282 2.637 20 30 CFEDMM CCC#C[C@@H](C)Sc1nc(CC)c(C)c(=O)[n-]1 ZINC000657263792 413381593 /nfs/dbraw/zinc/38/15/93/413381593.db2.gz MMQCBQDBPZKTTF-SECBINFHSA-N -1 1 250.367 2.947 20 30 CFEDMM N#Cc1cnccc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000344470097 162051114 /nfs/dbraw/zinc/05/11/14/162051114.db2.gz VIDNSSJDESKVOY-UHFFFAOYSA-N -1 1 290.282 2.861 20 30 CFEDMM CC1(C)Cc2cccc(C([O-])=C(C#N)c3ccncn3)c2O1 ZINC000654987620 414052250 /nfs/dbraw/zinc/05/22/50/414052250.db2.gz GDRHNGFUJWOPRF-CYBMUJFWSA-N -1 1 293.326 2.680 20 30 CFEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000037375356 173165783 /nfs/dbraw/zinc/16/57/83/173165783.db2.gz NITFEGWRXKRTMV-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000043322190 175006120 /nfs/dbraw/zinc/00/61/20/175006120.db2.gz MBHGBKBMBJRSKP-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2OC(F)F)cc1[O-] ZINC000330406018 228178685 /nfs/dbraw/zinc/17/86/85/228178685.db2.gz QUDACXQSEDWHSS-ZYHUDNBSSA-N -1 1 296.273 2.729 20 30 CFEDMM N#C[C@H](NC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000079843999 260177652 /nfs/dbraw/zinc/17/76/52/260177652.db2.gz UQLHTPGTBCCDFS-AWEZNQCLSA-N -1 1 266.300 2.577 20 30 CFEDMM C[C@H](CC#N)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000063094681 260238224 /nfs/dbraw/zinc/23/82/24/260238224.db2.gz ARXYZVJEDKHIIV-MRVPVSSYSA-N -1 1 297.152 2.529 20 30 CFEDMM Cc1nc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1C#N ZINC000171881348 260950292 /nfs/dbraw/zinc/95/02/92/260950292.db2.gz PNYLHZRFMKOGOB-UHFFFAOYSA-N -1 1 287.706 2.873 20 30 CFEDMM N#CCCN(CC1CC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000155553996 261103477 /nfs/dbraw/zinc/10/34/77/261103477.db2.gz UVCNTUJGXZVSEH-UHFFFAOYSA-N -1 1 278.739 2.811 20 30 CFEDMM CC[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000160844541 261228003 /nfs/dbraw/zinc/22/80/03/261228003.db2.gz XTLCBRTVDQMFQD-ZETCQYMHSA-N -1 1 293.175 2.574 20 30 CFEDMM C#C[C@H]([N-]C(=O)C(C)(F)F)c1ccc(Cl)cc1 ZINC000491181825 261364218 /nfs/dbraw/zinc/36/42/18/261364218.db2.gz WDWUUUFUBCLPOX-JTQLQIEISA-N -1 1 257.667 2.786 20 30 CFEDMM CC(C)n1cc(/C=C2/Cc3cc([O-])ccc3C2=O)cn1 ZINC000187226116 262128918 /nfs/dbraw/zinc/12/89/18/262128918.db2.gz QCTFGRZDXOYZEM-ACAGNQJTSA-N -1 1 268.316 2.992 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000088475580 263053624 /nfs/dbraw/zinc/05/36/24/263053624.db2.gz FJRFJGLMJXYBQQ-JTQLQIEISA-N -1 1 272.757 2.692 20 30 CFEDMM O=C(N[C@@H](CO)CC1CCCC1)c1ccc([O-])cc1F ZINC000331223663 264167306 /nfs/dbraw/zinc/16/73/06/264167306.db2.gz AFCUNBLBYOPQIJ-LLVKDONJSA-N -1 1 281.327 2.777 20 30 CFEDMM Cc1cnc(C(=O)NCC2CCC(C#N)CC2)c([O-])c1 ZINC000331280778 264171564 /nfs/dbraw/zinc/17/15/64/264171564.db2.gz QLRUFOROMNSZPZ-UHFFFAOYSA-N -1 1 273.336 2.730 20 30 CFEDMM CC1(C)CC[C@H](CNC(=O)c2c([O-])cccc2F)O1 ZINC000331245334 264178834 /nfs/dbraw/zinc/17/88/34/264178834.db2.gz UDDDRSOGBCJDNY-SECBINFHSA-N -1 1 267.300 2.794 20 30 CFEDMM C[C@H](C[C@H]1CCCO1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000331260423 264184122 /nfs/dbraw/zinc/18/41/22/264184122.db2.gz AVEMPOJNQJQXOC-ZWNOBZJWSA-N -1 1 274.320 2.526 20 30 CFEDMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336625454 279077598 /nfs/dbraw/zinc/07/75/98/279077598.db2.gz HWEMRDDNTHLGMA-KCJUWKMLSA-N -1 1 298.264 2.677 20 30 CFEDMM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000356627938 280085973 /nfs/dbraw/zinc/08/59/73/280085973.db2.gz XHCJVZODHDJQRV-HWPZZCPQSA-N -1 1 294.310 2.516 20 30 CFEDMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336447617 281234486 /nfs/dbraw/zinc/23/44/86/281234486.db2.gz RKSJCICSVZEALJ-GWCFXTLKSA-N -1 1 258.321 2.524 20 30 CFEDMM C[C@]12CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000564177292 290194990 /nfs/dbraw/zinc/19/49/90/290194990.db2.gz CVPMFHAQPQUKFF-WHTWZSQMSA-N -1 1 296.370 2.772 20 30 CFEDMM N#CC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCCC1 ZINC000278061913 328223184 /nfs/dbraw/zinc/22/31/84/328223184.db2.gz DVJLACDPXWPLGD-UHFFFAOYSA-N -1 1 273.267 2.917 20 30 CFEDMM Cc1cc(C#N)cnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000574182927 322684134 /nfs/dbraw/zinc/68/41/34/322684134.db2.gz DIBMSZWHKRJCAF-UHFFFAOYSA-N -1 1 287.706 2.873 20 30 CFEDMM CS[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188519066 324017140 /nfs/dbraw/zinc/01/71/40/324017140.db2.gz YTSGTSSGNHWVPN-STQMWFEESA-N -1 1 290.388 2.668 20 30 CFEDMM C#CCN(CC)C(=O)c1ccc2ccccc2c1[O-] ZINC000108951068 326815363 /nfs/dbraw/zinc/81/53/63/326815363.db2.gz INAYNFQZWYASFL-UHFFFAOYSA-N -1 1 253.301 2.641 20 30 CFEDMM CC1CC(C#N)(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000536508581 327242040 /nfs/dbraw/zinc/24/20/40/327242040.db2.gz QCBCTFKTXLMCOU-UHFFFAOYSA-N -1 1 296.330 2.661 20 30 CFEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000456261794 331187726 /nfs/dbraw/zinc/18/77/26/331187726.db2.gz JMULWEXWMZVSCF-YPMHNXCESA-N -1 1 281.739 2.509 20 30 CFEDMM C=C(C)[C@H](CC(=O)Nc1ccc([O-])c(F)c1F)OCC ZINC000456786931 331204037 /nfs/dbraw/zinc/20/40/37/331204037.db2.gz PEVYBYUUOAXONU-NSHDSACASA-N -1 1 285.290 2.980 20 30 CFEDMM C[C@@H](Cc1ccccc1F)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190954794 534253069 /nfs/dbraw/zinc/25/30/69/534253069.db2.gz OCEFSOFQVMDVPZ-NSHDSACASA-N -1 1 298.317 2.764 20 30 CFEDMM CC1(CNC(=O)c2ccc(C#N)c([O-])c2)CCCC1 ZINC000188366444 520728910 /nfs/dbraw/zinc/72/89/10/520728910.db2.gz XRISYMHGHLXNDT-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1C#N ZINC000235900496 525423962 /nfs/dbraw/zinc/42/39/62/525423962.db2.gz RGWUQOONGOZROE-UHFFFAOYSA-N -1 1 272.329 2.668 20 30 CFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000073353750 526011783 /nfs/dbraw/zinc/01/17/83/526011783.db2.gz WXKWNTJSAULSAB-UHFFFAOYSA-N -1 1 272.329 2.668 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC=C(c3ccco3)C2)cc1[O-] ZINC000336033706 526589033 /nfs/dbraw/zinc/58/90/33/526589033.db2.gz WPMHCMDPNRXEID-UHFFFAOYSA-N -1 1 294.310 2.786 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCCC2(F)F)cc1[O-] ZINC000336306061 526596790 /nfs/dbraw/zinc/59/67/90/526596790.db2.gz HVTFZFFNUOKSFV-LBPRGKRZSA-N -1 1 294.301 2.819 20 30 CFEDMM C=CCCC[C@@H](C)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000345024546 527270694 /nfs/dbraw/zinc/27/06/94/527270694.db2.gz IUKUDVZVDCHAST-SNVBAGLBSA-N -1 1 279.409 2.614 20 30 CFEDMM CC[C@@H]1CCC[C@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000452537256 535822618 /nfs/dbraw/zinc/82/26/18/535822618.db2.gz ZYEFXEQLUPZTQX-RISCZKNCSA-N -1 1 272.348 2.820 20 30 CFEDMM CCc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)s1 ZINC000731155669 574111236 /nfs/dbraw/zinc/11/12/36/574111236.db2.gz OLSLELRINNDOJQ-PSKZRQQASA-N -1 1 290.340 2.539 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cccc3c2OC(C)(C)C3)n1 ZINC000737414163 574139680 /nfs/dbraw/zinc/13/96/80/574139680.db2.gz ULSUPMLBTZURGR-UHFFFAOYSA-N -1 1 298.346 2.650 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000729144036 574179310 /nfs/dbraw/zinc/17/93/10/574179310.db2.gz AGWNPXBATWDVHV-UHFFFAOYSA-N -1 1 298.346 2.650 20 30 CFEDMM CCCCC=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000755726873 574181644 /nfs/dbraw/zinc/18/16/44/574181644.db2.gz POKSTHQKOYUKTO-UHFFFAOYSA-N -1 1 290.371 2.875 20 30 CFEDMM CC(C)CON=Cc1cc(O)cc(Br)c1[O-] ZINC000755801139 574188683 /nfs/dbraw/zinc/18/86/83/574188683.db2.gz IFCAZMQUUIMQRG-UHFFFAOYSA-N -1 1 288.141 2.867 20 30 CFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2Cc3ccccc3C2)cc1 ZINC000739108192 574198636 /nfs/dbraw/zinc/19/86/36/574198636.db2.gz UNGDLOPVWBUSGZ-INIZCTEOSA-N -1 1 278.311 2.700 20 30 CFEDMM C=CCCOC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000740224626 574243567 /nfs/dbraw/zinc/24/35/67/574243567.db2.gz BRBWLHBVNGKCHV-UHFFFAOYSA-N -1 1 297.376 2.571 20 30 CFEDMM CC(C)C[C@](C)(C#N)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756717248 574258673 /nfs/dbraw/zinc/25/86/73/574258673.db2.gz INVZSIDWMIKQNB-LLVKDONJSA-N -1 1 287.335 2.679 20 30 CFEDMM Cn1nnc2cc(/C=C\C(=O)c3ccc([O-])cc3)ccc21 ZINC000740667724 574260700 /nfs/dbraw/zinc/26/07/00/574260700.db2.gz YZIPOSQWNQZDTE-OQFOIZHKSA-N -1 1 279.299 2.570 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(F)cc1 ZINC000756900702 574271352 /nfs/dbraw/zinc/27/13/52/574271352.db2.gz AGSWROYRPPOTAN-UHFFFAOYSA-N -1 1 288.278 2.979 20 30 CFEDMM Cc1cc(C)nc(N=NCc2cc(F)c([O-])c(F)c2)n1 ZINC000749850940 574312525 /nfs/dbraw/zinc/31/25/25/574312525.db2.gz REMRNZQWIWEITP-UHFFFAOYSA-N -1 1 278.262 2.523 20 30 CFEDMM N#CCCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000750552543 574347434 /nfs/dbraw/zinc/34/74/34/574347434.db2.gz SYNMQLHMFWOPRX-UHFFFAOYSA-N -1 1 284.109 2.615 20 30 CFEDMM C#CCOc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000751068298 574369092 /nfs/dbraw/zinc/36/90/92/574369092.db2.gz NHVDVIXVZJIUNG-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM O=[N+]([O-])c1ccc(N=NCc2cccc(Cl)c2[O-])nc1 ZINC000753161062 574399631 /nfs/dbraw/zinc/39/96/31/574399631.db2.gz ARDOHKKGYVXQFK-UHFFFAOYSA-N -1 1 292.682 2.795 20 30 CFEDMM Clc1ccccc1NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822591590 599332556 /nfs/dbraw/zinc/33/25/56/599332556.db2.gz WIIIDIQNKPFTIA-UHFFFAOYSA-N -1 1 288.698 2.559 20 30 CFEDMM Clc1ccccc1NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822591590 599332558 /nfs/dbraw/zinc/33/25/58/599332558.db2.gz WIIIDIQNKPFTIA-UHFFFAOYSA-N -1 1 288.698 2.559 20 30 CFEDMM CCC(CC)CN(C/C=C(\C)C(=O)[O-])CCC#N ZINC000828858914 601176770 /nfs/dbraw/zinc/17/67/70/601176770.db2.gz GIILNYBNRASXLO-KPKJPENVSA-N -1 1 252.358 2.669 20 30 CFEDMM O=C([O-])c1cc(CN=Nc2cc(F)c(F)cc2F)c[nH]1 ZINC000814849584 601797538 /nfs/dbraw/zinc/79/75/38/601797538.db2.gz BKCPJQUJFQBTBI-UHFFFAOYSA-N -1 1 283.209 2.576 20 30 CFEDMM CC(C)CCN(CCC#N)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824238179 603567816 /nfs/dbraw/zinc/56/78/16/603567816.db2.gz BIIAIKVJYUWRKH-AWEZNQCLSA-N -1 1 281.400 2.638 20 30 CFEDMM CC[C@](C)(C#N)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900464002 620678904 /nfs/dbraw/zinc/67/89/04/620678904.db2.gz JJCGFMHMCMYZNU-OAHLLOKOSA-N -1 1 287.294 2.502 20 30 CFEDMM C=C(C)CN(C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833368659 605390268 /nfs/dbraw/zinc/39/02/68/605390268.db2.gz OXJZMFUZBNHLMK-LBPRGKRZSA-N -1 1 290.363 2.528 20 30 CFEDMM N#Cc1ccc(O)c(NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000833977597 605539003 /nfs/dbraw/zinc/53/90/03/605539003.db2.gz QJNJBOVTYLHTLJ-UHFFFAOYSA-N -1 1 297.270 2.606 20 30 CFEDMM O=C([O-])N[C@@H]1CC(=NNc2ccccn2)c2ccccc21 ZINC000834158748 605742246 /nfs/dbraw/zinc/74/22/46/605742246.db2.gz URVFTRABBUTQEE-GFCCVEGCSA-N -1 1 282.303 2.610 20 30 CFEDMM C[C@@H](NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820437957 606370200 /nfs/dbraw/zinc/37/02/00/606370200.db2.gz FBIPTYBZQLPGTE-SNVBAGLBSA-N -1 1 298.375 2.613 20 30 CFEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)Cc2ccccc21 ZINC000823503732 606388192 /nfs/dbraw/zinc/38/81/92/606388192.db2.gz HXWQGJFAZPLCAK-NTMALXAHSA-N -1 1 294.339 2.751 20 30 CFEDMM C=CCOCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760738 617838362 /nfs/dbraw/zinc/83/83/62/617838362.db2.gz YGKKHLZJFCVJCH-UHFFFAOYSA-N -1 1 283.755 2.645 20 30 CFEDMM C=CCCCN(CC)C(=O)c1ccc([O-])cc1F ZINC000890811475 617909748 /nfs/dbraw/zinc/90/97/48/617909748.db2.gz GOONIQWOAPFLOQ-UHFFFAOYSA-N -1 1 251.301 2.960 20 30 CFEDMM C=CC[C@@H]1CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000890554003 617644467 /nfs/dbraw/zinc/64/44/67/617644467.db2.gz GQKQWFNNJJJIFM-GFCCVEGCSA-N -1 1 268.316 2.731 20 30 CFEDMM C=CC[C@H]1CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000890557384 617650959 /nfs/dbraw/zinc/65/09/59/617650959.db2.gz ZGMVUINYYQPCFX-JTQLQIEISA-N -1 1 296.164 2.945 20 30 CFEDMM C=CCC1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CCC1 ZINC000891617243 617687010 /nfs/dbraw/zinc/68/70/10/617687010.db2.gz FHLAENXCBAPYJK-UHFFFAOYSA-N -1 1 287.363 2.746 20 30 CFEDMM C#CCN(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000804836265 617907407 /nfs/dbraw/zinc/90/74/07/617907407.db2.gz CXPSFIRDERJRQJ-UHFFFAOYSA-N -1 1 290.322 2.539 20 30 CFEDMM C=CCCCN(CC)C(=O)c1cc(F)ccc1[O-] ZINC000890811412 617909662 /nfs/dbraw/zinc/90/96/62/617909662.db2.gz DQTHEVKWBQCEIX-UHFFFAOYSA-N -1 1 251.301 2.960 20 30 CFEDMM CC(C)n1cc(/C=C\C(=O)c2cc(O)ccc2[O-])cn1 ZINC000255728039 618270970 /nfs/dbraw/zinc/27/09/70/618270970.db2.gz JUJOWFADIQGLRE-HYXAFXHYSA-N -1 1 272.304 2.771 20 30 CFEDMM CCC[C@@H](OCC)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371886 620797309 /nfs/dbraw/zinc/79/73/09/620797309.db2.gz JZDGPPIKYFIXTF-CYBMUJFWSA-N -1 1 269.316 2.749 20 30 CFEDMM O=C([C@H]1Cc2ccccc2O1)N([O-])Cc1ccc(F)cc1 ZINC000901376588 620798724 /nfs/dbraw/zinc/79/87/24/620798724.db2.gz WNQRENHPZCIFOG-OAHLLOKOSA-N -1 1 287.290 2.547 20 30 CFEDMM O=C([C@@H]1CCCO1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380162 620799540 /nfs/dbraw/zinc/79/95/40/620799540.db2.gz ZZFOZUBHBWKSQO-NSHDSACASA-N -1 1 290.146 2.890 20 30 CFEDMM C=CCN(CC(=O)[O-])Cc1ccc(Cl)cc1F ZINC000162563361 618390698 /nfs/dbraw/zinc/39/06/98/618390698.db2.gz OGHXPNPXZISJFI-UHFFFAOYSA-N -1 1 257.692 2.552 20 30 CFEDMM Cc1ccc(NN=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)nc1 ZINC000727259328 618475951 /nfs/dbraw/zinc/47/59/51/618475951.db2.gz CQEOOODCRAFQDR-LBPRGKRZSA-N -1 1 299.330 2.688 20 30 CFEDMM C#CCCCS(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC000856762298 618478653 /nfs/dbraw/zinc/47/86/53/618478653.db2.gz QFKUEDJJBBUAQX-LBPRGKRZSA-N -1 1 293.379 2.533 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2cncs2)c1 ZINC000255899656 618652267 /nfs/dbraw/zinc/65/22/67/618652267.db2.gz OMWJZXGOTNYABT-HYXAFXHYSA-N -1 1 261.302 2.753 20 30 CFEDMM N#C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000928216412 619322808 /nfs/dbraw/zinc/32/28/08/619322808.db2.gz DGULURZHPQIWAK-SECBINFHSA-N -1 1 298.264 2.787 20 30 CFEDMM N#CC[C@@H](NC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC000928811323 620020972 /nfs/dbraw/zinc/02/09/72/620020972.db2.gz GCKDYLUHXVSLGI-MRVPVSSYSA-N -1 1 292.644 2.620 20 30 CFEDMM Cc1cc(Br)c([O-])c(C=NN2CCC2)c1 ZINC000872396770 620101347 /nfs/dbraw/zinc/10/13/47/620101347.db2.gz HIQAQQKLFKYNDY-UHFFFAOYSA-N -1 1 269.142 2.503 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C\c2cncnc2)c([O-])c1 ZINC000799896605 620130323 /nfs/dbraw/zinc/13/03/23/620130323.db2.gz XASJUXJSYSOFJS-ARJAWSKDSA-N -1 1 254.289 2.695 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1c3c(nn1C)CCC3)O2 ZINC000899347701 620546778 /nfs/dbraw/zinc/54/67/78/620546778.db2.gz BTQPHZHIQGASLW-NVNXTCNLSA-N -1 1 296.326 2.539 20 30 CFEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1cnn(CCF)c1 ZINC000901471961 620832591 /nfs/dbraw/zinc/83/25/91/620832591.db2.gz UXIXIEUGNHDUML-QPEQYQDCSA-N -1 1 286.306 2.771 20 30 CFEDMM C=CCN(Cc1cc(C(=O)[O-])ccc1OC)C1CC1 ZINC000903594143 621403078 /nfs/dbraw/zinc/40/30/78/621403078.db2.gz DPVDTBJEWAPVEC-UHFFFAOYSA-N -1 1 261.321 2.544 20 30 CFEDMM CCO[C@H](CC)C(=O)N([O-])Cc1ccccc1Cl ZINC000904193667 621547203 /nfs/dbraw/zinc/54/72/03/621547203.db2.gz STJKCZGQPLTWQN-GFCCVEGCSA-N -1 1 271.744 2.873 20 30 CFEDMM C=C(Cl)CN[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000905400267 621758703 /nfs/dbraw/zinc/75/87/03/621758703.db2.gz LJCJKUPYHRXGRG-LLVKDONJSA-N -1 1 290.146 2.816 20 30 CFEDMM N#C[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000905721397 621832581 /nfs/dbraw/zinc/83/25/81/621832581.db2.gz QTDBCISUBWLAHG-GFCCVEGCSA-N -1 1 267.332 2.676 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@]23C[C@H]2CCCC3)cc1[O-] ZINC000927441683 621870308 /nfs/dbraw/zinc/87/03/08/621870308.db2.gz WOUKYJTZFJPMJJ-CJNGLKHVSA-N -1 1 270.332 2.574 20 30 CFEDMM CC[C@](C)(C#N)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987245 622380175 /nfs/dbraw/zinc/38/01/75/622380175.db2.gz NHBSSRIECBDCOV-GFCCVEGCSA-N -1 1 254.236 2.549 20 30 CFEDMM C[Si](C)(C)C#CCCNC(=O)c1c(F)ccc([O-])c1F ZINC000912328774 622680355 /nfs/dbraw/zinc/68/03/55/622680355.db2.gz PRCAIUIPKWAGAM-UHFFFAOYSA-N -1 1 297.377 2.671 20 30 CFEDMM N#Cc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1 ZINC000156665130 622953316 /nfs/dbraw/zinc/95/33/16/622953316.db2.gz VUCZINGXRCKASC-FNORWQNLSA-N -1 1 265.268 2.866 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cnc2ccccn12 ZINC000172586743 623288830 /nfs/dbraw/zinc/28/88/30/623288830.db2.gz AOINLIYBJPSFMS-VGOFMYFVSA-N -1 1 278.267 2.656 20 30 CFEDMM C#CCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000184879906 625660276 /nfs/dbraw/zinc/66/02/76/625660276.db2.gz BWDDHERVKGCAMS-UHFFFAOYSA-N -1 1 270.357 2.861 20 30 CFEDMM CCn1nnc(C)c1/C=C\C(=O)c1c(C)cc(C)cc1[O-] ZINC000834441851 625680188 /nfs/dbraw/zinc/68/01/88/625680188.db2.gz XLWJAWGDOVEMCR-SREVYHEPSA-N -1 1 285.347 2.825 20 30 CFEDMM CC(=NOC[C@H]1CCOC1)c1ccc([O-])c(Cl)c1 ZINC000788036702 624001918 /nfs/dbraw/zinc/00/19/18/624001918.db2.gz LRYNPRRDFUFABC-JTQLQIEISA-N -1 1 269.728 2.823 20 30 CFEDMM CC(=NOC[C@@H]1CCOC1)c1ccc([O-])c(Cl)c1 ZINC000788036704 624003968 /nfs/dbraw/zinc/00/39/68/624003968.db2.gz LRYNPRRDFUFABC-SNVBAGLBSA-N -1 1 269.728 2.823 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(Cl)c1 ZINC000916241432 624229443 /nfs/dbraw/zinc/22/94/43/624229443.db2.gz ATGHBDSYTRFHRI-UHFFFAOYSA-N -1 1 276.727 2.980 20 30 CFEDMM N#Cc1ccsc1[N-]C(=O)c1scnc1Cl ZINC000920079846 624671620 /nfs/dbraw/zinc/67/16/20/624671620.db2.gz IQUGSOPGKSAOML-UHFFFAOYSA-N -1 1 269.738 2.982 20 30 CFEDMM Cc1cc(C)c2c(c1)OCCC2=NNc1nc(C)cc(=O)[n-]1 ZINC000920359422 624714978 /nfs/dbraw/zinc/71/49/78/624714978.db2.gz MIDPTNPUWHMWKW-UHFFFAOYSA-N -1 1 298.346 2.706 20 30 CFEDMM [O-]c1ccc(CN=Nc2ccc(Cl)nn2)cc1Cl ZINC000921251201 624829504 /nfs/dbraw/zinc/82/95/04/624829504.db2.gz DWXQUJVVTSGSNO-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM Cc1cc(N=NCc2ccc([O-])c(Cl)c2)nc(C)n1 ZINC000921258095 624831889 /nfs/dbraw/zinc/83/18/89/624831889.db2.gz JUDJTOJTDQMENG-UHFFFAOYSA-N -1 1 276.727 2.898 20 30 CFEDMM C#C[C@@H](CCC)NC(=O)c1ccc(Br)cc1[O-] ZINC000233294906 624931771 /nfs/dbraw/zinc/93/17/71/624931771.db2.gz DPZGURVIDXKBHO-JTQLQIEISA-N -1 1 296.164 2.686 20 30 CFEDMM C=C1CCC(CNC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000830994784 624950013 /nfs/dbraw/zinc/95/00/13/624950013.db2.gz RXZNMIGFOYXCRI-UHFFFAOYSA-N -1 1 270.332 2.740 20 30 CFEDMM C#C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(C)(C)C ZINC000831547462 625050390 /nfs/dbraw/zinc/05/03/90/625050390.db2.gz RRRZOEMZSOCKCV-SECBINFHSA-N -1 1 291.825 2.728 20 30 CFEDMM C=CCCO[C@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833609 625893235 /nfs/dbraw/zinc/89/32/35/625893235.db2.gz FMEGWBBPXTZMAB-SNVBAGLBSA-N -1 1 283.755 2.643 20 30 CFEDMM CSCC1CCC(N=Nc2nc(C)cc(=O)[n-]2)CC1 ZINC000834912796 625920431 /nfs/dbraw/zinc/92/04/31/625920431.db2.gz SEZULZUJAJVDGE-UHFFFAOYSA-N -1 1 280.397 2.812 20 30 CFEDMM C[C@H](NN=Cc1cccc([O-])c1Cl)C(F)(F)F ZINC000834999660 625948946 /nfs/dbraw/zinc/94/89/46/625948946.db2.gz XCTOAXHQJZJISM-LURJTMIESA-N -1 1 266.650 2.920 20 30 CFEDMM CC(=NN[C@H]1CCOC1(C)C)c1ccc([O-])c(Cl)c1 ZINC000835017750 625963072 /nfs/dbraw/zinc/96/30/72/625963072.db2.gz YCVDJAWDRAVZHF-ZDUSSCGKSA-N -1 1 282.771 2.927 20 30 CFEDMM CCCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000804945238 626540321 /nfs/dbraw/zinc/54/03/21/626540321.db2.gz WCZLEZUCBJNJEP-NSHDSACASA-N -1 1 284.381 2.788 20 30 CFEDMM O=C(/C=C1\COc2ccc(F)cc21)c1cc(O)ccc1[O-] ZINC000757468370 626552893 /nfs/dbraw/zinc/55/28/93/626552893.db2.gz SYSPLPQHGFMKDL-WEVVVXLNSA-N -1 1 286.258 2.896 20 30 CFEDMM CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000757964334 626570528 /nfs/dbraw/zinc/57/05/28/626570528.db2.gz FGLKAHRCRZWZAR-LBPRGKRZSA-N -1 1 270.254 2.726 20 30 CFEDMM C=CCCCCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000805219862 626809690 /nfs/dbraw/zinc/80/96/90/626809690.db2.gz YUGSYRQWNFAZEM-UHFFFAOYSA-N -1 1 293.323 2.562 20 30 CFEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C3=CCCC3)nc1-2 ZINC000761213251 626816055 /nfs/dbraw/zinc/81/60/55/626816055.db2.gz CRPODLLAHAEUJR-NSHDSACASA-N -1 1 266.304 2.553 20 30 CFEDMM COC(=O)c1coc(/C=C\C(=O)c2ccc([O-])cc2)c1 ZINC000763171239 626968291 /nfs/dbraw/zinc/96/82/91/626968291.db2.gz MLOMCOWPGZTIJO-SREVYHEPSA-N -1 1 272.256 2.668 20 30 CFEDMM C#CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000764678014 627083844 /nfs/dbraw/zinc/08/38/44/627083844.db2.gz ZGRMTLQSCAEZKB-UHFFFAOYSA-N -1 1 280.711 2.551 20 30 CFEDMM C#CCC(C)(C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000767645135 627267583 /nfs/dbraw/zinc/26/75/83/627267583.db2.gz VEXLKSFPXPMIFZ-UHFFFAOYSA-N -1 1 288.343 2.730 20 30 CFEDMM CC(C)(C)[C@H](C#N)NC(=O)c1c([O-])cccc1Cl ZINC000769952518 627490754 /nfs/dbraw/zinc/49/07/54/627490754.db2.gz HEPUOROOMOBMMB-JTQLQIEISA-N -1 1 266.728 2.714 20 30 CFEDMM Cc1cccnc1N=NC(C)c1ccc(C(=O)[O-])o1 ZINC000773073632 627779122 /nfs/dbraw/zinc/77/91/22/627779122.db2.gz LRQZJHQYGRYVAN-UHFFFAOYSA-N -1 1 259.265 2.517 20 30 CFEDMM CC(=NNc1ncccc1C)c1ccc(C(=O)[O-])o1 ZINC000773073632 627779125 /nfs/dbraw/zinc/77/91/25/627779125.db2.gz LRQZJHQYGRYVAN-UHFFFAOYSA-N -1 1 259.265 2.517 20 30 CFEDMM N#Cc1ccc(COC(=O)c2ccc([O-])cc2F)c(F)c1 ZINC000773572275 627837880 /nfs/dbraw/zinc/83/78/80/627837880.db2.gz WCYQJGZQJOLTNI-UHFFFAOYSA-N -1 1 289.237 2.899 20 30 CFEDMM N#Cc1cc(F)ccc1COC(=O)c1ccc([O-])cc1F ZINC000773575694 627839219 /nfs/dbraw/zinc/83/92/19/627839219.db2.gz LOJHETVYSWOTHA-UHFFFAOYSA-N -1 1 289.237 2.899 20 30 CFEDMM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)ns1 ZINC000774042306 627881261 /nfs/dbraw/zinc/88/12/61/627881261.db2.gz GLWLGCJTPOVIRB-LBPRGKRZSA-N -1 1 299.355 2.721 20 30 CFEDMM O=C([O-])c1cccc(/C=C\C(=O)c2ccc(O)cc2O)c1 ZINC000774134887 627892999 /nfs/dbraw/zinc/89/29/99/627892999.db2.gz GWKMAYXVUWXTOY-DAXSKMNVSA-N -1 1 284.267 2.692 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCCCCC2)c1 ZINC000776317573 628131248 /nfs/dbraw/zinc/13/12/48/628131248.db2.gz GKVAAQPAWMMTOF-UHFFFAOYSA-N -1 1 258.321 2.670 20 30 CFEDMM C#CCCCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776487957 628153610 /nfs/dbraw/zinc/15/36/10/628153610.db2.gz KRQLOSOGIJMZJQ-UHFFFAOYSA-N -1 1 285.265 2.944 20 30 CFEDMM CN(C)c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776612953 628164860 /nfs/dbraw/zinc/16/48/60/628164860.db2.gz IXGUREZFDVFZAK-UHFFFAOYSA-N -1 1 281.315 2.582 20 30 CFEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)cnc1Cl ZINC000776668455 628167148 /nfs/dbraw/zinc/16/71/48/628167148.db2.gz HMXAPCPCCNUERS-UHFFFAOYSA-N -1 1 287.706 2.873 20 30 CFEDMM C#CCCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000778827760 628335317 /nfs/dbraw/zinc/33/53/17/628335317.db2.gz CBOYIUMIARMAJT-UHFFFAOYSA-N -1 1 283.121 2.725 20 30 CFEDMM CC(=NNc1ccnc(F)c1)c1ccc(F)cc1[O-] ZINC000781126913 628523971 /nfs/dbraw/zinc/52/39/71/628523971.db2.gz HCAWXPGRTCDSBH-UHFFFAOYSA-N -1 1 263.247 2.902 20 30 CFEDMM Fc1cc(Cl)ccc1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000783514357 628715312 /nfs/dbraw/zinc/71/53/12/628715312.db2.gz PICJPJJBJLFWEH-UHFFFAOYSA-N -1 1 290.689 2.591 20 30 CFEDMM C=CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccncc1 ZINC000785416334 628881115 /nfs/dbraw/zinc/88/11/15/628881115.db2.gz ZOODJGHDHWZXPE-HNNXBMFYSA-N -1 1 293.326 2.706 20 30 CFEDMM Cc1cccc(F)c1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000785598480 628896913 /nfs/dbraw/zinc/89/69/13/628896913.db2.gz UAIWNMXXIZEFDZ-UHFFFAOYSA-N -1 1 284.290 2.641 20 30 CFEDMM CCC(CC)(CNC(=O)c1ccc(C#N)c([O-])c1)SC ZINC000785597895 628897135 /nfs/dbraw/zinc/89/71/35/628897135.db2.gz QNLRGWVVTQVNNZ-UHFFFAOYSA-N -1 1 292.404 2.915 20 30 CFEDMM CC(N=Nc1cccc(C(=O)[O-])c1)c1cn2ccccc2n1 ZINC000788407268 629064430 /nfs/dbraw/zinc/06/44/30/629064430.db2.gz CYYGYXOKSCCKNQ-UHFFFAOYSA-N -1 1 294.314 2.869 20 30 CFEDMM Cc1cccnc1NN=Cc1cccc(OCCC(=O)[O-])c1 ZINC000790187252 629217426 /nfs/dbraw/zinc/21/74/26/629217426.db2.gz VUCBETFQKLOFDJ-UHFFFAOYSA-N -1 1 299.330 2.690 20 30 CFEDMM O=c1[n-]c(N=NC[C@H]2CCCSC2)nc2ccccc21 ZINC000794919450 629704124 /nfs/dbraw/zinc/70/41/24/629704124.db2.gz YNCBJDACBBOKMS-SNVBAGLBSA-N -1 1 288.376 2.876 20 30 CFEDMM CCN1c2ccc(C)cc2C(=N[N-]c2ncccc2F)C1=O ZINC000794990233 629718312 /nfs/dbraw/zinc/71/83/12/629718312.db2.gz KAHBWQJSSDWJAT-UHFFFAOYSA-N -1 1 298.321 2.712 20 30 CFEDMM COC(=O)c1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)[n-]1 ZINC000796360739 629908141 /nfs/dbraw/zinc/90/81/41/629908141.db2.gz FKYHOPOEWPNHHN-SNVBAGLBSA-N -1 1 298.298 2.591 20 30 CFEDMM Cc1[nH]c(CN=Nc2cccc(F)c2F)cc1C(=O)[O-] ZINC000800813918 630407570 /nfs/dbraw/zinc/40/75/70/630407570.db2.gz MKDASOWMIWRRIF-UHFFFAOYSA-N -1 1 279.246 2.746 20 30 CFEDMM C=CCOC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801359169 630442870 /nfs/dbraw/zinc/44/28/70/630442870.db2.gz VBQODFDQTLCPJP-UHFFFAOYSA-N -1 1 278.695 2.574 20 30 CFEDMM C#CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000836806299 630887589 /nfs/dbraw/zinc/88/75/89/630887589.db2.gz NPVMQUCMUPSBTK-UHFFFAOYSA-N -1 1 283.249 2.649 20 30 CFEDMM C=CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccncc1 ZINC000809679856 631260646 /nfs/dbraw/zinc/26/06/46/631260646.db2.gz MTDLXCNSOGPKAJ-MRXNPFEDSA-N -1 1 293.326 2.706 20 30 CFEDMM C#CCCCS(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000840947940 631276864 /nfs/dbraw/zinc/27/68/64/631276864.db2.gz DNANPSMCXTUXGB-UHFFFAOYSA-N -1 1 293.175 2.544 20 30 CFEDMM C#C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(C)(C)C ZINC000867272201 631471868 /nfs/dbraw/zinc/47/18/68/631471868.db2.gz VNDAZKYSJRDSTQ-SECBINFHSA-N -1 1 291.319 2.543 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1nccc2ccccc21 ZINC000811629002 631589547 /nfs/dbraw/zinc/58/95/47/631589547.db2.gz QRPMCSNOJHQPPE-UHFFFAOYSA-N -1 1 293.330 2.875 20 30 CFEDMM CCCON=Cc1cc(O)c([O-])c(Br)c1 ZINC000842556198 631664087 /nfs/dbraw/zinc/66/40/87/631664087.db2.gz ISQTVXQALGMBQF-UHFFFAOYSA-N -1 1 274.114 2.621 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cc3ccccc3o2)n1 ZINC000812370856 631696912 /nfs/dbraw/zinc/69/69/12/631696912.db2.gz UXDJZFRYSXSQNV-UHFFFAOYSA-N -1 1 268.276 2.683 20 30 CFEDMM C#C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000812752501 631767634 /nfs/dbraw/zinc/76/76/34/631767634.db2.gz HEDXYTRVIWDCBE-AWEZNQCLSA-N -1 1 287.265 2.775 20 30 CFEDMM N#CC(=C([O-])C1=CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813211391 631881361 /nfs/dbraw/zinc/88/13/61/631881361.db2.gz JMDACNCSXIDNGK-LLVKDONJSA-N -1 1 296.248 2.623 20 30 CFEDMM Cc1ccc(N=NCc2cccc(C(=O)[O-])c2Cl)nn1 ZINC000814840331 632135886 /nfs/dbraw/zinc/13/58/86/632135886.db2.gz JCKODVWMUFQCJX-UHFFFAOYSA-N -1 1 290.710 2.583 20 30 CFEDMM [O-]c1cccc(C=NOCC(F)(F)F)c1Cl ZINC000814879992 632145616 /nfs/dbraw/zinc/14/56/16/632145616.db2.gz NIPKTYOLCRKJIV-UHFFFAOYSA-N -1 1 253.607 2.958 20 30 CFEDMM CCON=C(C)c1ccc([O-])c(Br)c1 ZINC000844576527 632251587 /nfs/dbraw/zinc/25/15/87/632251587.db2.gz PCTRTQNBCGFZBD-UHFFFAOYSA-N -1 1 258.115 2.915 20 30 CFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ncoc1C1CC1 ZINC000815907658 632332109 /nfs/dbraw/zinc/33/21/09/632332109.db2.gz HAMXFQPQBIAAIQ-LBPRGKRZSA-N -1 1 295.298 2.513 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1c(Cl)cccc1OC ZINC000846551271 632739395 /nfs/dbraw/zinc/73/93/95/632739395.db2.gz ZAURMVHJZKIEPB-SECBINFHSA-N -1 1 269.728 2.513 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000846553810 632740645 /nfs/dbraw/zinc/74/06/45/632740645.db2.gz AZVBOYGUNADCEF-FPMFFAJLSA-N -1 1 277.389 2.756 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)C1(CC(=O)OC(C)(C)C)CCC1 ZINC000846555032 632741807 /nfs/dbraw/zinc/74/18/07/632741807.db2.gz QGRJCSLIWAIVBC-NSHDSACASA-N -1 1 283.368 2.511 20 30 CFEDMM CC[C@H](CC#N)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000846990682 632871495 /nfs/dbraw/zinc/87/14/95/632871495.db2.gz DSVAUCJUUMFRKB-GFCCVEGCSA-N -1 1 264.300 2.516 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC000848244658 633222801 /nfs/dbraw/zinc/22/28/01/633222801.db2.gz BOPWJHHPSLHOBD-RNCFNFMXSA-N -1 1 281.739 2.924 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cc3n(n1)CCCC3)O2 ZINC000848638370 633305750 /nfs/dbraw/zinc/30/57/50/633305750.db2.gz GVXSJJLDYVFYRZ-NVNXTCNLSA-N -1 1 296.326 2.850 20 30 CFEDMM O=C(/C=C/c1ccnn1CC1CC1)c1cc(O)ccc1[O-] ZINC000849246842 633589950 /nfs/dbraw/zinc/58/99/50/633589950.db2.gz LUTYUQYJYDWKNF-HWKANZROSA-N -1 1 284.315 2.600 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc2c(c1)CCCO2 ZINC000853254389 634953295 /nfs/dbraw/zinc/95/32/95/634953295.db2.gz TWQHJPPKVOXLLA-UHFFFAOYSA-N -1 1 298.346 2.652 20 30 CFEDMM C#CC[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000855008048 635440566 /nfs/dbraw/zinc/44/05/66/635440566.db2.gz WSUZMIXUWZFJTR-ZDUSSCGKSA-N -1 1 294.354 2.816 20 30 CFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnc2ccccc2c1O ZINC000856199545 635754210 /nfs/dbraw/zinc/75/42/10/635754210.db2.gz AJIOURSTLXWNMQ-TXEJJXNPSA-N -1 1 295.342 2.659 20 30 CFEDMM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(Cl)[n-]c(=O)n1 ZINC000858633983 636315115 /nfs/dbraw/zinc/31/51/15/636315115.db2.gz JKZIILXHAMSAME-DTORHVGOSA-N -1 1 251.717 2.523 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1coc2ccc(C)cc12 ZINC000862132696 637278871 /nfs/dbraw/zinc/27/88/71/637278871.db2.gz JUSJZSRDWQQVIJ-LLVKDONJSA-N -1 1 259.305 2.906 20 30 CFEDMM C#C[C@H](C)[N@H+](C)Cc1c(O)cccc1Br ZINC000862349196 637326278 /nfs/dbraw/zinc/32/62/78/637326278.db2.gz SGFCMCAXZFWLGS-VIFPVBQESA-N -1 1 268.154 2.608 20 30 CFEDMM C=C(C)C[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000864530757 638014321 /nfs/dbraw/zinc/01/43/21/638014321.db2.gz LMEOQOQKJHZIFZ-CYBMUJFWSA-N -1 1 259.305 2.942 20 30 CFEDMM CCCn1cc(/C=C/C(=O)c2cc(C)ccc2[O-])nn1 ZINC000865220267 638226537 /nfs/dbraw/zinc/22/65/37/638226537.db2.gz GUOKPAALYXPJMI-FNORWQNLSA-N -1 1 271.320 2.598 20 30 CFEDMM C[C@@H](CC(F)(F)F)C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690455 639773799 /nfs/dbraw/zinc/77/37/99/639773799.db2.gz PCUCHFILOUHRHN-QMMMGPOBSA-N -1 1 272.226 2.557 20 30 CFEDMM O=C(/C=C\c1cc2n(n1)CCCC2)c1cccc([O-])c1F ZINC000871672777 641396460 /nfs/dbraw/zinc/39/64/60/641396460.db2.gz YCTUDYSAIHBGPY-FPLPWBNLSA-N -1 1 286.306 2.960 20 30 CFEDMM Cc1cc(NN=C2CCc3cccc(C(=O)[O-])c32)nc(C)n1 ZINC000872343226 641760435 /nfs/dbraw/zinc/76/04/35/641760435.db2.gz SOGGJWYAKAFRJY-UHFFFAOYSA-N -1 1 296.330 2.554 20 30 CFEDMM Cc1ncc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000194680214 650723930 /nfs/dbraw/zinc/72/39/30/650723930.db2.gz ILJGGGBGVSYEJF-LBPRGKRZSA-N -1 1 299.355 2.721 20 30 CFEDMM C#CC1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000876400240 642852975 /nfs/dbraw/zinc/85/29/75/642852975.db2.gz WWGJVFNQNVVBAD-UHFFFAOYSA-N -1 1 292.766 2.600 20 30 CFEDMM CC(C)N(CCC#N)Cc1ccc(F)c(F)c1[O-] ZINC000876610998 642943434 /nfs/dbraw/zinc/94/34/34/642943434.db2.gz ODLHFXIUXHIIRZ-UHFFFAOYSA-N -1 1 254.280 2.794 20 30 CFEDMM N#Cc1ccc(C(=O)N(Cc2ccoc2)C2CC2)cc1[O-] ZINC000889092267 647493889 /nfs/dbraw/zinc/49/38/89/647493889.db2.gz XQUBNUPVFAVVBO-UHFFFAOYSA-N -1 1 282.299 2.662 20 30 CFEDMM C#CCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)C(C)C ZINC000928628980 648938463 /nfs/dbraw/zinc/93/84/63/648938463.db2.gz VBXNOKBNMQXHMY-UHFFFAOYSA-N -1 1 295.766 2.928 20 30 CFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccoc1 ZINC000113141321 651184837 /nfs/dbraw/zinc/18/48/37/651184837.db2.gz ODKKZAAQJINOBX-LBPRGKRZSA-N -1 1 298.298 2.639 20 30 CFEDMM COc1cnc(-c2c(F)ccc([O-])c2F)c(C#N)c1 ZINC001241290669 782282036 /nfs/dbraw/zinc/28/20/36/782282036.db2.gz AJBHUSNDQDLADO-UHFFFAOYSA-N -1 1 262.215 2.613 20 30 CFEDMM C#CC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000692316938 770565131 /nfs/dbraw/zinc/56/51/31/770565131.db2.gz PIKWKLKWFILLCS-UHFFFAOYSA-N -1 1 263.724 2.531 20 30 CFEDMM COc1ncc(Nc2c(C)cc(C#N)cc2C#N)cc1[O-] ZINC001216209980 770794941 /nfs/dbraw/zinc/79/49/41/770794941.db2.gz QZUUSQZAEBLLPG-UHFFFAOYSA-N -1 1 280.287 2.591 20 30 CFEDMM C=C[C@H](CCCC)Oc1[n-]c(=S)ncc1OC ZINC001226245524 775752777 /nfs/dbraw/zinc/75/27/77/775752777.db2.gz KGQNWDJPOLKLMX-SECBINFHSA-N -1 1 254.355 2.898 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)C(=O)OCC ZINC001227120632 776106986 /nfs/dbraw/zinc/10/69/86/776106986.db2.gz PHBRDXBZCQNMTB-NSHDSACASA-N -1 1 292.331 2.654 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC1CN(C(C)C)C1 ZINC001227120894 776107097 /nfs/dbraw/zinc/10/70/97/776107097.db2.gz VXVXYJJMKPKMCB-UHFFFAOYSA-N -1 1 289.375 2.795 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1COC[C@@H]1C ZINC001227119432 776107130 /nfs/dbraw/zinc/10/71/30/776107130.db2.gz UJFPIZFXOCUCEC-BONVTDFDSA-N -1 1 276.332 2.737 20 30 CFEDMM C=CC[C@H](CC)NC(=O)NCCc1c(F)cc([O-])cc1F ZINC001227347307 776181367 /nfs/dbraw/zinc/18/13/67/776181367.db2.gz JFPJLTLENCGNQM-JTQLQIEISA-N -1 1 298.333 2.867 20 30 CFEDMM C#C[C@H](Oc1cc(Cl)c([O-])cc1Cl)C(=O)OCC ZINC001227647299 776249518 /nfs/dbraw/zinc/24/95/18/776249518.db2.gz XMBUUUQRNYPYHP-JTQLQIEISA-N -1 1 289.114 2.643 20 30 CFEDMM N#Cc1ccc([O-])cc1OC[C@@H]1COc2cscc2O1 ZINC001228006448 776359847 /nfs/dbraw/zinc/35/98/47/776359847.db2.gz BWIZVGWDXATNOR-LLVKDONJSA-N -1 1 289.312 2.544 20 30 CFEDMM COC(=O)C[C@@H]1CCC[C@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228006864 776360536 /nfs/dbraw/zinc/36/05/36/776360536.db2.gz KCAQBNQHTAAZIP-RISCZKNCSA-N -1 1 289.331 2.765 20 30 CFEDMM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cnnc(=S)[n-]1 ZINC001228635586 776547668 /nfs/dbraw/zinc/54/76/68/776547668.db2.gz BUDFRQWXILRHCJ-OUAUKWLOSA-N -1 1 265.382 2.920 20 30 CFEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000692896932 776571951 /nfs/dbraw/zinc/57/19/51/776571951.db2.gz YOABIUYSPWAIQV-QMMMGPOBSA-N -1 1 292.763 2.507 20 30 CFEDMM C=C1O[C@H](C)C(=O)C1Oc1[n-]c(=S)nc2ccccc21 ZINC001228766427 776603175 /nfs/dbraw/zinc/60/31/75/776603175.db2.gz SOOLNUBPAPPQAB-SSDOTTSWSA-N -1 1 288.328 2.517 20 30 CFEDMM N#CC1CCC(Oc2cc([O-])cc3oc(=O)ccc23)CC1 ZINC001229128788 776726781 /nfs/dbraw/zinc/72/67/81/776726781.db2.gz DEDASPMHLNSJSI-UHFFFAOYSA-N -1 1 285.299 2.960 20 30 CFEDMM C#C[C@H](CCC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229136137 776728838 /nfs/dbraw/zinc/72/88/38/776728838.db2.gz SVPJELUJDZDSGJ-LLVKDONJSA-N -1 1 258.273 2.679 20 30 CFEDMM C[C@H](C#C[Si](C)(C)C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395595 776800126 /nfs/dbraw/zinc/80/01/26/776800126.db2.gz JNTRRNAWXAKCJF-SNVBAGLBSA-N -1 1 279.368 2.949 20 30 CFEDMM C#C[C@H](Oc1cc([O-])c(Cl)cc1Cl)C(=O)OCC ZINC001229405947 776802992 /nfs/dbraw/zinc/80/29/92/776802992.db2.gz FKVNORHCDYYIPO-JTQLQIEISA-N -1 1 289.114 2.643 20 30 CFEDMM CCCCOC(=O)[C@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229737371 776883452 /nfs/dbraw/zinc/88/34/52/776883452.db2.gz WESBGKGTYZUZGA-JASJWYONSA-N -1 1 279.336 2.995 20 30 CFEDMM Cc1cc([O-])c(O[C@@H]2CC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC001229749450 776885954 /nfs/dbraw/zinc/88/59/54/776885954.db2.gz ASGRPHBNMMQHSH-VHSXEESVSA-N -1 1 262.265 2.680 20 30 CFEDMM C#C[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccncc1 ZINC001229753364 776887579 /nfs/dbraw/zinc/88/75/79/776887579.db2.gz HJWLSSYFXRQBMD-AWEZNQCLSA-N -1 1 284.271 2.757 20 30 CFEDMM C#CC(C#C)Oc1ccccc1C(=O)c1ccc([O-])cc1 ZINC001231230793 777175758 /nfs/dbraw/zinc/17/57/58/777175758.db2.gz PGHNOTFWWVONGZ-UHFFFAOYSA-N -1 1 276.291 2.637 20 30 CFEDMM C#C[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001231259064 777179012 /nfs/dbraw/zinc/17/90/12/777179012.db2.gz DZEPDUDMXJIXLD-CYBMUJFWSA-N -1 1 284.271 2.757 20 30 CFEDMM C=C[C@@H](CCC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231265175 777180860 /nfs/dbraw/zinc/18/08/60/777180860.db2.gz ZPOOQNNASIZGLO-VIFPVBQESA-N -1 1 252.270 2.737 20 30 CFEDMM C=CC[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C(C)(C)C ZINC001231455005 777224349 /nfs/dbraw/zinc/22/43/49/777224349.db2.gz UTFVHECJHAOVOU-UHFFFAOYSA-N -1 1 263.337 2.877 20 30 CFEDMM COc1ccc(CN2CCC(C)(C#N)CC2)cc1C(=O)[O-] ZINC001231753954 777324223 /nfs/dbraw/zinc/32/42/23/777324223.db2.gz OLUNFIAUBCQNRQ-UHFFFAOYSA-N -1 1 288.347 2.519 20 30 CFEDMM N#Cc1ccc([O-])c(CN2CCCC(F)(F)[C@H](F)C2)c1 ZINC001232673137 777637133 /nfs/dbraw/zinc/63/71/33/777637133.db2.gz ASUZHXRPACVDOK-CYBMUJFWSA-N -1 1 284.281 2.833 20 30 CFEDMM C#C[C@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232973317 777750167 /nfs/dbraw/zinc/75/01/67/777750167.db2.gz TVMQHOIEUVGAST-JTQLQIEISA-N -1 1 251.276 2.516 20 30 CFEDMM N#Cc1ccc(CN2CCCCC(F)(F)C2)c([O-])c1 ZINC001233383467 777928356 /nfs/dbraw/zinc/92/83/56/777928356.db2.gz JCKALWWUJYWDNV-UHFFFAOYSA-N -1 1 266.291 2.885 20 30 CFEDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CC(C#N)C1 ZINC001233497808 777971223 /nfs/dbraw/zinc/97/12/23/777971223.db2.gz RNLHOJSGMIJAQV-UHFFFAOYSA-N -1 1 275.304 2.762 20 30 CFEDMM CC(=O)[C@H](Oc1cc([O-])ccc1C#N)c1ccccc1 ZINC001228006430 777993100 /nfs/dbraw/zinc/99/31/00/777993100.db2.gz AXQODVNXKUMSLH-INIZCTEOSA-N -1 1 267.284 2.973 20 30 CFEDMM COC(=O)c1cccc2[n-]c(OC3CCC(C#N)CC3)nc21 ZINC001234039463 778149297 /nfs/dbraw/zinc/14/92/97/778149297.db2.gz OJCTXAWKSKTFKQ-UHFFFAOYSA-N -1 1 299.330 2.811 20 30 CFEDMM COC(=O)c1cccc2nc(OC3CCC(C#N)CC3)[n-]c21 ZINC001234039463 778149298 /nfs/dbraw/zinc/14/92/98/778149298.db2.gz OJCTXAWKSKTFKQ-UHFFFAOYSA-N -1 1 299.330 2.811 20 30 CFEDMM C#C[C@H](CC(C)C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234476543 778234604 /nfs/dbraw/zinc/23/46/04/778234604.db2.gz MVCUGRATVZRLOU-LLVKDONJSA-N -1 1 262.305 2.727 20 30 CFEDMM C=C[C@H](CCCC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234606452 778264102 /nfs/dbraw/zinc/26/41/02/778264102.db2.gz CGUHESKPGKJRQS-SECBINFHSA-N -1 1 283.299 2.837 20 30 CFEDMM C#C[C@H](CCCCC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234606462 778264142 /nfs/dbraw/zinc/26/41/42/778264142.db2.gz CLPOSAMJFUKHOU-SNVBAGLBSA-N -1 1 295.310 2.674 20 30 CFEDMM CCCCOC(=O)[C@@H](C)Oc1ccccc1C=N[O-] ZINC001234818546 778301947 /nfs/dbraw/zinc/30/19/47/778301947.db2.gz AGJGWNQBAOMWJR-LLVKDONJSA-N -1 1 265.309 2.605 20 30 CFEDMM C#C[C@@H](Oc1nc2sccc2[n-]1)c1ccncc1 ZINC001234848215 778308625 /nfs/dbraw/zinc/30/86/25/778308625.db2.gz NVWILCOIRFCJAY-LLVKDONJSA-N -1 1 255.302 2.773 20 30 CFEDMM C[C@@]1(C(=O)Nc2ccc(C#N)cc2[O-])CC=CCC1 ZINC001142547755 778407569 /nfs/dbraw/zinc/40/75/69/778407569.db2.gz GJNKRNGKKLFOCY-OAHLLOKOSA-N -1 1 256.305 2.949 20 30 CFEDMM N#Cc1c[nH]c2ccnc(-c3ccc(C(=O)[O-])cc3)c12 ZINC001236054967 778670678 /nfs/dbraw/zinc/67/06/78/778670678.db2.gz FYVMHZWQLZORLO-UHFFFAOYSA-N -1 1 263.256 2.800 20 30 CFEDMM N#C[C@@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125801 779020019 /nfs/dbraw/zinc/02/00/19/779020019.db2.gz FJCCDDDWGRFMSF-VIFPVBQESA-N -1 1 268.719 2.920 20 30 CFEDMM CC1=C(Oc2c([O-])cc(Cl)cc2F)C(=O)[C@@H](C)O1 ZINC001234448548 779229523 /nfs/dbraw/zinc/22/95/23/779229523.db2.gz UOUQPRUQAWAYAJ-RXMQYKEDSA-N -1 1 272.659 2.783 20 30 CFEDMM CS(=O)(=O)c1ccccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001239775818 779764585 /nfs/dbraw/zinc/76/45/85/779764585.db2.gz RGGKRXSZJMNWBW-CXUHLZMHSA-N -1 1 293.319 2.704 20 30 CFEDMM [O-]/N=C/c1ccc(-c2cnn(C3CCOCC3)c2)cc1F ZINC001240092695 779941491 /nfs/dbraw/zinc/94/14/91/779941491.db2.gz OQIRWBCWONWBAV-GIJQJNRQSA-N -1 1 289.310 2.849 20 30 CFEDMM COc1cc(-c2ccccc2C=N[O-])cnc1OC ZINC001240623611 780302605 /nfs/dbraw/zinc/30/26/05/780302605.db2.gz KSDKSGNVZVZBSB-UHFFFAOYSA-N -1 1 258.277 2.574 20 30 CFEDMM C#CCC1([N-]S(=O)(=O)c2cc3ccccc3o2)CCC1 ZINC000922048517 780384840 /nfs/dbraw/zinc/38/48/40/780384840.db2.gz ZWNNRSJAAKGMEM-UHFFFAOYSA-N -1 1 289.356 2.657 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1-c1nccc2[nH]cc(C#N)c21 ZINC001240733774 780401224 /nfs/dbraw/zinc/40/12/24/780401224.db2.gz JQEVEBVAVYGUAY-UHFFFAOYSA-N -1 1 293.282 2.808 20 30 CFEDMM N#Cc1cc(N)c(Nc2cc(F)cc(F)c2[O-])cc1C#N ZINC001212489634 780409469 /nfs/dbraw/zinc/40/94/69/780409469.db2.gz WDDAJTBBLMSXME-UHFFFAOYSA-N -1 1 286.241 2.740 20 30 CFEDMM COC(=O)c1cc(-c2ccc([O-])c(F)c2)ccc1C#N ZINC001240787528 780442397 /nfs/dbraw/zinc/44/23/97/780442397.db2.gz JMZPZAOHXXUJBO-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM CCOC(=O)[C@H](CC)Oc1ccccc1/C(C)=N/[O-] ZINC001229737368 780462223 /nfs/dbraw/zinc/46/22/23/780462223.db2.gz WBDFROMMQOVMQB-XBUHWIKASA-N -1 1 265.309 2.605 20 30 CFEDMM COC(=O)c1ccc(C#N)cc1-c1c(F)cc([O-])cc1F ZINC001241121901 780650714 /nfs/dbraw/zinc/65/07/14/780650714.db2.gz RUUFFRMJUWMAQR-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM COC(=O)c1ccc(-c2cc([O-])cc(F)c2)c(C#N)c1 ZINC001241266118 780744964 /nfs/dbraw/zinc/74/49/64/780744964.db2.gz FGKXAHXEESSVLS-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM N#Cc1ncc(-c2c(F)ccc([O-])c2F)cc1F ZINC001241293221 780763375 /nfs/dbraw/zinc/76/33/75/780763375.db2.gz TYIIYKSBADBHPH-UHFFFAOYSA-N -1 1 250.179 2.743 20 30 CFEDMM COC(=O)c1ccc(Nc2cccc([O-])c2F)c(C#N)c1 ZINC001212553420 781050400 /nfs/dbraw/zinc/05/04/00/781050400.db2.gz RPPOZYFFKMRQLI-UHFFFAOYSA-N -1 1 286.262 2.933 20 30 CFEDMM CCOC(=O)c1nc2ccc(-c3cccnc3C#N)cc2[n-]1 ZINC001242313274 781391199 /nfs/dbraw/zinc/39/11/99/781391199.db2.gz ZMCGKKVHJAVTEZ-UHFFFAOYSA-N -1 1 292.298 2.673 20 30 CFEDMM CCOC(=O)c1nc2cc(-c3cccnc3C#N)ccc2[n-]1 ZINC001242313274 781391208 /nfs/dbraw/zinc/39/12/08/781391208.db2.gz ZMCGKKVHJAVTEZ-UHFFFAOYSA-N -1 1 292.298 2.673 20 30 CFEDMM CC(=O)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cn1 ZINC001242402297 781468332 /nfs/dbraw/zinc/46/83/32/781468332.db2.gz WWVWGRQSWGKNMH-CAOOACKPSA-N -1 1 258.252 2.898 20 30 CFEDMM COc1cc(-c2cc(/C=N/[O-])ccc2F)c(OC)cn1 ZINC001242427568 781492433 /nfs/dbraw/zinc/49/24/33/781492433.db2.gz GBSIREYXRFIIPE-REZTVBANSA-N -1 1 276.267 2.713 20 30 CFEDMM N#Cc1cc(-c2cc(OC(F)F)ccn2)ccc1[O-] ZINC001242562239 781599768 /nfs/dbraw/zinc/59/97/68/781599768.db2.gz NDXXGIICLWSNRJ-UHFFFAOYSA-N -1 1 262.215 2.927 20 30 CFEDMM COC(=O)c1c[nH]c2nc(-c3ccc([O-])c(C#N)c3)ccc12 ZINC001242562535 781600326 /nfs/dbraw/zinc/60/03/26/781600326.db2.gz CLLMLVSDIUWEPT-UHFFFAOYSA-N -1 1 293.282 2.594 20 30 CFEDMM Cc1nc2ncc(-c3ccc([O-])c(C#N)c3)cc2o1 ZINC001242564779 781603369 /nfs/dbraw/zinc/60/33/69/781603369.db2.gz TUAAMUDWBCGWLN-UHFFFAOYSA-N -1 1 251.245 2.776 20 30 CFEDMM COc1cc(OC)c(-c2ccc([O-])c(C#N)c2)c(OC)c1 ZINC001242565209 781603778 /nfs/dbraw/zinc/60/37/78/781603778.db2.gz QTSXLLJJSBAQAT-UHFFFAOYSA-N -1 1 285.299 2.957 20 30 CFEDMM CC(C)(C)NC(=O)c1cncc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242566509 781607033 /nfs/dbraw/zinc/60/70/33/781607033.db2.gz CODYREFKHAAMLD-UHFFFAOYSA-N -1 1 295.342 2.854 20 30 CFEDMM CCOC(=O)COc1ccccc1-c1ccc([O-])c(C#N)c1 ZINC001242567213 781607507 /nfs/dbraw/zinc/60/75/07/781607507.db2.gz SAKQOEBJLRYAIQ-UHFFFAOYSA-N -1 1 297.310 2.873 20 30 CFEDMM COc1c(C(=O)[O-])cccc1-c1nccc2[nH]cc(C#N)c21 ZINC001242920363 781842549 /nfs/dbraw/zinc/84/25/49/781842549.db2.gz CCONLAKDRCDNNB-UHFFFAOYSA-N -1 1 293.282 2.808 20 30 CFEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccncc1 ZINC000188548741 529667674 /nfs/dbraw/zinc/66/76/74/529667674.db2.gz VWLGYCHLXLUIPI-CQSZACIVSA-N -1 1 281.315 2.540 20 30 CFEDMM CCc1nnc([N-]C(=O)c2conc2C2CC2)s1 ZINC000329217511 529769507 /nfs/dbraw/zinc/76/95/07/529769507.db2.gz QGTSEWFJHSORNK-UHFFFAOYSA-N -1 1 264.310 2.602 20 30 CFEDMM N#CC1(CN=c2[n-]c(C3CCC3)no2)CCCCC1 ZINC000596499477 349921107 /nfs/dbraw/zinc/92/11/07/349921107.db2.gz SIANLGXDKUDZTC-UHFFFAOYSA-N -1 1 260.341 2.645 20 30 CFEDMM N#CC1(CN=c2nc(C3CCC3)[n-]o2)CCCCC1 ZINC000596499477 349921110 /nfs/dbraw/zinc/92/11/10/349921110.db2.gz SIANLGXDKUDZTC-UHFFFAOYSA-N -1 1 260.341 2.645 20 30 CFEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000174650159 232298162 /nfs/dbraw/zinc/29/81/62/232298162.db2.gz BILJVKJOLLJJOY-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM CC(C)(C#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000040349734 346345868 /nfs/dbraw/zinc/34/58/68/346345868.db2.gz BONVZZWYAPFKOJ-UHFFFAOYSA-N -1 1 299.204 2.635 20 30 CFEDMM C=CCN(Cc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000109961400 347747408 /nfs/dbraw/zinc/74/74/08/347747408.db2.gz FGSJDPSDOFUANS-UHFFFAOYSA-N -1 1 268.316 2.616 20 30 CFEDMM N#CCCCCCC(=O)Nc1ccc(F)cc1[O-] ZINC000588649264 348790446 /nfs/dbraw/zinc/79/04/46/348790446.db2.gz CRPUVDMQQGWWCO-UHFFFAOYSA-N -1 1 250.273 2.944 20 30 CFEDMM CCN(Cc1ccoc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589175518 348816327 /nfs/dbraw/zinc/81/63/27/348816327.db2.gz OIZJAXHBJJZTJW-UHFFFAOYSA-N -1 1 270.288 2.519 20 30 CFEDMM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589186865 348817112 /nfs/dbraw/zinc/81/71/12/348817112.db2.gz LEABRPIQNSVBIZ-GHMZBOCLSA-N -1 1 260.337 2.818 20 30 CFEDMM C[C@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C[C@@H](C)C1 ZINC000589183672 348817120 /nfs/dbraw/zinc/81/71/20/348817120.db2.gz FCTUDRVNPUNAAX-YABSGUDNSA-N -1 1 272.348 2.818 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC2(C3CC3)CCC2)c1 ZINC000589194023 348818170 /nfs/dbraw/zinc/81/81/70/348818170.db2.gz PTSKQMUFKZABDO-UHFFFAOYSA-N -1 1 270.332 2.574 20 30 CFEDMM Cc1cc2c(cc1NC(=O)c1cc([O-])cc(C#N)c1)OCO2 ZINC000589199305 348819107 /nfs/dbraw/zinc/81/91/07/348819107.db2.gz AXPWSCRYGBMOIQ-UHFFFAOYSA-N -1 1 296.282 2.553 20 30 CFEDMM C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C[C@@H](C)C1 ZINC000589195992 348819177 /nfs/dbraw/zinc/81/91/77/348819177.db2.gz WAUHWUASMGSMGZ-RYUDHWBXSA-N -1 1 272.348 2.772 20 30 CFEDMM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589527575 348838171 /nfs/dbraw/zinc/83/81/71/348838171.db2.gz RANZMJMBYPYWSG-HWPZZCPQSA-N -1 1 294.310 2.516 20 30 CFEDMM CN(C)c1cc(C#N)cc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000590317820 348893200 /nfs/dbraw/zinc/89/32/00/348893200.db2.gz MPRGENBQAMASCQ-UHFFFAOYSA-N -1 1 299.305 2.721 20 30 CFEDMM C[C@H]1CCCC[C@@]1(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000590893884 348963018 /nfs/dbraw/zinc/96/30/18/348963018.db2.gz RXUGRCGZNNCZIU-MEDUHNTESA-N -1 1 272.348 2.962 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H](C3CCCC3)C2)c1 ZINC000591536588 349029149 /nfs/dbraw/zinc/02/91/49/349029149.db2.gz KWAVPRQNVGKMFU-CQSZACIVSA-N -1 1 284.359 2.916 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@H](C3CC3)C2)cc1[O-] ZINC000329692162 539721101 /nfs/dbraw/zinc/72/11/01/539721101.db2.gz GTZQDBJOZUEDTD-AWEZNQCLSA-N -1 1 270.332 2.526 20 30 CFEDMM CC(C)C[C@H](C#N)NC(=O)c1ncc2ccccc2c1[O-] ZINC000597076861 350024979 /nfs/dbraw/zinc/02/49/79/350024979.db2.gz UUFSVDMKDGXHQW-GFCCVEGCSA-N -1 1 283.331 2.608 20 30 CFEDMM N#CC[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000597896732 350151131 /nfs/dbraw/zinc/15/11/31/350151131.db2.gz DJSVWIOPKKTWBO-LBPRGKRZSA-N -1 1 295.342 2.706 20 30 CFEDMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000598299299 350229072 /nfs/dbraw/zinc/22/90/72/350229072.db2.gz GQIAKMRPDDZUAL-VXGBXAGGSA-N -1 1 272.348 2.915 20 30 CFEDMM N#CC1(CNC(=O)c2ccc([O-])cc2F)CCCCC1 ZINC000598310766 350232097 /nfs/dbraw/zinc/23/20/97/350232097.db2.gz MGYWCXNLGINLMJ-UHFFFAOYSA-N -1 1 276.311 2.735 20 30 CFEDMM CCN(C(=O)c1cc(Br)ccc1[O-])[C@@H](C)C#N ZINC000598351610 350243632 /nfs/dbraw/zinc/24/36/32/350243632.db2.gz WZNPNAXSFCUZNB-QMMMGPOBSA-N -1 1 297.152 2.529 20 30 CFEDMM C[C@H]1CCc2[n-]n(Cc3ccc(C#N)cc3)c(=O)c2C1 ZINC000601947427 350814542 /nfs/dbraw/zinc/81/45/42/350814542.db2.gz RRQNHEPWHMIJRY-FZMZJTMJSA-N -1 1 267.332 2.693 20 30 CFEDMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCC[C@H]1C#N ZINC000601824744 350787903 /nfs/dbraw/zinc/78/79/03/350787903.db2.gz XTYFVYVVHZJTER-JOYOIKCWSA-N -1 1 278.739 2.810 20 30 CFEDMM CCc1c(-c2cccc(OC)c2)[n-]n([C@@H](C)CC#N)c1=O ZINC000601936780 350808835 /nfs/dbraw/zinc/80/88/35/350808835.db2.gz UXDYIZGJVIZFHT-SMDDNHRTSA-N -1 1 285.347 2.570 20 30 CFEDMM CCc1c(-c2ccccc2)[n-]n(-c2oc(C)nc2C#N)c1=O ZINC000601941588 350811306 /nfs/dbraw/zinc/81/13/06/350811306.db2.gz XOPNKTCJNKIPIE-LBPRGKRZSA-N -1 1 294.314 2.632 20 30 CFEDMM CC[C@H](CC#N)NC(=O)N=c1[n-]sc2ccccc21 ZINC000603052989 351096053 /nfs/dbraw/zinc/09/60/53/351096053.db2.gz YONDYFBRBRXTSM-SECBINFHSA-N -1 1 274.349 2.532 20 30 CFEDMM CS[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614299380 352076980 /nfs/dbraw/zinc/07/69/80/352076980.db2.gz LIBKWZHAMREFJZ-OCCSQVGLSA-N -1 1 290.388 2.668 20 30 CFEDMM CC(C)(C)c1ncc(NC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000614297954 352077003 /nfs/dbraw/zinc/07/70/03/352077003.db2.gz HEGDFTYFRZETMU-UHFFFAOYSA-N -1 1 296.330 2.604 20 30 CFEDMM C[C@@H]1Cc2ccccc2N1C(=O)c1cc([O-])cc(C#N)c1 ZINC000614358639 352084064 /nfs/dbraw/zinc/08/40/64/352084064.db2.gz DINZWGLVCULLGM-LLVKDONJSA-N -1 1 278.311 2.855 20 30 CFEDMM C[C@H]1Cc2ccccc2N1C(=O)c1cc([O-])cc(C#N)c1 ZINC000614358640 352084406 /nfs/dbraw/zinc/08/44/06/352084406.db2.gz DINZWGLVCULLGM-NSHDSACASA-N -1 1 278.311 2.855 20 30 CFEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614361330 352085167 /nfs/dbraw/zinc/08/51/67/352085167.db2.gz BOVRMRPGKOPVHL-UHFFFAOYSA-N -1 1 266.300 2.931 20 30 CFEDMM Cc1nc(C)c(NC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000614720503 352114321 /nfs/dbraw/zinc/11/43/21/352114321.db2.gz LEBIZKBDXXARGK-UHFFFAOYSA-N -1 1 273.317 2.590 20 30 CFEDMM C=CCC(CC=C)C(=O)N=c1[nH][n-]c(C)c1Br ZINC000616007814 352272906 /nfs/dbraw/zinc/27/29/06/352272906.db2.gz YKJRWKNYOHVDOE-UHFFFAOYSA-N -1 1 298.184 2.609 20 30 CFEDMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000616171677 352296127 /nfs/dbraw/zinc/29/61/27/352296127.db2.gz XAAFJSDMYNLXLU-GRYCIOLGSA-N -1 1 272.348 2.770 20 30 CFEDMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000619420399 353019478 /nfs/dbraw/zinc/01/94/78/353019478.db2.gz OYCGPKASWPGVFR-PRHODGIISA-N -1 1 298.264 2.677 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCCc2ccccc2F)c1 ZINC000619456760 353026237 /nfs/dbraw/zinc/02/62/37/353026237.db2.gz ZTRFYJMZLLVAQQ-UHFFFAOYSA-N -1 1 298.317 2.766 20 30 CFEDMM CC[C@H](CC#N)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582703 353038186 /nfs/dbraw/zinc/03/81/86/353038186.db2.gz OPMUGGMIWFFGCD-SECBINFHSA-N -1 1 286.253 2.833 20 30 CFEDMM CC#CCCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378172 354796184 /nfs/dbraw/zinc/79/61/84/354796184.db2.gz PFXPDGFEPZWUKN-UHFFFAOYSA-N -1 1 283.331 2.710 20 30 CFEDMM C=C1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000630930940 355221079 /nfs/dbraw/zinc/22/10/79/355221079.db2.gz KMTXGUYGCMSCRD-UHFFFAOYSA-N -1 1 265.740 2.767 20 30 CFEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632409889 355698059 /nfs/dbraw/zinc/69/80/59/355698059.db2.gz NNZJDGFLTGEZAP-UHFFFAOYSA-N -1 1 279.308 2.708 20 30 CFEDMM C[C@@]12CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000569076952 290585005 /nfs/dbraw/zinc/58/50/05/290585005.db2.gz DRCYJCMZKUKQNS-IQFXKTMKSA-N -1 1 294.354 2.548 20 30 CFEDMM N#Cc1cnc2ccc(-c3ccc(F)c([O-])c3)cn12 ZINC001243052062 781957595 /nfs/dbraw/zinc/95/75/95/781957595.db2.gz URFXPJZCQAKTFL-UHFFFAOYSA-N -1 1 253.236 2.718 20 30 CFEDMM CCC1(CC)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000443277850 241049198 /nfs/dbraw/zinc/04/91/98/241049198.db2.gz UIGBXDBTSDLQBD-UHFFFAOYSA-N -1 1 272.348 2.916 20 30 CFEDMM CCC1(NC(=O)c2ccc(C#N)c([O-])c2)CCCC1 ZINC000452945205 243343653 /nfs/dbraw/zinc/34/36/53/243343653.db2.gz FFTMOHNFZNKZRM-UHFFFAOYSA-N -1 1 258.321 2.716 20 30 CFEDMM CCCCCCCC(=O)Nc1nc(SC)n[nH]1 ZINC000263890858 383689158 /nfs/dbraw/zinc/68/91/58/383689158.db2.gz ZSZVCBHNWCIUGW-UHFFFAOYSA-N -1 1 256.375 2.826 20 30 CFEDMM CC(C)CCO[C@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000049288489 373284695 /nfs/dbraw/zinc/28/46/95/373284695.db2.gz UHLSRTNRQNWNJD-SSDOTTSWSA-N -1 1 294.277 2.863 20 30 CFEDMM N#Cc1c[nH]c2cc(-c3ccc(F)c([O-])c3)cnc12 ZINC001243062476 781963910 /nfs/dbraw/zinc/96/39/10/781963910.db2.gz PBSHWJWVLRQMJJ-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM CCC(C#N)(CC)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000529492096 383708680 /nfs/dbraw/zinc/70/86/80/383708680.db2.gz DYUKEWHXGOKGRH-UHFFFAOYSA-N -1 1 288.376 2.829 20 30 CFEDMM N#Cc1cc(F)c(C(=O)Nc2cc(F)ccc2[O-])c(F)c1 ZINC000151339816 378318987 /nfs/dbraw/zinc/31/89/87/378318987.db2.gz YKTOSSXQLJXLGD-UHFFFAOYSA-N -1 1 292.216 2.933 20 30 CFEDMM CC[C@@H](C#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000158808894 378673648 /nfs/dbraw/zinc/67/36/48/378673648.db2.gz GDFKHKBQBPMCEU-LBPRGKRZSA-N -1 1 254.289 2.577 20 30 CFEDMM CC[C@](C)(C#N)C(=O)Nc1ccc([O-])c(F)c1F ZINC000335219871 380026899 /nfs/dbraw/zinc/02/68/99/380026899.db2.gz SXVSGQRYJSZHNR-GFCCVEGCSA-N -1 1 254.236 2.549 20 30 CFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000179029321 380501560 /nfs/dbraw/zinc/50/15/60/380501560.db2.gz VOLCOSQILZTCET-UHFFFAOYSA-N -1 1 297.339 2.539 20 30 CFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCC2=CCCCCC2)o1 ZINC000287627053 380890748 /nfs/dbraw/zinc/89/07/48/380890748.db2.gz BCTHOMXYFAEKBV-UHFFFAOYSA-N -1 1 294.376 2.710 20 30 CFEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)CC(F)(F)F ZINC000412650706 381384140 /nfs/dbraw/zinc/38/41/40/381384140.db2.gz DFYVHGPXXGVZPI-MRVPVSSYSA-N -1 1 286.253 2.582 20 30 CFEDMM C#CCO[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000291300859 381740862 /nfs/dbraw/zinc/74/08/62/381740862.db2.gz QOHVAGZNQXXQRR-UHFFFAOYSA-N -1 1 287.359 2.622 20 30 CFEDMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000356679648 381859163 /nfs/dbraw/zinc/85/91/63/381859163.db2.gz BBWDLVJWAIWAJC-GRYCIOLGSA-N -1 1 272.348 2.770 20 30 CFEDMM C=CCC(C)(C)CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000293795533 382283748 /nfs/dbraw/zinc/28/37/48/382283748.db2.gz PACGPOPTXCYSAT-UHFFFAOYSA-N -1 1 295.408 2.545 20 30 CFEDMM C=CCC[C@H](C(=O)[N-]OC[C@H]1CCOC1)c1ccccc1 ZINC000187872622 382285079 /nfs/dbraw/zinc/28/50/79/382285079.db2.gz WYRPDMULODJVMH-HOCLYGCPSA-N -1 1 289.375 2.821 20 30 CFEDMM C=CCC(C)(C)CNC(=O)c1ccc([O-])cc1F ZINC000293847142 382304812 /nfs/dbraw/zinc/30/48/12/382304812.db2.gz UOXWYVVYVJDZDI-UHFFFAOYSA-N -1 1 251.301 2.863 20 30 CFEDMM C[C@H]1CC(NC(=O)c2ccc(C#N)c([O-])c2)C[C@H](C)C1 ZINC000188492874 382424399 /nfs/dbraw/zinc/42/43/99/382424399.db2.gz FPXMHWFYIKHVBA-GHMZBOCLSA-N -1 1 272.348 2.818 20 30 CFEDMM CC[C@@H](C)CN(CC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188610651 382442927 /nfs/dbraw/zinc/44/29/27/382442927.db2.gz HEZVJCZTBIJMSB-LLVKDONJSA-N -1 1 260.337 2.772 20 30 CFEDMM CCC1(CNC(=O)c2ccc(C#N)c([O-])c2)CCCC1 ZINC000188753205 382470049 /nfs/dbraw/zinc/47/00/49/382470049.db2.gz LOBUUAUJMPHWBP-UHFFFAOYSA-N -1 1 272.348 2.964 20 30 CFEDMM C=CCCC[C@H](C)N=c1[n-]c(C(=O)OCC)cs1 ZINC000398111237 382634957 /nfs/dbraw/zinc/63/49/57/382634957.db2.gz YOXHIUQZLDPPBB-JTQLQIEISA-N -1 1 268.382 2.898 20 30 CFEDMM C=CCC1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCC1 ZINC000189910673 382644747 /nfs/dbraw/zinc/64/47/47/382644747.db2.gz BOGHYEQKMNBDBZ-UHFFFAOYSA-N -1 1 274.246 2.508 20 30 CFEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000190349405 382663261 /nfs/dbraw/zinc/66/32/61/382663261.db2.gz FRVMEWDUAFFCDI-UHFFFAOYSA-N -1 1 294.354 2.971 20 30 CFEDMM C=C[C@@](C)(CC)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000191137311 382692449 /nfs/dbraw/zinc/69/24/49/382692449.db2.gz DEKGJSGALQMTGC-AWEZNQCLSA-N -1 1 274.324 2.914 20 30 CFEDMM C[C@H](C1CCC1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442673867 382944897 /nfs/dbraw/zinc/94/48/97/382944897.db2.gz UMAJUWJYLGXUKL-SNVBAGLBSA-N -1 1 258.321 2.524 20 30 CFEDMM C=C(C)Cn1[n-]c2c(c1=O)CCCc1ccccc1-2 ZINC000634603473 383265799 /nfs/dbraw/zinc/26/57/99/383265799.db2.gz AFHWIRLUFHZERG-AWEZNQCLSA-N -1 1 254.333 2.762 20 30 CFEDMM N#C[C@H]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000424966974 383299066 /nfs/dbraw/zinc/29/90/66/383299066.db2.gz OQYNBMBJBCWUKN-WCBMZHEXSA-N -1 1 298.264 2.833 20 30 CFEDMM Cc1nc(SCC#Cc2ccccc2)[n-]c(=O)c1C ZINC000478732343 383397569 /nfs/dbraw/zinc/39/75/69/383397569.db2.gz JXDNIFZZTKKGGQ-UHFFFAOYSA-N -1 1 270.357 2.943 20 30 CFEDMM CC(C)n1cc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cn1 ZINC000527482701 383469341 /nfs/dbraw/zinc/46/93/41/383469341.db2.gz NXRIAUDEVGENFU-LLVKDONJSA-N -1 1 298.346 2.532 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H](C2CC2)C2CCC2)cc1[O-] ZINC000569904009 383548449 /nfs/dbraw/zinc/54/84/49/383548449.db2.gz VSVUWSVLASMNNW-OAHLLOKOSA-N -1 1 270.332 2.572 20 30 CFEDMM N#Cc1cccc(C2(NC(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000436599115 383850521 /nfs/dbraw/zinc/85/05/21/383850521.db2.gz CDDOWRANGOQTGE-UHFFFAOYSA-N -1 1 296.301 2.822 20 30 CFEDMM C=CCN(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436646298 383862184 /nfs/dbraw/zinc/86/21/84/383862184.db2.gz HDYLHDUWQGBNHW-UHFFFAOYSA-N -1 1 295.338 2.790 20 30 CFEDMM C=CCCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915406 383897760 /nfs/dbraw/zinc/89/77/60/383897760.db2.gz OKDWARYUCYDIQS-UHFFFAOYSA-N -1 1 292.726 2.735 20 30 CFEDMM C=CCCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915406 383897772 /nfs/dbraw/zinc/89/77/72/383897772.db2.gz OKDWARYUCYDIQS-UHFFFAOYSA-N -1 1 292.726 2.735 20 30 CFEDMM C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000282796690 385390366 /nfs/dbraw/zinc/39/03/66/385390366.db2.gz NTZCEQBHSDBHJE-HNNXBMFYSA-N -1 1 277.320 2.720 20 30 CFEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000281673850 195331746 /nfs/dbraw/zinc/33/17/46/195331746.db2.gz XULAFHKNJBUCBU-SECBINFHSA-N -1 1 275.320 2.598 20 30 CFEDMM CC#CCN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000334253171 393585884 /nfs/dbraw/zinc/58/58/84/393585884.db2.gz WXZMHIAXPFEISL-UHFFFAOYSA-N -1 1 253.301 2.641 20 30 CFEDMM C[C@H]1CCC[C@H](CNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000190987053 393586533 /nfs/dbraw/zinc/58/65/33/393586533.db2.gz OLUUHJZIOBCPKX-RYUDHWBXSA-N -1 1 272.348 2.820 20 30 CFEDMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000080923985 393729156 /nfs/dbraw/zinc/72/91/56/393729156.db2.gz BESHIRYFTCSFIA-UHFFFAOYSA-N -1 1 286.356 2.921 20 30 CFEDMM C[C@@H](CC#N)NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338383209 393785824 /nfs/dbraw/zinc/78/58/24/393785824.db2.gz KVPMUHIOQORDPV-QMMMGPOBSA-N -1 1 289.722 2.626 20 30 CFEDMM C=CCCCC[N-]S(=O)(=O)c1sccc1F ZINC000338954015 393807326 /nfs/dbraw/zinc/80/73/26/393807326.db2.gz HHOUSOUUOUBCBL-UHFFFAOYSA-N -1 1 263.359 2.522 20 30 CFEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000342986835 393876984 /nfs/dbraw/zinc/87/69/84/393876984.db2.gz CUIFJDFIGLIADB-VIFPVBQESA-N -1 1 288.438 2.783 20 30 CFEDMM CCCCOc1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1 ZINC000416938274 393945715 /nfs/dbraw/zinc/94/57/15/393945715.db2.gz KVDNLCVMVSWOKD-AWEZNQCLSA-N -1 1 296.392 2.909 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000416936736 393945890 /nfs/dbraw/zinc/94/58/90/393945890.db2.gz ILVIELJZIAYOKH-CQSZACIVSA-N -1 1 296.392 2.765 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC000416965031 393947174 /nfs/dbraw/zinc/94/71/74/393947174.db2.gz UGCCRDMIPFZETD-CYBMUJFWSA-N -1 1 282.365 2.518 20 30 CFEDMM CCN(C(=O)c1ncccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000153649292 394288113 /nfs/dbraw/zinc/28/81/13/394288113.db2.gz NRYBHUDFOHXYHM-GFCCVEGCSA-N -1 1 295.342 2.882 20 30 CFEDMM C#C[C@@H](C)N(C)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000491375467 397580677 /nfs/dbraw/zinc/58/06/77/397580677.db2.gz WICJAMIBMUUUNR-SECBINFHSA-N -1 1 281.739 2.538 20 30 CFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCCC2CCCC2)o1 ZINC000344524380 162060206 /nfs/dbraw/zinc/06/02/06/162060206.db2.gz YPNCXAIDUJBAIL-UHFFFAOYSA-N -1 1 296.392 2.790 20 30 CFEDMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1C ZINC000344823424 162128133 /nfs/dbraw/zinc/12/81/33/162128133.db2.gz LMWKXZVYWXONTN-IJLUTSLNSA-N -1 1 296.392 2.502 20 30 CFEDMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000007052939 170264431 /nfs/dbraw/zinc/26/44/31/170264431.db2.gz ATMVABYXZKIHRQ-UHFFFAOYSA-N -1 1 272.329 2.668 20 30 CFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC000007405766 170283370 /nfs/dbraw/zinc/28/33/70/170283370.db2.gz HQTBAMIHSUIWOY-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM Cc1cnc(C(=O)NC[C@H]2CCCSC2)c([O-])c1 ZINC000330220403 228070032 /nfs/dbraw/zinc/07/00/32/228070032.db2.gz QEZMJGJERCNXCP-SNVBAGLBSA-N -1 1 266.366 2.543 20 30 CFEDMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1 ZINC000088485312 260232826 /nfs/dbraw/zinc/23/28/26/260232826.db2.gz ZWVVDHXCLBAZIW-FZMZJTMJSA-N -1 1 296.392 2.908 20 30 CFEDMM N#CC1(CSc2nc(C(F)(F)F)cc(=O)[n-]2)CC1 ZINC000331957341 262624575 /nfs/dbraw/zinc/62/45/75/262624575.db2.gz KZEHQCUAQUSXHJ-UHFFFAOYSA-N -1 1 275.255 2.597 20 30 CFEDMM CCc1ccc(C(=O)Nc2cc(C)n(CCC#N)n2)c([O-])c1 ZINC000276419154 263036776 /nfs/dbraw/zinc/03/67/76/263036776.db2.gz WSJJXJMMCINIRQ-UHFFFAOYSA-N -1 1 298.346 2.626 20 30 CFEDMM N#CCCN(CCC#N)Cc1cccc([O-])c1Cl ZINC000293711189 263147652 /nfs/dbraw/zinc/14/76/52/263147652.db2.gz UTOVPCUJVAZTIT-UHFFFAOYSA-N -1 1 263.728 2.675 20 30 CFEDMM CCCOc1cccc([N-]S(=O)(=O)[C@@H](C#N)CC)c1 ZINC000416940420 263769877 /nfs/dbraw/zinc/76/98/77/263769877.db2.gz IVKVAWBSYXIEEL-CYBMUJFWSA-N -1 1 282.365 2.519 20 30 CFEDMM Cc1noc(C)c1[C@@H](C)CNC(=O)c1ncc(C)cc1[O-] ZINC000330674827 264014562 /nfs/dbraw/zinc/01/45/62/264014562.db2.gz ZYOJZKDFZGVCIC-VIFPVBQESA-N -1 1 289.335 2.809 20 30 CFEDMM Cc1cnc(C(=O)N[C@H](C#N)C2CCCCC2)c([O-])c1 ZINC000330884300 264062889 /nfs/dbraw/zinc/06/28/89/264062889.db2.gz PMFKBIMUTZUTEF-GFCCVEGCSA-N -1 1 273.336 2.873 20 30 CFEDMM Cc1cnc([C@H](C)NC(=O)c2ncc(C)cc2[O-])s1 ZINC000331166096 264144922 /nfs/dbraw/zinc/14/49/22/264144922.db2.gz DVMXXIOUFQMCHB-VIFPVBQESA-N -1 1 277.349 2.926 20 30 CFEDMM COc1cc(C(=O)N[C@]2(C)CCCOC2)cc(Cl)c1[O-] ZINC000331293589 264197734 /nfs/dbraw/zinc/19/77/34/264197734.db2.gz XUSMCIKUZMRZRY-CQSZACIVSA-N -1 1 299.754 2.928 20 30 CFEDMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1C ZINC000248985058 281043422 /nfs/dbraw/zinc/04/34/22/281043422.db2.gz WEXXZOUZVPRQRN-UHIISALHSA-N -1 1 272.348 2.818 20 30 CFEDMM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188828925 281263163 /nfs/dbraw/zinc/26/31/63/281263163.db2.gz FRRGUSDVELVKIA-GWCFXTLKSA-N -1 1 258.321 2.524 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)cc1[O-] ZINC000565820422 290327440 /nfs/dbraw/zinc/32/74/40/290327440.db2.gz CDFWJZJCWBYHNO-GJZGRUSLSA-N -1 1 284.359 2.820 20 30 CFEDMM N#Cc1ccc(C(=O)NC2(c3ccccc3F)CC2)cc1[O-] ZINC000188448923 294901791 /nfs/dbraw/zinc/90/17/91/294901791.db2.gz MAXYGMDVYSMRPD-UHFFFAOYSA-N -1 1 296.301 2.822 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1ccccn1 ZINC000194790641 327883885 /nfs/dbraw/zinc/88/38/85/327883885.db2.gz LADWTWGYKCUNQD-UHFFFAOYSA-N -1 1 256.371 2.794 20 30 CFEDMM CCOc1cc(C(=O)N(C)C[C@@H](C)C#N)cc(Cl)c1[O-] ZINC000273977636 328207504 /nfs/dbraw/zinc/20/75/04/328207504.db2.gz TVXVNKVIARNBHY-VIFPVBQESA-N -1 1 296.754 2.676 20 30 CFEDMM N#Cc1ccc(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1[O-] ZINC000575842975 322731415 /nfs/dbraw/zinc/73/14/15/322731415.db2.gz GGJFENIAABTNMJ-GOEBONIOSA-N -1 1 282.343 2.524 20 30 CFEDMM Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188236855 324011119 /nfs/dbraw/zinc/01/11/19/324011119.db2.gz PWEDBDIPDVCGEX-HNNXBMFYSA-N -1 1 295.342 2.580 20 30 CFEDMM CC(C)(C#N)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000558415439 327092506 /nfs/dbraw/zinc/09/25/06/327092506.db2.gz HGDHYXJIHITEOK-UHFFFAOYSA-N -1 1 284.319 2.661 20 30 CFEDMM CC(C)(CCC#N)CNC(=O)c1cc(F)ccc1[O-] ZINC000436740488 330684131 /nfs/dbraw/zinc/68/41/31/330684131.db2.gz QZRYLKRFAGPYTG-UHFFFAOYSA-N -1 1 264.300 2.591 20 30 CFEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451391216 331027051 /nfs/dbraw/zinc/02/70/51/331027051.db2.gz HCGYCIWFTBKFIB-NSHDSACASA-N -1 1 296.323 2.542 20 30 CFEDMM C#CC[N-]C(=O)C(F)(F)c1ccc(Cl)c(Cl)c1 ZINC000490933638 332130498 /nfs/dbraw/zinc/13/04/98/332130498.db2.gz FMAJHURWANIEIZ-UHFFFAOYSA-N -1 1 278.085 2.835 20 30 CFEDMM N#CCC1(CNC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000403982702 332978776 /nfs/dbraw/zinc/97/87/76/332978776.db2.gz FIVNOXKWNQTXEK-UHFFFAOYSA-N -1 1 280.327 2.969 20 30 CFEDMM N#CC1(NC(=O)c2ccc(Cl)cc2[O-])CCSCC1 ZINC000152660233 334180682 /nfs/dbraw/zinc/18/06/82/334180682.db2.gz RQTBFXABCPJNBC-UHFFFAOYSA-N -1 1 296.779 2.565 20 30 CFEDMM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000152738562 334511314 /nfs/dbraw/zinc/51/13/14/334511314.db2.gz IXINXLHABSHRFD-YFKPBYRVSA-N -1 1 286.205 2.908 20 30 CFEDMM N#CC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCCC1 ZINC000567591435 334738067 /nfs/dbraw/zinc/73/80/67/334738067.db2.gz SQYHAPYCTQWPGA-UHFFFAOYSA-N -1 1 296.330 2.805 20 30 CFEDMM C[C@H]1C[C@@]1(C#N)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000351091625 335566590 /nfs/dbraw/zinc/56/65/90/335566590.db2.gz FYXDGZBHAPOSAD-CPFSXVBKSA-N -1 1 275.695 2.897 20 30 CFEDMM COc1ccc(-c2ccc([O-])c(F)c2F)nc1CC#N ZINC001243339151 782144447 /nfs/dbraw/zinc/14/44/47/782144447.db2.gz LRJYXMZLMCHOHM-UHFFFAOYSA-N -1 1 276.242 2.807 20 30 CFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000235915771 524690890 /nfs/dbraw/zinc/69/08/90/524690890.db2.gz IZOODMQZSXGVSL-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000235777971 525270686 /nfs/dbraw/zinc/27/06/86/525270686.db2.gz NZPJEMVYMHKKFI-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(C)(C)C ZINC000442972118 535799888 /nfs/dbraw/zinc/79/98/88/535799888.db2.gz WYFBXZHCGPABDH-CYBMUJFWSA-N -1 1 260.337 2.818 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CC(C)(C)Cc3occc32)n1 ZINC000731485966 574122018 /nfs/dbraw/zinc/12/20/18/574122018.db2.gz KNCSGJTUSZFPKO-UHFFFAOYSA-N -1 1 286.335 2.872 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(C)o1 ZINC000756898820 574133360 /nfs/dbraw/zinc/13/33/60/574133360.db2.gz DEWDFAPXNSYLQQ-UHFFFAOYSA-N -1 1 274.276 2.741 20 30 CFEDMM CN(Cc1ccc(C#N)cc1F)[C@H](C(=O)[O-])c1ccccc1 ZINC000737451586 574142091 /nfs/dbraw/zinc/14/20/91/574142091.db2.gz QOHTWPSQTZDPNG-INIZCTEOSA-N -1 1 298.317 2.955 20 30 CFEDMM CN(Cc1ccccc1C#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737491810 574144959 /nfs/dbraw/zinc/14/49/59/574144959.db2.gz KAZJGIQJIMOWRB-MRXNPFEDSA-N -1 1 280.327 2.816 20 30 CFEDMM C=C(Br)CN(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000737495127 574145085 /nfs/dbraw/zinc/14/50/85/574145085.db2.gz GOSAYJAKOMCISY-GFCCVEGCSA-N -1 1 298.180 2.523 20 30 CFEDMM CCCCCCC=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000755641221 574174356 /nfs/dbraw/zinc/17/43/56/574174356.db2.gz VFCGCTMMPAJION-UHFFFAOYSA-N -1 1 293.392 2.681 20 30 CFEDMM N#Cc1ccccc1CN(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000740324081 574247069 /nfs/dbraw/zinc/24/70/69/574247069.db2.gz TYJVMSIPXBWVQT-UHFFFAOYSA-N -1 1 299.374 2.665 20 30 CFEDMM Cn1nnc2cc(/C=C/C(=O)c3ccc([O-])cc3)ccc21 ZINC000740667728 574260437 /nfs/dbraw/zinc/26/04/37/574260437.db2.gz YZIPOSQWNQZDTE-YCRREMRBSA-N -1 1 279.299 2.570 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cc3cc(F)ccc3o2)n1 ZINC000741758829 574300884 /nfs/dbraw/zinc/30/08/84/574300884.db2.gz CYIYFTMICUDMLW-UHFFFAOYSA-N -1 1 286.266 2.822 20 30 CFEDMM O=C([O-])c1ccc(C=NN=c2ccc3ccccc3[nH]2)[nH]1 ZINC000749807065 574310132 /nfs/dbraw/zinc/31/01/32/574310132.db2.gz JMDDUEDBQDQXKI-UHFFFAOYSA-N -1 1 280.287 2.707 20 30 CFEDMM C=CCCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736102800 574350449 /nfs/dbraw/zinc/35/04/49/574350449.db2.gz ZZLOAUSGTMBNOZ-UHFFFAOYSA-N -1 1 283.755 2.898 20 30 CFEDMM C=CCCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736102800 574350452 /nfs/dbraw/zinc/35/04/52/574350452.db2.gz ZZLOAUSGTMBNOZ-UHFFFAOYSA-N -1 1 283.755 2.898 20 30 CFEDMM CC(C=CC(=O)c1c([O-])cc(C)oc1=O)=Cc1ccccc1 ZINC000750895074 574360085 /nfs/dbraw/zinc/36/00/85/574360085.db2.gz DNZLXYDSFMBATJ-GPYAOOHASA-N -1 1 296.322 2.861 20 30 CFEDMM CC(C=CC(=O)c1c([O-])cc(C)oc1=O)=Cc1ccccc1 ZINC000750895076 574360250 /nfs/dbraw/zinc/36/02/50/574360250.db2.gz DNZLXYDSFMBATJ-XXRGDTQASA-N -1 1 296.322 2.861 20 30 CFEDMM Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C1=COCC1 ZINC000744016086 574375840 /nfs/dbraw/zinc/37/58/40/574375840.db2.gz IVBHNMMZIDSYIP-ZDUSSCGKSA-N -1 1 294.310 2.672 20 30 CFEDMM N#Cc1cc(F)ccc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000071263926 599961879 /nfs/dbraw/zinc/96/18/79/599961879.db2.gz LXOCPMQJTIDIQO-AWEZNQCLSA-N -1 1 276.311 2.527 20 30 CFEDMM Cc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])c(O)c1 ZINC000832911009 601826049 /nfs/dbraw/zinc/82/60/49/601826049.db2.gz HVYSUCXSAAHUKN-HYXAFXHYSA-N -1 1 272.256 2.888 20 30 CFEDMM CC(C)CN(CCC#N)Cc1ccccc1C(=O)[O-] ZINC000043416889 604516885 /nfs/dbraw/zinc/51/68/85/604516885.db2.gz IUKNATNJWTXMJV-UHFFFAOYSA-N -1 1 260.337 2.756 20 30 CFEDMM C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccccc1F ZINC000833406995 605039011 /nfs/dbraw/zinc/03/90/11/605039011.db2.gz PYWUCCMBINEHRR-JTQLQIEISA-N -1 1 275.283 2.719 20 30 CFEDMM O=C([O-])N[C@H]1CC(=NNc2ccccn2)c2ccccc21 ZINC000834158749 605741958 /nfs/dbraw/zinc/74/19/58/605741958.db2.gz URVFTRABBUTQEE-LBPRGKRZSA-N -1 1 282.303 2.610 20 30 CFEDMM C=CCCC[C@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000823894118 608332639 /nfs/dbraw/zinc/33/26/39/608332639.db2.gz HYRMFBHRNGDIMM-VIFPVBQESA-N -1 1 292.364 2.830 20 30 CFEDMM CC1CC(C#N)(C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890760229 617838578 /nfs/dbraw/zinc/83/85/78/617838578.db2.gz LCYWXHHSFKXDNY-UHFFFAOYSA-N -1 1 278.739 2.602 20 30 CFEDMM Cc1ncsc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000255386487 617707800 /nfs/dbraw/zinc/70/78/00/617707800.db2.gz RCGDGLFQAHADAD-PLNGDYQASA-N -1 1 261.302 2.759 20 30 CFEDMM C=CCCO[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758100 617836058 /nfs/dbraw/zinc/83/60/58/617836058.db2.gz RJAQUTQTQNLJBW-SNVBAGLBSA-N -1 1 283.755 2.643 20 30 CFEDMM Cc1c(C#N)cccc1N=Cc1ccc(O)c([O-])c1O ZINC000255081069 617953806 /nfs/dbraw/zinc/95/38/06/617953806.db2.gz GHYBKXRJMNDNDC-UHFFFAOYSA-N -1 1 268.272 2.734 20 30 CFEDMM Cc1ccc(C#N)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255105945 617961208 /nfs/dbraw/zinc/96/12/08/617961208.db2.gz NDCQUIMOODTZDT-UHFFFAOYSA-N -1 1 268.272 2.734 20 30 CFEDMM CCN(CCC#N)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000050148638 618084748 /nfs/dbraw/zinc/08/47/48/618084748.db2.gz JGBNPXZEAVBJOU-UHFFFAOYSA-N -1 1 280.755 2.984 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2c(C)noc2C)c1 ZINC000255715917 618269044 /nfs/dbraw/zinc/26/90/44/618269044.db2.gz CWVHYJHVJHHFDD-ALCCZGGFSA-N -1 1 273.288 2.902 20 30 CFEDMM CCCOCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370294 620797046 /nfs/dbraw/zinc/79/70/46/620797046.db2.gz VYYAXOHHKGLWEI-UHFFFAOYSA-N -1 1 273.332 2.984 20 30 CFEDMM C#CCC1(C(=O)[N-]OCc2cccc(C)n2)CCCCC1 ZINC000898932489 620507462 /nfs/dbraw/zinc/50/74/62/620507462.db2.gz NVPZYISSWCRWDV-UHFFFAOYSA-N -1 1 286.375 2.912 20 30 CFEDMM C=C1CCC(C(=O)[N-]Oc2cccc(C#N)c2)CC1 ZINC000899167048 620527807 /nfs/dbraw/zinc/52/78/07/620527807.db2.gz UMFIYIXTZYMXQJ-UHFFFAOYSA-N -1 1 256.305 2.715 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccnn1C1CCC1 ZINC000899345573 620547319 /nfs/dbraw/zinc/54/73/19/620547319.db2.gz PBOWXESFKYLOGD-OVCLIPMQSA-N -1 1 282.299 2.930 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cnn(C2CCC2)c1 ZINC000899345697 620547382 /nfs/dbraw/zinc/54/73/82/620547382.db2.gz RSHDRYWVHANNPO-UUASQNMZSA-N -1 1 282.299 2.930 20 30 CFEDMM C=CCOC[C@H](NCc1csc2ccccc12)C(=O)[O-] ZINC000901808883 620921399 /nfs/dbraw/zinc/92/13/99/620921399.db2.gz MAUNRJAVTVLWFB-ZDUSSCGKSA-N -1 1 291.372 2.647 20 30 CFEDMM C=CCC(F)(F)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177970 621543693 /nfs/dbraw/zinc/54/36/93/621543693.db2.gz VCBRZUKYQKPNFW-UHFFFAOYSA-N -1 1 259.227 2.755 20 30 CFEDMM CC(C)(C)OCC(=O)N([O-])Cc1ccccc1Cl ZINC000904190864 621546504 /nfs/dbraw/zinc/54/65/04/621546504.db2.gz SCSHFBHIERGMOX-UHFFFAOYSA-N -1 1 271.744 2.873 20 30 CFEDMM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000908653828 622255068 /nfs/dbraw/zinc/25/50/68/622255068.db2.gz WQROYPITUZJQLK-CYBMUJFWSA-N -1 1 291.322 2.671 20 30 CFEDMM C#CCC(C)(C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985944 622379652 /nfs/dbraw/zinc/37/96/52/622379652.db2.gz URDJBAAOMZVJRP-UHFFFAOYSA-N -1 1 253.248 2.658 20 30 CFEDMM CC[C@](C)(C#N)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910988751 622496089 /nfs/dbraw/zinc/49/60/89/622496089.db2.gz SCDWOLGKRKMSPL-GFCCVEGCSA-N -1 1 254.236 2.549 20 30 CFEDMM C[Si](C)(C)C#CCCNC(=O)c1ccc([O-])cc1F ZINC000912329868 622681428 /nfs/dbraw/zinc/68/14/28/622681428.db2.gz YUSUNDULDYIMIM-UHFFFAOYSA-N -1 1 279.387 2.532 20 30 CFEDMM C#CC[C@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000912986049 622813470 /nfs/dbraw/zinc/81/34/70/622813470.db2.gz QURGKKULCHZKGW-NSHDSACASA-N -1 1 298.317 2.565 20 30 CFEDMM O=C(/C=C/c1cnn2ccccc12)c1ccc([O-])cc1 ZINC000171735681 623240788 /nfs/dbraw/zinc/24/07/88/623240788.db2.gz VPXMNRRTQJIXFH-RMKNXTFCSA-N -1 1 264.284 2.936 20 30 CFEDMM CCCCNN=Cc1cccc(Br)c1[O-] ZINC000915969984 624197223 /nfs/dbraw/zinc/19/72/23/624197223.db2.gz RFSYREPZXWDRHQ-UHFFFAOYSA-N -1 1 271.158 2.878 20 30 CFEDMM C=CCOc1ccc(C=NNc2nc(C)cc(=O)[n-]2)cc1 ZINC000916241567 624231023 /nfs/dbraw/zinc/23/10/23/624231023.db2.gz LHFJTTKXOGGANW-UHFFFAOYSA-N -1 1 284.319 2.501 20 30 CFEDMM O=C(/C=C/c1cnn(-c2ccccc2)n1)c1ccc([O-])cc1 ZINC000916545587 624253007 /nfs/dbraw/zinc/25/30/07/624253007.db2.gz PGYQMEIODRHBEP-DHZHZOJOSA-N -1 1 291.310 2.869 20 30 CFEDMM C#CCOc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000154874855 624516284 /nfs/dbraw/zinc/51/62/84/624516284.db2.gz OGMXZUACSMVKRO-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM O=[N+]([O-])c1ccc(N=NCc2ccc([O-])c(Cl)c2)nc1 ZINC000921258222 624831001 /nfs/dbraw/zinc/83/10/01/624831001.db2.gz PKYVGZVTKNTDDS-UHFFFAOYSA-N -1 1 292.682 2.795 20 30 CFEDMM CC1(C)OCC[C@@H]1NN=Cc1ccc([O-])c(Cl)c1 ZINC000835014056 625959803 /nfs/dbraw/zinc/95/98/03/625959803.db2.gz NAQWPCWYEVBODF-LBPRGKRZSA-N -1 1 268.744 2.537 20 30 CFEDMM CC(=NN[C@@H]1CCOC1(C)C)c1ccc([O-])c(Cl)c1 ZINC000835017749 625963036 /nfs/dbraw/zinc/96/30/36/625963036.db2.gz YCVDJAWDRAVZHF-CYBMUJFWSA-N -1 1 282.771 2.927 20 30 CFEDMM Cc1nn(C)cc1/C=C/C(=O)c1cc(C)ccc1[O-] ZINC000121331115 626492659 /nfs/dbraw/zinc/49/26/59/626492659.db2.gz JMXLUQSZJIKVBB-FNORWQNLSA-N -1 1 256.305 2.639 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1C=NNCCc1ccncc1 ZINC000789096587 626539209 /nfs/dbraw/zinc/53/92/09/626539209.db2.gz BUXUPVNSCOBNEF-UHFFFAOYSA-N -1 1 293.729 2.746 20 30 CFEDMM Cc1cccc2ncc(/C=C/C(=O)c3cc(O)ccc3[O-])n21 ZINC000757468390 626552929 /nfs/dbraw/zinc/55/29/29/626552929.db2.gz UEHFHFWEVKWVPY-FNORWQNLSA-N -1 1 294.310 2.950 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(F)cc3cccnc23)n1 ZINC000760217970 626720960 /nfs/dbraw/zinc/72/09/60/626720960.db2.gz LHCGIVOTMHXIPR-UHFFFAOYSA-N -1 1 297.293 2.624 20 30 CFEDMM N#CC(=C([O-])C=Cc1cccc(F)c1)c1ccncn1 ZINC000760356542 626739007 /nfs/dbraw/zinc/73/90/07/626739007.db2.gz IFMNBTIQFNBPBV-DSYXLKISSA-N -1 1 267.263 2.505 20 30 CFEDMM N#CC(=C([O-])C=Cc1ccc2[nH]ccc2c1)c1ccncn1 ZINC000760358470 626739848 /nfs/dbraw/zinc/73/98/48/626739848.db2.gz PHQQOVDKZNHLGX-XBPVQUQDSA-N -1 1 288.310 2.848 20 30 CFEDMM C=C(Cl)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000763250011 626973360 /nfs/dbraw/zinc/97/33/60/626973360.db2.gz XLFQOJKVGLIKGI-UHFFFAOYSA-N -1 1 276.119 2.537 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2ccc(F)c(F)c2)nc1 ZINC000763368068 626983204 /nfs/dbraw/zinc/98/32/04/626983204.db2.gz JLTJUXHXRPPEAB-UHFFFAOYSA-N -1 1 277.230 2.504 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc2c(s1)CCC2 ZINC000764641238 627079444 /nfs/dbraw/zinc/07/94/44/627079444.db2.gz QRBINZAPGHDRJK-UHFFFAOYSA-N -1 1 288.376 2.877 20 30 CFEDMM CC(C)[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765746459 627155973 /nfs/dbraw/zinc/15/59/73/627155973.db2.gz OXTZCBYNGCRBIY-ZDUSSCGKSA-N -1 1 284.281 2.972 20 30 CFEDMM [O-]c1c(F)cc(Cl)cc1CN=Nc1ncc(F)cn1 ZINC000768368034 627337337 /nfs/dbraw/zinc/33/73/37/627337337.db2.gz VZPRSBVPLUVXPF-UHFFFAOYSA-N -1 1 284.653 2.560 20 30 CFEDMM Cc1ccc(N=NC(C)c2ccc([O-])c(Cl)c2)nn1 ZINC000768776764 627371998 /nfs/dbraw/zinc/37/19/98/627371998.db2.gz KCGVMCVVGRYRSO-UHFFFAOYSA-N -1 1 276.727 2.980 20 30 CFEDMM O=c1ccc2c([nH]1)CCC(=Cc1ccc([O-])c(F)c1)C2=O ZINC000769616396 627461790 /nfs/dbraw/zinc/46/17/90/627461790.db2.gz XPHSBTDSKRQMHS-YFHOEESVSA-N -1 1 285.274 2.844 20 30 CFEDMM Cc1ccc(N=NC(C)c2ccc(C(=O)[O-])o2)nc1 ZINC000773053921 627775676 /nfs/dbraw/zinc/77/56/76/627775676.db2.gz FZMHZHIIKKMUSY-UHFFFAOYSA-N -1 1 259.265 2.517 20 30 CFEDMM CC(=NNc1ccc(C)cn1)c1ccc(C(=O)[O-])o1 ZINC000773053921 627775677 /nfs/dbraw/zinc/77/56/77/627775677.db2.gz FZMHZHIIKKMUSY-UHFFFAOYSA-N -1 1 259.265 2.517 20 30 CFEDMM COC(=O)c1coc(/C=C\C(=O)c2cc(C)ccc2[O-])c1 ZINC000774137527 627892940 /nfs/dbraw/zinc/89/29/40/627892940.db2.gz XIBNXZHXZUQSNE-XQRVVYSFSA-N -1 1 286.283 2.976 20 30 CFEDMM CNC(=S)NN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774575950 627938488 /nfs/dbraw/zinc/93/84/88/627938488.db2.gz SMTWROBYDNBSAM-UHFFFAOYSA-N -1 1 293.779 2.627 20 30 CFEDMM CCCCC[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000776324677 628131553 /nfs/dbraw/zinc/13/15/53/628131553.db2.gz AMASZDQSZOBNJK-LLVKDONJSA-N -1 1 260.337 2.962 20 30 CFEDMM CC(=NNc1cc[nH+]cc1)c1cc(Cl)ccc1O ZINC000779808537 628408759 /nfs/dbraw/zinc/40/87/59/628408759.db2.gz LLKDKSPBOPTHCP-UHFFFAOYSA-N -1 1 261.712 2.699 20 30 CFEDMM CC(=NN[C@H]1CCCOC1)c1ccc([O-])c(Cl)c1 ZINC000780260586 628447400 /nfs/dbraw/zinc/44/74/00/628447400.db2.gz NFVVLFROMMMJGZ-NSHDSACASA-N -1 1 268.744 2.538 20 30 CFEDMM O=C([O-])[C@@H]1CCC(N=Nc2ccnc(F)c2)c2ccccc21 ZINC000789037628 629119292 /nfs/dbraw/zinc/11/92/92/629119292.db2.gz PBKGQEFEAYNCED-CYBMUJFWSA-N -1 1 299.305 2.999 20 30 CFEDMM CC(=NNCCc1ccncc1)c1cc(F)cc(F)c1[O-] ZINC000789093152 629125332 /nfs/dbraw/zinc/12/53/32/629125332.db2.gz GYFJNJMZAQLYQM-UHFFFAOYSA-N -1 1 291.301 2.622 20 30 CFEDMM Cc1ccc2nc(/C=C3\Oc4cc([O-])ccc4C3=O)cn2c1 ZINC000789127381 629128866 /nfs/dbraw/zinc/12/88/66/629128866.db2.gz JJMVRFVZPQZQKB-UUASQNMZSA-N -1 1 292.294 2.965 20 30 CFEDMM Cc1cc(NN=Cc2c([O-])ccc(Cl)c2F)ncn1 ZINC000790164406 629215340 /nfs/dbraw/zinc/21/53/40/629215340.db2.gz PIJDLJGPPKWBNG-UHFFFAOYSA-N -1 1 280.690 2.729 20 30 CFEDMM Cc1cccnc1NN=Cc1ccc(OCCC(=O)[O-])cc1 ZINC000790185893 629217316 /nfs/dbraw/zinc/21/73/16/629217316.db2.gz KSHROJJWUPHWCW-UHFFFAOYSA-N -1 1 299.330 2.690 20 30 CFEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1cn2cccnc2n1 ZINC000791429184 629313789 /nfs/dbraw/zinc/31/37/89/629313789.db2.gz YWJIGWDMXNOMOM-HWKANZROSA-N -1 1 299.717 2.984 20 30 CFEDMM N#CC(=C([O-])C=CC1CC1)c1cnc2ccccc2n1 ZINC000792110012 629398305 /nfs/dbraw/zinc/39/83/05/629398305.db2.gz XERAYJLPBHXXSX-ABZNLYFFSA-N -1 1 263.300 2.772 20 30 CFEDMM CC(C)n1nccc1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000794945113 629708084 /nfs/dbraw/zinc/70/80/84/629708084.db2.gz KBCVJPFDRFWTCI-WQLSENKSSA-N -1 1 268.316 2.992 20 30 CFEDMM C=CCC[C@@H](OC(=O)c1ccc(C(=O)OC)[n-]1)C1CC1 ZINC000796998997 630001378 /nfs/dbraw/zinc/00/13/78/630001378.db2.gz BDNHWZLHFHXOOG-CYBMUJFWSA-N -1 1 277.320 2.703 20 30 CFEDMM CC(C)(C#N)CCOC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000801203912 630433719 /nfs/dbraw/zinc/43/37/19/630433719.db2.gz YQVGZWWWHLBRDW-UHFFFAOYSA-N -1 1 299.330 2.675 20 30 CFEDMM C=C(C)COC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801367852 630442949 /nfs/dbraw/zinc/44/29/49/630442949.db2.gz YJPFMFIQDIMBAL-UHFFFAOYSA-N -1 1 272.304 2.619 20 30 CFEDMM CC(C)c1ccc(-n2cc([O-])c(C(=O)O[C@H](C)C#N)n2)cc1 ZINC000801410822 630445462 /nfs/dbraw/zinc/44/54/62/630445462.db2.gz MEILQKVBLKEGAZ-LLVKDONJSA-N -1 1 299.330 2.770 20 30 CFEDMM CC[C@@H](C#N)OC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801418305 630446173 /nfs/dbraw/zinc/44/61/73/630446173.db2.gz KJGOFNNAODIMFP-LBPRGKRZSA-N -1 1 299.330 2.654 20 30 CFEDMM CCc1ccccc1-n1cc([O-])c(C(=O)O[C@H](C#N)CC)n1 ZINC000801418726 630446190 /nfs/dbraw/zinc/44/61/90/630446190.db2.gz UNTURSPBSFAPQH-LBPRGKRZSA-N -1 1 299.330 2.599 20 30 CFEDMM CCCC[C@H](C)C(C)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000807972632 630927868 /nfs/dbraw/zinc/92/78/68/630927868.db2.gz GNBQEVUXCZSJKM-VIFPVBQESA-N -1 1 290.371 2.683 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C(CC(C)C)c2ccncc2)n1 ZINC000842523195 631651660 /nfs/dbraw/zinc/65/16/60/631651660.db2.gz XPDIDLTZVNOISN-UHFFFAOYSA-N -1 1 285.351 2.748 20 30 CFEDMM C#C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC000812751828 631767311 /nfs/dbraw/zinc/76/73/11/631767311.db2.gz LBZVLUGJTCQCDA-CYBMUJFWSA-N -1 1 287.265 2.775 20 30 CFEDMM C#CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000844046740 632102307 /nfs/dbraw/zinc/10/23/07/632102307.db2.gz GLISGGRNSSJZKH-UHFFFAOYSA-N -1 1 297.276 2.896 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC2Cc3[nH]c4ccccc4c3C2)n1 ZINC000814681377 632107045 /nfs/dbraw/zinc/10/70/45/632107045.db2.gz ISYGCSRDBSBHIR-UHFFFAOYSA-N -1 1 293.330 2.539 20 30 CFEDMM Cc1nc(C#N)c(N=NCc2cccc([O-])c2Cl)o1 ZINC000814814040 632131115 /nfs/dbraw/zinc/13/11/15/632131115.db2.gz UEZRRWMFTUCJAH-UHFFFAOYSA-N -1 1 276.683 2.660 20 30 CFEDMM COc1cc(C)nc(N=NCc2cccc([O-])c2Cl)n1 ZINC000814862754 632141485 /nfs/dbraw/zinc/14/14/85/632141485.db2.gz QPZAZCQMJDTJMT-UHFFFAOYSA-N -1 1 292.726 2.599 20 30 CFEDMM [O-]c1cccc(C=NO[C@H]2CCCCO2)c1Cl ZINC000814886958 632149363 /nfs/dbraw/zinc/14/93/63/632149363.db2.gz DDGANGPZQZSODO-NSHDSACASA-N -1 1 255.701 2.923 20 30 CFEDMM [O-]c1cccc(C=NNCCc2ccncc2)c1Cl ZINC000814924402 632167198 /nfs/dbraw/zinc/16/71/98/632167198.db2.gz LNVQACOIRAERLK-UHFFFAOYSA-N -1 1 275.739 2.607 20 30 CFEDMM O=C([O-])c1ccc(CN=Nc2ccc(F)c(F)c2F)[nH]1 ZINC000814946798 632177736 /nfs/dbraw/zinc/17/77/36/632177736.db2.gz YOTLGITYRPUNPS-UHFFFAOYSA-N -1 1 283.209 2.576 20 30 CFEDMM Cc1cccnc1NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844594850 632258727 /nfs/dbraw/zinc/25/87/27/632258727.db2.gz ZZPUMKUMMQCHKD-UHFFFAOYSA-N -1 1 293.330 2.515 20 30 CFEDMM CCC(N=Nc1cccc(C(=O)[O-])c1C)c1nccn1C ZINC000844623850 632267779 /nfs/dbraw/zinc/26/77/79/632267779.db2.gz NLWMOSZQQDQNJS-UHFFFAOYSA-N -1 1 286.335 2.653 20 30 CFEDMM C=C(C)CO[N-]C(=O)Cc1sccc1Br ZINC000846534040 632722484 /nfs/dbraw/zinc/72/24/84/632722484.db2.gz JNNJZTYFUNBKTD-UHFFFAOYSA-N -1 1 290.182 2.677 20 30 CFEDMM C=C[C@H](C)ONC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000846541780 632730857 /nfs/dbraw/zinc/73/08/57/632730857.db2.gz MUOLKPYBDKKWPQ-QMMMGPOBSA-N -1 1 285.727 2.680 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccnn1CC1CC1 ZINC000849244344 633589062 /nfs/dbraw/zinc/58/90/62/633589062.db2.gz ZAMJOTQOIFZVLO-CHHVJCJISA-N -1 1 282.299 2.615 20 30 CFEDMM Cn1ncc(C2CC2)c1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000849249298 633590519 /nfs/dbraw/zinc/59/05/19/633590519.db2.gz GZCGTJGTWHNFMX-WQLSENKSSA-N -1 1 280.327 2.826 20 30 CFEDMM O=C(C#CC1CC1)Nc1cc(F)c([O-])cc1Cl ZINC000885678886 635299638 /nfs/dbraw/zinc/29/96/38/635299638.db2.gz XHDFJAQRXZRFMJ-UHFFFAOYSA-N -1 1 253.660 2.537 20 30 CFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2conc2C)cc1 ZINC000860468462 636892763 /nfs/dbraw/zinc/89/27/63/636892763.db2.gz COOKZFPTJADFRW-CYBMUJFWSA-N -1 1 297.314 2.507 20 30 CFEDMM Cc1scc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1C ZINC000865214313 638225265 /nfs/dbraw/zinc/22/52/65/638225265.db2.gz QTUMQANMDDJQLN-WSNITJDQSA-N -1 1 290.340 2.593 20 30 CFEDMM CCCn1cc(/C=C/C(=O)c2c(C)cc(C)cc2[O-])nn1 ZINC000865223703 638227589 /nfs/dbraw/zinc/22/75/89/638227589.db2.gz KWYMPQUJXRNDBO-AATRIKPKSA-N -1 1 285.347 2.907 20 30 CFEDMM Cc1nn(C)c(C)c1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866323959 638796889 /nfs/dbraw/zinc/79/68/89/638796889.db2.gz CWIGDNXUNSTUAS-SECBINFHSA-N -1 1 270.336 2.787 20 30 CFEDMM O=C(CC(F)(F)C(F)(F)F)[N-]CC(F)(F)C(F)F ZINC000867756942 638895850 /nfs/dbraw/zinc/89/58/50/638895850.db2.gz RVDZWQZNESYJIN-UHFFFAOYSA-N -1 1 291.113 2.591 20 30 CFEDMM C[C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000868376679 638941352 /nfs/dbraw/zinc/94/13/52/638941352.db2.gz SVFQFDVOVNZIFY-VKHMYHEASA-N -1 1 273.123 2.641 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2CCCC3(CC3)C2)c1 ZINC000870689349 639772331 /nfs/dbraw/zinc/77/23/31/639772331.db2.gz ABOYIEUGOIBEDJ-CYBMUJFWSA-N -1 1 270.332 2.939 20 30 CFEDMM CC[C@H]1CCC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690247 639772767 /nfs/dbraw/zinc/77/27/67/639772767.db2.gz LEZQBCKTQAQHLZ-JSGCOSHPSA-N -1 1 258.321 2.795 20 30 CFEDMM C[C@H](C(=O)[N-]Oc1cccc(C#N)c1)C1CCCC1 ZINC000870691173 639773500 /nfs/dbraw/zinc/77/35/00/639773500.db2.gz GBCWRCREOMRRHG-NSHDSACASA-N -1 1 258.321 2.795 20 30 CFEDMM CC(C)(C)[C@@H]1C[C@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870692157 639774954 /nfs/dbraw/zinc/77/49/54/639774954.db2.gz ZHEJBXWOEHXSFJ-CHWSQXEVSA-N -1 1 258.321 2.650 20 30 CFEDMM N#CC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000123694377 641359891 /nfs/dbraw/zinc/35/98/91/641359891.db2.gz IHSILTYSBFJWOE-UHFFFAOYSA-N -1 1 295.726 2.689 20 30 CFEDMM C=CC[C@H](C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872894744 641958753 /nfs/dbraw/zinc/95/87/53/641958753.db2.gz COMPGUXFFJNLRF-VIFPVBQESA-N -1 1 268.744 2.809 20 30 CFEDMM C[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000874477614 642398513 /nfs/dbraw/zinc/39/85/13/642398513.db2.gz JZHPPASSFZJYQN-ZDUSSCGKSA-N -1 1 298.264 2.678 20 30 CFEDMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000874477613 642398546 /nfs/dbraw/zinc/39/85/46/642398546.db2.gz JZHPPASSFZJYQN-CYBMUJFWSA-N -1 1 298.264 2.678 20 30 CFEDMM C[C@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000874478106 642399001 /nfs/dbraw/zinc/39/90/01/642399001.db2.gz ONSPCDXFZIERCR-ZDUSSCGKSA-N -1 1 298.264 2.678 20 30 CFEDMM CCN(Cc1ccc(F)c(F)c1[O-])C[C@@H](C)C#N ZINC000876617441 642947175 /nfs/dbraw/zinc/94/71/75/642947175.db2.gz OIHXKQKEYXFIST-VIFPVBQESA-N -1 1 254.280 2.652 20 30 CFEDMM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccn2)o1 ZINC000128873451 644929492 /nfs/dbraw/zinc/92/94/92/644929492.db2.gz ZUILLEAQXUZNNO-GFCCVEGCSA-N -1 1 297.314 2.507 20 30 CFEDMM C#CC1(NC(=O)NCc2ccc([O-])c(Cl)c2)CCCC1 ZINC000883811829 645981544 /nfs/dbraw/zinc/98/15/44/645981544.db2.gz XNKLLFMHCVIBRB-UHFFFAOYSA-N -1 1 292.766 2.791 20 30 CFEDMM C=C(Cl)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000134853340 646392097 /nfs/dbraw/zinc/39/20/97/646392097.db2.gz RRZPDSNTOMPLIU-UHFFFAOYSA-N -1 1 284.139 2.510 20 30 CFEDMM N#Cc1ccc(C(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)cc1[O-] ZINC000885222490 646640577 /nfs/dbraw/zinc/64/05/77/646640577.db2.gz DSAMCIQHMDSOBN-HZPDHXFCSA-N -1 1 296.370 2.915 20 30 CFEDMM COc1c(O)cccc1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000011332968 647881640 /nfs/dbraw/zinc/88/16/40/647881640.db2.gz NUTKHYALHSMWEY-AUWJEWJLSA-N -1 1 284.267 2.723 20 30 CFEDMM CC[C@@H](Nc1cn(C)nc1OC)c1cccc(C#N)c1[O-] ZINC000926260691 648450553 /nfs/dbraw/zinc/45/05/53/648450553.db2.gz VHUMVMIMIYKZKP-GFCCVEGCSA-N -1 1 286.335 2.569 20 30 CFEDMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cc(O)ccc1[O-] ZINC000036432198 649642707 /nfs/dbraw/zinc/64/27/07/649642707.db2.gz CSWMHNUORHHJQY-XVNBXDOJSA-N -1 1 285.255 2.902 20 30 CFEDMM N#Cc1c[nH]c2nccc(-c3cccc([O-])c3F)c12 ZINC001243547855 782271576 /nfs/dbraw/zinc/27/15/76/782271576.db2.gz YRJICJNHQHDFBJ-UHFFFAOYSA-N -1 1 253.236 2.898 20 30 CFEDMM COc1cccc(Nc2cc(=O)[n-]c(SC)n2)c1C#N ZINC001210121289 770211974 /nfs/dbraw/zinc/21/19/74/770211974.db2.gz CGTYUUALYVEWNS-UHFFFAOYSA-N -1 1 288.332 2.528 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cnc2ccccn12 ZINC000588535191 770949467 /nfs/dbraw/zinc/94/94/67/770949467.db2.gz PNTDTRYOCAYRPV-XYOKQWHBSA-N -1 1 276.295 2.862 20 30 CFEDMM C[C@H](OCCCC[P@](=O)([O-])O)c1ccccc1C#N ZINC001225019550 775338888 /nfs/dbraw/zinc/33/88/88/775338888.db2.gz YIDHWQVHGMLBCG-NSHDSACASA-N -1 1 283.264 2.594 20 30 CFEDMM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2cc(=O)[n-]c(=S)[nH]2)O1 ZINC001225766473 775586454 /nfs/dbraw/zinc/58/64/54/775586454.db2.gz UDEQJQZHFPFCOY-OTYXRUKQSA-N -1 1 296.392 2.752 20 30 CFEDMM C=C[C@@]1(C)CC[C@@H](Oc2cc(=O)[n-]c(=S)[nH]2)C(C)(C)O1 ZINC001225765975 775586851 /nfs/dbraw/zinc/58/68/51/775586851.db2.gz PEKPPARTVDDCEE-OTYXRUKQSA-N -1 1 296.392 2.752 20 30 CFEDMM O=C(c1ccc([O-])cc1)c1ccc(O[C@H]2C=CC(=O)C2)cc1 ZINC001225808172 775599953 /nfs/dbraw/zinc/59/99/53/775599953.db2.gz LXLICYLSGAZTBY-KRWDZBQOSA-N -1 1 294.306 2.900 20 30 CFEDMM CCC[C@H](Oc1cccc(/C=N/[O-])c1)C(=O)OCC ZINC001226113958 775703473 /nfs/dbraw/zinc/70/34/73/775703473.db2.gz CCDNIVXORYMFNB-LERPTODRSA-N -1 1 265.309 2.605 20 30 CFEDMM C=CCOCC(COCC=C)Oc1cccc(/C=N/[O-])c1 ZINC001226114969 775703586 /nfs/dbraw/zinc/70/35/86/775703586.db2.gz UKXGKQCPQMIBCX-GZTJUZNOSA-N -1 1 291.347 2.647 20 30 CFEDMM C#CC[C@@H](C)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226184167 775727679 /nfs/dbraw/zinc/72/76/79/775727679.db2.gz BLMIEJGYTOZPHP-LLVKDONJSA-N -1 1 254.289 2.640 20 30 CFEDMM C[C@@H](Oc1nccc(/C=N/[O-])n1)c1cccc(F)c1F ZINC001226255435 775757600 /nfs/dbraw/zinc/75/76/00/775757600.db2.gz IYCFHYIVEIPYMP-RAKXPMKDSA-N -1 1 279.246 2.703 20 30 CFEDMM COCC(=O)c1ccc([O-])cc1OC1CCC(C#N)CC1 ZINC001227168765 776121254 /nfs/dbraw/zinc/12/12/54/776121254.db2.gz NFKPSMNGEHCXHU-UHFFFAOYSA-N -1 1 289.331 2.682 20 30 CFEDMM C=C[C@H](CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227168485 776121783 /nfs/dbraw/zinc/12/17/83/776121783.db2.gz IWNCLHVXLOQCBX-LLVKDONJSA-N -1 1 250.294 2.565 20 30 CFEDMM C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(=S)ncc1F ZINC001227385881 776190971 /nfs/dbraw/zinc/19/09/71/776190971.db2.gz MOHASUIIDVSLRD-SECBINFHSA-N -1 1 266.341 2.887 20 30 CFEDMM CC1(C)CC(=O)CC[C@@H]1Oc1ccc([O-])c(C#N)c1C#N ZINC001227620291 776247054 /nfs/dbraw/zinc/24/70/54/776247054.db2.gz ZGEYFIWPHRYOGH-HNNXBMFYSA-N -1 1 284.315 2.662 20 30 CFEDMM CC(=O)[C@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccccc1 ZINC001227617844 776247076 /nfs/dbraw/zinc/24/70/76/776247076.db2.gz HZJUWBZXQBWAAI-KRWDZBQOSA-N -1 1 292.294 2.845 20 30 CFEDMM N#CCN1CC[C@@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227641114 776249842 /nfs/dbraw/zinc/24/98/42/776249842.db2.gz KCDAUYACQYTTCM-MRVPVSSYSA-N -1 1 287.146 2.676 20 30 CFEDMM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)nc3c2COC3)C1 ZINC001227690789 776259952 /nfs/dbraw/zinc/25/99/52/776259952.db2.gz PGMFXWHVORQTOQ-RISCZKNCSA-N -1 1 288.347 2.892 20 30 CFEDMM C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=O)nc2c1CO[C@H]2C ZINC001227716460 776268791 /nfs/dbraw/zinc/26/87/91/776268791.db2.gz QJQSYHPBLWLXHM-QWRGUYRKSA-N -1 1 288.347 2.756 20 30 CFEDMM C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(=O)nc2c1CO[C@H]2C ZINC001227716461 776268958 /nfs/dbraw/zinc/26/89/58/776268958.db2.gz QJQSYHPBLWLXHM-WDEREUQCSA-N -1 1 288.347 2.756 20 30 CFEDMM N#Cc1ccc([O-])cc1OC[C@@H]1Cc2ccccc2O1 ZINC001228005191 776357141 /nfs/dbraw/zinc/35/71/41/776357141.db2.gz INRGNCXOOAHFQG-AWEZNQCLSA-N -1 1 267.284 2.646 20 30 CFEDMM N#Cc1ccc([O-])cc1O[C@H]1CCc2cccnc21 ZINC001228008553 776361184 /nfs/dbraw/zinc/36/11/84/776361184.db2.gz YKLAZRSRDMPKDX-ZDUSSCGKSA-N -1 1 252.273 2.725 20 30 CFEDMM C[C@@H](Oc1cc([O-])ccc1C#N)c1cccnc1F ZINC001228008329 776361206 /nfs/dbraw/zinc/36/12/06/776361206.db2.gz XCYAMXHKPPBJHC-SECBINFHSA-N -1 1 258.252 2.938 20 30 CFEDMM CSc1nc(O[C@H](C#N)c2ccccc2F)cc(=O)[n-]1 ZINC001228093654 776393431 /nfs/dbraw/zinc/39/34/31/776393431.db2.gz BUCITTJFBPLJED-SNVBAGLBSA-N -1 1 291.307 2.687 20 30 CFEDMM CSc1nc(O[C@@H](C)CC(C)(C)S)cc(=O)[n-]1 ZINC001228093642 776393480 /nfs/dbraw/zinc/39/34/80/776393480.db2.gz BQTDNPFOPQCANM-ZETCQYMHSA-N -1 1 274.411 2.770 20 30 CFEDMM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1cnnc(=S)[n-]1 ZINC001228635588 776547174 /nfs/dbraw/zinc/54/71/74/776547174.db2.gz BUDFRQWXILRHCJ-VWYCJHECSA-N -1 1 265.382 2.920 20 30 CFEDMM C=CCOc1ccccc1[C@H](C)Oc1cnnc(=S)[n-]1 ZINC001228641298 776549627 /nfs/dbraw/zinc/54/96/27/776549627.db2.gz CGOKZJKQWQQMNW-JTQLQIEISA-N -1 1 289.360 2.865 20 30 CFEDMM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2cnnc(=S)[n-]2)C1 ZINC001228643139 776550340 /nfs/dbraw/zinc/55/03/40/776550340.db2.gz XIMQKJVVEHWKMF-MNOVXSKESA-N -1 1 263.366 2.840 20 30 CFEDMM C#CC[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860261 776636861 /nfs/dbraw/zinc/63/68/61/776636861.db2.gz RZOWFRQPIHXLCB-ZCFIWIBFSA-N -1 1 290.197 2.505 20 30 CFEDMM C#CC[C@@H](CC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134732 776728378 /nfs/dbraw/zinc/72/83/78/776728378.db2.gz JNQRPKQUWHURAZ-LLVKDONJSA-N -1 1 258.273 2.679 20 30 CFEDMM C=C[C@@H](CC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229217676 776753890 /nfs/dbraw/zinc/75/38/90/776753890.db2.gz DEGPLLYCUMLKOO-JTQLQIEISA-N -1 1 276.288 2.851 20 30 CFEDMM CCC(=O)c1ccc([O-])cc1OC1=C(CC)O[C@@H](C)C1=O ZINC001229474444 776823049 /nfs/dbraw/zinc/82/30/49/776823049.db2.gz GIFCVXICFXSOFV-VIFPVBQESA-N -1 1 290.315 2.973 20 30 CFEDMM CCCOC(=O)[C@@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229736455 776882837 /nfs/dbraw/zinc/88/28/37/776882837.db2.gz CREUEKOYDYDYNF-HGLKBHAMSA-N -1 1 265.309 2.605 20 30 CFEDMM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nc(C(=O)OC)c[n-]2)C1 ZINC001230279073 776970730 /nfs/dbraw/zinc/97/07/30/776970730.db2.gz BWTGIMGLEWAOKG-YPMHNXCESA-N -1 1 276.336 2.876 20 30 CFEDMM C#C[C@H](Oc1nc(C(=O)OC)c[n-]1)[C@@H](CC)CCCC ZINC001230280716 776970995 /nfs/dbraw/zinc/97/09/95/776970995.db2.gz ZPVXBEWVCLKAKF-AAEUAGOBSA-N -1 1 278.352 2.793 20 30 CFEDMM C[C@@H](Oc1cccnc1-c1ncccc1[O-])[C@H](C)S ZINC001231202972 777170685 /nfs/dbraw/zinc/17/06/85/777170685.db2.gz FVBSMNOMRQMLST-ZJUUUORDSA-N -1 1 276.361 2.935 20 30 CFEDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)CC(C)(C)S)n1 ZINC001231264046 777180353 /nfs/dbraw/zinc/18/03/53/777180353.db2.gz OIPVDXDRCARMQA-MRVPVSSYSA-N -1 1 286.353 2.870 20 30 CFEDMM N#CC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC001231464994 777228631 /nfs/dbraw/zinc/22/86/31/777228631.db2.gz YLPQHDVLTLYNIF-JTQLQIEISA-N -1 1 264.350 2.572 20 30 CFEDMM N#C[C@@H]1CCCCN1Cc1ccc(Cl)c([O-])c1 ZINC001231733837 777318479 /nfs/dbraw/zinc/31/84/79/777318479.db2.gz IKFSJIIODQQSEI-NSHDSACASA-N -1 1 250.729 2.924 20 30 CFEDMM N#CCCN(CCC#N)Cc1ccc(Cl)c([O-])c1 ZINC001231737906 777321410 /nfs/dbraw/zinc/32/14/10/777321410.db2.gz YINKRIKMOFXAJW-UHFFFAOYSA-N -1 1 263.728 2.675 20 30 CFEDMM C#C[C@H](CCCCC)Oc1[n-]c(=S)ncc1OC ZINC001226243233 777487483 /nfs/dbraw/zinc/48/74/83/777487483.db2.gz ZPSUUSALWKDTBI-SNVBAGLBSA-N -1 1 266.366 2.735 20 30 CFEDMM N#Cc1ccc([O-])c(CN2CCO[C@H](c3ccccc3)C2)c1 ZINC001232679780 777639916 /nfs/dbraw/zinc/63/99/16/777639916.db2.gz RZRFNCRJLNBOSN-SFHVURJKSA-N -1 1 294.354 2.837 20 30 CFEDMM C#C[C@@H]1CCCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232936799 777726099 /nfs/dbraw/zinc/72/60/99/777726099.db2.gz GPMHUUCANRAAJP-SNVBAGLBSA-N -1 1 251.276 2.516 20 30 CFEDMM [O-]c1cc(CN2CCC(S)CC2)cc(F)c1F ZINC001232971947 777747882 /nfs/dbraw/zinc/74/78/82/777747882.db2.gz CRPUEMPRBVDEEP-UHFFFAOYSA-N -1 1 259.321 2.565 20 30 CFEDMM C#C[C@@H](CC(C)C)Oc1cc([O-])ccc1C(=O)COC ZINC001227172984 777778095 /nfs/dbraw/zinc/77/80/95/777778095.db2.gz STQMKWZTEMVYQB-ZDUSSCGKSA-N -1 1 276.332 2.648 20 30 CFEDMM CCN(Cc1ccc(C#N)cc1[O-])CC(F)(F)F ZINC001233386722 777928859 /nfs/dbraw/zinc/92/88/59/777928859.db2.gz GJVYLWXWLZMCNY-UHFFFAOYSA-N -1 1 258.243 2.648 20 30 CFEDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)C#C[Si](C)(C)C ZINC001234477634 778234797 /nfs/dbraw/zinc/23/47/97/778234797.db2.gz UWCNTJRZOSQIOL-SNVBAGLBSA-N -1 1 292.407 2.949 20 30 CFEDMM C=C(C)C[C@@H](Oc1c(C(=O)OC)nc(C)[n-]c1=O)C(=C)C ZINC001234560266 778252369 /nfs/dbraw/zinc/25/23/69/778252369.db2.gz CIYPWEPUPWBEFV-LLVKDONJSA-N -1 1 292.335 2.567 20 30 CFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001211923329 778279534 /nfs/dbraw/zinc/27/95/34/778279534.db2.gz YUVRVVPZOOZCGT-GFCCVEGCSA-N -1 1 289.759 2.559 20 30 CFEDMM C#C[C@@H](C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234741447 778294576 /nfs/dbraw/zinc/29/45/76/778294576.db2.gz IJCOJTZUHTZZGQ-SECBINFHSA-N -1 1 296.278 2.758 20 30 CFEDMM [O-]N=Cc1ccccc1OC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001234820846 778303870 /nfs/dbraw/zinc/30/38/70/778303870.db2.gz ZBAAKSONNCEDMN-ZBFHGGJFSA-N -1 1 291.347 2.949 20 30 CFEDMM Cc1ccc(F)c(-c2cc3nc[nH]c3c(C#N)n2)c1[O-] ZINC001236392144 778800476 /nfs/dbraw/zinc/80/04/76/778800476.db2.gz LVSAANVFARCVDU-UHFFFAOYSA-N -1 1 268.251 2.650 20 30 CFEDMM C=CCN(C)Cc1c(F)c([O-])ccc1Br ZINC001238307770 779291577 /nfs/dbraw/zinc/29/15/77/779291577.db2.gz HAERGBROGKSECE-UHFFFAOYSA-N -1 1 274.133 2.912 20 30 CFEDMM C[C@@H](C#N)N(C)Cc1c(F)c([O-])ccc1Br ZINC001238313382 779292811 /nfs/dbraw/zinc/29/28/11/779292811.db2.gz MPAINYSKFHZZFK-ZETCQYMHSA-N -1 1 287.132 2.638 20 30 CFEDMM COCOc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cn1 ZINC001235954578 779415394 /nfs/dbraw/zinc/41/53/94/779415394.db2.gz VWJYAEQWJUULFF-CAOOACKPSA-N -1 1 276.267 2.679 20 30 CFEDMM CS(=O)(=O)c1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001239836249 779811041 /nfs/dbraw/zinc/81/10/41/779811041.db2.gz QCZNZDQSQZYPFD-CXUHLZMHSA-N -1 1 293.319 2.704 20 30 CFEDMM CN(C)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cn1 ZINC001241370482 780823626 /nfs/dbraw/zinc/82/36/26/780823626.db2.gz FILJUMCWBHHXQZ-RQZCQDPDSA-N -1 1 259.284 2.762 20 30 CFEDMM N#Cc1cncc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151174 781303431 /nfs/dbraw/zinc/30/34/31/781303431.db2.gz GPMPALJXTKCKFD-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM Cc1cccc(-c2nc3c(cc2C#N)COCC3)c1[O-] ZINC001242344800 781417601 /nfs/dbraw/zinc/41/76/01/781417601.db2.gz DSLWAEHHLGQDDS-UHFFFAOYSA-N -1 1 266.300 2.707 20 30 CFEDMM CSc1nc(-c2ccc([O-])c(C#N)c2)ncc1F ZINC001242563501 781602298 /nfs/dbraw/zinc/60/22/98/781602298.db2.gz ZEJSURDFVKOFFU-UHFFFAOYSA-N -1 1 261.281 2.582 20 30 CFEDMM N#Cc1cc(-c2cc(C3(C#N)CC3)ccn2)ccc1[O-] ZINC001242563695 781602430 /nfs/dbraw/zinc/60/24/30/781602430.db2.gz IUDOLYOXXALGMS-UHFFFAOYSA-N -1 1 261.284 2.881 20 30 CFEDMM Cc1nc2c(ccn2C)c(-c2ccc([O-])c(C#N)c2)n1 ZINC001242563490 781602448 /nfs/dbraw/zinc/60/24/48/781602448.db2.gz ZAFKEUXOIPHRMN-UHFFFAOYSA-N -1 1 264.288 2.521 20 30 CFEDMM N#Cc1cc(-c2cnc(N3CCCCC3)nc2)ccc1[O-] ZINC001242564766 781603020 /nfs/dbraw/zinc/60/30/20/781603020.db2.gz SFHHGDRLHMNBOD-UHFFFAOYSA-N -1 1 280.331 2.711 20 30 CFEDMM N#Cc1cc(-c2ccc(C3=NNC(=O)CC3)cc2)ccc1[O-] ZINC001242564986 781603103 /nfs/dbraw/zinc/60/31/03/781603103.db2.gz FGQZDAJZKXCCHJ-UHFFFAOYSA-N -1 1 291.310 2.545 20 30 CFEDMM CC(=O)Nc1ccccc1-c1ccc([O-])c(C#N)c1 ZINC001242565194 781603484 /nfs/dbraw/zinc/60/34/84/781603484.db2.gz QCOVVLGVRVFIQN-UHFFFAOYSA-N -1 1 252.273 2.889 20 30 CFEDMM N#Cc1cc(-c2ccc(C(=O)N3CCCC3)cn2)ccc1[O-] ZINC001242564441 781603750 /nfs/dbraw/zinc/60/37/50/781603750.db2.gz ZXZXNUDMFCKSPH-UHFFFAOYSA-N -1 1 293.326 2.562 20 30 CFEDMM CCN(CC)C(=O)c1cncc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565365 781604935 /nfs/dbraw/zinc/60/49/35/781604935.db2.gz ZIWHTUFSZFGZSD-UHFFFAOYSA-N -1 1 295.342 2.808 20 30 CFEDMM COC(=O)c1cc(F)c(-c2ccc([O-])c(C#N)c2)cc1F ZINC001242565571 781605327 /nfs/dbraw/zinc/60/53/27/781605327.db2.gz KSWPDBAJUBPZIF-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM N#Cc1cc(-c2cc3[nH]cnc3cc2F)ccc1[O-] ZINC001242566656 781606160 /nfs/dbraw/zinc/60/61/60/781606160.db2.gz JVAFXUFOWQLVGB-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM N#Cc1cc(-c2ccc3c(c2)NC(=O)C32CC2)ccc1[O-] ZINC001242566578 781606347 /nfs/dbraw/zinc/60/63/47/781606347.db2.gz GVLUKUZLBJOQNA-UHFFFAOYSA-N -1 1 276.295 2.915 20 30 CFEDMM N#Cc1cc(-c2ccc(=O)n(C3CCC3)c2)ccc1[O-] ZINC001242566623 781607042 /nfs/dbraw/zinc/60/70/42/781607042.db2.gz HYPQQENKQMBPJF-UHFFFAOYSA-N -1 1 266.300 2.818 20 30 CFEDMM N#CCC1(CSc2nc(C(F)F)cc(=O)[n-]2)CC1 ZINC000594897143 349498142 /nfs/dbraw/zinc/49/81/42/349498142.db2.gz HUYWCKCALQINFD-UHFFFAOYSA-N -1 1 271.292 2.906 20 30 CFEDMM C[C@@]1(CN=c2[n-]c(C#N)c(Cl)s2)CC1(F)F ZINC000596476140 349912455 /nfs/dbraw/zinc/91/24/55/349912455.db2.gz HGJAAINRMUZYMZ-QMMMGPOBSA-N -1 1 263.700 2.547 20 30 CFEDMM CCC[C@H](C#N)NC(=O)c1ccc(Br)cc1[O-] ZINC000044483910 346394341 /nfs/dbraw/zinc/39/43/41/346394341.db2.gz PQPOTEOMQXLAQA-SECBINFHSA-N -1 1 297.152 2.577 20 30 CFEDMM CCc1nnc([N-]C(=O)c2ccc(C(=O)OC)s2)s1 ZINC000051473612 346504426 /nfs/dbraw/zinc/50/44/26/346504426.db2.gz JLAVLZDIESSLOZ-UHFFFAOYSA-N -1 1 297.361 2.585 20 30 CFEDMM N#CCc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000089493337 347519982 /nfs/dbraw/zinc/51/99/82/347519982.db2.gz XGRBXCXYKSNIRO-UHFFFAOYSA-N -1 1 270.263 2.850 20 30 CFEDMM C=CCN(CCc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000109959181 347747412 /nfs/dbraw/zinc/74/74/12/347747412.db2.gz KURBNMDPFLIYGU-UHFFFAOYSA-N -1 1 282.343 2.658 20 30 CFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2F)c(F)c1 ZINC000128902745 347855060 /nfs/dbraw/zinc/85/50/60/347855060.db2.gz REJLBMXSQPSNJY-UHFFFAOYSA-N -1 1 294.282 2.637 20 30 CFEDMM CCc1cc(C#N)c([N-]C(=O)c2cc(C)no2)s1 ZINC000126776645 347837116 /nfs/dbraw/zinc/83/71/16/347837116.db2.gz ZFRKQLZQKPVUOY-UHFFFAOYSA-N -1 1 261.306 2.731 20 30 CFEDMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589184662 348816961 /nfs/dbraw/zinc/81/69/61/348816961.db2.gz VIWJXXXYQIOWRF-SJLPKXTDSA-N -1 1 292.338 2.724 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000589184174 348817029 /nfs/dbraw/zinc/81/70/29/348817029.db2.gz COJFTIYGZQEKQR-VNHYZAJKSA-N -1 1 284.359 2.962 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ncc(Cl)s2)c1 ZINC000589184218 348817258 /nfs/dbraw/zinc/81/72/58/348817258.db2.gz HWLNJFQVSZMWBV-UHFFFAOYSA-N -1 1 279.708 2.626 20 30 CFEDMM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589184659 348817350 /nfs/dbraw/zinc/81/73/50/348817350.db2.gz VIWJXXXYQIOWRF-FUHWJXTLSA-N -1 1 292.338 2.724 20 30 CFEDMM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589184666 348817401 /nfs/dbraw/zinc/81/74/01/348817401.db2.gz VIWJXXXYQIOWRF-WMZOPIPTSA-N -1 1 292.338 2.724 20 30 CFEDMM CC(C)CCN(CCC#N)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589189297 348817760 /nfs/dbraw/zinc/81/77/60/348817760.db2.gz FPZFCMNQSNYZRD-UHFFFAOYSA-N -1 1 285.347 2.666 20 30 CFEDMM CC[C@@]1(C)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589190703 348818324 /nfs/dbraw/zinc/81/83/24/348818324.db2.gz IXNQCBUADRXLCC-HNNXBMFYSA-N -1 1 258.321 2.526 20 30 CFEDMM CCN(CCC1CC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589206169 348819693 /nfs/dbraw/zinc/81/96/93/348819693.db2.gz KWUZRSXUUZTTDD-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM N#CC1(CC(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000590311046 348892578 /nfs/dbraw/zinc/89/25/78/348892578.db2.gz SYFVQLBPUVDWOE-UHFFFAOYSA-N -1 1 250.685 2.678 20 30 CFEDMM CC1(C)CN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H]2CCC[C@@H]21 ZINC000590525667 348907786 /nfs/dbraw/zinc/90/77/86/348907786.db2.gz BJRWEAPZGLSLDH-LSDHHAIUSA-N -1 1 284.359 2.915 20 30 CFEDMM CN(CCC(C)(C)C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000592835694 349170336 /nfs/dbraw/zinc/17/03/36/349170336.db2.gz LDFYPTVKBBAJNU-UHFFFAOYSA-N -1 1 260.337 2.772 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC3(CC3(F)F)CC2)c1 ZINC000593825159 349329942 /nfs/dbraw/zinc/32/99/42/349329942.db2.gz CTYBRPHOLOAZRT-UHFFFAOYSA-N -1 1 292.285 2.525 20 30 CFEDMM CC(C)(CC#N)CNC(=O)c1ncc2ccccc2c1[O-] ZINC000597760680 350132914 /nfs/dbraw/zinc/13/29/14/350132914.db2.gz JVOATBMYJAYKFA-UHFFFAOYSA-N -1 1 283.331 2.610 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC(F)(F)CC2)c1 ZINC000600254138 350545288 /nfs/dbraw/zinc/54/52/88/350545288.db2.gz KFIKTYZKOLZRNJ-UHFFFAOYSA-N -1 1 280.274 2.525 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCCC3(CC3)CC2)cc1[O-] ZINC000600769497 350607694 /nfs/dbraw/zinc/60/76/94/350607694.db2.gz WBYXQWAJZRTBTD-UHFFFAOYSA-N -1 1 270.332 2.670 20 30 CFEDMM CCC(C)(C)CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000601744844 350770821 /nfs/dbraw/zinc/77/08/21/350770821.db2.gz MZFWPWJUXJFKPT-UHFFFAOYSA-N -1 1 260.337 2.820 20 30 CFEDMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000601804843 350779094 /nfs/dbraw/zinc/77/90/94/350779094.db2.gz MTKJAJRXUXWRIF-WCQYABFASA-N -1 1 292.766 2.739 20 30 CFEDMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCC[C@@H]1C#N ZINC000601824742 350787207 /nfs/dbraw/zinc/78/72/07/350787207.db2.gz XTYFVYVVHZJTER-BXKDBHETSA-N -1 1 278.739 2.810 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccnn2CC2CCC2)c1 ZINC000601885519 350798123 /nfs/dbraw/zinc/79/81/23/350798123.db2.gz QAFOSPQEWFFCPA-UHFFFAOYSA-N -1 1 296.330 2.513 20 30 CFEDMM CC(C)c1c(Cc2ccccc2)[n-]n(C[C@@H](C)C#N)c1=O ZINC000601932796 350805967 /nfs/dbraw/zinc/80/59/67/350805967.db2.gz NQCJTWHUBNOAMD-BBRMVZONSA-N -1 1 283.375 2.859 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccccc2Cl)c1 ZINC000614292862 352076417 /nfs/dbraw/zinc/07/64/17/352076417.db2.gz COSYQGYZHNIMHT-UHFFFAOYSA-N -1 1 286.718 2.847 20 30 CFEDMM Cc1ccccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293038 352076199 /nfs/dbraw/zinc/07/61/99/352076199.db2.gz POADTNLPRLWASP-UHFFFAOYSA-N -1 1 266.300 2.502 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCC2=CCCCC2)c1 ZINC000614293526 352076218 /nfs/dbraw/zinc/07/62/18/352076218.db2.gz ZHTYPJFCJIPCTE-UHFFFAOYSA-N -1 1 270.332 2.884 20 30 CFEDMM COc1cc(NC(=O)c2cc([O-])cc(C#N)c2)cc(OC)c1 ZINC000614292962 352076241 /nfs/dbraw/zinc/07/62/41/352076241.db2.gz KDIZQGVYJSWEIA-UHFFFAOYSA-N -1 1 298.298 2.533 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC2CCCCCC2)c1 ZINC000614293278 352076259 /nfs/dbraw/zinc/07/62/59/352076259.db2.gz GLUUUSVQZOXWPY-UHFFFAOYSA-N -1 1 258.321 2.716 20 30 CFEDMM CCc1cnc(NC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000614299898 352077011 /nfs/dbraw/zinc/07/70/11/352077011.db2.gz FODCMBAYJDORIQ-UHFFFAOYSA-N -1 1 273.317 2.535 20 30 CFEDMM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614298799 352077075 /nfs/dbraw/zinc/07/70/75/352077075.db2.gz DRMWYLOAPBCYED-INIZCTEOSA-N -1 1 295.342 2.882 20 30 CFEDMM CCCc1cnc(NC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000614304835 352077975 /nfs/dbraw/zinc/07/79/75/352077975.db2.gz INCOTYKOTCDGQB-UHFFFAOYSA-N -1 1 287.344 2.925 20 30 CFEDMM CCSCC[C@H](C)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614370564 352086447 /nfs/dbraw/zinc/08/64/47/352086447.db2.gz HYMSIEUBMZQHGT-NSHDSACASA-N -1 1 292.404 2.868 20 30 CFEDMM C=CCC1(C(=O)N=c2[nH][n-]c(C)c2Br)CCC1 ZINC000616009147 352273927 /nfs/dbraw/zinc/27/39/27/352273927.db2.gz PZBPGDSMGNSXED-UHFFFAOYSA-N -1 1 298.184 2.587 20 30 CFEDMM C=CCCCN(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000668940616 539910800 /nfs/dbraw/zinc/91/08/00/539910800.db2.gz ANMNOXOQUWJIFQ-UHFFFAOYSA-N -1 1 270.332 2.979 20 30 CFEDMM N#Cc1cc(CSc2nc(C3CC3)cc(=O)[n-]2)ccn1 ZINC000618149105 352724051 /nfs/dbraw/zinc/72/40/51/352724051.db2.gz SLDFXOCMGRGMRB-UHFFFAOYSA-N -1 1 284.344 2.619 20 30 CFEDMM C[C@H](CC#N)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582300 353038031 /nfs/dbraw/zinc/03/80/31/353038031.db2.gz FTVXZBZGBSGMMQ-MRVPVSSYSA-N -1 1 286.253 2.785 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1[O-] ZINC000336153130 283130506 /nfs/dbraw/zinc/13/05/06/283130506.db2.gz MFFISRXDPBCKTD-HUUCEWRRSA-N -1 1 278.311 2.550 20 30 CFEDMM COc1nc(-c2ccc(F)c([O-])c2)c(F)cc1C#N ZINC001243046731 781950765 /nfs/dbraw/zinc/95/07/65/781950765.db2.gz HPFQQHNFVTTWMO-UHFFFAOYSA-N -1 1 262.215 2.613 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1[O-] ZINC000443287073 241050401 /nfs/dbraw/zinc/05/04/01/241050401.db2.gz IVGXMAXZRHOTKA-TYNCELHUSA-N -1 1 284.359 2.962 20 30 CFEDMM CCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(C)(C)C ZINC000451774284 242946946 /nfs/dbraw/zinc/94/69/46/242946946.db2.gz BCTAGOLUSOEAKC-NSHDSACASA-N -1 1 284.381 2.644 20 30 CFEDMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000452537254 243219891 /nfs/dbraw/zinc/21/98/91/243219891.db2.gz ZYEFXEQLUPZTQX-BXUZGUMPSA-N -1 1 272.348 2.820 20 30 CFEDMM CSc1nc(C)c(C#N)c(-c2ccc(F)c([O-])c2)n1 ZINC001243054765 781960828 /nfs/dbraw/zinc/96/08/28/781960828.db2.gz RLHKOUXPTKIOBH-UHFFFAOYSA-N -1 1 275.308 2.890 20 30 CFEDMM CCN(CCC#N)C(=O)c1cc2ccccc2cc1[O-] ZINC000042451242 372926198 /nfs/dbraw/zinc/92/61/98/372926198.db2.gz XDINIDAYHZDPNK-UHFFFAOYSA-N -1 1 268.316 2.921 20 30 CFEDMM C=C(C)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000122643035 376934072 /nfs/dbraw/zinc/93/40/72/376934072.db2.gz GBPYATXSHVEPRS-UHFFFAOYSA-N -1 1 286.205 2.909 20 30 CFEDMM N#CCCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000122669289 376934116 /nfs/dbraw/zinc/93/41/16/376934116.db2.gz WCHFFSJQVARYNW-UHFFFAOYSA-N -1 1 277.271 2.987 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1[O-] ZINC000335385338 379199923 /nfs/dbraw/zinc/19/99/23/379199923.db2.gz PJKQCSSLVUQXBK-WKILWMFISA-N -1 1 292.338 2.940 20 30 CFEDMM N#Cc1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000334436076 379296504 /nfs/dbraw/zinc/29/65/04/379296504.db2.gz POKHFORKPYEMOM-UHFFFAOYSA-N -1 1 270.263 2.584 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000335203466 380001658 /nfs/dbraw/zinc/00/16/58/380001658.db2.gz PGHRNGALSGOHQV-NSHDSACASA-N -1 1 277.349 2.520 20 30 CFEDMM N#CCc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000335933193 380122120 /nfs/dbraw/zinc/12/21/20/380122120.db2.gz OMKBBDRPOUZLIE-UHFFFAOYSA-N -1 1 270.263 2.850 20 30 CFEDMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336447014 380348240 /nfs/dbraw/zinc/34/82/40/380348240.db2.gz PRNSTRRECHKSRT-MFKMUULPSA-N -1 1 258.321 2.667 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000178330821 380436268 /nfs/dbraw/zinc/43/62/68/380436268.db2.gz RQHUKQLQALMJSM-UHFFFAOYSA-N -1 1 256.236 2.655 20 30 CFEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc([O-])cc2F)C1 ZINC000181982126 380958227 /nfs/dbraw/zinc/95/82/27/380958227.db2.gz UARDIFAYYPWUMX-BMIGLBTASA-N -1 1 276.311 2.734 20 30 CFEDMM Cc1cc(Cl)cc(NC(=O)c2cnccc2C#N)c1[O-] ZINC000342636435 381447511 /nfs/dbraw/zinc/44/75/11/381447511.db2.gz UNEYSGQIOUUJGO-UHFFFAOYSA-N -1 1 287.706 2.873 20 30 CFEDMM CCCC[C@@H](C)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000359657609 381538104 /nfs/dbraw/zinc/53/81/04/381538104.db2.gz HKTAOZHBRPDGHH-LLVKDONJSA-N -1 1 260.337 2.915 20 30 CFEDMM CCCC[C@H](C)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000359657610 381538291 /nfs/dbraw/zinc/53/82/91/381538291.db2.gz HKTAOZHBRPDGHH-NSHDSACASA-N -1 1 260.337 2.915 20 30 CFEDMM N#CC(=C([O-])c1cncnc1)c1nccc2ccccc21 ZINC000361517598 381837506 /nfs/dbraw/zinc/83/75/06/381837506.db2.gz DOZHZOJCMPAYBL-AWEZNQCLSA-N -1 1 274.283 2.515 20 30 CFEDMM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344210859 382201039 /nfs/dbraw/zinc/20/10/39/382201039.db2.gz DAUHFNBVVONGKF-LLVKDONJSA-N -1 1 284.381 2.646 20 30 CFEDMM C=CCC[C@@H](C(=O)[N-]OC[C@@H]1CCOC1)c1ccccc1 ZINC000187872592 382285509 /nfs/dbraw/zinc/28/55/09/382285509.db2.gz WYRPDMULODJVMH-GDBMZVCRSA-N -1 1 289.375 2.821 20 30 CFEDMM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188612603 382443059 /nfs/dbraw/zinc/44/30/59/382443059.db2.gz NXDRVRKYLMUUJL-OCCSQVGLSA-N -1 1 290.388 2.668 20 30 CFEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1c(C)noc1C ZINC000188732309 382466121 /nfs/dbraw/zinc/46/61/21/382466121.db2.gz DWOTYQPOTKKISK-ZDUSSCGKSA-N -1 1 299.330 2.750 20 30 CFEDMM CSCCCCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188829653 382487342 /nfs/dbraw/zinc/48/73/42/382487342.db2.gz TVJAPZFLIWYFBY-UHFFFAOYSA-N -1 1 278.377 2.527 20 30 CFEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000352994833 382487848 /nfs/dbraw/zinc/48/78/48/382487848.db2.gz XFEYMBUMIDNTMD-ZCFIWIBFSA-N -1 1 298.166 2.985 20 30 CFEDMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1C ZINC000189795173 382640998 /nfs/dbraw/zinc/64/09/98/382640998.db2.gz WEXXZOUZVPRQRN-JTNHKYCSSA-N -1 1 272.348 2.818 20 30 CFEDMM Cc1ccc([O-])c(C(=O)/C=C/c2cn(C(C)(C)C)nn2)c1 ZINC000191320147 382698365 /nfs/dbraw/zinc/69/83/65/382698365.db2.gz KZXVFAOMGDSWRI-SOFGYWHQSA-N -1 1 285.347 2.943 20 30 CFEDMM C[C@@H](C1CCC1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442673856 382944280 /nfs/dbraw/zinc/94/42/80/382944280.db2.gz UMAJUWJYLGXUKL-JTQLQIEISA-N -1 1 258.321 2.524 20 30 CFEDMM Cc1cccnc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000429329616 383520528 /nfs/dbraw/zinc/52/05/28/383520528.db2.gz AYOKYSOWSGYHIS-LLVKDONJSA-N -1 1 276.299 2.756 20 30 CFEDMM CC1(C)CCC[C@H]1CC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000528442686 383539588 /nfs/dbraw/zinc/53/95/88/383539588.db2.gz FQNQDAUZPUHKLE-NSHDSACASA-N -1 1 296.392 2.646 20 30 CFEDMM C=CCN(CCC#N)C(=O)c1ccc(Cl)cc1[O-] ZINC000436839626 383898250 /nfs/dbraw/zinc/89/82/50/383898250.db2.gz OMXOTCPZZJYKON-UHFFFAOYSA-N -1 1 264.712 2.587 20 30 CFEDMM C=C(C)[C@H](CC(=O)[N-]OCc1ccccc1)OCC ZINC000270128098 384987125 /nfs/dbraw/zinc/98/71/25/384987125.db2.gz NYWFBDXLDFNWKE-AWEZNQCLSA-N -1 1 263.337 2.606 20 30 CFEDMM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188591129 262321628 /nfs/dbraw/zinc/32/16/28/262321628.db2.gz NGNHIWVSJXXGCM-MNOVXSKESA-N -1 1 258.321 2.524 20 30 CFEDMM CNc1ccc(C#N)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000436999636 394042420 /nfs/dbraw/zinc/04/24/20/394042420.db2.gz KOKLHSTYXHUSBW-UHFFFAOYSA-N -1 1 281.315 2.866 20 30 CFEDMM C#C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC000491348392 394048678 /nfs/dbraw/zinc/04/86/78/394048678.db2.gz CPEMOZZCEINXRW-OAHLLOKOSA-N -1 1 287.265 2.775 20 30 CFEDMM C[C@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344551005 162064490 /nfs/dbraw/zinc/06/44/90/162064490.db2.gz CWAIBHDXLJUBBO-RYUDHWBXSA-N -1 1 296.392 2.646 20 30 CFEDMM C#CCN(CC)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000285055984 196187033 /nfs/dbraw/zinc/18/70/33/196187033.db2.gz OIWCVJOUCFSNHY-UHFFFAOYSA-N -1 1 291.734 2.607 20 30 CFEDMM Cc1cnc(C(=O)NC[C@@H]2CCCSC2)c([O-])c1 ZINC000330220399 228070161 /nfs/dbraw/zinc/07/01/61/228070161.db2.gz QEZMJGJERCNXCP-JTQLQIEISA-N -1 1 266.366 2.543 20 30 CFEDMM N#CCCC[C@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC000352193467 228195062 /nfs/dbraw/zinc/19/50/62/228195062.db2.gz SPFNJJGVGUZJBU-AWEZNQCLSA-N -1 1 295.342 2.952 20 30 CFEDMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)[C@@H](C#N)CC)c1 ZINC000088485313 260232719 /nfs/dbraw/zinc/23/27/19/260232719.db2.gz ZWVVDHXCLBAZIW-BXUZGUMPSA-N -1 1 296.392 2.908 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)cc1[O-] ZINC000188438838 262297366 /nfs/dbraw/zinc/29/73/66/262297366.db2.gz UDCRWDIUGAGRNC-CQSZACIVSA-N -1 1 270.332 2.669 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000120305631 263284066 /nfs/dbraw/zinc/28/40/66/263284066.db2.gz RRAMNZRFCPPSKH-UHFFFAOYSA-N -1 1 291.319 2.648 20 30 CFEDMM Cc1cnc(C(=O)NC[C@]2(C)CCCS2)c([O-])c1 ZINC000330880466 264061520 /nfs/dbraw/zinc/06/15/20/264061520.db2.gz MUYPTKTWEWUQIZ-ZDUSSCGKSA-N -1 1 266.366 2.686 20 30 CFEDMM CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000331200993 264159959 /nfs/dbraw/zinc/15/99/59/264159959.db2.gz APRHLVNQFLAIPT-UKRRQHHQSA-N -1 1 288.347 2.630 20 30 CFEDMM COc1cc(C(=O)NC[C@@H]2CCCOC2)cc(Cl)c1[O-] ZINC000331203275 264160612 /nfs/dbraw/zinc/16/06/12/264160612.db2.gz BUKFAMKPKHKHPD-VIFPVBQESA-N -1 1 299.754 2.785 20 30 CFEDMM NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000331250024 264180843 /nfs/dbraw/zinc/18/08/43/264180843.db2.gz WIJLTLYEMNTNRC-GHMZBOCLSA-N -1 1 290.319 2.625 20 30 CFEDMM C#CCCCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000130525162 264355604 /nfs/dbraw/zinc/35/56/04/264355604.db2.gz SLVRQLGMRMIPGY-UHFFFAOYSA-N -1 1 296.374 2.664 20 30 CFEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(F)ccc2[O-])C1 ZINC000094153541 265221050 /nfs/dbraw/zinc/22/10/50/265221050.db2.gz WKSJSPNSLCUCHG-BONVTDFDSA-N -1 1 276.311 2.734 20 30 CFEDMM C[C@H]1CC(F)(F)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000530010880 270743834 /nfs/dbraw/zinc/74/38/34/270743834.db2.gz ZLACEGWMGHDXAR-VIFPVBQESA-N -1 1 280.274 2.524 20 30 CFEDMM CC(C)[C@H]1N(C(=O)c2ccc(C#N)c([O-])c2)CC12CCC2 ZINC000335951036 277972351 /nfs/dbraw/zinc/97/23/51/277972351.db2.gz ZVRBESYGFCXTSD-OAHLLOKOSA-N -1 1 284.359 2.915 20 30 CFEDMM Cn1cccc1[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188236880 324010979 /nfs/dbraw/zinc/01/09/79/324010979.db2.gz PWEDBDIPDVCGEX-OAHLLOKOSA-N -1 1 295.342 2.580 20 30 CFEDMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188266792 324012026 /nfs/dbraw/zinc/01/20/26/324012026.db2.gz IJGMXBHNKQGMRK-FZMZJTMJSA-N -1 1 272.348 2.915 20 30 CFEDMM CC(C)(C)CCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188489846 324015882 /nfs/dbraw/zinc/01/58/82/324015882.db2.gz DXZYNZTWAZIQMJ-UHFFFAOYSA-N -1 1 260.337 2.820 20 30 CFEDMM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188519113 324016703 /nfs/dbraw/zinc/01/67/03/324016703.db2.gz YTSGTSSGNHWVPN-OLZOCXBDSA-N -1 1 290.388 2.668 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1[O-] ZINC000188566139 324017556 /nfs/dbraw/zinc/01/75/56/324017556.db2.gz VZXYHHAQGIMSFD-FZMZJTMJSA-N -1 1 270.332 2.669 20 30 CFEDMM CC(=Cc1cc(F)ccc1F)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193613395 324074926 /nfs/dbraw/zinc/07/49/26/324074926.db2.gz PHQZTUZYIJGOIW-YVMONPNESA-N -1 1 287.269 2.789 20 30 CFEDMM CC[C@H](C#N)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000331214834 328478404 /nfs/dbraw/zinc/47/84/04/328478404.db2.gz CBJULICYVHXPRY-RXMQYKEDSA-N -1 1 263.244 2.595 20 30 CFEDMM C=CCCCCCNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000582496877 329101407 /nfs/dbraw/zinc/10/14/07/329101407.db2.gz ONGSUCLEPCVJCC-UHFFFAOYSA-N -1 1 295.408 2.689 20 30 CFEDMM Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000079640083 330050957 /nfs/dbraw/zinc/05/09/57/330050957.db2.gz NYIBQARIVPWPPH-LLVKDONJSA-N -1 1 276.299 2.756 20 30 CFEDMM C=CC(C)(C)CCN=c1nc([C@@H](C)OC)[n-]s1 ZINC000528075829 330305483 /nfs/dbraw/zinc/30/54/83/330305483.db2.gz UPONAZGPGLWPJK-SECBINFHSA-N -1 1 255.387 2.682 20 30 CFEDMM Cn1cncc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000436695422 330682800 /nfs/dbraw/zinc/68/28/00/330682800.db2.gz FDUXLQYLONOTRN-SECBINFHSA-N -1 1 282.328 2.520 20 30 CFEDMM C=C(CC)C[N-]S(=O)(=O)c1sccc1Cl ZINC000452039094 331051461 /nfs/dbraw/zinc/05/14/61/331051461.db2.gz GDJAVQCTIIPLQU-UHFFFAOYSA-N -1 1 265.787 2.646 20 30 CFEDMM C#C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(C)(C)C ZINC000491784637 332347734 /nfs/dbraw/zinc/34/77/34/332347734.db2.gz RHTJLLOHOVYNOG-GFCCVEGCSA-N -1 1 295.766 2.832 20 30 CFEDMM C#C[C@H](CCC)NC(=O)c1ccc(Br)c([O-])c1 ZINC000233357965 333351694 /nfs/dbraw/zinc/35/16/94/333351694.db2.gz BUQKJMUYOVBCSN-SNVBAGLBSA-N -1 1 296.164 2.686 20 30 CFEDMM N#CCCC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000581545785 336099683 /nfs/dbraw/zinc/09/96/83/336099683.db2.gz BHBMWQBCGQCWED-UHFFFAOYSA-N -1 1 289.335 2.816 20 30 CFEDMM C=C1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000264057956 534458963 /nfs/dbraw/zinc/45/89/63/534458963.db2.gz BOTFDAOFTWYUKM-UHFFFAOYSA-N -1 1 296.164 2.947 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCc3ccsc3C2)cc1[O-] ZINC000336403845 526593494 /nfs/dbraw/zinc/59/34/94/526593494.db2.gz FUDMCVQZAAEZIE-UHFFFAOYSA-N -1 1 284.340 2.524 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1[O-] ZINC000336153128 526601325 /nfs/dbraw/zinc/60/13/25/526601325.db2.gz MFFISRXDPBCKTD-CABCVRRESA-N -1 1 278.311 2.550 20 30 CFEDMM N#Cc1ccc(CN2CCC(CCC(=O)[O-])CC2)c(F)c1 ZINC000050926077 526610341 /nfs/dbraw/zinc/61/03/41/526610341.db2.gz WFNPWCJEKYTYFN-UHFFFAOYSA-N -1 1 290.338 2.774 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(C)cc(C)c1 ZINC000730431290 574080952 /nfs/dbraw/zinc/08/09/52/574080952.db2.gz XWKLQYLIUTZEHZ-UHFFFAOYSA-N -1 1 270.336 2.944 20 30 CFEDMM C#C[C@@H](CC)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000754393699 574102651 /nfs/dbraw/zinc/10/26/51/574102651.db2.gz FZHWBJKXTRPXRN-VIFPVBQESA-N -1 1 271.238 2.553 20 30 CFEDMM CN(Cc1ccccc1C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000737491808 574144921 /nfs/dbraw/zinc/14/49/21/574144921.db2.gz KAZJGIQJIMOWRB-INIZCTEOSA-N -1 1 280.327 2.816 20 30 CFEDMM CCn1cc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cn1 ZINC000732530777 574160293 /nfs/dbraw/zinc/16/02/93/574160293.db2.gz QZGHJVDUVPDBKX-WLRTZDKTSA-N -1 1 270.288 2.533 20 30 CFEDMM N#Cc1ccc(NN=Cc2cccc(F)c2[O-])cc1 ZINC000755644149 574174470 /nfs/dbraw/zinc/17/44/70/574174470.db2.gz HEROGPQHECQQMC-UHFFFAOYSA-N -1 1 255.252 2.849 20 30 CFEDMM CCCCC(CC)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000732924750 574178470 /nfs/dbraw/zinc/17/84/70/574178470.db2.gz HBCYXUQSFBTNMD-UHFFFAOYSA-N -1 1 293.392 2.681 20 30 CFEDMM N#CCCCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739068201 574196738 /nfs/dbraw/zinc/19/67/38/574196738.db2.gz BJZIIYBWPMASCG-UHFFFAOYSA-N -1 1 296.754 2.626 20 30 CFEDMM N#CCCCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739068201 574196741 /nfs/dbraw/zinc/19/67/41/574196741.db2.gz BJZIIYBWPMASCG-UHFFFAOYSA-N -1 1 296.754 2.626 20 30 CFEDMM Cc1ccc(N=NCc2ccc([O-])c(Cl)c2)nn1 ZINC000729937852 574238882 /nfs/dbraw/zinc/23/88/82/574238882.db2.gz HPZXVNVCSTVVHP-UHFFFAOYSA-N -1 1 262.700 2.590 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cnc3ccccn13)O2 ZINC000740764754 574266535 /nfs/dbraw/zinc/26/65/35/574266535.db2.gz DUYMKQIGCDDWQP-AUWJEWJLSA-N -1 1 292.294 2.965 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cccs1 ZINC000756906079 574271804 /nfs/dbraw/zinc/27/18/04/574271804.db2.gz SQZYGIVVIDVNIM-UHFFFAOYSA-N -1 1 276.317 2.901 20 30 CFEDMM COc1ccc(C=NNc2nc(C)cc(=O)[n-]2)cc1Cl ZINC000741448831 574290319 /nfs/dbraw/zinc/29/03/19/574290319.db2.gz HELQZFBNAFWQFZ-UHFFFAOYSA-N -1 1 292.726 2.599 20 30 CFEDMM CCCCCCCCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000736161216 574352647 /nfs/dbraw/zinc/35/26/47/574352647.db2.gz UWTXKERKKHVEMP-UHFFFAOYSA-N -1 1 293.415 2.836 20 30 CFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2C)o1 ZINC000736259576 574358177 /nfs/dbraw/zinc/35/81/77/574358177.db2.gz FHGBQVVZVQQGBU-QMMMGPOBSA-N -1 1 289.343 2.566 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCc3c2cc(F)cc3F)n1 ZINC000752712624 574393861 /nfs/dbraw/zinc/39/38/61/574393861.db2.gz BBUZXGMVUOXILJ-UHFFFAOYSA-N -1 1 290.273 2.531 20 30 CFEDMM COc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])c(O)c1 ZINC000832157831 601825460 /nfs/dbraw/zinc/82/54/60/601825460.db2.gz ZOTNJMYQKRRFJV-GORDUTHDSA-N -1 1 288.255 2.588 20 30 CFEDMM Cc1ccc(NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)nc1 ZINC000794901863 602073780 /nfs/dbraw/zinc/07/37/80/602073780.db2.gz JHAFMIFFTVIPSU-GFCCVEGCSA-N -1 1 299.330 2.688 20 30 CFEDMM C=C(Br)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000135032021 604952051 /nfs/dbraw/zinc/95/20/51/604952051.db2.gz WPLVHEOVKJVTMB-SNVBAGLBSA-N -1 1 290.201 2.718 20 30 CFEDMM O=C([O-])c1ccccc1N=NCc1ccc(O)cc1 ZINC000812443001 605098709 /nfs/dbraw/zinc/09/87/09/605098709.db2.gz KYWVJSICRJEMMF-UHFFFAOYSA-N -1 1 256.261 2.536 20 30 CFEDMM CC(=NNc1ccccc1C(=O)[O-])c1cccc(O)c1 ZINC000812444923 605101038 /nfs/dbraw/zinc/10/10/38/605101038.db2.gz PLWZUIBWNDIUBO-UHFFFAOYSA-N -1 1 270.288 2.927 20 30 CFEDMM N#CCCCCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900573691 620690003 /nfs/dbraw/zinc/69/00/03/620690003.db2.gz MQRSECDSMXDLRW-UHFFFAOYSA-N -1 1 287.294 2.503 20 30 CFEDMM CC(C)=CCCC(C)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000820004821 606433528 /nfs/dbraw/zinc/43/35/28/606433528.db2.gz DNZSSSLCIJYSOL-UHFFFAOYSA-N -1 1 289.343 2.697 20 30 CFEDMM O=C(C=Cc1cccc(O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400765 608092844 /nfs/dbraw/zinc/09/28/44/608092844.db2.gz HTFWTBJDDCWPAU-SNAWJCMRSA-N -1 1 298.327 2.530 20 30 CFEDMM O=C(C=Cc1cccc(O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400765 608092845 /nfs/dbraw/zinc/09/28/45/608092845.db2.gz HTFWTBJDDCWPAU-SNAWJCMRSA-N -1 1 298.327 2.530 20 30 CFEDMM CC(=NOCc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823962114 608094774 /nfs/dbraw/zinc/09/47/74/608094774.db2.gz FNRXXFXYWQTSSU-UHFFFAOYSA-N -1 1 299.359 2.869 20 30 CFEDMM CC(=NOC1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823962300 608391915 /nfs/dbraw/zinc/39/19/15/608391915.db2.gz IZWBLDGQKQVTIC-UHFFFAOYSA-N -1 1 277.353 2.611 20 30 CFEDMM C=CC[C@H]1CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000890555645 617648591 /nfs/dbraw/zinc/64/85/91/617648591.db2.gz BKTKVJXPJIPFEK-JTQLQIEISA-N -1 1 296.164 2.945 20 30 CFEDMM C#C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000890647352 617732686 /nfs/dbraw/zinc/73/26/86/617732686.db2.gz FVEFLVAOQZKJBK-NSHDSACASA-N -1 1 263.724 2.674 20 30 CFEDMM C#C[C@H]1CCCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000890657088 617741944 /nfs/dbraw/zinc/74/19/44/617741944.db2.gz JHVYDJWVYZWPOK-NSHDSACASA-N -1 1 298.317 2.707 20 30 CFEDMM C#C[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000890657184 617742958 /nfs/dbraw/zinc/74/29/58/617742958.db2.gz LCAADRUALVTIDK-LBPRGKRZSA-N -1 1 277.751 2.602 20 30 CFEDMM C#C[C@@H]1CCCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000890657183 617743030 /nfs/dbraw/zinc/74/30/30/617743030.db2.gz LCAADRUALVTIDK-GFCCVEGCSA-N -1 1 277.751 2.602 20 30 CFEDMM CCCCNN=Cc1cccc([O-])c1Br ZINC000841618845 617772097 /nfs/dbraw/zinc/77/20/97/617772097.db2.gz IBEOTBQEGDZMOQ-UHFFFAOYSA-N -1 1 271.158 2.878 20 30 CFEDMM C#CCCCCC[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934269100 617981139 /nfs/dbraw/zinc/98/11/39/617981139.db2.gz CRZYKDWZZOXPBI-ZDUSSCGKSA-N -1 1 289.379 2.521 20 30 CFEDMM CCn1cc(/C=C\C(=O)c2cc(C)ccc2[O-])cn1 ZINC000255141146 618004673 /nfs/dbraw/zinc/00/46/73/618004673.db2.gz UQIKOPANJWNWJA-ALCCZGGFSA-N -1 1 256.305 2.813 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NN[C@H]1CCCSC1 ZINC000901277395 620775344 /nfs/dbraw/zinc/77/53/44/620775344.db2.gz AQSOVWWJDAQWTQ-JTQLQIEISA-N -1 1 268.357 2.659 20 30 CFEDMM O=C(/C=C\c1ccccc1[N+](=O)[O-])c1cc(O)ccc1[O-] ZINC000255568817 618161475 /nfs/dbraw/zinc/16/14/75/618161475.db2.gz LVPWLMNJEOBMHE-ALCCZGGFSA-N -1 1 285.255 2.902 20 30 CFEDMM CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000901309011 620782132 /nfs/dbraw/zinc/78/21/32/620782132.db2.gz YOQGKKHDANCVKB-RKDXNWHRSA-N -1 1 298.333 2.940 20 30 CFEDMM O=C1c2ccccc2C(=O)C1=Cc1ccc([O-])c(F)c1 ZINC000179319215 618259512 /nfs/dbraw/zinc/25/95/12/618259512.db2.gz YOPNMLNTNRHXID-UHFFFAOYSA-N -1 1 268.243 2.994 20 30 CFEDMM CC[C@@H](OC)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370036 620797023 /nfs/dbraw/zinc/79/70/23/620797023.db2.gz PCUQZKNUVXKDBA-OAHLLOKOSA-N -1 1 273.332 2.983 20 30 CFEDMM CCCc1cc(=O)[n-]c(SCc2cc(C#N)ccn2)n1 ZINC000901381594 620799731 /nfs/dbraw/zinc/79/97/31/620799731.db2.gz PCWQZOYGOUFCSN-UHFFFAOYSA-N -1 1 286.360 2.694 20 30 CFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccoc1 ZINC000113141323 620243104 /nfs/dbraw/zinc/24/31/04/620243104.db2.gz ODKKZAAQJINOBX-GFCCVEGCSA-N -1 1 298.298 2.639 20 30 CFEDMM C=CCC(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898096135 620338022 /nfs/dbraw/zinc/33/80/22/620338022.db2.gz PBYQASUGWXOMEP-UHFFFAOYSA-N -1 1 293.367 2.906 20 30 CFEDMM Cn1nc2c(c1/C=C/C(=O)c1ccc([O-])cc1)CCC2 ZINC000899332537 620546393 /nfs/dbraw/zinc/54/63/93/620546393.db2.gz IPJCBLLBSBLUON-MDZDMXLPSA-N -1 1 268.316 2.511 20 30 CFEDMM CC(C)(C)n1cc(/C=C\C(=O)c2cc([O-])cc(F)c2)nn1 ZINC000899411571 620565156 /nfs/dbraw/zinc/56/51/56/620565156.db2.gz BZEOKDJSRHLZLF-PLNGDYQASA-N -1 1 289.310 2.774 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N(CC(F)F)C2CCC2)c1 ZINC000899784596 620599419 /nfs/dbraw/zinc/59/94/19/620599419.db2.gz APELKNXNAUJWLF-UHFFFAOYSA-N -1 1 280.274 2.524 20 30 CFEDMM C=CCC[C@H](NCc1ccc(SC)o1)C(=O)[O-] ZINC000901690620 620895765 /nfs/dbraw/zinc/89/57/65/620895765.db2.gz QTYFCQBLKSFHMK-JTQLQIEISA-N -1 1 255.339 2.511 20 30 CFEDMM C=CCOC[C@@H](NCc1csc2ccccc12)C(=O)[O-] ZINC000901808882 620921217 /nfs/dbraw/zinc/92/12/17/620921217.db2.gz MAUNRJAVTVLWFB-CYBMUJFWSA-N -1 1 291.372 2.647 20 30 CFEDMM C=CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])no1 ZINC000902179388 620990063 /nfs/dbraw/zinc/99/00/63/620990063.db2.gz SYJBHQWDAHRHEQ-UHFFFAOYSA-N -1 1 286.331 2.604 20 30 CFEDMM CO[C@@](C)(C(=O)N([O-])Cc1ccccc1Cl)C1CC1 ZINC000904192782 621546728 /nfs/dbraw/zinc/54/67/28/621546728.db2.gz CASBMHWTLZJMGD-CQSZACIVSA-N -1 1 283.755 2.873 20 30 CFEDMM C=C(Br)CN[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000905394284 621766158 /nfs/dbraw/zinc/76/61/58/621766158.db2.gz IAVHKVGKSGGEQU-LBPRGKRZSA-N -1 1 298.180 2.927 20 30 CFEDMM C=CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000908462821 622232671 /nfs/dbraw/zinc/23/26/71/622232671.db2.gz YANDGPOKJUCMOG-UHFFFAOYSA-N -1 1 295.191 2.631 20 30 CFEDMM N#CCCCC(=O)Nc1cccc([O-])c1Br ZINC000908708556 622267077 /nfs/dbraw/zinc/26/70/77/622267077.db2.gz YHBXWWVYMKWTKS-UHFFFAOYSA-N -1 1 283.125 2.787 20 30 CFEDMM CC(C)(C#N)C(=O)Nc1cccc([O-])c1Br ZINC000908713813 622267468 /nfs/dbraw/zinc/26/74/68/622267468.db2.gz CCIKNIUBVWAKJT-UHFFFAOYSA-N -1 1 283.125 2.643 20 30 CFEDMM C=CCOCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909982974 622381285 /nfs/dbraw/zinc/38/12/85/622381285.db2.gz ORURBPFZMZFEAI-UHFFFAOYSA-N -1 1 271.263 2.592 20 30 CFEDMM C=C(C)[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986311 622495356 /nfs/dbraw/zinc/49/53/56/622495356.db2.gz KEHWVRSRPQMBDB-HZMBPMFUSA-N -1 1 297.301 2.980 20 30 CFEDMM C=C(C)CO[N-]C(=O)Cc1sc(C2CCC2)nc1C ZINC000911901736 622567327 /nfs/dbraw/zinc/56/73/27/622567327.db2.gz MWYYWTQRHJRAIC-UHFFFAOYSA-N -1 1 280.393 2.885 20 30 CFEDMM Cc1cccn2c(/C=C/C(=O)c3cc(O)ccc3[O-])cnc12 ZINC000156643026 622952353 /nfs/dbraw/zinc/95/23/53/622952353.db2.gz LARGMJYWJSXURX-GQCTYLIASA-N -1 1 294.310 2.950 20 30 CFEDMM C=CCN(CC(=O)[O-])Cc1cccc(Cl)c1F ZINC000167049408 623043386 /nfs/dbraw/zinc/04/33/86/623043386.db2.gz FQZJGEKMWADZCV-UHFFFAOYSA-N -1 1 257.692 2.552 20 30 CFEDMM CC(C)CN(CCC#N)C(=O)c1ncc2ccccc2c1[O-] ZINC000824234049 623473210 /nfs/dbraw/zinc/47/32/10/623473210.db2.gz BZBXMUYACJSKTB-UHFFFAOYSA-N -1 1 297.358 2.952 20 30 CFEDMM C=CC[N@H+](C/C=C(/C)C(=O)[O-])Cc1cccs1 ZINC000825682298 623738780 /nfs/dbraw/zinc/73/87/80/623738780.db2.gz WQYFITMTOSWHBD-WDZFZDKYSA-N -1 1 251.351 2.767 20 30 CFEDMM C=CCN(C/C=C(/C)C(=O)[O-])Cc1cccs1 ZINC000825682298 623738783 /nfs/dbraw/zinc/73/87/83/623738783.db2.gz WQYFITMTOSWHBD-WDZFZDKYSA-N -1 1 251.351 2.767 20 30 CFEDMM C=CCO[N-]C(=O)[C@H](C)c1ccc(Br)cc1 ZINC000837045768 624080616 /nfs/dbraw/zinc/08/06/16/624080616.db2.gz ABTUHCYAGULIQX-SECBINFHSA-N -1 1 284.153 2.786 20 30 CFEDMM C=CCOc1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000214313227 624325510 /nfs/dbraw/zinc/32/55/10/624325510.db2.gz ZLITVODRAJDWIP-DHZHZOJOSA-N -1 1 261.302 2.575 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2c[nH]c3cccc(C)c23)n1 ZINC000920359289 624714734 /nfs/dbraw/zinc/71/47/34/624714734.db2.gz KDCNMQVMEADNDK-UHFFFAOYSA-N -1 1 281.319 2.726 20 30 CFEDMM CC(C)C1N=NC(=S)N1N=Cc1ccc([O-])c(Cl)c1 ZINC000921256827 624826705 /nfs/dbraw/zinc/82/67/05/624826705.db2.gz ZWEYQHLVAPJQFK-UHFFFAOYSA-N -1 1 296.783 2.931 20 30 CFEDMM O=c1[nH]ncc(NN=Cc2ccc([O-])c(Cl)c2)c1Cl ZINC000921259097 624831447 /nfs/dbraw/zinc/83/14/47/624831447.db2.gz WIDCCGPDILCTAK-UHFFFAOYSA-N -1 1 299.117 2.641 20 30 CFEDMM CN(Cc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccccc1F ZINC000830811193 624882585 /nfs/dbraw/zinc/88/25/85/624882585.db2.gz RRUIZELQFMXKNO-INIZCTEOSA-N -1 1 298.317 2.955 20 30 CFEDMM CC(C)(C)C#CC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834822439 625881712 /nfs/dbraw/zinc/88/17/12/625881712.db2.gz NZPHNKQISJNIBK-UHFFFAOYSA-N -1 1 265.740 2.711 20 30 CFEDMM CC(=NN[C@H]1CCOC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000835017699 625963258 /nfs/dbraw/zinc/96/32/58/625963258.db2.gz RANUPXLGVPJXLG-LBPRGKRZSA-N -1 1 284.306 2.552 20 30 CFEDMM C#CCC1([N-]S(=O)(=O)c2sccc2Cl)CCC1 ZINC000922045619 626200780 /nfs/dbraw/zinc/20/07/80/626200780.db2.gz GKWSOSXNYUSPQY-UHFFFAOYSA-N -1 1 289.809 2.626 20 30 CFEDMM CCCCCCCCCCN1CCO[C@@H](C(=O)[O-])C1 ZINC000103502281 626547446 /nfs/dbraw/zinc/54/74/46/626547446.db2.gz PMXJATOMQDUMEM-CQSZACIVSA-N -1 1 271.401 2.913 20 30 CFEDMM CC(=NNc1cc(C)nc(C)n1)c1ccccc1C(=O)[O-] ZINC000757461828 626552679 /nfs/dbraw/zinc/55/26/79/626552679.db2.gz RMQRLRNEKVMJEY-UHFFFAOYSA-N -1 1 284.319 2.628 20 30 CFEDMM Cc1ncccc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757471394 626553033 /nfs/dbraw/zinc/55/30/33/626553033.db2.gz BODGOLXECCGDLN-GQCTYLIASA-N -1 1 283.283 2.690 20 30 CFEDMM CCCCNN=Cc1cc(O)c([O-])c(Br)c1 ZINC000757578045 626555714 /nfs/dbraw/zinc/55/57/14/626555714.db2.gz KIBSTPDFNCDXNE-UHFFFAOYSA-N -1 1 287.157 2.584 20 30 CFEDMM CC(=NNc1cnn(C)c1)c1ccc([O-])c(Cl)c1 ZINC000761886229 626869858 /nfs/dbraw/zinc/86/98/58/626869858.db2.gz XDCOMSGIGZHXSX-UHFFFAOYSA-N -1 1 264.716 2.615 20 30 CFEDMM Cc1ccc(N=NC(C)c2cccc(C(=O)[O-])c2)nc1 ZINC000764690650 627084430 /nfs/dbraw/zinc/08/44/30/627084430.db2.gz PNOVSFXAYJIFIR-UHFFFAOYSA-N -1 1 269.304 2.924 20 30 CFEDMM N#CC1([N-]C(=O)C(F)(F)c2ccccc2F)CCCC1 ZINC000765783157 627158029 /nfs/dbraw/zinc/15/80/29/627158029.db2.gz PLSWSPIJXPUUDH-UHFFFAOYSA-N -1 1 282.265 2.870 20 30 CFEDMM CC(C)[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765791968 627158130 /nfs/dbraw/zinc/15/81/30/627158130.db2.gz MLHPCDKXURBDDG-NSHDSACASA-N -1 1 270.254 2.582 20 30 CFEDMM COC(=O)c1coc(C(=O)/C=C\c2ccc([O-])c(F)c2)c1 ZINC000766501338 627206457 /nfs/dbraw/zinc/20/64/57/627206457.db2.gz FLXSTQPPTRUFHJ-HYXAFXHYSA-N -1 1 290.246 2.807 20 30 CFEDMM N#Cc1cccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000769048954 627399144 /nfs/dbraw/zinc/39/91/44/627399144.db2.gz UGSPHIPFNLMSMX-UHFFFAOYSA-N -1 1 298.254 2.529 20 30 CFEDMM C#C[C@H](CC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000770380179 627517162 /nfs/dbraw/zinc/51/71/62/627517162.db2.gz YBKFBMYSCHETQO-MRVPVSSYSA-N -1 1 292.187 2.684 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cscc2Cl)c(=O)o1 ZINC000771845249 627636608 /nfs/dbraw/zinc/63/66/08/627636608.db2.gz JSXPSJSUTGABHE-JDGPPOGSSA-N -1 1 296.731 2.630 20 30 CFEDMM C=C(Br)COC(=O)c1ccc([O-])cc1F ZINC000773566316 627837905 /nfs/dbraw/zinc/83/79/05/627837905.db2.gz MQEDWSSDGJNDEN-UHFFFAOYSA-N -1 1 275.073 2.597 20 30 CFEDMM C#CCOc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000775950610 628088126 /nfs/dbraw/zinc/08/81/26/628088126.db2.gz QOXXHVZHVBZBML-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM COC(=O)c1ccccc1NN=Cc1cccc(F)c1[O-] ZINC000776187798 628113401 /nfs/dbraw/zinc/11/34/01/628113401.db2.gz ZCUTWTOMECJCIB-UHFFFAOYSA-N -1 1 288.278 2.764 20 30 CFEDMM C#CCOc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000776649793 628166497 /nfs/dbraw/zinc/16/64/97/628166497.db2.gz MQJJKVDAHUCRIX-UHFFFAOYSA-N -1 1 292.294 2.528 20 30 CFEDMM Nc1nc(Cl)cc(N=NCc2cccc(Cl)c2[O-])n1 ZINC000778544458 628314233 /nfs/dbraw/zinc/31/42/33/628314233.db2.gz WVRRBNRCACFIGK-UHFFFAOYSA-N -1 1 298.133 2.517 20 30 CFEDMM Nc1nc(Cl)cc(NN=Cc2cccc(Cl)c2[O-])n1 ZINC000778544458 628314236 /nfs/dbraw/zinc/31/42/36/628314236.db2.gz WVRRBNRCACFIGK-UHFFFAOYSA-N -1 1 298.133 2.517 20 30 CFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ocnc2C)cc1 ZINC000779455997 628383552 /nfs/dbraw/zinc/38/35/52/628383552.db2.gz BBJFPNIVIMNHLV-CYBMUJFWSA-N -1 1 297.314 2.507 20 30 CFEDMM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)no1 ZINC000785403989 628880424 /nfs/dbraw/zinc/88/04/24/628880424.db2.gz OGJHIFIBCYTSCU-AWEZNQCLSA-N -1 1 297.314 2.538 20 30 CFEDMM Cc1ccc(NN=Cc2c([O-])ccc(Cl)c2F)nn1 ZINC000790161537 629214817 /nfs/dbraw/zinc/21/48/17/629214817.db2.gz IEKUWUCYCJRRDG-UHFFFAOYSA-N -1 1 280.690 2.729 20 30 CFEDMM CC(C)OCCNN=Cc1c([O-])ccc(Cl)c1F ZINC000790173039 629215836 /nfs/dbraw/zinc/21/58/36/629215836.db2.gz CNBLCECHHXMMJA-UHFFFAOYSA-N -1 1 274.723 2.533 20 30 CFEDMM [O-]c1c(Cl)cccc1CN=Nc1nc2ccccn2n1 ZINC000790194346 629218557 /nfs/dbraw/zinc/21/85/57/629218557.db2.gz ZHXMGKUGXGSOFB-UHFFFAOYSA-N -1 1 287.710 2.534 20 30 CFEDMM COc1c([O-])c(C=NN[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000793112290 629488545 /nfs/dbraw/zinc/48/85/45/629488545.db2.gz RRWIUSVJDGFAKQ-SECBINFHSA-N -1 1 295.339 2.667 20 30 CFEDMM COC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)[n-]1 ZINC000796369497 629909710 /nfs/dbraw/zinc/90/97/10/629909710.db2.gz ORLOYYUFTLHLIB-JTQLQIEISA-N -1 1 298.298 2.591 20 30 CFEDMM C#CCCCCCCOC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000835714221 629976929 /nfs/dbraw/zinc/97/69/29/629976929.db2.gz YMQVSMPHLOWEJX-UHFFFAOYSA-N -1 1 277.320 2.542 20 30 CFEDMM C=C[C@](C)(CC)COC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000797142008 630026038 /nfs/dbraw/zinc/02/60/38/630026038.db2.gz MFXIXOIHEKTCIE-CQSZACIVSA-N -1 1 265.309 2.560 20 30 CFEDMM C=CCCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801373177 630442968 /nfs/dbraw/zinc/44/29/68/630442968.db2.gz SLNRLABYVXPKKT-UHFFFAOYSA-N -1 1 292.722 2.964 20 30 CFEDMM CC(C)c1cccc(-n2cc([O-])c(C(=O)O[C@@H](C)C#N)n2)c1 ZINC000801410276 630445569 /nfs/dbraw/zinc/44/55/69/630445569.db2.gz BMXCGNFZWJIPEG-NSHDSACASA-N -1 1 299.330 2.770 20 30 CFEDMM C=C(C)CCOC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000803487515 630622338 /nfs/dbraw/zinc/62/23/38/630622338.db2.gz HPNGLDMNMYNFQF-UHFFFAOYSA-N -1 1 290.294 2.840 20 30 CFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000041637318 649991874 /nfs/dbraw/zinc/99/18/74/649991874.db2.gz APOUTNPBRYBABM-UHFFFAOYSA-N -1 1 289.331 2.916 20 30 CFEDMM [O-]c1c(O)cc(C=NOC2CCC2)cc1Br ZINC000812235123 631673878 /nfs/dbraw/zinc/67/38/78/631673878.db2.gz MGRYXHMDYASCQO-UHFFFAOYSA-N -1 1 286.125 2.763 20 30 CFEDMM Cn1cc(/C=C\C(=O)c2ccc([O-])cc2)c(C(F)F)n1 ZINC000812240938 631678262 /nfs/dbraw/zinc/67/82/62/631678262.db2.gz XKZQIYKCUGLAJN-DAXSKMNVSA-N -1 1 278.258 2.959 20 30 CFEDMM C#C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000812353630 631695519 /nfs/dbraw/zinc/69/55/19/631695519.db2.gz VFDBFPNELLKMPI-AWEZNQCLSA-N -1 1 286.718 2.545 20 30 CFEDMM Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccc([O-])cc1 ZINC000812487241 631724970 /nfs/dbraw/zinc/72/49/70/631724970.db2.gz YRPIAWQAUBHOCI-FPLPWBNLSA-N -1 1 276.723 2.984 20 30 CFEDMM Cc1nn(C)c(Cl)c1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000812495605 631726876 /nfs/dbraw/zinc/72/68/76/631726876.db2.gz MHGZVEKNTQQDDZ-SDQBBNPISA-N -1 1 290.706 2.704 20 30 CFEDMM N#CC(=C([O-])C1=CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813211392 631881596 /nfs/dbraw/zinc/88/15/96/631881596.db2.gz JMDACNCSXIDNGK-NSHDSACASA-N -1 1 296.248 2.623 20 30 CFEDMM C#CC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000843681340 632024511 /nfs/dbraw/zinc/02/45/11/632024511.db2.gz JZJQKIOOLGBNGQ-NSHDSACASA-N -1 1 277.751 2.921 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CC[C@H]3CNc4cccc2c43)n1 ZINC000814681940 632107570 /nfs/dbraw/zinc/10/75/70/632107570.db2.gz BUEMUICXPQKNBA-JTQLQIEISA-N -1 1 295.346 2.610 20 30 CFEDMM C=CCCC(CCC)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000814848456 632137821 /nfs/dbraw/zinc/13/78/21/632137821.db2.gz URSYPAXLDUQAKP-UHFFFAOYSA-N -1 1 288.355 2.603 20 30 CFEDMM [O-]c1cccc(C=NNc2ccncc2Cl)c1Cl ZINC000814870053 632143596 /nfs/dbraw/zinc/14/35/96/632143596.db2.gz LXRSHGMAKYFLAR-UHFFFAOYSA-N -1 1 282.130 2.962 20 30 CFEDMM [O-]c1cc(F)c(Cl)cc1C=NNC[C@H]1CCSC1 ZINC000814935098 632172858 /nfs/dbraw/zinc/17/28/58/632172858.db2.gz HQCSWEHYTZXHNN-MRVPVSSYSA-N -1 1 288.775 2.861 20 30 CFEDMM COCCON=C(C)c1ccc([O-])c(Br)c1 ZINC000844584214 632254495 /nfs/dbraw/zinc/25/44/95/632254495.db2.gz QNMLCHARIXDURB-UHFFFAOYSA-N -1 1 288.141 2.542 20 30 CFEDMM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)o1 ZINC000815907733 632332534 /nfs/dbraw/zinc/33/25/34/632332534.db2.gz IYVPHNBNKBFEBO-GFCCVEGCSA-N -1 1 297.314 2.507 20 30 CFEDMM C=CCN(CCC#N)C(=O)c1c([O-])cccc1Cl ZINC000816803039 632524440 /nfs/dbraw/zinc/52/44/40/632524440.db2.gz JKMFLLCQMVLPTJ-UHFFFAOYSA-N -1 1 264.712 2.587 20 30 CFEDMM C=C(Cl)CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000846289278 632684877 /nfs/dbraw/zinc/68/48/77/632684877.db2.gz QNJGYWDMVFNANS-CHWSQXEVSA-N -1 1 265.740 2.539 20 30 CFEDMM C=C(C)CO[N-]C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000846539859 632728833 /nfs/dbraw/zinc/72/88/33/632728833.db2.gz GWJXKDYNHHITQN-UHFFFAOYSA-N -1 1 299.374 2.656 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)C1(Cc2ccccc2)CCOCC1 ZINC000846553620 632740722 /nfs/dbraw/zinc/74/07/22/632740722.db2.gz CTWFMSSBVAITKH-AWEZNQCLSA-N -1 1 289.375 2.648 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1c(C)nc([C@H](C)CC)nc1C ZINC000848245697 633222767 /nfs/dbraw/zinc/22/27/67/633222767.db2.gz NKZZWSSJXLLTBE-GHMZBOCLSA-N -1 1 291.395 2.772 20 30 CFEDMM C#C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000848924095 633405846 /nfs/dbraw/zinc/40/58/46/633405846.db2.gz NLEYKYNXRANKDL-LLVKDONJSA-N -1 1 294.192 3.000 20 30 CFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccccc2)c1 ZINC000108113352 633459634 /nfs/dbraw/zinc/45/96/34/633459634.db2.gz GIUGEYJJYYXIFU-VURMDHGXSA-N -1 1 268.268 2.987 20 30 CFEDMM C#CCOc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000108183667 633482210 /nfs/dbraw/zinc/48/22/10/633482210.db2.gz QOIMHFHTOLMHLO-UHFFFAOYSA-N -1 1 297.310 2.665 20 30 CFEDMM N#CCC1(COC(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000849718039 633687320 /nfs/dbraw/zinc/68/73/20/633687320.db2.gz IAUSFIUATZUXOF-UHFFFAOYSA-N -1 1 267.231 2.521 20 30 CFEDMM C=CCCONC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000856034087 635708678 /nfs/dbraw/zinc/70/86/78/635708678.db2.gz GEOUQLKKMKMVPG-UHFFFAOYSA-N -1 1 275.226 2.649 20 30 CFEDMM C=CCCO[N-]C(=O)Cc1sccc1Br ZINC000856035792 635709682 /nfs/dbraw/zinc/70/96/82/635709682.db2.gz JKPVRDYPMINGFN-UHFFFAOYSA-N -1 1 290.182 2.677 20 30 CFEDMM C=C[C@](C)(CC)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000194580869 636790720 /nfs/dbraw/zinc/79/07/20/636790720.db2.gz QTVRJCKVUFAUQI-GFCCVEGCSA-N -1 1 254.717 2.981 20 30 CFEDMM CCc1nocc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000860467500 636892787 /nfs/dbraw/zinc/89/27/87/636892787.db2.gz CGJSAZRAJJXMNN-GFCCVEGCSA-N -1 1 297.314 2.507 20 30 CFEDMM Cn1nc2c(c1/C=C1/Oc3cc([O-])ccc3C1=O)CCCC2 ZINC000865217154 638225775 /nfs/dbraw/zinc/22/57/75/638225775.db2.gz KOGPGTGTQGWPKL-CXUHLZMHSA-N -1 1 296.326 2.621 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2cn(C3CC3)cn2)c1 ZINC000865221409 638227749 /nfs/dbraw/zinc/22/77/49/638227749.db2.gz YAGDHIWHRORHRT-QHHAFSJGSA-N -1 1 284.315 2.828 20 30 CFEDMM N#CC1(COC(=O)Cc2ccc([O-])c(Cl)c2)CCC1 ZINC000869734931 639374809 /nfs/dbraw/zinc/37/48/09/639374809.db2.gz MTXKMNAKONJFFD-UHFFFAOYSA-N -1 1 279.723 2.825 20 30 CFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nocc2C)cc1 ZINC000870139840 639529418 /nfs/dbraw/zinc/52/94/18/639529418.db2.gz RMKSRHKKRHEJOU-CYBMUJFWSA-N -1 1 297.314 2.507 20 30 CFEDMM C[C@H]1CCCC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690442 639773846 /nfs/dbraw/zinc/77/38/46/639773846.db2.gz OSYGCTFOXZHRHL-SMDDNHRTSA-N -1 1 258.321 2.795 20 30 CFEDMM C#CCn1[n-]c(-c2cccc(C(F)(F)F)c2)c(CC)c1=O ZINC000871960766 641532209 /nfs/dbraw/zinc/53/22/09/641532209.db2.gz IBUZEJXVYQQHAX-LBPRGKRZSA-N -1 1 294.276 2.911 20 30 CFEDMM CCC(C#N)(CC)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886270064 646943447 /nfs/dbraw/zinc/94/34/47/646943447.db2.gz QNZIAMOHOWZHFT-UHFFFAOYSA-N -1 1 296.317 2.659 20 30 CFEDMM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc(C#N)o1 ZINC000928784841 648953504 /nfs/dbraw/zinc/95/35/04/648953504.db2.gz PPSRNGRMTWPMEV-UHFFFAOYSA-N -1 1 259.265 2.823 20 30 CFEDMM N#CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000928813308 648959157 /nfs/dbraw/zinc/95/91/57/648959157.db2.gz IRUUHOXSSGRRCE-VIFPVBQESA-N -1 1 292.644 2.620 20 30 CFEDMM CCN(C[C@@H](C)C#N)C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000929429586 649048098 /nfs/dbraw/zinc/04/80/98/649048098.db2.gz NZASKSHWGSXINL-QWHCGFSZSA-N -1 1 274.364 2.693 20 30 CFEDMM CCN(C[C@H](C)C#N)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000929429585 649048266 /nfs/dbraw/zinc/04/82/66/649048266.db2.gz NZASKSHWGSXINL-OLZOCXBDSA-N -1 1 274.364 2.693 20 30 CFEDMM CC[C@H](C#N)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000931330551 649410561 /nfs/dbraw/zinc/41/05/61/649410561.db2.gz IYDOWDXVEBSALJ-SECBINFHSA-N -1 1 287.697 2.554 20 30 CFEDMM N#Cc1cc(-c2cc(F)cc(F)c2[O-])cnc1F ZINC001243503258 782238879 /nfs/dbraw/zinc/23/88/79/782238879.db2.gz FILCKANDXXBUQS-UHFFFAOYSA-N -1 1 250.179 2.743 20 30 CFEDMM C#C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000692300611 770480447 /nfs/dbraw/zinc/48/04/47/770480447.db2.gz LFVQYWCKLJXCPG-SNVBAGLBSA-N -1 1 263.724 2.531 20 30 CFEDMM Cc1c(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cnn1C ZINC000588397297 770508722 /nfs/dbraw/zinc/50/87/22/770508722.db2.gz ODIHWYCNTKYVQD-HYXAFXHYSA-N -1 1 276.723 2.984 20 30 CFEDMM C#C[C@@H](Oc1cc([O-])ccc1C(C)=O)c1ccncc1 ZINC001225619822 775527489 /nfs/dbraw/zinc/52/74/89/775527489.db2.gz XIRBJJGZXWGXAY-OAHLLOKOSA-N -1 1 267.284 2.743 20 30 CFEDMM C=C[C@@]1(C)CC[C@H](Oc2cc(=O)[n-]c(=S)[nH]2)C(C)(C)O1 ZINC001225765976 775586920 /nfs/dbraw/zinc/58/69/20/775586920.db2.gz PEKPPARTVDDCEE-XPTSAGLGSA-N -1 1 296.392 2.752 20 30 CFEDMM C=C[C@H](CCCCC)Oc1nc(=O)[n-]cc1C(=O)OCC ZINC001225900036 775628111 /nfs/dbraw/zinc/62/81/11/775628111.db2.gz XLNPINYMOJZXER-LLVKDONJSA-N -1 1 294.351 2.873 20 30 CFEDMM C=CC[C@H](CCC)Oc1[n-]c(=S)ncc1OC ZINC001226242471 775750872 /nfs/dbraw/zinc/75/08/72/775750872.db2.gz NWKOWYJVAFMGQY-SECBINFHSA-N -1 1 254.355 2.898 20 30 CFEDMM COc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1C#N ZINC001226246841 775754171 /nfs/dbraw/zinc/75/41/71/775754171.db2.gz RVLWEAKFMAOTSK-VIFPVBQESA-N -1 1 287.344 2.786 20 30 CFEDMM C[C@@H](Oc1nccc(/C=N/[O-])n1)c1ccc(F)c(F)c1 ZINC001226256920 775757146 /nfs/dbraw/zinc/75/71/46/775757146.db2.gz XANZNFDLLJMXQX-RAKXPMKDSA-N -1 1 279.246 2.703 20 30 CFEDMM CC#C[C@@H](CC)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487604 775843905 /nfs/dbraw/zinc/84/39/05/775843905.db2.gz ZEUFIXPLBMKWDZ-GFCCVEGCSA-N -1 1 272.300 2.988 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCOC[C@@H]1F ZINC001227123512 776107990 /nfs/dbraw/zinc/10/79/90/776107990.db2.gz XVAWPQZNSRHKSO-DZGCQCFKSA-N -1 1 294.322 2.829 20 30 CFEDMM C=C[C@H](CCC)Oc1[n-]c(=O)ncc1Br ZINC001227138161 776111014 /nfs/dbraw/zinc/11/10/14/776111014.db2.gz NVMBFEMMVUHFMI-SSDOTTSWSA-N -1 1 273.130 2.678 20 30 CFEDMM N#Cc1c([O-])ccc(O[C@H]2CCCc3cccnc32)c1C#N ZINC001227614960 776243760 /nfs/dbraw/zinc/24/37/60/776243760.db2.gz NVWJUOQCWSHWGC-INIZCTEOSA-N -1 1 291.310 2.987 20 30 CFEDMM COC(C)(C)C[C@H](C)Oc1ccc([O-])c(C#N)c1C#N ZINC001227621369 776247021 /nfs/dbraw/zinc/24/70/21/776247021.db2.gz DEIOTZDXVCGGCC-JTQLQIEISA-N -1 1 274.320 2.718 20 30 CFEDMM C=CC[C@H](Oc1[n-]c(=O)nc2c1COC2)c1ccccc1 ZINC001227686271 776255554 /nfs/dbraw/zinc/25/55/54/776255554.db2.gz KWMNOVWCBLZNKF-AWEZNQCLSA-N -1 1 284.315 2.909 20 30 CFEDMM COC(=O)[C@@H](Oc1cc([O-])ccc1C#N)c1ccccc1 ZINC001228006243 776359329 /nfs/dbraw/zinc/35/93/29/776359329.db2.gz YRVCFJDGPGEAHR-HNNXBMFYSA-N -1 1 283.283 2.557 20 30 CFEDMM CC1(C)C(=O)CCC[C@@H]1Oc1cc([O-])ccc1C#N ZINC001228006558 776359491 /nfs/dbraw/zinc/35/94/91/776359491.db2.gz CXQKHRMKFOXMRP-AWEZNQCLSA-N -1 1 259.305 2.790 20 30 CFEDMM CCOC(=O)[C@H]1CC[C@H](Oc2cc([O-])ccc2C#N)CC1 ZINC001228008233 776362007 /nfs/dbraw/zinc/36/20/07/776362007.db2.gz WLJRXYFRNPXIFH-YEORSEQZSA-N -1 1 289.331 2.765 20 30 CFEDMM CCC[C@H](C#Cc1ccccc1)Oc1cnnc(=S)[n-]1 ZINC001228636709 776547627 /nfs/dbraw/zinc/54/76/27/776547627.db2.gz QKCMGPAABYKXMP-CYBMUJFWSA-N -1 1 285.372 2.760 20 30 CFEDMM C=C[C@H](Oc1cc([O-])c(Cl)cc1Cl)C(=O)OC ZINC001229406474 776802402 /nfs/dbraw/zinc/80/24/02/776802402.db2.gz WDCNDNDNSFHCGU-VIFPVBQESA-N -1 1 277.103 2.805 20 30 CFEDMM C=C1O[C@@H](CC)C(=O)C1Oc1cc([O-])ccc1C(=O)CC ZINC001229477898 776824766 /nfs/dbraw/zinc/82/47/66/776824766.db2.gz QXMRTRBKADIBEE-ZDUSSCGKSA-N -1 1 290.315 2.973 20 30 CFEDMM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1ccccc1/C(C)=N/[O-] ZINC001229736724 776883687 /nfs/dbraw/zinc/88/36/87/776883687.db2.gz IOWJTWMUWMSZKH-AUUGRSLUSA-N -1 1 291.347 2.995 20 30 CFEDMM C=C(C)C(=O)OC[C@@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229737360 776883723 /nfs/dbraw/zinc/88/37/23/776883723.db2.gz VWIUJPQCYQDFJH-VFJWTBQQSA-N -1 1 277.320 2.771 20 30 CFEDMM C=C1O[C@H](CC)C(=O)C1Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229755507 776889310 /nfs/dbraw/zinc/88/93/10/776889310.db2.gz XXNYZWQVBOPUBX-LLVKDONJSA-N -1 1 293.275 2.597 20 30 CFEDMM C=C[C@H](CCCCC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230280688 776970919 /nfs/dbraw/zinc/97/09/19/776970919.db2.gz YTEICVHGBZXAIS-SNVBAGLBSA-N -1 1 252.314 2.710 20 30 CFEDMM O=C1C=C2CN(Cc3ccc(Cl)c([O-])c3)CC[C@@H]2S1 ZINC001231731015 777315906 /nfs/dbraw/zinc/31/59/06/777315906.db2.gz IWSPICBJDDEXJK-ZDUSSCGKSA-N -1 1 295.791 2.820 20 30 CFEDMM N#C[C@@H]1CCCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231734035 777319083 /nfs/dbraw/zinc/31/90/83/777319083.db2.gz ONWVTFPRURVZQT-NSHDSACASA-N -1 1 250.729 2.781 20 30 CFEDMM N#C[C@H]1CN(Cc2ccc(Cl)c([O-])c2Cl)CCC1=O ZINC001232631614 777625836 /nfs/dbraw/zinc/62/58/36/777625836.db2.gz OHVUDXXAKVMFGC-VIFPVBQESA-N -1 1 299.157 2.614 20 30 CFEDMM N#CCC1CCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232935162 777726826 /nfs/dbraw/zinc/72/68/26/777726826.db2.gz OAKHPRGAQAVYJN-UHFFFAOYSA-N -1 1 266.291 2.796 20 30 CFEDMM CCCN(CCC#N)Cc1c([O-])ccc(F)c1F ZINC001233334692 777893493 /nfs/dbraw/zinc/89/34/93/777893493.db2.gz QAJUDDGPFBKFDH-UHFFFAOYSA-N -1 1 254.280 2.796 20 30 CFEDMM C[C@@]1(CF)CC(F)(F)CN1Cc1ccc(C#N)cc1[O-] ZINC001233383769 777926540 /nfs/dbraw/zinc/92/65/40/777926540.db2.gz VLKPRQNQJNLXCJ-ZDUSSCGKSA-N -1 1 284.281 2.833 20 30 CFEDMM C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(O)c2Cl)C1 ZINC001233401017 777938195 /nfs/dbraw/zinc/93/81/95/777938195.db2.gz IVUBGIXUZURCDD-LLVKDONJSA-N -1 1 279.767 2.899 20 30 CFEDMM C=CCC[C@H](CC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234606628 778264426 /nfs/dbraw/zinc/26/44/26/778264426.db2.gz HKOQVNWOTJYWIY-VIFPVBQESA-N -1 1 283.299 2.837 20 30 CFEDMM CCC[C@H](CC(=O)OC)Oc1ccccc1C=N[O-] ZINC001234819093 778301258 /nfs/dbraw/zinc/30/12/58/778301258.db2.gz HFFCSJPZEGOTRE-GFCCVEGCSA-N -1 1 265.309 2.605 20 30 CFEDMM CCOC(=O)[C@@H]1CC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234817818 778301590 /nfs/dbraw/zinc/30/15/90/778301590.db2.gz ABSHUVVCBZHEDY-DGCLKSJQSA-N -1 1 277.320 2.605 20 30 CFEDMM COC(=O)[C@H]1CCC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234819868 778302452 /nfs/dbraw/zinc/30/24/52/778302452.db2.gz PXMNJTCWNSFVHG-WCQYABFASA-N -1 1 277.320 2.605 20 30 CFEDMM Cc1c([C@@H](C)Oc2ccccc2C=N[O-])cnn1C ZINC001234820914 778302675 /nfs/dbraw/zinc/30/26/75/778302675.db2.gz AGLGQGZIGNTGJQ-LLVKDONJSA-N -1 1 259.309 2.677 20 30 CFEDMM C#C[C@H](Oc1nc2sccc2[n-]1)c1ccncc1 ZINC001234848216 778309003 /nfs/dbraw/zinc/30/90/03/778309003.db2.gz NVWILCOIRFCJAY-NSHDSACASA-N -1 1 255.302 2.773 20 30 CFEDMM C=C(C)C(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001142511728 778396596 /nfs/dbraw/zinc/39/65/96/778396596.db2.gz UDEDLDLWVDWZEU-UHFFFAOYSA-N -1 1 286.125 2.678 20 30 CFEDMM COc1ncc(-c2cc([O-])cc(Cl)c2)cc1C#N ZINC001235905479 778603770 /nfs/dbraw/zinc/60/37/70/778603770.db2.gz YKAIMVLWQPGSEY-UHFFFAOYSA-N -1 1 260.680 2.988 20 30 CFEDMM [O-]N=Cc1ccccc1-c1cnn(Cc2ccccn2)c1 ZINC001236437956 778830121 /nfs/dbraw/zinc/83/01/21/778830121.db2.gz PUNZPUFRPJHLMP-UHFFFAOYSA-N -1 1 278.315 2.802 20 30 CFEDMM [O-]N=Cc1ccccc1-c1cnn(Cc2ccncc2)c1 ZINC001239053707 779453844 /nfs/dbraw/zinc/45/38/44/779453844.db2.gz UIBHYWWWFQDXER-UHFFFAOYSA-N -1 1 278.315 2.802 20 30 CFEDMM O=C1COc2ccc(-c3cc(/C=N/[O-])ccc3F)cc2N1 ZINC001239101540 779461608 /nfs/dbraw/zinc/46/16/08/779461608.db2.gz BWXWSLLFWNRBJX-REZTVBANSA-N -1 1 286.262 2.632 20 30 CFEDMM CS(=O)(=O)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001239703060 779717942 /nfs/dbraw/zinc/71/79/42/779717942.db2.gz BBVPMUIBLDUNRT-UHFFFAOYSA-N -1 1 275.329 2.565 20 30 CFEDMM C#C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000692300575 779848762 /nfs/dbraw/zinc/84/87/62/779848762.db2.gz LAYCRHIWKGNDOA-SNVBAGLBSA-N -1 1 263.724 2.531 20 30 CFEDMM N#CCCN(Cc1cccnc1)Cc1c([O-])cccc1F ZINC001137831731 780862273 /nfs/dbraw/zinc/86/22/73/780862273.db2.gz LMPKDXFYKBEFJK-UHFFFAOYSA-N -1 1 285.322 2.842 20 30 CFEDMM COc1ccc(-c2ccc(/C=N/[O-])c(F)c2)c(OC)n1 ZINC001241578543 780994879 /nfs/dbraw/zinc/99/48/79/780994879.db2.gz IBBIJDJZHWUDSL-LZYBPNLTSA-N -1 1 276.267 2.713 20 30 CFEDMM COC(=O)c1nc2cc(-c3cnc(C#N)c(C)c3)ccc2[n-]1 ZINC001242356586 781431904 /nfs/dbraw/zinc/43/19/04/781431904.db2.gz GBVUZEYRTRNLOQ-UHFFFAOYSA-N -1 1 292.298 2.592 20 30 CFEDMM COC(=O)c1nc2ccc(-c3cnc(C#N)c(C)c3)cc2[n-]1 ZINC001242356586 781431909 /nfs/dbraw/zinc/43/19/09/781431909.db2.gz GBVUZEYRTRNLOQ-UHFFFAOYSA-N -1 1 292.298 2.592 20 30 CFEDMM CCOC(=O)c1cc(C)cc(-c2ccc([O-])c(C#N)c2)n1 ZINC001242562204 781599554 /nfs/dbraw/zinc/59/95/54/781599554.db2.gz LOPPTGVWURQTTC-UHFFFAOYSA-N -1 1 282.299 2.811 20 30 CFEDMM CCOC(=O)/C=C/c1ccc(-c2ccc([O-])c(C#N)c2)nc1 ZINC001242563084 781601530 /nfs/dbraw/zinc/60/15/30/781601530.db2.gz ASIXVJVAFPICLR-XBXARRHUSA-N -1 1 294.310 2.902 20 30 CFEDMM CSc1ncc(C)c(-c2ccc([O-])c(C#N)c2)n1 ZINC001242563059 781601630 /nfs/dbraw/zinc/60/16/30/781601630.db2.gz RJDGVNLHUAOYBH-UHFFFAOYSA-N -1 1 257.318 2.751 20 30 CFEDMM N#Cc1cc(-c2ncc(OCC3CC3)cn2)ccc1[O-] ZINC001242563076 781601762 /nfs/dbraw/zinc/60/17/62/781601762.db2.gz RODVUHRARDLJOF-UHFFFAOYSA-N -1 1 267.288 2.510 20 30 CFEDMM Cc1nc2c(c(-c3ccc([O-])c(C#N)c3)n1)CCCC2 ZINC001242563743 781602626 /nfs/dbraw/zinc/60/26/26/781602626.db2.gz KGPXKTIKGUSHNG-UHFFFAOYSA-N -1 1 265.316 2.908 20 30 CFEDMM CN(C)c1ncc2cc(-c3ccc([O-])c(C#N)c3)ccc2n1 ZINC001242564577 781603052 /nfs/dbraw/zinc/60/30/52/781603052.db2.gz HTAWVSCUIITJKY-UHFFFAOYSA-N -1 1 290.326 2.940 20 30 CFEDMM COC(=O)c1cccc(-c2ccc([O-])c(C#N)c2)c1OC ZINC001242564961 781603816 /nfs/dbraw/zinc/60/38/16/781603816.db2.gz CXPHEXBNWBCDJG-UHFFFAOYSA-N -1 1 283.283 2.726 20 30 CFEDMM C[S@](=N)(=O)c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242565433 781604763 /nfs/dbraw/zinc/60/47/63/781604763.db2.gz CSOQFYYNKALGRG-IBGZPJMESA-N -1 1 272.329 2.966 20 30 CFEDMM C[S@@](=N)(=O)c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242565434 781605278 /nfs/dbraw/zinc/60/52/78/781605278.db2.gz CSOQFYYNKALGRG-LJQANCHMSA-N -1 1 272.329 2.966 20 30 CFEDMM N#Cc1cc(-c2cccc3c2NC(=O)NC3)ccc1[O-] ZINC001242566479 781606074 /nfs/dbraw/zinc/60/60/74/781606074.db2.gz BHVYNGZGKPNXJY-UHFFFAOYSA-N -1 1 265.272 2.566 20 30 CFEDMM COc1c(C#N)c(F)ccc1-c1ccc([O-])c(C#N)c1 ZINC001242566347 781606393 /nfs/dbraw/zinc/60/63/93/781606393.db2.gz VARBSBDYTDWWPD-UHFFFAOYSA-N -1 1 268.247 2.950 20 30 CFEDMM COC(=O)c1cc(-c2ccc([O-])c(C#N)c2)ccc1C#N ZINC001242566680 781606962 /nfs/dbraw/zinc/60/69/62/781606962.db2.gz KLVZMIXXBPNQLP-UHFFFAOYSA-N -1 1 278.267 2.589 20 30 CFEDMM CCc1cc(=O)[n-]c(SCc2ccc(F)c(C#N)c2)n1 ZINC000191504389 529506824 /nfs/dbraw/zinc/50/68/24/529506824.db2.gz GFYTUHRJBXMMRZ-UHFFFAOYSA-N -1 1 289.335 2.635 20 30 CFEDMM CCc1nc(CNCc2cccc(C#N)c2)ccc1C(=O)[O-] ZINC000426652284 529740290 /nfs/dbraw/zinc/74/02/90/529740290.db2.gz RZVKOVNTUGLRCD-UHFFFAOYSA-N -1 1 295.342 2.504 20 30 CFEDMM C=CCCSCCN=c1nc(C(F)(F)F)[n-]s1 ZINC000596413120 349894661 /nfs/dbraw/zinc/89/46/61/349894661.db2.gz FFLGEMVTZZZOGO-UHFFFAOYSA-N -1 1 283.344 2.700 20 30 CFEDMM CC[C@@](C)(C#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000040357364 346346008 /nfs/dbraw/zinc/34/60/08/346346008.db2.gz GCQSOQMCBIOQGT-INIZCTEOSA-N -1 1 268.316 2.967 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2ccncc2[O-])cc1Cl ZINC000133576017 347893033 /nfs/dbraw/zinc/89/30/33/347893033.db2.gz IVXNUVGQBJGLLD-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM Cc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)c([O-])c1C ZINC000290465194 348352421 /nfs/dbraw/zinc/35/24/21/348352421.db2.gz LMROUUAPOUDZIW-UHFFFAOYSA-N -1 1 296.330 2.734 20 30 CFEDMM CC[C@H]1CCCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589168172 348815215 /nfs/dbraw/zinc/81/52/15/348815215.db2.gz WDXUODVBBHQPDH-SWLSCSKDSA-N -1 1 272.348 2.962 20 30 CFEDMM C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000589170912 348815363 /nfs/dbraw/zinc/81/53/63/348815363.db2.gz OPABYYKBGLXRGD-NSHDSACASA-N -1 1 298.317 2.936 20 30 CFEDMM CC(C)[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589170943 348815472 /nfs/dbraw/zinc/81/54/72/348815472.db2.gz UHKCXFJDNAFAJO-AWEZNQCLSA-N -1 1 258.321 2.524 20 30 CFEDMM C[C@H]1CCCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589180701 348816827 /nfs/dbraw/zinc/81/68/27/348816827.db2.gz FIQCSEDREGEKDH-NSHDSACASA-N -1 1 258.321 2.669 20 30 CFEDMM C[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)[C@H]1C ZINC000589183916 348816982 /nfs/dbraw/zinc/81/69/82/348816982.db2.gz QFIUIZHHHYQHPV-QWRGUYRKSA-N -1 1 258.321 2.524 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000589184168 348817422 /nfs/dbraw/zinc/81/74/22/348817422.db2.gz COJFTIYGZQEKQR-GZBFAFLISA-N -1 1 284.359 2.962 20 30 CFEDMM CS[C@@H]1CCCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589192533 348818314 /nfs/dbraw/zinc/81/83/14/348818314.db2.gz HHWCKXLDMXVSMH-CQSZACIVSA-N -1 1 290.388 2.622 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3cc(F)ccc3C2)c1 ZINC000589197559 348818774 /nfs/dbraw/zinc/81/87/74/348818774.db2.gz WYVBOQOHBOBVOC-UHFFFAOYSA-N -1 1 296.301 2.601 20 30 CFEDMM C=Cc1ccc(CCNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589722110 348853762 /nfs/dbraw/zinc/85/37/62/348853762.db2.gz WLMJRYGVKUTEID-UHFFFAOYSA-N -1 1 292.338 2.879 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC2CCCCCC2)c1 ZINC000590774421 348947539 /nfs/dbraw/zinc/94/75/39/348947539.db2.gz SKFAAXRFJUHUIM-UHFFFAOYSA-N -1 1 272.348 2.964 20 30 CFEDMM CC1(C)CCC[C@@H]1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000590528344 348907881 /nfs/dbraw/zinc/90/78/81/348907881.db2.gz JZBZCBBPZMMCAV-CYBMUJFWSA-N -1 1 272.348 2.820 20 30 CFEDMM CC[C@H]1CCC[C@@H]1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000590771218 348946317 /nfs/dbraw/zinc/94/63/17/348946317.db2.gz VPCJYPYWZIABJI-QWHCGFSZSA-N -1 1 272.348 2.820 20 30 CFEDMM CCN(Cc1occc1C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000591103086 348988028 /nfs/dbraw/zinc/98/80/28/348988028.db2.gz FELPJJYUGZROFU-UHFFFAOYSA-N -1 1 284.315 2.828 20 30 CFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)C1CC(C)(C)C1 ZINC000590920008 348967099 /nfs/dbraw/zinc/96/70/99/348967099.db2.gz BSIBYNXRQLCOKI-UHFFFAOYSA-N -1 1 258.321 2.524 20 30 CFEDMM N#CC1(CNC(=O)c2ncc3ccccc3c2[O-])CCCC1 ZINC000597809590 350138458 /nfs/dbraw/zinc/13/84/58/350138458.db2.gz YMYSHOXAXSGZEH-UHFFFAOYSA-N -1 1 295.342 2.754 20 30 CFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])cc(C#N)c1 ZINC000598422141 350267405 /nfs/dbraw/zinc/26/74/05/350267405.db2.gz WYELQGDSMRYMDI-OKILXGFUSA-N -1 1 268.316 2.587 20 30 CFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@H](C)C1(F)F ZINC000600184191 350533545 /nfs/dbraw/zinc/53/35/45/350533545.db2.gz NZMBCKHSGZCADS-NXEZZACHSA-N -1 1 294.301 2.627 20 30 CFEDMM C[C@H]1CC(F)(F)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000600445863 350556562 /nfs/dbraw/zinc/55/65/62/350556562.db2.gz CGTKCCKEVWOIRZ-VIFPVBQESA-N -1 1 280.274 2.524 20 30 CFEDMM CC(C)CN(C(=O)c1cc([O-])cc(C#N)c1)C(C)C ZINC000600826042 350618145 /nfs/dbraw/zinc/61/81/45/350618145.db2.gz LPTWORUYGLPIQQ-UHFFFAOYSA-N -1 1 260.337 2.770 20 30 CFEDMM C[C@]12CCCC[C@H]1CN2C(=O)c1cc([O-])cc(C#N)c1 ZINC000600762901 350607008 /nfs/dbraw/zinc/60/70/08/350607008.db2.gz XLXRTFURNUNPGG-BBRMVZONSA-N -1 1 270.332 2.669 20 30 CFEDMM N#CC1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCCC1 ZINC000601653883 350753414 /nfs/dbraw/zinc/75/34/14/350753414.db2.gz SNHXTYMEDLZBSH-UHFFFAOYSA-N -1 1 292.766 2.788 20 30 CFEDMM N#CC[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000601666706 350755463 /nfs/dbraw/zinc/75/54/63/350755463.db2.gz PXRXFISNHUGCCR-NSHDSACASA-N -1 1 292.766 2.740 20 30 CFEDMM N#CC[C@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000601666705 350755482 /nfs/dbraw/zinc/75/54/82/350755482.db2.gz PXRXFISNHUGCCR-LLVKDONJSA-N -1 1 292.766 2.740 20 30 CFEDMM C[C@H]1CCc2[n-]n(-c3ccc(C#N)c(Cl)c3)c(=O)c21 ZINC000601950044 350816868 /nfs/dbraw/zinc/81/68/68/350816868.db2.gz STYQMADGDXTOKZ-ISVAXAHUSA-N -1 1 273.723 2.960 20 30 CFEDMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@H]1CCC[C@@H]1C#N ZINC000601824745 350787788 /nfs/dbraw/zinc/78/77/88/350787788.db2.gz XTYFVYVVHZJTER-SKDRFNHKSA-N -1 1 278.739 2.810 20 30 CFEDMM CC(C)c1c(Cc2ccccc2)[n-]n(C[C@H](C)C#N)c1=O ZINC000601932800 350806143 /nfs/dbraw/zinc/80/61/43/350806143.db2.gz NQCJTWHUBNOAMD-CZUORRHYSA-N -1 1 283.375 2.859 20 30 CFEDMM N#Cc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1F ZINC000613503524 351971440 /nfs/dbraw/zinc/97/14/40/351971440.db2.gz CHUMUUSRVBZVPT-UHFFFAOYSA-N -1 1 274.226 2.794 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c1 ZINC000614299917 352077017 /nfs/dbraw/zinc/07/70/17/352077017.db2.gz JNTULSMUNCCGIC-SWLSCSKDSA-N -1 1 270.332 2.669 20 30 CFEDMM C[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614298029 352077173 /nfs/dbraw/zinc/07/71/73/352077173.db2.gz JHRRSQBJQIQZPW-LLVKDONJSA-N -1 1 258.321 2.526 20 30 CFEDMM COc1ccc(C)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614357386 352084110 /nfs/dbraw/zinc/08/41/10/352084110.db2.gz YTSXFUNCDXPJHO-UHFFFAOYSA-N -1 1 282.299 2.833 20 30 CFEDMM CCOc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614358681 352084376 /nfs/dbraw/zinc/08/43/76/352084376.db2.gz MQZFYJFMMSBQJU-UHFFFAOYSA-N -1 1 282.299 2.915 20 30 CFEDMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614715225 352114508 /nfs/dbraw/zinc/11/45/08/352114508.db2.gz YLRGKCUDVOPLTQ-XHDPSFHLSA-N -1 1 272.348 2.915 20 30 CFEDMM C=CCN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](C)COC ZINC000617576025 352593767 /nfs/dbraw/zinc/59/37/67/352593767.db2.gz KHBREBQSAQDJLP-JTQLQIEISA-N -1 1 283.755 2.709 20 30 CFEDMM C=CC[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000617781933 352645063 /nfs/dbraw/zinc/64/50/63/352645063.db2.gz VULPLULVZZNXAP-LLVKDONJSA-N -1 1 263.312 2.960 20 30 CFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)ccc([O-])c1F ZINC000620303848 353148712 /nfs/dbraw/zinc/14/87/12/353148712.db2.gz HAMZRTHWALEWAE-AOOOYVTPSA-N -1 1 279.286 2.994 20 30 CFEDMM C=CCCOCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000679645039 540130373 /nfs/dbraw/zinc/13/03/73/540130373.db2.gz UNMOXEHJEMKULF-UHFFFAOYSA-N -1 1 255.701 2.577 20 30 CFEDMM C=CCN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000632287073 355682611 /nfs/dbraw/zinc/68/26/11/355682611.db2.gz UTBLRTLGAVVBSC-UHFFFAOYSA-N -1 1 265.740 2.765 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1[O-] ZINC000443270311 241049323 /nfs/dbraw/zinc/04/93/23/241049323.db2.gz HOXCHVSMHWBUDX-HOTGVXAUSA-N -1 1 292.338 2.625 20 30 CFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000004450208 371856837 /nfs/dbraw/zinc/85/68/37/371856837.db2.gz SVVFLCOTFXTZFL-UHFFFAOYSA-N -1 1 272.329 2.668 20 30 CFEDMM N#CC(=C([O-])c1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000046706226 373060859 /nfs/dbraw/zinc/06/08/59/373060859.db2.gz BNIVNEAHJPAHGW-CYBMUJFWSA-N -1 1 286.294 2.925 20 30 CFEDMM C=CCN(Cc1cccs1)[C@H](CCC)C(=O)[O-] ZINC000574644298 335036706 /nfs/dbraw/zinc/03/67/06/335036706.db2.gz PBBNETZGZDRSNH-GFCCVEGCSA-N -1 1 253.367 2.989 20 30 CFEDMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1[C@H]2CCCO[C@H]21 ZINC000329360408 378457367 /nfs/dbraw/zinc/45/73/67/378457367.db2.gz XWZDTTREYVWZII-GGZOMVNGSA-N -1 1 251.257 2.544 20 30 CFEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCSC1 ZINC000329847666 378505190 /nfs/dbraw/zinc/50/51/90/378505190.db2.gz PIIHIQSOKCNNBR-RXMQYKEDSA-N -1 1 280.275 2.555 20 30 CFEDMM CCC(CC)CN(CCC#N)C(=O)c1ccc2[nH]nnc2c1 ZINC000171567990 379339650 /nfs/dbraw/zinc/33/96/50/379339650.db2.gz GSZYBIUQJDROCX-UHFFFAOYSA-N -1 1 299.378 2.750 20 30 CFEDMM C=CCN(CC1CCCCC1)C(=O)c1cncc([O-])c1 ZINC000171969410 379455466 /nfs/dbraw/zinc/45/54/66/379455466.db2.gz NBXXOIXORORLPK-UHFFFAOYSA-N -1 1 274.364 2.996 20 30 CFEDMM Cc1ccc2c(c1)CN(C(=O)c1ccc(C#N)c([O-])c1)C2 ZINC000334639401 379684023 /nfs/dbraw/zinc/68/40/23/379684023.db2.gz DKLHCIAEDSBSAY-UHFFFAOYSA-N -1 1 278.311 2.728 20 30 CFEDMM Cn1cc(C#N)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000176042960 380172250 /nfs/dbraw/zinc/17/22/50/380172250.db2.gz LWEVJEASKHHXIF-UHFFFAOYSA-N -1 1 275.695 2.508 20 30 CFEDMM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000336561284 380468851 /nfs/dbraw/zinc/46/88/51/380468851.db2.gz PHGFNNXXAMDPOE-CYBMUJFWSA-N -1 1 272.348 2.772 20 30 CFEDMM C[C@H](CC#N)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180699233 380691206 /nfs/dbraw/zinc/69/12/06/380691206.db2.gz CNEPFAGSGXXXJS-MRVPVSSYSA-N -1 1 286.253 2.785 20 30 CFEDMM C=CCCCCNC(=O)c1c(F)ccc([O-])c1F ZINC000290522045 381463237 /nfs/dbraw/zinc/46/32/37/381463237.db2.gz QCOYKYWKEMNIQG-UHFFFAOYSA-N -1 1 255.264 2.757 20 30 CFEDMM C#CCO[N-]C(=O)CCc1ccc(Cl)cc1Cl ZINC000291344611 381756030 /nfs/dbraw/zinc/75/60/30/381756030.db2.gz WJUXFSOXZXRWGZ-UHFFFAOYSA-N -1 1 272.131 2.607 20 30 CFEDMM C=C[C@@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301604445 382180256 /nfs/dbraw/zinc/18/02/56/382180256.db2.gz LVLDKMDXHQCXKN-SECBINFHSA-N -1 1 270.336 2.847 20 30 CFEDMM CCC(CC)N(CCOC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188331421 382393093 /nfs/dbraw/zinc/39/30/93/382393093.db2.gz QQQHQLARFZYQSM-UHFFFAOYSA-N -1 1 290.363 2.541 20 30 CFEDMM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188612578 382443370 /nfs/dbraw/zinc/44/33/70/382443370.db2.gz NXDRVRKYLMUUJL-TZMCWYRMSA-N -1 1 290.388 2.668 20 30 CFEDMM CCC[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188730955 382465689 /nfs/dbraw/zinc/46/56/89/382465689.db2.gz RZGTUCZILCOESW-GFCCVEGCSA-N -1 1 272.348 2.916 20 30 CFEDMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188786711 382476098 /nfs/dbraw/zinc/47/60/98/382476098.db2.gz HKMLRKHNOGRMRJ-NSHDSACASA-N -1 1 296.326 2.803 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)cc1[O-] ZINC000442678543 382944476 /nfs/dbraw/zinc/94/44/76/382944476.db2.gz LSDZEMPHQMCOTJ-INIZCTEOSA-N -1 1 293.326 2.540 20 30 CFEDMM C=CCCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000447928921 383030223 /nfs/dbraw/zinc/03/02/23/383030223.db2.gz GGHMPUVFIAVDLE-UHFFFAOYSA-N -1 1 277.748 2.724 20 30 CFEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000582342185 383086962 /nfs/dbraw/zinc/08/69/62/383086962.db2.gz HMYKMHNSBQXURX-UHFFFAOYSA-N -1 1 279.361 2.923 20 30 CFEDMM N#C[C@H]1CC[C@@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000424976429 383302362 /nfs/dbraw/zinc/30/23/62/383302362.db2.gz KBOHNTCKUYMQFZ-SMDDNHRTSA-N -1 1 280.327 2.967 20 30 CFEDMM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000570564692 383614115 /nfs/dbraw/zinc/61/41/15/383614115.db2.gz ZNUSMZWPWQVNHJ-BBRMVZONSA-N -1 1 297.354 2.866 20 30 CFEDMM CCNc1ccc(C#N)cc1NC(=O)c1ccccc1[O-] ZINC000436756918 383891098 /nfs/dbraw/zinc/89/10/98/383891098.db2.gz SOZLJONJSSJQCS-UHFFFAOYSA-N -1 1 281.315 2.948 20 30 CFEDMM C=C(C)[C@@H]([N-]C(=O)C(F)F)c1ccc(F)c(F)c1 ZINC000280130463 384895755 /nfs/dbraw/zinc/89/57/55/384895755.db2.gz GMIUYSYOVYGRJW-SNVBAGLBSA-N -1 1 261.218 2.963 20 30 CFEDMM C=CCN(C)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000275152069 385945753 /nfs/dbraw/zinc/94/57/53/385945753.db2.gz WZWTUYXUCLLYDN-UHFFFAOYSA-N -1 1 269.728 2.702 20 30 CFEDMM CC[C@H](CC#N)NC(=O)c1ccc(Br)c([O-])c1 ZINC000183812384 393522841 /nfs/dbraw/zinc/52/28/41/393522841.db2.gz LWWOMAQYXIQPTL-SECBINFHSA-N -1 1 297.152 2.577 20 30 CFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]2CCCC[C@H]12 ZINC000188783704 393568213 /nfs/dbraw/zinc/56/82/13/393568213.db2.gz IHCTVOOXNNSELC-DFBGVHRSSA-N -1 1 284.359 2.915 20 30 CFEDMM CCc1cc(=O)[n-]c(SCc2ccc(C#N)c(F)c2)n1 ZINC000195071724 393729494 /nfs/dbraw/zinc/72/94/94/393729494.db2.gz BEWKCVUISYEZEB-UHFFFAOYSA-N -1 1 289.335 2.635 20 30 CFEDMM CCCCOc1cccc([N-]S(=O)(=O)[C@@H](C#N)CC)c1 ZINC000416938275 393945491 /nfs/dbraw/zinc/94/54/91/393945491.db2.gz KVDNLCVMVSWOKD-CQSZACIVSA-N -1 1 296.392 2.909 20 30 CFEDMM Cc1nc(SCc2cccc(C#N)c2)[n-]c(=O)c1C ZINC000537414117 394582245 /nfs/dbraw/zinc/58/22/45/394582245.db2.gz CSIRJILOIHPKAT-UHFFFAOYSA-N -1 1 271.345 2.963 20 30 CFEDMM C=C[C@H](CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000647815559 395439522 /nfs/dbraw/zinc/43/95/22/395439522.db2.gz BOOIQTHDAUTSAI-LLVKDONJSA-N -1 1 271.320 2.722 20 30 CFEDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000336457364 227024760 /nfs/dbraw/zinc/02/47/60/227024760.db2.gz JAJZQOANLSBVLO-UHFFFAOYSA-N -1 1 286.356 2.862 20 30 CFEDMM O=C(NCC1CCSCC1)c1csc(=NC2CC2)[n-]1 ZINC000330225866 228072253 /nfs/dbraw/zinc/07/22/53/228072253.db2.gz OKAUUPBTXDCUMJ-UHFFFAOYSA-N -1 1 297.449 2.587 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000088474822 260232814 /nfs/dbraw/zinc/23/28/14/260232814.db2.gz SMIOINYGCBPHBD-SNVBAGLBSA-N -1 1 292.282 2.749 20 30 CFEDMM N#CC1CCC(CNC(=O)c2ccc([O-])cc2F)CC1 ZINC000282380773 263076299 /nfs/dbraw/zinc/07/62/99/263076299.db2.gz QQNLHXJZEGRYMX-UHFFFAOYSA-N -1 1 276.311 2.591 20 30 CFEDMM COc1cc(C(=O)NC[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000330694169 264004996 /nfs/dbraw/zinc/00/49/96/264004996.db2.gz YTZGBBDSUDWMFN-VIFPVBQESA-N -1 1 285.727 2.538 20 30 CFEDMM COc1cc(C(=O)N[C@@H]2CC[C@@H](OC)C2)cc(Cl)c1[O-] ZINC000331227917 264151204 /nfs/dbraw/zinc/15/12/04/264151204.db2.gz GCDPIMHHQXTUAI-NXEZZACHSA-N -1 1 299.754 2.926 20 30 CFEDMM Cc1cnc(C(=O)NCCC[C@@H]2CCCCO2)c([O-])c1 ZINC000331208540 264161866 /nfs/dbraw/zinc/16/18/66/264161866.db2.gz PVGANERUVMRYHY-LBPRGKRZSA-N -1 1 278.352 2.750 20 30 CFEDMM Cc1cnc(C(=O)NCCC[C@H]2CCCCO2)c([O-])c1 ZINC000331208539 264161918 /nfs/dbraw/zinc/16/19/18/264161918.db2.gz PVGANERUVMRYHY-GFCCVEGCSA-N -1 1 278.352 2.750 20 30 CFEDMM CO[C@@H]1CCC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC000331220761 264166234 /nfs/dbraw/zinc/16/62/34/264166234.db2.gz AIDVQYAIAIVAFH-JOYOIKCWSA-N -1 1 267.300 2.651 20 30 CFEDMM COc1cc(C(=O)NC(C)(C)[C@H](C)O)cc(Cl)c1[O-] ZINC000331271753 264169339 /nfs/dbraw/zinc/16/93/39/264169339.db2.gz LRQJGVVKAKSHNT-ZETCQYMHSA-N -1 1 287.743 2.518 20 30 CFEDMM COc1cc(C(=O)NC[C@]2(C)CCOC2)cc(Cl)c1[O-] ZINC000331261903 264184689 /nfs/dbraw/zinc/18/46/89/264184689.db2.gz CMJPOZAIMPKZCO-AWEZNQCLSA-N -1 1 299.754 2.785 20 30 CFEDMM CCc1cc(=O)[n-]c(SCc2cccc(C#N)c2)n1 ZINC000035345913 270225309 /nfs/dbraw/zinc/22/53/09/270225309.db2.gz FIASCOJURLXMGA-UHFFFAOYSA-N -1 1 271.345 2.909 20 30 CFEDMM CC(C)n1cc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cn1 ZINC000527482702 269639061 /nfs/dbraw/zinc/63/90/61/269639061.db2.gz NXRIAUDEVGENFU-NSHDSACASA-N -1 1 298.346 2.532 20 30 CFEDMM N#Cc1ccsc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174877642 323655742 /nfs/dbraw/zinc/65/57/42/323655742.db2.gz HWQRBPZIGFWEKB-UHFFFAOYSA-N -1 1 262.265 2.717 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1[O-] ZINC000188387372 324013694 /nfs/dbraw/zinc/01/36/94/324013694.db2.gz FWELNUVSVYEQRW-HUUCEWRRSA-N -1 1 296.301 2.689 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc1[O-] ZINC000188566165 324017895 /nfs/dbraw/zinc/01/78/95/324017895.db2.gz VZXYHHAQGIMSFD-BXUZGUMPSA-N -1 1 270.332 2.669 20 30 CFEDMM C=CCCO[C@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456792199 331204076 /nfs/dbraw/zinc/20/40/76/331204076.db2.gz HMIAFMRHQAJHOC-MRVPVSSYSA-N -1 1 271.263 2.590 20 30 CFEDMM C=C(CNC(=O)c1ncc(C)cc1[O-])c1ccccc1 ZINC000488909384 332033317 /nfs/dbraw/zinc/03/33/17/332033317.db2.gz MEZJTBNMQGUEIV-UHFFFAOYSA-N -1 1 268.316 2.539 20 30 CFEDMM C#CCN(C(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000491653438 332266180 /nfs/dbraw/zinc/26/61/80/332266180.db2.gz CUFPVDVGEHFRJC-UHFFFAOYSA-N -1 1 265.312 2.783 20 30 CFEDMM CC(C)n1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000191436490 333219703 /nfs/dbraw/zinc/21/97/03/333219703.db2.gz NAYTZLWZPSKREU-LBPRGKRZSA-N -1 1 293.330 2.830 20 30 CFEDMM N#C[C@@H](NC(=O)c1cc(F)ccc1[O-])C1CCCCC1 ZINC000132841123 334007449 /nfs/dbraw/zinc/00/74/49/334007449.db2.gz ZEWLRJDVKIEURT-CYBMUJFWSA-N -1 1 276.311 2.734 20 30 CFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084938329 334279596 /nfs/dbraw/zinc/27/95/96/334279596.db2.gz IJJQVKHCCDHTIA-JTQLQIEISA-N -1 1 265.334 2.676 20 30 CFEDMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000336422039 523025828 /nfs/dbraw/zinc/02/58/28/523025828.db2.gz CDHBBJDYMBEUPP-GFCCVEGCSA-N -1 1 270.332 2.692 20 30 CFEDMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000336422041 523103684 /nfs/dbraw/zinc/10/36/84/523103684.db2.gz CDHBBJDYMBEUPP-LBPRGKRZSA-N -1 1 270.332 2.692 20 30 CFEDMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336447619 523375118 /nfs/dbraw/zinc/37/51/18/523375118.db2.gz RKSJCICSVZEALJ-MFKMUULPSA-N -1 1 258.321 2.524 20 30 CFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1Cc2ccccc2C1 ZINC000336430224 523928928 /nfs/dbraw/zinc/92/89/28/523928928.db2.gz IJBDBRSQLHYXBP-UHFFFAOYSA-N -1 1 292.338 2.503 20 30 CFEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1F ZINC000061119801 525291498 /nfs/dbraw/zinc/29/14/98/525291498.db2.gz YJLQIUOEHLVGND-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1ccnc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000339357271 526758462 /nfs/dbraw/zinc/75/84/62/526758462.db2.gz PQGMDMYOWUZHNG-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM C=CCN(Cc1ccccc1F)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738492798 574095231 /nfs/dbraw/zinc/09/52/31/574095231.db2.gz UJVIMCVLZITLFV-ZDUSSCGKSA-N -1 1 292.354 2.814 20 30 CFEDMM C#Cc1cccc(N(CC)C(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000728539497 574099598 /nfs/dbraw/zinc/09/95/98/574099598.db2.gz PVBGBYZPOXQXGT-UHFFFAOYSA-N -1 1 283.287 2.571 20 30 CFEDMM Cc1nc[nH]c1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000755466653 574163882 /nfs/dbraw/zinc/16/38/82/574163882.db2.gz JKEDFRUCDRZEKW-UHFFFAOYSA-N -1 1 278.699 2.516 20 30 CFEDMM [O-]c1c(F)cccc1C=NNC(=S)Nc1ccccc1 ZINC000755497030 574165901 /nfs/dbraw/zinc/16/59/01/574165901.db2.gz GOBSLTNRSGBUPQ-UHFFFAOYSA-N -1 1 289.335 2.852 20 30 CFEDMM [O-]c1ccc(C=NO[C@H]2CCCCO2)cc1Cl ZINC000755816800 574189197 /nfs/dbraw/zinc/18/91/97/574189197.db2.gz WIFMOJYFYPSSTE-LBPRGKRZSA-N -1 1 255.701 2.923 20 30 CFEDMM C=CC1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000747390188 574193894 /nfs/dbraw/zinc/19/38/94/574193894.db2.gz NCHLKBXGPBRKBX-UHFFFAOYSA-N -1 1 289.379 2.652 20 30 CFEDMM CC(=NNc1cc(C)ccn1)c1ccc(C(=O)[O-])cc1 ZINC000755901403 574195686 /nfs/dbraw/zinc/19/56/86/574195686.db2.gz VTMXFUOGWKZNFQ-UHFFFAOYSA-N -1 1 269.304 2.924 20 30 CFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCc3sccc3C2)cc1 ZINC000739104486 574198656 /nfs/dbraw/zinc/19/86/56/574198656.db2.gz BDKMMWTWWKSYLI-HNNXBMFYSA-N -1 1 298.367 2.804 20 30 CFEDMM C[C@H]1CCC[C@](C#N)([N-]C(=O)C(F)(F)c2nccs2)C1 ZINC000756745738 574260834 /nfs/dbraw/zinc/26/08/34/574260834.db2.gz RJXKPSDVGYLQCF-CABZTGNLSA-N -1 1 299.346 2.824 20 30 CFEDMM N#CCc1ccc(COC(=O)c2ccc([O-])cc2F)cc1 ZINC000751569363 574379247 /nfs/dbraw/zinc/37/92/47/574379247.db2.gz SLMUXFRXHBRHGH-UHFFFAOYSA-N -1 1 285.274 2.954 20 30 CFEDMM Cn1c(Cl)cnc1/C=C1\CCc2cc([O-])ccc2C1=O ZINC000752889180 574396250 /nfs/dbraw/zinc/39/62/50/574396250.db2.gz TVWKMDMXBZSKLB-JXMROGBWSA-N -1 1 288.734 2.992 20 30 CFEDMM Cc1cc(C)nc(N=NCc2cccc(Cl)c2[O-])n1 ZINC000753162205 574399538 /nfs/dbraw/zinc/39/95/38/574399538.db2.gz OEXDSWGKEKUXNQ-UHFFFAOYSA-N -1 1 276.727 2.898 20 30 CFEDMM Cc1ccc(N=NCc2cccc(Cl)c2[O-])nn1 ZINC000753166069 574399689 /nfs/dbraw/zinc/39/96/89/574399689.db2.gz WHVPQKLKKLAPQG-UHFFFAOYSA-N -1 1 262.700 2.590 20 30 CFEDMM C=CCOCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000900092108 620637312 /nfs/dbraw/zinc/63/73/12/620637312.db2.gz YFOZAYHLLLCURJ-UHFFFAOYSA-N -1 1 271.316 2.760 20 30 CFEDMM COc1ccc(C(=O)N(O)Cc2ccc(F)cc2)c([O-])c1 ZINC000900096052 620637543 /nfs/dbraw/zinc/63/75/43/620637543.db2.gz PIKRVMURRLQXGK-UHFFFAOYSA-N -1 1 291.278 2.572 20 30 CFEDMM C=CC1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000825660122 601399943 /nfs/dbraw/zinc/39/99/43/601399943.db2.gz UIAIKQBVTDJELS-UHFFFAOYSA-N -1 1 285.347 2.590 20 30 CFEDMM O=C([O-])c1occc1/C=C\C(=O)c1cc(F)ccc1O ZINC000833093822 601825939 /nfs/dbraw/zinc/82/59/39/601825939.db2.gz BVOKZNWKJCPAAH-IWQZZHSRSA-N -1 1 276.219 2.719 20 30 CFEDMM O=C([O-])N1CCc2cccc(C=NNc3ccccn3)c21 ZINC000832080172 603821070 /nfs/dbraw/zinc/82/10/70/603821070.db2.gz SLIHPTYJIMPIOQ-UHFFFAOYSA-N -1 1 282.303 2.568 20 30 CFEDMM CN(C(=O)c1c([O-])cnc2c(F)cccc21)C1(C#N)CCC1 ZINC000900354504 620663451 /nfs/dbraw/zinc/66/34/51/620663451.db2.gz DEAAOYHQVBKIQD-UHFFFAOYSA-N -1 1 299.305 2.598 20 30 CFEDMM N#Cc1csc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000833078437 604467929 /nfs/dbraw/zinc/46/79/29/604467929.db2.gz KIHFQVXKYPMGTQ-OAHLLOKOSA-N -1 1 298.367 2.631 20 30 CFEDMM C=CCN(Cc1cccs1)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833375947 605314969 /nfs/dbraw/zinc/31/49/69/605314969.db2.gz KABUXVWABRDXES-GFCCVEGCSA-N -1 1 293.388 2.884 20 30 CFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCCC(C)(C)C)o1 ZINC000824352528 607887505 /nfs/dbraw/zinc/88/75/05/607887505.db2.gz HGFLNEUAGPQTTE-UHFFFAOYSA-N -1 1 291.359 2.812 20 30 CFEDMM Cc1ncccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826330346 608093854 /nfs/dbraw/zinc/09/38/54/608093854.db2.gz PYMJFVYFYHJRTN-SNAWJCMRSA-N -1 1 297.343 2.528 20 30 CFEDMM Cc1ncccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826330346 608093855 /nfs/dbraw/zinc/09/38/55/608093855.db2.gz PYMJFVYFYHJRTN-SNAWJCMRSA-N -1 1 297.343 2.528 20 30 CFEDMM C=CCCC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823894809 608332766 /nfs/dbraw/zinc/33/27/66/608332766.db2.gz XKLOZAZJMJDMDL-SECBINFHSA-N -1 1 292.364 2.830 20 30 CFEDMM C=CCCC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823894809 608332768 /nfs/dbraw/zinc/33/27/68/608332768.db2.gz XKLOZAZJMJDMDL-SECBINFHSA-N -1 1 292.364 2.830 20 30 CFEDMM O=C(/C=C\c1cccc(O)c1)c1cc(O)ccc1[O-] ZINC000255110088 617964072 /nfs/dbraw/zinc/96/40/72/617964072.db2.gz GCRLDDBESMJSMQ-XQRVVYSFSA-N -1 1 256.257 2.700 20 30 CFEDMM O=C1c2ccc(O)cc2O/C1=C/c1cc([O-])ccc1[N+](=O)[O-] ZINC000255373052 617688743 /nfs/dbraw/zinc/68/87/43/617688743.db2.gz TZVLKCKUCXLRTG-MKMNVTDBSA-N -1 1 299.238 2.622 20 30 CFEDMM CCCCCCCC(=O)N[C@H](CCC)c1nn[n-]n1 ZINC000176748727 618108878 /nfs/dbraw/zinc/10/88/78/618108878.db2.gz ZQIBWIJJGAXDIC-LLVKDONJSA-N -1 1 267.377 2.518 20 30 CFEDMM Cc1c(N=Cc2ccc(O)c([O-])c2O)cccc1[N+](=O)[O-] ZINC000255727123 618270493 /nfs/dbraw/zinc/27/04/93/618270493.db2.gz XNKQNQGYNKQGGZ-UHFFFAOYSA-N -1 1 288.259 2.771 20 30 CFEDMM C=CCCO[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901373980 620798047 /nfs/dbraw/zinc/79/80/47/620798047.db2.gz BNZWFLCOIHCWIX-NSHDSACASA-N -1 1 267.300 2.525 20 30 CFEDMM CC(C)CO[C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375096 620798434 /nfs/dbraw/zinc/79/84/34/620798434.db2.gz CZJXJRIGHVOZNA-LLVKDONJSA-N -1 1 269.316 2.605 20 30 CFEDMM O=C([C@H]1CCCO1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380160 620799353 /nfs/dbraw/zinc/79/93/53/620799353.db2.gz ZZFOZUBHBWKSQO-LLVKDONJSA-N -1 1 290.146 2.890 20 30 CFEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1C ZINC000162683524 618459395 /nfs/dbraw/zinc/45/93/95/618459395.db2.gz NZWFQRAVAZPRPB-NSHDSACASA-N -1 1 297.314 2.507 20 30 CFEDMM N#CC1(CNC(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000895409810 618571843 /nfs/dbraw/zinc/57/18/43/618571843.db2.gz MIQCALVRBOIXJT-UHFFFAOYSA-N -1 1 293.754 2.539 20 30 CFEDMM CC(=NN(C)C[C@H](C)O)c1cc(Cl)c(Cl)cc1[O-] ZINC000841649239 618758538 /nfs/dbraw/zinc/75/85/38/618758538.db2.gz FURIUOULBCLIKF-ZETCQYMHSA-N -1 1 291.178 2.736 20 30 CFEDMM C=C1CC(c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)C1 ZINC000896884726 619857859 /nfs/dbraw/zinc/85/78/59/619857859.db2.gz VFSDIWYWMUAASR-UHFFFAOYSA-N -1 1 285.303 2.834 20 30 CFEDMM C#CCc1c(C)[n-]n(Cc2ccc(Cl)cc2)c1=O ZINC000899351525 620550556 /nfs/dbraw/zinc/55/05/56/620550556.db2.gz MQFUMXJTDFLBNK-ZDUSSCGKSA-N -1 1 260.724 2.698 20 30 CFEDMM O=C(/C=C\c1cc2n(n1)CCCC2)c1cc([O-])cc(F)c1 ZINC000899412508 620565373 /nfs/dbraw/zinc/56/53/73/620565373.db2.gz IVWYLQMYIIVYOQ-PLNGDYQASA-N -1 1 286.306 2.960 20 30 CFEDMM O=C(/C=C\c1cn(C2CCC2)nn1)c1cc([O-])cc(F)c1 ZINC000899413977 620565976 /nfs/dbraw/zinc/56/59/76/620565976.db2.gz RGTKACPJMNXOKM-PLNGDYQASA-N -1 1 287.294 2.744 20 30 CFEDMM CC(C)Cc1coc(NC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000899447905 620570328 /nfs/dbraw/zinc/57/03/28/620570328.db2.gz DPJIHOHBBSXWFX-UHFFFAOYSA-N -1 1 285.303 2.703 20 30 CFEDMM C=CCOC[C@@H](NCc1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC000901810614 620921637 /nfs/dbraw/zinc/92/16/37/620921637.db2.gz SUBVLWAWEDSPQM-GFCCVEGCSA-N -1 1 297.420 2.791 20 30 CFEDMM C=CC[N@H+](C)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902094363 620977219 /nfs/dbraw/zinc/97/72/19/620977219.db2.gz FXCMKFOTEQMKIH-UHFFFAOYSA-N -1 1 284.153 2.765 20 30 CFEDMM O=C(N([O-])Cc1ccc(F)cc1)C1(F)CCCC1 ZINC000904174282 621542190 /nfs/dbraw/zinc/54/21/90/621542190.db2.gz YMPZQUDPQTYNCT-UHFFFAOYSA-N -1 1 255.264 2.826 20 30 CFEDMM CC[C@@H](C#N)C(=O)Nc1cccc([O-])c1Br ZINC000908708194 622267129 /nfs/dbraw/zinc/26/71/29/622267129.db2.gz QERQSCBWCBGTGY-ZETCQYMHSA-N -1 1 283.125 2.643 20 30 CFEDMM C=CCCO[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909979426 622378817 /nfs/dbraw/zinc/37/88/17/622378817.db2.gz RHGZTRINBVMEAZ-QMMMGPOBSA-N -1 1 271.263 2.590 20 30 CFEDMM CC1CC(C#N)(C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909984835 622379859 /nfs/dbraw/zinc/37/98/59/622379859.db2.gz UOQRRHQGXAFGKT-UHFFFAOYSA-N -1 1 266.247 2.549 20 30 CFEDMM CC1(C#N)CCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000833551586 625569176 /nfs/dbraw/zinc/56/91/76/625569176.db2.gz QEMXPOHKAKWWDZ-CYBMUJFWSA-N -1 1 276.311 2.577 20 30 CFEDMM CCn1nnc(C)c1/C=C1/CCc2cc([O-])ccc2C1=O ZINC000834421691 625668435 /nfs/dbraw/zinc/66/84/35/625668435.db2.gz SYDKBJMMLWEWPY-XFXZXTDPSA-N -1 1 283.331 2.525 20 30 CFEDMM CCn1nnc(C)c1/C=C\C(=O)c1cc(C)ccc1[O-] ZINC000834430604 625673323 /nfs/dbraw/zinc/67/33/23/625673323.db2.gz TUXONNNEYCQSAP-VURMDHGXSA-N -1 1 271.320 2.517 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(C)c(C)c1 ZINC000916241501 624230032 /nfs/dbraw/zinc/23/00/32/624230032.db2.gz GRYMJOISUXEIDF-UHFFFAOYSA-N -1 1 270.336 2.944 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-]N1CCC(C(C)(C)C)CC1 ZINC000830245443 624684904 /nfs/dbraw/zinc/68/49/04/624684904.db2.gz LVNKKIDDIJGOSF-UHFFFAOYSA-N -1 1 274.355 2.987 20 30 CFEDMM O=c1c2ccccc2ncn1N=Cc1ccc([O-])c(Cl)c1 ZINC000921255913 624827190 /nfs/dbraw/zinc/82/71/90/624827190.db2.gz GUHUMEFZUKUKGA-UHFFFAOYSA-N -1 1 299.717 2.638 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)cc1[O-] ZINC000921378807 624863265 /nfs/dbraw/zinc/86/32/65/624863265.db2.gz JHSNABXPGMUQEG-LEWSCRJBSA-N -1 1 270.332 2.572 20 30 CFEDMM C#C[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(C)(C)C ZINC000831547463 625049905 /nfs/dbraw/zinc/04/99/05/625049905.db2.gz RRRZOEMZSOCKCV-VIFPVBQESA-N -1 1 291.825 2.728 20 30 CFEDMM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccccc1[O-] ZINC000182131548 625259499 /nfs/dbraw/zinc/25/94/99/625259499.db2.gz WWNOUUHYBBMASC-LLVKDONJSA-N -1 1 282.299 2.935 20 30 CFEDMM C=CCCCCC(C)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000834958238 625932798 /nfs/dbraw/zinc/93/27/98/625932798.db2.gz JBVCVWDBSYLDEA-UHFFFAOYSA-N -1 1 288.355 2.603 20 30 CFEDMM N#C[C@H](NC(=O)c1c([O-])cccc1Cl)C1CCCC1 ZINC000921544580 625981563 /nfs/dbraw/zinc/98/15/63/625981563.db2.gz AMCPAOYXDKDOHP-NSHDSACASA-N -1 1 278.739 2.858 20 30 CFEDMM CCc1nn(C)cc1/C=C/C(=O)c1cc(OC)ccc1[O-] ZINC000092208808 626095277 /nfs/dbraw/zinc/09/52/77/626095277.db2.gz BJWLSVSUOCBRFY-FNORWQNLSA-N -1 1 286.331 2.593 20 30 CFEDMM CNC(=O)c1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)cc1 ZINC000187227037 626483025 /nfs/dbraw/zinc/48/30/25/626483025.db2.gz IUSHQMDSKIUYLC-ZSOIEALJSA-N -1 1 293.322 2.574 20 30 CFEDMM CC(=NNc1cc(C)nc(C)n1)c1cc(F)cc(F)c1[O-] ZINC000757461873 626552663 /nfs/dbraw/zinc/55/26/63/626552663.db2.gz SEGOQPVUYFABRE-UHFFFAOYSA-N -1 1 292.289 2.913 20 30 CFEDMM CC(N=Nc1nccnc1Cl)c1cc(F)cc(F)c1[O-] ZINC000757465443 626552747 /nfs/dbraw/zinc/55/27/47/626552747.db2.gz PNGWFIZSDTUCQT-UHFFFAOYSA-N -1 1 298.680 2.950 20 30 CFEDMM O=[N+]([O-])c1cccnc1N=NCc1cccc(Cl)c1[O-] ZINC000759202386 626636628 /nfs/dbraw/zinc/63/66/28/626636628.db2.gz XQNBYWQIZMRFIO-UHFFFAOYSA-N -1 1 292.682 2.795 20 30 CFEDMM CC(C)(C)[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765855897 627161498 /nfs/dbraw/zinc/16/14/98/627161498.db2.gz GYPAFUZWYYFENY-NSHDSACASA-N -1 1 284.281 2.972 20 30 CFEDMM C#CCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000766289342 627190986 /nfs/dbraw/zinc/19/09/86/627190986.db2.gz MBQCHFLLDGHXNZ-UHFFFAOYSA-N -1 1 262.256 2.707 20 30 CFEDMM CC(C)=CCC[C@H](C)CC=Nn1c(=O)cn[n-]c1=S ZINC000766486286 627205485 /nfs/dbraw/zinc/20/54/85/627205485.db2.gz ZLVHZUZEJFOVTH-NSHDSACASA-N -1 1 280.397 2.534 20 30 CFEDMM CC(C)=CCC[C@@H](C)CC=Nn1c(=O)cn[n-]c1=S ZINC000766486285 627205579 /nfs/dbraw/zinc/20/55/79/627205579.db2.gz ZLVHZUZEJFOVTH-LLVKDONJSA-N -1 1 280.397 2.534 20 30 CFEDMM C=CC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccncc1 ZINC000768145402 627321305 /nfs/dbraw/zinc/32/13/05/627321305.db2.gz GQCLZKVMHKULLY-CQSZACIVSA-N -1 1 286.306 2.974 20 30 CFEDMM CCCC(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769811955 627477196 /nfs/dbraw/zinc/47/71/96/627477196.db2.gz GWFWVQIEOHMQTJ-UHFFFAOYSA-N -1 1 290.371 2.875 20 30 CFEDMM CCC(C[C@H](C)CC)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769817768 627477583 /nfs/dbraw/zinc/47/75/83/627477583.db2.gz CHVCCWCQRFUZIW-SECBINFHSA-N -1 1 290.371 2.683 20 30 CFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000770392007 627518573 /nfs/dbraw/zinc/51/85/73/627518573.db2.gz PYTYUCUZIIUEGF-SECBINFHSA-N -1 1 289.759 2.559 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC[C@H]2C(C)=CCC[C@@H]2C)n1 ZINC000773179565 627792851 /nfs/dbraw/zinc/79/28/51/627792851.db2.gz DCHGSRRDMXPINA-JQWIXIFHSA-N -1 1 260.341 2.881 20 30 CFEDMM [O-]c1c(F)cc(CN=Nc2ncncc2Cl)cc1F ZINC000780282934 628450740 /nfs/dbraw/zinc/45/07/40/628450740.db2.gz MCRJEFFNZAWEHL-UHFFFAOYSA-N -1 1 284.653 2.560 20 30 CFEDMM Cc1ccc2cc(C=NNc3nc(C)cc(=O)[n-]3)ccc2n1 ZINC000783511383 628715128 /nfs/dbraw/zinc/71/51/28/628715128.db2.gz OSIBRYJYOPTXFP-UHFFFAOYSA-N -1 1 293.330 2.793 20 30 CFEDMM CC(C)(C#N)CCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784216489 628791431 /nfs/dbraw/zinc/79/14/31/628791431.db2.gz QXOFVGYSJONUBW-UHFFFAOYSA-N -1 1 292.291 2.787 20 30 CFEDMM C=C(Cl)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787956612 629044057 /nfs/dbraw/zinc/04/40/57/629044057.db2.gz UMCBGSIPNBNXIW-UHFFFAOYSA-N -1 1 296.685 2.626 20 30 CFEDMM [O-]c1ccc(C=NNCCc2ccccn2)cc1Cl ZINC000789097476 629126450 /nfs/dbraw/zinc/12/64/50/629126450.db2.gz QIAOVDZXFLXGHP-UHFFFAOYSA-N -1 1 275.739 2.607 20 30 CFEDMM O=C([O-])c1ccc(C=NNc2cccc(Cl)n2)cc1 ZINC000793174006 629498554 /nfs/dbraw/zinc/49/85/54/629498554.db2.gz GVJSPNPLMDPIBM-UHFFFAOYSA-N -1 1 275.695 2.879 20 30 CFEDMM CSCCON=Cc1c([O-])ccc(Cl)c1F ZINC000794573489 629662612 /nfs/dbraw/zinc/66/26/12/629662612.db2.gz DHVHCKGHVAQETF-UHFFFAOYSA-N -1 1 263.721 2.898 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc3occc3c2)n1 ZINC000794856960 629696248 /nfs/dbraw/zinc/69/62/48/629696248.db2.gz PJVRJINDWDLZKL-UHFFFAOYSA-N -1 1 268.276 2.683 20 30 CFEDMM Cc1cccnc1NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794939424 629707774 /nfs/dbraw/zinc/70/77/74/629707774.db2.gz IJUIYJLPDXFNPZ-GFCCVEGCSA-N -1 1 299.330 2.688 20 30 CFEDMM CC(C)n1nccc1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000794945115 629708355 /nfs/dbraw/zinc/70/83/55/629708355.db2.gz KBCVJPFDRFWTCI-XYOKQWHBSA-N -1 1 268.316 2.992 20 30 CFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccoc1C1CC1 ZINC000798817668 630241293 /nfs/dbraw/zinc/24/12/93/630241293.db2.gz DPPJOEVURAEJHG-GFCCVEGCSA-N -1 1 295.298 2.513 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(C)c(C)o1 ZINC000799866158 630349528 /nfs/dbraw/zinc/34/95/28/630349528.db2.gz WKUFNSGVWDXIDZ-UHFFFAOYSA-N -1 1 260.297 2.537 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C\c2csnn2)c([O-])c1 ZINC000799895300 630352589 /nfs/dbraw/zinc/35/25/89/630352589.db2.gz OSQBMKPQWSNCBE-ARJAWSKDSA-N -1 1 260.318 2.757 20 30 CFEDMM C#CC[C@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1F ZINC000804453841 630682938 /nfs/dbraw/zinc/68/29/38/630682938.db2.gz KFZSRRNLOZCOAE-CQSZACIVSA-N -1 1 297.329 2.896 20 30 CFEDMM CC(N=Nc1cccc(C(=O)[O-])c1)c1cn2c(n1)CCCC2 ZINC000807944354 630924334 /nfs/dbraw/zinc/92/43/34/630924334.db2.gz XNKKWGJOFZECPC-UHFFFAOYSA-N -1 1 298.346 2.754 20 30 CFEDMM C=CC[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000840539308 631163401 /nfs/dbraw/zinc/16/34/01/631163401.db2.gz WZYRIZLVSULMEP-LLVKDONJSA-N -1 1 257.255 2.852 20 30 CFEDMM CC(=NNC[C@@H](C)C#N)c1ccc(Cl)cc1[O-] ZINC000841630136 631436630 /nfs/dbraw/zinc/43/66/30/631436630.db2.gz HQIAEPSVFWYMQY-QMMMGPOBSA-N -1 1 251.717 2.519 20 30 CFEDMM CSCCON=Cc1cccc([O-])c1Br ZINC000841635595 631439572 /nfs/dbraw/zinc/43/95/72/631439572.db2.gz DLDBDNJLFIJAPY-UHFFFAOYSA-N -1 1 290.182 2.868 20 30 CFEDMM CC(=NNC[C@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000811657860 631597360 /nfs/dbraw/zinc/59/73/60/631597360.db2.gz AVEXOFVNJBHEPF-SNVBAGLBSA-N -1 1 268.357 2.598 20 30 CFEDMM C[C@@H](CO)N(C)N=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000842543221 631658972 /nfs/dbraw/zinc/65/89/72/631658972.db2.gz YVNRRFRTQRVOEO-JTQLQIEISA-N -1 1 292.766 2.845 20 30 CFEDMM [O-]c1c(Br)cc(O)cc1C=NOC1CCC1 ZINC000812235312 631673901 /nfs/dbraw/zinc/67/39/01/631673901.db2.gz RVFYTVIMEWDIOQ-UHFFFAOYSA-N -1 1 286.125 2.763 20 30 CFEDMM Cn1cc(/C=C2\Cc3cc([O-])ccc3C2=O)c(C(F)F)n1 ZINC000812242488 631677904 /nfs/dbraw/zinc/67/79/04/631677904.db2.gz RMXQKNOJJQGLTI-WEVVVXLNSA-N -1 1 290.269 2.886 20 30 CFEDMM C#C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000812753413 631767870 /nfs/dbraw/zinc/76/78/70/631767870.db2.gz IULSRTHDDRATKZ-INIZCTEOSA-N -1 1 294.285 2.507 20 30 CFEDMM [O-]c1c(O)cc(C=NOCC2CC2)cc1Br ZINC000814241019 632043071 /nfs/dbraw/zinc/04/30/71/632043071.db2.gz BSBCXGXCSDUQSZ-UHFFFAOYSA-N -1 1 286.125 2.621 20 30 CFEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1cccc(CO)c1 ZINC000814680738 632106666 /nfs/dbraw/zinc/10/66/66/632106666.db2.gz GIPLYTXGYDMCFR-UHFFFAOYSA-N -1 1 284.315 2.713 20 30 CFEDMM C=C(C)CC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867348555 632125808 /nfs/dbraw/zinc/12/58/08/632125808.db2.gz HIXAPZHSWYPNMA-UHFFFAOYSA-N -1 1 295.191 2.633 20 30 CFEDMM Cc1cc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)ncn1 ZINC000814845949 632137157 /nfs/dbraw/zinc/13/71/57/632137157.db2.gz AHBYCLUONULMKC-UHFFFAOYSA-N -1 1 284.319 2.546 20 30 CFEDMM COc1cccc(NN=C(C)c2cc(C(=O)[O-])cs2)n1 ZINC000814900401 632154813 /nfs/dbraw/zinc/15/48/13/632154813.db2.gz RIOYVPUSNKGUCC-UHFFFAOYSA-N -1 1 291.332 2.686 20 30 CFEDMM O=C([O-])c1cccc(CN=Nc2cccc(Cl)n2)c1 ZINC000814939291 632175451 /nfs/dbraw/zinc/17/54/51/632175451.db2.gz LQELOLOCSIYKMQ-UHFFFAOYSA-N -1 1 275.695 2.879 20 30 CFEDMM CC(=NN[C@@H](C)CC#N)c1ccc([O-])c(Br)c1 ZINC000844588715 632255402 /nfs/dbraw/zinc/25/54/02/632255402.db2.gz GGNYAKAIHUEGFH-QMMMGPOBSA-N -1 1 296.168 2.770 20 30 CFEDMM CC(=NNC1CC1)c1ccc([O-])c(Br)c1 ZINC000844594289 632257895 /nfs/dbraw/zinc/25/78/95/632257895.db2.gz VBOPBMRVUVEERS-UHFFFAOYSA-N -1 1 269.142 2.631 20 30 CFEDMM C=C(C)CC[C@@H](C)OC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000845865464 632585896 /nfs/dbraw/zinc/58/58/96/632585896.db2.gz OSTMNTBUPUNTAL-SNVBAGLBSA-N -1 1 265.309 2.703 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C3CC3)c2)c(=O)o1 ZINC000817342260 632609953 /nfs/dbraw/zinc/60/99/53/632609953.db2.gz RKKODJKBRMMPPP-ZGRWHYIRSA-N -1 1 296.322 2.792 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1cc(Cl)ccc1OC ZINC000846543342 632731781 /nfs/dbraw/zinc/73/17/81/632731781.db2.gz OKGBMCUAAPISQM-SECBINFHSA-N -1 1 269.728 2.513 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000846543043 632731988 /nfs/dbraw/zinc/73/19/88/632731988.db2.gz JWECNQNADRATRJ-GFCCVEGCSA-N -1 1 299.374 2.654 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1c(C)oc2ccccc21 ZINC000846548458 632736080 /nfs/dbraw/zinc/73/60/80/632736080.db2.gz JZIGIYZTUXGVDX-SNVBAGLBSA-N -1 1 259.305 2.906 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)C1(Cc2ccccc2)CCOCC1 ZINC000846553622 632740757 /nfs/dbraw/zinc/74/07/57/632740757.db2.gz CTWFMSSBVAITKH-CQSZACIVSA-N -1 1 289.375 2.648 20 30 CFEDMM Cn1ncc(C2CCC2)c1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000849246673 633589723 /nfs/dbraw/zinc/58/97/23/633589723.db2.gz KDDJSBFIXGDGPK-VURMDHGXSA-N -1 1 298.342 2.995 20 30 CFEDMM N#CC[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000855253987 635494390 /nfs/dbraw/zinc/49/43/90/635494390.db2.gz BJXLVKUQAQPIPC-SNVBAGLBSA-N -1 1 278.739 2.811 20 30 CFEDMM C=CCOCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865373121 638291039 /nfs/dbraw/zinc/29/10/39/638291039.db2.gz GTBKNNJLYIYBKH-UHFFFAOYSA-N -1 1 252.339 2.620 20 30 CFEDMM COc1cc(N[C@@H](C)c2cccc(C#N)c2[O-])cnc1OC ZINC000866395654 638814025 /nfs/dbraw/zinc/81/40/25/638814025.db2.gz BFRWZNYJWBVMJE-JTQLQIEISA-N -1 1 299.330 2.849 20 30 CFEDMM N#CC(=C([O-])c1c(Cl)n[nH]c1C1CC1)c1ccccn1 ZINC000870137056 639527855 /nfs/dbraw/zinc/52/78/55/639527855.db2.gz VHEGQLICKDJXBH-VIFPVBQESA-N -1 1 286.722 2.826 20 30 CFEDMM C=C(C)CNN=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872373250 641777684 /nfs/dbraw/zinc/77/76/84/641777684.db2.gz AFISWUWROINSLG-UHFFFAOYSA-N -1 1 296.396 2.990 20 30 CFEDMM C#Cc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000019836733 642049684 /nfs/dbraw/zinc/04/96/84/642049684.db2.gz SGWVHANRENRFBZ-UHFFFAOYSA-N -1 1 267.284 2.634 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2CCCC3(CC3)C2)cc1[O-] ZINC000888695431 642762335 /nfs/dbraw/zinc/76/23/35/642762335.db2.gz AGYPFMHAITYIDT-ZDUSSCGKSA-N -1 1 270.332 2.716 20 30 CFEDMM N#Cc1ccc(C(=O)NCC[C@H]2CCCC2(F)F)cc1[O-] ZINC000881584226 645058713 /nfs/dbraw/zinc/05/87/13/645058713.db2.gz RHJPELXWQUFEJU-GFCCVEGCSA-N -1 1 294.301 2.819 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1c(C)cc(O)cc1C ZINC000884368526 646326533 /nfs/dbraw/zinc/32/65/33/646326533.db2.gz AQUNBYZZDUGRJV-UHFFFAOYSA-N -1 1 286.335 2.649 20 30 CFEDMM CC1(C)C[C@H](NN=Cc2ccc([O-])c(F)c2F)CCO1 ZINC000884451971 646366327 /nfs/dbraw/zinc/36/63/27/646366327.db2.gz FWPWYKXESULLKN-SNVBAGLBSA-N -1 1 284.306 2.552 20 30 CFEDMM CC(=NN[C@@H]1CCOC(C)(C)C1)c1c([O-])cccc1F ZINC000884452383 646366392 /nfs/dbraw/zinc/36/63/92/646366392.db2.gz OGSMMINCCSJLAS-LLVKDONJSA-N -1 1 280.343 2.803 20 30 CFEDMM CC(=NOCCOC(C)C)c1c([O-])cccc1F ZINC000884471158 646375917 /nfs/dbraw/zinc/37/59/17/646375917.db2.gz MZHGOEDWDIAWLU-UHFFFAOYSA-N -1 1 255.289 2.697 20 30 CFEDMM N#CC1(CC(=O)Nc2cc(F)c([O-])cc2Cl)CC1 ZINC000885678048 646735846 /nfs/dbraw/zinc/73/58/46/646735846.db2.gz HQQDZRNBGRWION-UHFFFAOYSA-N -1 1 268.675 2.817 20 30 CFEDMM N#CCCCCCC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886268327 646941624 /nfs/dbraw/zinc/94/16/24/646941624.db2.gz LSBMRSGIJKTJDA-UHFFFAOYSA-N -1 1 296.317 2.803 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1cccc(CC#N)n1 ZINC000886435780 647002041 /nfs/dbraw/zinc/00/20/41/647002041.db2.gz JAIRLWQKXAXSPQ-UHFFFAOYSA-N -1 1 295.408 2.860 20 30 CFEDMM Cc1ccc([O-])c(C(=O)/C=C\c2c(Cl)cnn2C)c1 ZINC000588535200 770950899 /nfs/dbraw/zinc/95/08/99/770950899.db2.gz UNOMDZGUVNMAQU-XQRVVYSFSA-N -1 1 276.723 2.984 20 30 CFEDMM C=CC[C@@H](CCC)OCCCC[P@](=O)([O-])O ZINC001225021892 775338983 /nfs/dbraw/zinc/33/89/83/775338983.db2.gz JYOSGULIDAXFDR-NSHDSACASA-N -1 1 250.275 2.706 20 30 CFEDMM C[C@@H](OCCCC[P@](=O)([O-])O)c1ccccc1C#N ZINC001225019547 775338423 /nfs/dbraw/zinc/33/84/23/775338423.db2.gz YIDHWQVHGMLBCG-LLVKDONJSA-N -1 1 283.264 2.594 20 30 CFEDMM C#C[C@@H](Oc1[n-]c(=O)nc(C)c1Cl)c1ccccc1 ZINC001227110573 776101417 /nfs/dbraw/zinc/10/14/17/776101417.db2.gz AWVWJQRDOAZUBL-LLVKDONJSA-N -1 1 274.707 2.897 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCCOC1 ZINC001227119904 776106885 /nfs/dbraw/zinc/10/68/85/776106885.db2.gz APYRHIZZTVMSDF-LBPRGKRZSA-N -1 1 276.332 2.881 20 30 CFEDMM C#C[C@@H](Oc1[n-]c(=S)ncc1F)c1ccccc1 ZINC001227383520 776189017 /nfs/dbraw/zinc/18/90/17/776189017.db2.gz OJOAHGSOHPMEJJ-LLVKDONJSA-N -1 1 260.293 2.658 20 30 CFEDMM C[C@@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccncc1 ZINC001227614732 776244448 /nfs/dbraw/zinc/24/44/48/776244448.db2.gz JOIYBOWSEMKXKX-SNVBAGLBSA-N -1 1 265.272 2.671 20 30 CFEDMM CC1(C)[C@@H]2C[C@@H](Oc3ccc([O-])c(C#N)c3C#N)C[C@@H]21 ZINC001227617874 776246694 /nfs/dbraw/zinc/24/66/94/776246694.db2.gz IINJOOQNAICMOU-CGJHYDBRSA-N -1 1 268.316 2.949 20 30 CFEDMM N#Cc1c([O-])ccc(O[C@H]2CCC(F)(F)C2)c1C#N ZINC001227621305 776247066 /nfs/dbraw/zinc/24/70/66/776247066.db2.gz CLIVRACEXPIUGC-QMMMGPOBSA-N -1 1 264.231 2.702 20 30 CFEDMM C#C[C@@H](Oc1[n-]c(=S)nc2cnccc21)c1ccncc1 ZINC001227886696 776317906 /nfs/dbraw/zinc/31/79/06/776317906.db2.gz XDKYFZFAGDDWKV-CYBMUJFWSA-N -1 1 294.339 2.836 20 30 CFEDMM C[C@H](Oc1cc([O-])ccc1C#N)c1ccncc1F ZINC001228006627 776358876 /nfs/dbraw/zinc/35/88/76/776358876.db2.gz GHLZPTBQSNWYSP-VIFPVBQESA-N -1 1 258.252 2.938 20 30 CFEDMM CCOC(=O)[C@H]1CCC[C@@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228008054 776361317 /nfs/dbraw/zinc/36/13/17/776361317.db2.gz VUZJTBLZFLBXHK-SMDDNHRTSA-N -1 1 289.331 2.765 20 30 CFEDMM N#Cc1ccc([O-])cc1O[C@@H]1CC(F)(F)C1(F)F ZINC001228008213 776361976 /nfs/dbraw/zinc/36/19/76/776361976.db2.gz WJETYXMOMMTHJS-SECBINFHSA-N -1 1 261.174 2.686 20 30 CFEDMM CCC1=C(Oc2cc3c(cc2[O-])CCC3=O)C(=O)[C@@H](C)O1 ZINC001228854766 776635467 /nfs/dbraw/zinc/63/54/67/776635467.db2.gz VZOJRIMRUZCHNC-MRVPVSSYSA-N -1 1 288.299 2.509 20 30 CFEDMM C#C[C@@H](Oc1c([O-])c(OC)cc2ccc(=O)oc21)C(C)C ZINC001229214150 776754417 /nfs/dbraw/zinc/75/44/17/776754417.db2.gz BVZYHWSLKRCZCD-LLVKDONJSA-N -1 1 288.299 2.544 20 30 CFEDMM C=C[C@@H](Oc1cc([O-])c(Cl)cc1Cl)C(=O)OC ZINC001229406473 776802828 /nfs/dbraw/zinc/80/28/28/776802828.db2.gz WDCNDNDNSFHCGU-SECBINFHSA-N -1 1 277.103 2.805 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@H](C)c1cnccn1 ZINC001229737889 776883475 /nfs/dbraw/zinc/88/34/75/776883475.db2.gz DFMWDEOJHZKRKT-JDAJCMJVSA-N -1 1 257.293 2.815 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@@H](C)c1cnccn1 ZINC001229737890 776884017 /nfs/dbraw/zinc/88/40/17/776884017.db2.gz DFMWDEOJHZKRKT-MUOOZZNISA-N -1 1 257.293 2.815 20 30 CFEDMM CCOC(=O)[C@H]1CCC[C@@H]1Oc1ccccc1/C(C)=N/[O-] ZINC001229736726 776884265 /nfs/dbraw/zinc/88/42/65/776884265.db2.gz IOWJTWMUWMSZKH-TUNZVQQWSA-N -1 1 291.347 2.995 20 30 CFEDMM C=C[C@H](CCCCCC)Oc1nc(=O)[n-]cc1C(=O)OC ZINC001229869957 776908114 /nfs/dbraw/zinc/90/81/14/776908114.db2.gz CWUNGWMKAFCIDT-LLVKDONJSA-N -1 1 294.351 2.873 20 30 CFEDMM COc1c(O[C@H](CC#N)c2ccccc2)nc(C)[n-]c1=O ZINC001230020915 776942567 /nfs/dbraw/zinc/94/25/67/776942567.db2.gz JAMATMUWSFVMEG-GFCCVEGCSA-N -1 1 285.303 2.533 20 30 CFEDMM N#CCCN(Cc1ccc(C(=O)[O-])cc1O)C1CCCC1 ZINC001231451727 777223870 /nfs/dbraw/zinc/22/38/70/777223870.db2.gz SHGBAALFOAQQCZ-UHFFFAOYSA-N -1 1 288.347 2.749 20 30 CFEDMM N#C[C@@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC001232788335 777669126 /nfs/dbraw/zinc/66/91/26/777669126.db2.gz NREUFQVAWWCDFI-NSHDSACASA-N -1 1 250.729 2.924 20 30 CFEDMM C#C[C@@H](Oc1ccc(/C=N/[O-])cc1OC)c1ccncc1 ZINC001233803847 778083001 /nfs/dbraw/zinc/08/30/01/778083001.db2.gz SSPUHYZLVMXHDO-XWAFYUISSA-N -1 1 282.299 2.652 20 30 CFEDMM C=CC[C@H](C=C)Oc1c(C(=O)OC)nc(C(C)C)[n-]c1=O ZINC001234557408 778252431 /nfs/dbraw/zinc/25/24/31/778252431.db2.gz KBGZSYZICCLFDJ-JTQLQIEISA-N -1 1 292.335 2.602 20 30 CFEDMM C#C[C@H](C)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234743417 778294634 /nfs/dbraw/zinc/29/46/34/778294634.db2.gz CXRWVGXIBIIKJQ-VIFPVBQESA-N -1 1 296.278 2.758 20 30 CFEDMM COC(=O)[C@H]1CC[C@@H](Oc2ccccc2C=N[O-])CC1 ZINC001234820266 778298940 /nfs/dbraw/zinc/29/89/40/778298940.db2.gz UDPFMYKBDFZUGX-BJHJDKERSA-N -1 1 277.320 2.605 20 30 CFEDMM Cc1c([C@H](C)Oc2ccccc2C=N[O-])cnn1C ZINC001234820916 778301904 /nfs/dbraw/zinc/30/19/04/778301904.db2.gz AGLGQGZIGNTGJQ-NSHDSACASA-N -1 1 259.309 2.677 20 30 CFEDMM COC(=O)C[C@H]1CCC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234818680 778302253 /nfs/dbraw/zinc/30/22/53/778302253.db2.gz CNEGBYZUSQEDFP-GXTWGEPZSA-N -1 1 291.347 2.995 20 30 CFEDMM CCCCOC(=O)[C@H](C)Oc1ccccc1C=N[O-] ZINC001234817837 778302545 /nfs/dbraw/zinc/30/25/45/778302545.db2.gz AGJGWNQBAOMWJR-NSHDSACASA-N -1 1 265.309 2.605 20 30 CFEDMM N#Cc1cc(O)ccc1Nc1ccc([O-])c(F)c1F ZINC001212011030 778326348 /nfs/dbraw/zinc/32/63/48/778326348.db2.gz NGUVFUWJIWCNKJ-UHFFFAOYSA-N -1 1 262.215 2.991 20 30 CFEDMM N#C[C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127212 779021564 /nfs/dbraw/zinc/02/15/64/779021564.db2.gz WQWFGZGUHLERBY-QMMMGPOBSA-N -1 1 254.692 2.530 20 30 CFEDMM COc1cnc(F)cc1-c1cc(/C=N/[O-])ccc1F ZINC001239038666 779448894 /nfs/dbraw/zinc/44/88/94/779448894.db2.gz BQYQYPMSUQCWMA-UBKPWBPPSA-N -1 1 264.231 2.844 20 30 CFEDMM CN1CCOc2cc(-c3ccc(/C=N/[O-])c(F)c3)cnc21 ZINC001239615269 779663869 /nfs/dbraw/zinc/66/38/69/779663869.db2.gz WBRVGFUYWXTPBW-GIJQJNRQSA-N -1 1 287.294 2.524 20 30 CFEDMM Nc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])c(F)n1 ZINC001239833155 779808556 /nfs/dbraw/zinc/80/85/56/779808556.db2.gz OTEFOHOAWMEZQY-PDGQHHTCSA-N -1 1 257.268 2.594 20 30 CFEDMM N#Cc1cccc2c1c(N)nn2-c1ccc(Cl)cc1[O-] ZINC001214401920 780027350 /nfs/dbraw/zinc/02/73/50/780027350.db2.gz IQTQHPZCAMRUIR-UHFFFAOYSA-N -1 1 284.706 2.838 20 30 CFEDMM CCc1nnc(-c2cc([O-])cc(F)c2)c(C#N)c1CC ZINC001241261383 780741207 /nfs/dbraw/zinc/74/12/07/780741207.db2.gz MIIKSURLKBFILL-UHFFFAOYSA-N -1 1 271.295 2.985 20 30 CFEDMM COC(=O)c1ccc(C#N)cc1-c1cc([O-])cc(F)c1 ZINC001241280490 780753992 /nfs/dbraw/zinc/75/39/92/780753992.db2.gz NTGFHDBYDUDXHE-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM C=CCNC(=O)c1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241290008 780759318 /nfs/dbraw/zinc/75/93/18/780759318.db2.gz JBCXKDAQSAVEHQ-UHFFFAOYSA-N -1 1 290.269 2.648 20 30 CFEDMM CC(C)n1ncc(C#N)c1Nc1cccc([O-])c1F ZINC001212547173 781039558 /nfs/dbraw/zinc/03/95/58/781039558.db2.gz HXKJTMQSOIFGFH-UHFFFAOYSA-N -1 1 260.272 2.924 20 30 CFEDMM COc1cc(-c2ccccc2C=N[O-])c(OC)cn1 ZINC001242428723 781494635 /nfs/dbraw/zinc/49/46/35/781494635.db2.gz BSGMZUMKOLCRAZ-UHFFFAOYSA-N -1 1 258.277 2.574 20 30 CFEDMM N#Cc1cc(-c2ccc(-n3cccc3)nn2)ccc1[O-] ZINC001242562457 781599611 /nfs/dbraw/zinc/59/96/11/781599611.db2.gz ZVPRARDJCGYKRX-UHFFFAOYSA-N -1 1 262.272 2.512 20 30 CFEDMM CCOC(=O)c1ccc(C)c(-c2ccc([O-])c(C#N)c2)n1 ZINC001242562328 781599686 /nfs/dbraw/zinc/59/96/86/781599686.db2.gz SGFKBWUMACNMCQ-UHFFFAOYSA-N -1 1 282.299 2.811 20 30 CFEDMM N#Cc1cc(-c2ncnc3sccc32)ccc1[O-] ZINC001242562278 781600576 /nfs/dbraw/zinc/60/05/76/781600576.db2.gz PVBCOGHGYGJBJF-UHFFFAOYSA-N -1 1 253.286 2.936 20 30 CFEDMM Cc1noc(-c2ccnc(-c3ccc([O-])c(C#N)c3)c2)n1 ZINC001242562954 781601650 /nfs/dbraw/zinc/60/16/50/781601650.db2.gz LGBBJYMFXMHJET-UHFFFAOYSA-N -1 1 278.271 2.684 20 30 CFEDMM N#Cc1cc(-c2cc3c(nn2)CCCC3)ccc1[O-] ZINC001242563094 781601873 /nfs/dbraw/zinc/60/18/73/781601873.db2.gz OWIGVBURWHDILH-UHFFFAOYSA-N -1 1 251.289 2.600 20 30 CFEDMM CCOC(=O)c1ccc(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242564763 781603638 /nfs/dbraw/zinc/60/36/38/781603638.db2.gz RZJYIZABSLRWNA-UHFFFAOYSA-N -1 1 268.272 2.503 20 30 CFEDMM CC(C)n1cc(-c2ccc([O-])c(C#N)c2)ccc1=O ZINC001242565841 781604647 /nfs/dbraw/zinc/60/46/47/781604647.db2.gz UUBSGSLJHLSWEI-UHFFFAOYSA-N -1 1 254.289 2.673 20 30 CFEDMM COC(=O)c1ccc(N(C)C)c(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565814 781604698 /nfs/dbraw/zinc/60/46/98/781604698.db2.gz TUFKCNDCLNTBOO-UHFFFAOYSA-N -1 1 296.326 2.783 20 30 CFEDMM CCN(CC)C(=O)c1ccc(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242565828 781604968 /nfs/dbraw/zinc/60/49/68/781604968.db2.gz UCYOVBUJQDIYEY-UHFFFAOYSA-N -1 1 295.342 2.808 20 30 CFEDMM N#Cc1cc(-c2ccc3ncnc(C#N)c3c2)ccc1[O-] ZINC001242565238 781605021 /nfs/dbraw/zinc/60/50/21/781605021.db2.gz SGKXQVVOEXXPPQ-UHFFFAOYSA-N -1 1 272.267 2.746 20 30 CFEDMM COC(=O)c1c(F)ccc(F)c1-c1ccc([O-])c(C#N)c1 ZINC001242566232 781605966 /nfs/dbraw/zinc/60/59/66/781605966.db2.gz OQDXJVCGUNQCLP-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM CC(C)Oc1ncc(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242566225 781606529 /nfs/dbraw/zinc/60/65/29/781606529.db2.gz OIBTXRLLVAYHEE-UHFFFAOYSA-N -1 1 255.277 2.508 20 30 CFEDMM C[C@@]1(CN=c2[n-]c(C#N)c(Cl)s2)CCCS1 ZINC000596161083 349813425 /nfs/dbraw/zinc/81/34/25/349813425.db2.gz DDWMSZUDIGCZPP-JTQLQIEISA-N -1 1 273.814 2.788 20 30 CFEDMM CC(C)[C@H]1C[C@@H](N=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596185401 349820693 /nfs/dbraw/zinc/82/06/93/349820693.db2.gz QPDDPQVGDQQFQW-WCBMZHEXSA-N -1 1 285.800 2.706 20 30 CFEDMM CC(C)[C@H]1C[C@H](N=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596185399 349820963 /nfs/dbraw/zinc/82/09/63/349820963.db2.gz QPDDPQVGDQQFQW-PSASIEDQSA-N -1 1 285.800 2.706 20 30 CFEDMM COCC1CCC(N=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596270430 349848543 /nfs/dbraw/zinc/84/85/43/349848543.db2.gz GPMNSJGSWXMIAR-UHFFFAOYSA-N -1 1 285.800 2.707 20 30 CFEDMM C=C(C)[C@@H](CC(=O)[N-]OCc1ccc(F)cc1)OCC ZINC000273272151 192094616 /nfs/dbraw/zinc/09/46/16/192094616.db2.gz HMKWTLMNVHCYID-CQSZACIVSA-N -1 1 281.327 2.745 20 30 CFEDMM Cc1c(C#N)cccc1NC(=O)c1ccccc1[O-] ZINC000178407270 232379410 /nfs/dbraw/zinc/37/94/10/232379410.db2.gz KMQXAXFPXYOKLY-UHFFFAOYSA-N -1 1 252.273 2.825 20 30 CFEDMM CCCc1nnc([N-]C(=O)c2snnc2CC)s1 ZINC000026840394 346267265 /nfs/dbraw/zinc/26/72/65/346267265.db2.gz FRNNQNIICUXKGR-UHFFFAOYSA-N -1 1 283.382 2.541 20 30 CFEDMM N#Cc1cc(-c2nnc(C3CC3)n2C2CC2)ccc1[O-] ZINC000596634942 349963459 /nfs/dbraw/zinc/96/34/59/349963459.db2.gz SFJVMHQEQUBNQV-UHFFFAOYSA-N -1 1 266.304 2.735 20 30 CFEDMM CCCc1cc(=O)[n-]c(SCC2(CC#N)CC2)n1 ZINC000088259668 347500881 /nfs/dbraw/zinc/50/08/81/347500881.db2.gz MRJJEMCQUCFELN-UHFFFAOYSA-N -1 1 263.366 2.508 20 30 CFEDMM N#C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1F ZINC000094102819 347691519 /nfs/dbraw/zinc/69/15/19/347691519.db2.gz KWYLCUNPPHODQU-CYBMUJFWSA-N -1 1 288.253 2.665 20 30 CFEDMM CCN(C[C@H](C)C#N)C(=O)c1ncc2ccccc2c1[O-] ZINC000596825821 349993870 /nfs/dbraw/zinc/99/38/70/349993870.db2.gz GQYRZTLBGCWKED-LLVKDONJSA-N -1 1 283.331 2.562 20 30 CFEDMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589181237 348816974 /nfs/dbraw/zinc/81/69/74/348816974.db2.gz XSGDKAAKBMABGP-DIFFPNOSSA-N -1 1 292.338 2.927 20 30 CFEDMM CC[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589185041 348817054 /nfs/dbraw/zinc/81/70/54/348817054.db2.gz RHIBKZAMZXESQZ-SMDDNHRTSA-N -1 1 272.348 2.962 20 30 CFEDMM CC[C@]1(C)CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589187665 348817097 /nfs/dbraw/zinc/81/70/97/348817097.db2.gz HPGVPNMOKRFMRZ-MRXNPFEDSA-N -1 1 272.348 2.916 20 30 CFEDMM Cc1ccc(CC[C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000589187333 348817326 /nfs/dbraw/zinc/81/73/26/348817326.db2.gz XIXYENATTZBUTG-NSHDSACASA-N -1 1 298.342 2.916 20 30 CFEDMM CCc1ncsc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589194961 348817940 /nfs/dbraw/zinc/81/79/40/348817940.db2.gz GUIFECPBSDUCCV-UHFFFAOYSA-N -1 1 273.317 2.535 20 30 CFEDMM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589197223 348819077 /nfs/dbraw/zinc/81/90/77/348819077.db2.gz HKVPDAHFIISTFX-GXFFZTMASA-N -1 1 258.321 2.667 20 30 CFEDMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc([O-])cc(C#N)c3)C2)C1 ZINC000589199835 348819189 /nfs/dbraw/zinc/81/91/89/348819189.db2.gz OYWBDAHFSKSJCJ-SJKOYZFVSA-N -1 1 284.359 2.916 20 30 CFEDMM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C[C@@H]1C ZINC000589203658 348819921 /nfs/dbraw/zinc/81/99/21/348819921.db2.gz OFQLDDXQHULFMC-SUNKGSAMSA-N -1 1 272.348 2.818 20 30 CFEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC(C)(C)C1 ZINC000589201651 348820070 /nfs/dbraw/zinc/82/00/70/348820070.db2.gz BPUWURJPSHGLCZ-LLVKDONJSA-N -1 1 272.348 2.772 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](C3CC3)C2)c1 ZINC000589526226 348838131 /nfs/dbraw/zinc/83/81/31/348838131.db2.gz LXPBGRPQWPZHOG-CYBMUJFWSA-N -1 1 270.332 2.526 20 30 CFEDMM CCCC[C@H](C)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589670970 348850064 /nfs/dbraw/zinc/85/00/64/348850064.db2.gz XKJKHPISUGVTPM-NSHDSACASA-N -1 1 260.337 2.915 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC23CCC(CC2)CC3)c1 ZINC000590873903 348960509 /nfs/dbraw/zinc/96/05/09/348960509.db2.gz QCRQFGFLBVBNLT-UHFFFAOYSA-N -1 1 270.332 2.716 20 30 CFEDMM CC1(CC(F)(F)F)CN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000590889537 348963029 /nfs/dbraw/zinc/96/30/29/348963029.db2.gz AGKPBSKESLNROZ-UHFFFAOYSA-N -1 1 298.264 2.678 20 30 CFEDMM CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CC1(C)C ZINC000591321488 349009231 /nfs/dbraw/zinc/00/92/31/349009231.db2.gz RMCBDHGVCXVMIL-UONOGXRCSA-N -1 1 272.348 2.818 20 30 CFEDMM Cc1ccc(-c2noc(=NCC3(C#N)CCCC3)[n-]2)cc1 ZINC000593485372 349281244 /nfs/dbraw/zinc/28/12/44/349281244.db2.gz XGXJNEIUHHJJEJ-UHFFFAOYSA-N -1 1 282.347 2.963 20 30 CFEDMM Cc1ccc(-c2nc(=NCC3(C#N)CCCC3)o[n-]2)cc1 ZINC000593485372 349281246 /nfs/dbraw/zinc/28/12/46/349281246.db2.gz XGXJNEIUHHJJEJ-UHFFFAOYSA-N -1 1 282.347 2.963 20 30 CFEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H](C)C(C)C ZINC000594360443 349410546 /nfs/dbraw/zinc/41/05/46/349410546.db2.gz CJPPTWZYNGLOLU-NSHDSACASA-N -1 1 260.337 2.770 20 30 CFEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)CC#N)c1 ZINC000597478243 350101880 /nfs/dbraw/zinc/10/18/80/350101880.db2.gz RSCQZTULRCGFHC-QMMMGPOBSA-N -1 1 297.152 2.951 20 30 CFEDMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])cc(C#N)c1 ZINC000598445883 350270293 /nfs/dbraw/zinc/27/02/93/350270293.db2.gz UBEFJCODQVGNGP-FTNCPSPGSA-N -1 1 270.332 2.667 20 30 CFEDMM N#Cc1ccc(C(=O)N(CCC2CC2)CC2CC2)cc1[O-] ZINC000598467552 350272969 /nfs/dbraw/zinc/27/29/69/350272969.db2.gz ALGINZAWOTWBTG-UHFFFAOYSA-N -1 1 284.359 2.916 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2[nH]cc(C)c2c1 ZINC000600658561 350593730 /nfs/dbraw/zinc/59/37/30/350593730.db2.gz LGXDRMAJWWQQKS-NSHDSACASA-N -1 1 277.349 2.520 20 30 CFEDMM N#CCCCCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000600674745 350594859 /nfs/dbraw/zinc/59/48/59/350594859.db2.gz HFSFJUWPGCGZET-UHFFFAOYSA-N -1 1 298.346 2.990 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCC23CC3)cc1[O-] ZINC000600801091 350614389 /nfs/dbraw/zinc/61/43/89/350614389.db2.gz AOCNKVCSHQHJLK-ZDUSSCGKSA-N -1 1 270.332 2.574 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCCC23CC3)c1 ZINC000600801540 350614402 /nfs/dbraw/zinc/61/44/02/350614402.db2.gz CEGMVVDJFRTOPA-ZDUSSCGKSA-N -1 1 270.332 2.574 20 30 CFEDMM C=CCSCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601020280 350646745 /nfs/dbraw/zinc/64/67/45/350646745.db2.gz WRUATRVDQIFVKD-UHFFFAOYSA-N -1 1 285.796 2.624 20 30 CFEDMM N#CCN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000601205943 350696730 /nfs/dbraw/zinc/69/67/30/350696730.db2.gz KIKHPHFGWXXIQF-UHFFFAOYSA-N -1 1 292.766 2.883 20 30 CFEDMM C=C1CC(C)(C(=O)Nc2nc3cccc(C(=O)OC)c3[nH]2)C1 ZINC000601353727 350725807 /nfs/dbraw/zinc/72/58/07/350725807.db2.gz RLPCUNRMVMKLED-UHFFFAOYSA-N -1 1 299.330 2.644 20 30 CFEDMM C[C@@H](CC1CCC1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000601868712 350794562 /nfs/dbraw/zinc/79/45/62/350794562.db2.gz GKIZDSJTSPXCPP-JTQLQIEISA-N -1 1 258.321 2.572 20 30 CFEDMM C=C(C)C[C@@H](NCc1cccc([O-])c1Cl)C(=O)OC ZINC000602734591 351006547 /nfs/dbraw/zinc/00/65/47/351006547.db2.gz PQAGKRKXPCQSGA-LLVKDONJSA-N -1 1 283.755 2.643 20 30 CFEDMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(C#N)c1 ZINC000613511388 351972698 /nfs/dbraw/zinc/97/26/98/351972698.db2.gz OEMQTPGDATWQCH-SNVBAGLBSA-N -1 1 284.290 2.894 20 30 CFEDMM COc1ccccc1CN(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293096 352076371 /nfs/dbraw/zinc/07/63/71/352076371.db2.gz VKHKWPXZNZCBOC-UHFFFAOYSA-N -1 1 296.326 2.545 20 30 CFEDMM COc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614294189 352076423 /nfs/dbraw/zinc/07/64/23/352076423.db2.gz XFRDFJXIBQPWGN-UHFFFAOYSA-N -1 1 268.272 2.525 20 30 CFEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614293219 352076316 /nfs/dbraw/zinc/07/63/16/352076316.db2.gz CIGGVHYAXQSRDN-UHFFFAOYSA-N -1 1 252.273 2.825 20 30 CFEDMM CCC1(CNC(=O)c2cc([O-])cc(C#N)c2)CCC1 ZINC000614300369 352077070 /nfs/dbraw/zinc/07/70/70/352077070.db2.gz GGZNBBVKCKDMHL-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1C ZINC000614357052 352084050 /nfs/dbraw/zinc/08/40/50/352084050.db2.gz NGAQPYOUAZEIHD-HFAKWTLXSA-N -1 1 272.348 2.818 20 30 CFEDMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614371740 352086314 /nfs/dbraw/zinc/08/63/14/352086314.db2.gz VCUVIMMDFQOPKC-NSHDSACASA-N -1 1 296.326 2.803 20 30 CFEDMM CCC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccn1 ZINC000615428168 352192092 /nfs/dbraw/zinc/19/20/92/352192092.db2.gz DHFKCFOSZDGCSJ-HNNXBMFYSA-N -1 1 295.342 2.930 20 30 CFEDMM CCN(Cc1ccoc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000615431313 352192138 /nfs/dbraw/zinc/19/21/38/352192138.db2.gz DONGIEMZHPDFGM-UHFFFAOYSA-N -1 1 270.288 2.519 20 30 CFEDMM Cc1cc(F)ccc1CN(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000617165812 352503169 /nfs/dbraw/zinc/50/31/69/352503169.db2.gz BZYJVAPFVOSHBS-UHFFFAOYSA-N -1 1 298.317 2.984 20 30 CFEDMM C=CCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000617618326 352605803 /nfs/dbraw/zinc/60/58/03/352605803.db2.gz LFLGDFCBKNWKCP-UHFFFAOYSA-N -1 1 259.227 2.717 20 30 CFEDMM CCc1cc(=O)[n-]c(S[C@@H](C#N)Cc2ccccc2)n1 ZINC000618148175 352722998 /nfs/dbraw/zinc/72/29/98/352722998.db2.gz JMTJMGJSTSBLRW-CYBMUJFWSA-N -1 1 285.372 2.972 20 30 CFEDMM CN(C)c1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000618926637 352913623 /nfs/dbraw/zinc/91/36/23/352913623.db2.gz JINWBGICJDXXSQ-UHFFFAOYSA-N -1 1 281.315 2.582 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2C(F)F)c1 ZINC000619730712 353061345 /nfs/dbraw/zinc/06/13/45/353061345.db2.gz VACDQSVXDMLQFU-LBPRGKRZSA-N -1 1 280.274 2.524 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3cc(F)ccc32)c1 ZINC000619781806 353066676 /nfs/dbraw/zinc/06/66/76/353066676.db2.gz LYAVYUCENMYCFH-UHFFFAOYSA-N -1 1 282.274 2.606 20 30 CFEDMM C=CC(C)(C)CCNC(=O)c1ccc([O-])cc1F ZINC000628314745 354539751 /nfs/dbraw/zinc/53/97/51/354539751.db2.gz LQCYMHFUXSFCFI-UHFFFAOYSA-N -1 1 251.301 2.863 20 30 CFEDMM C=CC[C@@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631343554 355406940 /nfs/dbraw/zinc/40/69/40/355406940.db2.gz FLWNKWSKFMDKBO-SECBINFHSA-N -1 1 253.729 2.669 20 30 CFEDMM C=CCC1([N-]S(=O)(=O)c2cc(C)ns2)CCCC1 ZINC000632562544 355715631 /nfs/dbraw/zinc/71/56/31/355715631.db2.gz SGDRCBRPOSKFFL-UHFFFAOYSA-N -1 1 286.422 2.619 20 30 CFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427110012 239284859 /nfs/dbraw/zinc/28/48/59/239284859.db2.gz XDBLIXPQFFUTFZ-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443274629 241049626 /nfs/dbraw/zinc/04/96/26/241049626.db2.gz OBYXBTZVGWOXSZ-MNOVXSKESA-N -1 1 260.337 2.818 20 30 CFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H]1CCC[C@@H](C)C1 ZINC000452086449 243039649 /nfs/dbraw/zinc/03/96/49/243039649.db2.gz XPMJYFVIPOZXCZ-WOPDTQHZSA-N -1 1 296.392 2.644 20 30 CFEDMM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000330671456 203099738 /nfs/dbraw/zinc/09/97/38/203099738.db2.gz MVNQBXKGJKPQKQ-NSHDSACASA-N -1 1 284.381 2.644 20 30 CFEDMM C[C@@H]1CCC[C@H](CC[N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000330679437 203107585 /nfs/dbraw/zinc/10/75/85/203107585.db2.gz XPXOGZBJUVANRV-VXGBXAGGSA-N -1 1 296.392 2.646 20 30 CFEDMM CCCN(CC#N)C(=O)c1ccc2ccccc2c1[O-] ZINC000045092346 373014652 /nfs/dbraw/zinc/01/46/52/373014652.db2.gz JVKOVNDPSAZULX-UHFFFAOYSA-N -1 1 268.316 2.921 20 30 CFEDMM Cc1ccc(C#N)cc1NC(=O)c1ccccc1[O-] ZINC000050212860 373363670 /nfs/dbraw/zinc/36/36/70/373363670.db2.gz XGUHJFPISXAUOH-UHFFFAOYSA-N -1 1 252.273 2.825 20 30 CFEDMM N#Cc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000055464129 373553850 /nfs/dbraw/zinc/55/38/50/373553850.db2.gz KFZSJEQQHJWIHH-UHFFFAOYSA-N -1 1 286.718 2.847 20 30 CFEDMM N#Cc1cccc(CNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000055464106 373554728 /nfs/dbraw/zinc/55/47/28/373554728.db2.gz FOSXTGXWBCCEKY-UHFFFAOYSA-N -1 1 286.718 2.847 20 30 CFEDMM N#CC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000061637332 373724159 /nfs/dbraw/zinc/72/41/59/373724159.db2.gz KRAZUHRBOWVLEN-UHFFFAOYSA-N -1 1 280.327 2.921 20 30 CFEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000063094253 373784702 /nfs/dbraw/zinc/78/47/02/373784702.db2.gz GFIUZJOFTGPIGJ-NSHDSACASA-N -1 1 268.316 2.920 20 30 CFEDMM C[C@@H](CC#N)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000063096302 373784732 /nfs/dbraw/zinc/78/47/32/373784732.db2.gz RGBMFHFSFWQIAS-NSHDSACASA-N -1 1 268.316 2.920 20 30 CFEDMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000070431878 374173748 /nfs/dbraw/zinc/17/37/48/374173748.db2.gz DYPFWFRAJQFFLX-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM CC[C@@H](C#N)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000331214835 378652081 /nfs/dbraw/zinc/65/20/81/378652081.db2.gz CBJULICYVHXPRY-YFKPBYRVSA-N -1 1 263.244 2.595 20 30 CFEDMM N#Cc1ccc(C(=O)NCC2CCC(F)(F)CC2)cc1[O-] ZINC000334407653 379245869 /nfs/dbraw/zinc/24/58/69/379245869.db2.gz RJBVXEUOKHGUDW-UHFFFAOYSA-N -1 1 294.301 2.819 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC(c3ccccc3F)C2)cc1[O-] ZINC000334604973 379608896 /nfs/dbraw/zinc/60/88/96/379608896.db2.gz MYBSTORDTHVFCN-UHFFFAOYSA-N -1 1 296.301 2.643 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000335203021 380001445 /nfs/dbraw/zinc/00/14/45/380001445.db2.gz JELBHEBVQWYBEG-SSDOTTSWSA-N -1 1 294.710 2.662 20 30 CFEDMM C=C1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000264480042 383744625 /nfs/dbraw/zinc/74/46/25/383744625.db2.gz PSQVUSIARNRRNP-UHFFFAOYSA-N -1 1 271.316 2.651 20 30 CFEDMM N#Cc1cccc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000342265685 381235941 /nfs/dbraw/zinc/23/59/41/381235941.db2.gz SLENHOUKTOFQGD-UHFFFAOYSA-N -1 1 294.339 2.684 20 30 CFEDMM C=C(CC)CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000343540591 381784832 /nfs/dbraw/zinc/78/48/32/381784832.db2.gz BQXZNLMCGUKHTK-UHFFFAOYSA-N -1 1 263.366 2.795 20 30 CFEDMM C=CCCCS(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000293114592 381994684 /nfs/dbraw/zinc/99/46/84/381994684.db2.gz XOFVXOCWZZJAKA-GFCCVEGCSA-N -1 1 289.347 2.878 20 30 CFEDMM Cc1ccc(-c2noc(=NCC3(C#N)CCC3)[n-]2)cc1 ZINC000419020962 382219330 /nfs/dbraw/zinc/21/93/30/382219330.db2.gz LHDUKUXSCWJQRE-UHFFFAOYSA-N -1 1 268.320 2.573 20 30 CFEDMM Cc1ccc(-c2nc(=NCC3(C#N)CCC3)o[n-]2)cc1 ZINC000419020962 382219336 /nfs/dbraw/zinc/21/93/36/382219336.db2.gz LHDUKUXSCWJQRE-UHFFFAOYSA-N -1 1 268.320 2.573 20 30 CFEDMM C[C@@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344191265 382189195 /nfs/dbraw/zinc/18/91/95/382189195.db2.gz UKDQDSZOTALTMS-PWSUYJOCSA-N -1 1 296.392 2.644 20 30 CFEDMM N#Cc1ccc(C(=O)NC2(c3cccc(F)c3)CC2)cc1[O-] ZINC000188490680 382423138 /nfs/dbraw/zinc/42/31/38/382423138.db2.gz QNVAAIZTOZLMHF-UHFFFAOYSA-N -1 1 296.301 2.822 20 30 CFEDMM Cc1cc(C)cc(CCNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188503598 382426099 /nfs/dbraw/zinc/42/60/99/382426099.db2.gz VHRZSZVRTOSOKV-UHFFFAOYSA-N -1 1 294.354 2.853 20 30 CFEDMM Cc1cnc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)s1 ZINC000188620239 382444596 /nfs/dbraw/zinc/44/45/96/382444596.db2.gz RWQVVYZKQNLLKR-SECBINFHSA-N -1 1 287.344 2.520 20 30 CFEDMM CC1(C)CCCC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188731164 382465740 /nfs/dbraw/zinc/46/57/40/382465740.db2.gz NIFNHPBSDOLLGT-AWEZNQCLSA-N -1 1 272.348 2.962 20 30 CFEDMM C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000189006760 382522727 /nfs/dbraw/zinc/52/27/27/382522727.db2.gz YBHJVOSJKOSOHG-VXGBXAGGSA-N -1 1 272.348 2.772 20 30 CFEDMM CC1(NC(=O)c2ccc(C#N)c([O-])c2)Cc2ccccc2C1 ZINC000189086893 382539112 /nfs/dbraw/zinc/53/91/12/382539112.db2.gz INEJGVRCHSNQQR-UHFFFAOYSA-N -1 1 292.338 2.551 20 30 CFEDMM COc1cccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000442619735 382938935 /nfs/dbraw/zinc/93/89/35/382938935.db2.gz HYFDTMBUSRRIQN-LLVKDONJSA-N -1 1 296.326 2.763 20 30 CFEDMM CC(C)N(Cc1ccco1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442649010 382941369 /nfs/dbraw/zinc/94/13/69/382941369.db2.gz NKCSFGFMVPJOMV-UHFFFAOYSA-N -1 1 284.315 2.908 20 30 CFEDMM Cn1cc(C#N)cc1C(=O)Nc1c([O-])cccc1Cl ZINC000552779843 383091019 /nfs/dbraw/zinc/09/10/19/383091019.db2.gz JFHKOHFPFLLDQG-UHFFFAOYSA-N -1 1 275.695 2.508 20 30 CFEDMM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553483759 383110006 /nfs/dbraw/zinc/11/00/06/383110006.db2.gz YMDDAVRSXWIMBI-WCQYABFASA-N -1 1 296.392 2.788 20 30 CFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425215759 383341507 /nfs/dbraw/zinc/34/15/07/383341507.db2.gz JNWZCEKGRFENNF-SECBINFHSA-N -1 1 275.320 2.516 20 30 CFEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000568860687 383443465 /nfs/dbraw/zinc/44/34/65/383443465.db2.gz FOORVXFYUWKRIM-UHFFFAOYSA-N -1 1 296.417 2.787 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@@H](C3CCCC3)C2)cc1[O-] ZINC000573315397 383908262 /nfs/dbraw/zinc/90/82/62/383908262.db2.gz PYJAIQXNBZSUSY-OAHLLOKOSA-N -1 1 284.359 2.916 20 30 CFEDMM C=C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436753444 383890768 /nfs/dbraw/zinc/89/07/68/383890768.db2.gz UQZAFGPGWICSIK-SSDOTTSWSA-N -1 1 259.227 2.715 20 30 CFEDMM CC(C)Oc1ccc(C(=O)C(C#N)c2ccccn2)nc1 ZINC000573289432 383904016 /nfs/dbraw/zinc/90/40/16/383904016.db2.gz OCBZEGVLSVEHIV-CYBMUJFWSA-N -1 1 281.315 2.754 20 30 CFEDMM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000286752582 385704051 /nfs/dbraw/zinc/70/40/51/385704051.db2.gz DHMKKGPMCTVRDU-JTQLQIEISA-N -1 1 284.381 2.644 20 30 CFEDMM C=CCCCCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000274719422 385856407 /nfs/dbraw/zinc/85/64/07/385856407.db2.gz RZBVEKOQYHHTDQ-UHFFFAOYSA-N -1 1 291.395 2.874 20 30 CFEDMM C#C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(C)C ZINC000304190819 260002682 /nfs/dbraw/zinc/00/26/82/260002682.db2.gz URRBRLMISMNEQM-NSHDSACASA-N -1 1 296.164 2.542 20 30 CFEDMM C#CCN(C(=O)c1cc(F)ccc1[O-])C1CCCC1 ZINC000092598452 393790337 /nfs/dbraw/zinc/79/03/37/393790337.db2.gz ZXNYMJGDDWTQNT-UHFFFAOYSA-N -1 1 261.296 2.549 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000416964974 393947217 /nfs/dbraw/zinc/94/72/17/393947217.db2.gz UEQXITAWFKLELR-NSHDSACASA-N -1 1 288.319 2.842 20 30 CFEDMM N#Cc1ccsc1C(=O)Nc1cccc([O-])c1F ZINC000128821978 394076927 /nfs/dbraw/zinc/07/69/27/394076927.db2.gz JAZJLPYQHDQUSJ-UHFFFAOYSA-N -1 1 262.265 2.717 20 30 CFEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ncccc1[O-] ZINC000153629789 394287235 /nfs/dbraw/zinc/28/72/35/394287235.db2.gz MJJOGEVNKLHCEY-UHFFFAOYSA-N -1 1 298.342 2.624 20 30 CFEDMM C=CC[C@H]1CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000656759667 413190316 /nfs/dbraw/zinc/19/03/16/413190316.db2.gz JDLVNOOTENKOFG-JTQLQIEISA-N -1 1 266.366 2.629 20 30 CFEDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1C ZINC000344823425 162128893 /nfs/dbraw/zinc/12/88/93/162128893.db2.gz LMWKXZVYWXONTN-UTUOFQBUSA-N -1 1 296.392 2.502 20 30 CFEDMM CC(C)(C)C(C)(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000350785285 163106435 /nfs/dbraw/zinc/10/64/35/163106435.db2.gz IQFLZEYAWQXWME-UHFFFAOYSA-N -1 1 260.337 2.818 20 30 CFEDMM [O-]/N=C/c1ccc(-c2cccc(CO)c2F)cc1F ZINC001243142355 782012664 /nfs/dbraw/zinc/01/26/64/782012664.db2.gz MIZGHZFKBGPEKP-REZTVBANSA-N -1 1 263.243 2.932 20 30 CFEDMM C=C(CC)CNC(=O)c1ccc(Br)c([O-])c1 ZINC000313500282 260299508 /nfs/dbraw/zinc/29/95/08/260299508.db2.gz QFCOCTNCFUNVPI-UHFFFAOYSA-N -1 1 284.153 2.851 20 30 CFEDMM CC(C)(C#N)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000111776139 261542966 /nfs/dbraw/zinc/54/29/66/261542966.db2.gz YXHCNFLJTRMTTH-UHFFFAOYSA-N -1 1 281.315 2.841 20 30 CFEDMM N#CC1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCC1 ZINC000271919003 263000394 /nfs/dbraw/zinc/00/03/94/263000394.db2.gz HCUJYYCBUMKUNP-UHFFFAOYSA-N -1 1 284.237 2.587 20 30 CFEDMM CCN(CCC#N)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271979633 263000832 /nfs/dbraw/zinc/00/08/32/263000832.db2.gz JCUHMLWIUVHWAB-UHFFFAOYSA-N -1 1 286.253 2.787 20 30 CFEDMM N#C[C@@H](NC(=O)c1c([O-])cccc1F)C1CCCCC1 ZINC000187689883 263265508 /nfs/dbraw/zinc/26/55/08/263265508.db2.gz BNTMIVBMOIBKMA-GFCCVEGCSA-N -1 1 276.311 2.734 20 30 CFEDMM COc1cc(C(=O)N[C@]2(C)CCO[C@@H]2C)cc(Cl)c1[O-] ZINC000331266924 264167881 /nfs/dbraw/zinc/16/78/81/264167881.db2.gz IEEDVUWEZDVHGX-XLKFXECMSA-N -1 1 299.754 2.926 20 30 CFEDMM C=CCC1(C(=O)Nc2ccc([O-])c(F)c2F)CCOCC1 ZINC000424866275 264240473 /nfs/dbraw/zinc/24/04/73/264240473.db2.gz OEJASSVHRLYAAM-UHFFFAOYSA-N -1 1 297.301 2.982 20 30 CFEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(F)ccc2[O-])C1 ZINC000094153540 265220871 /nfs/dbraw/zinc/22/08/71/265220871.db2.gz WKSJSPNSLCUCHG-BMIGLBTASA-N -1 1 276.311 2.734 20 30 CFEDMM N#Cc1csc(CSc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000515003670 268319328 /nfs/dbraw/zinc/31/93/28/268319328.db2.gz DBVGHZPCHZKXJJ-UHFFFAOYSA-N -1 1 290.373 2.680 20 30 CFEDMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000249033313 281045167 /nfs/dbraw/zinc/04/51/67/281045167.db2.gz BQZQCSYLLVJPBN-HBYGRHMLSA-N -1 1 272.348 2.818 20 30 CFEDMM Cc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1C(=O)[O-] ZINC001243194994 782055887 /nfs/dbraw/zinc/05/58/87/782055887.db2.gz FRJGSIRLOPMKBV-UHFFFAOYSA-N -1 1 278.271 2.503 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)cc1[O-] ZINC000336179097 303188963 /nfs/dbraw/zinc/18/89/63/303188963.db2.gz NHRAORWFILWKOG-LLVKDONJSA-N -1 1 280.274 2.572 20 30 CFEDMM CCN(CC#N)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000267402553 328178397 /nfs/dbraw/zinc/17/83/97/328178397.db2.gz RELZKJHJHYNZER-UHFFFAOYSA-N -1 1 266.728 2.594 20 30 CFEDMM C[C@@H](CCC#N)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000278602829 328228170 /nfs/dbraw/zinc/22/81/70/328228170.db2.gz LYICVROUSDNAPR-VIFPVBQESA-N -1 1 276.365 2.521 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1[O-] ZINC000188387347 324014149 /nfs/dbraw/zinc/01/41/49/324014149.db2.gz FWELNUVSVYEQRW-LSDHHAIUSA-N -1 1 296.301 2.689 20 30 CFEDMM Cc1nc(SCC(C)(C)CC#N)[n-]c(=O)c1C ZINC000584064493 326914133 /nfs/dbraw/zinc/91/41/33/326914133.db2.gz FADCBKZYWVQRTF-UHFFFAOYSA-N -1 1 251.355 2.831 20 30 CFEDMM CC[C@](C)(C#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000151784989 327504861 /nfs/dbraw/zinc/50/48/61/327504861.db2.gz QGIHVTNKKKULBY-MRXNPFEDSA-N -1 1 268.316 2.967 20 30 CFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000185652935 329328328 /nfs/dbraw/zinc/32/83/28/329328328.db2.gz TXIMWFLDMXNVDU-MRVPVSSYSA-N -1 1 277.748 2.722 20 30 CFEDMM C=CCN(CCc1ccco1)C(=O)c1ccc([O-])cc1F ZINC000436982690 330690202 /nfs/dbraw/zinc/69/02/02/330690202.db2.gz HNNPMHCTXXWDSN-UHFFFAOYSA-N -1 1 289.306 2.995 20 30 CFEDMM CC#CCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456783747 331203705 /nfs/dbraw/zinc/20/37/05/331203705.db2.gz LCNXIKKGYXEUJE-UHFFFAOYSA-N -1 1 253.248 2.803 20 30 CFEDMM C=CC[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C1CC1 ZINC000459473911 331283713 /nfs/dbraw/zinc/28/37/13/331283713.db2.gz PHFJETQWCYXCDX-UHFFFAOYSA-N -1 1 281.359 3.000 20 30 CFEDMM C#CCN(CC#CC)C(=O)c1ccc2ccccc2c1[O-] ZINC000490914844 332128707 /nfs/dbraw/zinc/12/87/07/332128707.db2.gz JPNZMGPUONQVKW-UHFFFAOYSA-N -1 1 277.323 2.644 20 30 CFEDMM C#CCN(C(=O)c1ncc(C)cc1[O-])C1CCCCC1 ZINC000491043384 332142073 /nfs/dbraw/zinc/14/20/73/332142073.db2.gz AYIBFBVOUBBNCP-UHFFFAOYSA-N -1 1 272.348 2.504 20 30 CFEDMM CC1(C#N)CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000227516454 333284134 /nfs/dbraw/zinc/28/41/34/333284134.db2.gz JSJFUCSVDJLODE-UHFFFAOYSA-N -1 1 278.739 2.811 20 30 CFEDMM N#Cc1nc(-c2cc(Cl)cc(C(=O)[O-])c2)cc2[nH]cnc21 ZINC001243322585 782137588 /nfs/dbraw/zinc/13/75/88/782137588.db2.gz IGKMPTKTANORCF-UHFFFAOYSA-N -1 1 298.689 2.848 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCCC2(F)F)cc1[O-] ZINC000336306060 526597941 /nfs/dbraw/zinc/59/79/41/526597941.db2.gz HVTFZFFNUOKSFV-GFCCVEGCSA-N -1 1 294.301 2.819 20 30 CFEDMM C=C1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000731052565 574108760 /nfs/dbraw/zinc/10/87/60/574108760.db2.gz XSWFLPIMEASIOO-UHFFFAOYSA-N -1 1 251.713 2.838 20 30 CFEDMM C=CCCCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000748235486 574241569 /nfs/dbraw/zinc/24/15/69/574241569.db2.gz OBOPVQOGCWMTQI-UHFFFAOYSA-N -1 1 288.299 2.898 20 30 CFEDMM CC(C)(C)[C@](C)(C#N)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756748025 574260592 /nfs/dbraw/zinc/26/05/92/574260592.db2.gz PIJVWNYERZNOOD-NSHDSACASA-N -1 1 287.335 2.679 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCc3cc(Cl)ccc32)n1 ZINC000743418167 574362996 /nfs/dbraw/zinc/36/29/96/574362996.db2.gz ABKSLFIHVKDSDY-UHFFFAOYSA-N -1 1 288.738 2.906 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2C2CC2)c(=O)o1 ZINC000751031671 574368602 /nfs/dbraw/zinc/36/86/02/574368602.db2.gz BDETXWDHIMCBDY-XZVRFQMRSA-N -1 1 296.322 2.792 20 30 CFEDMM CC(=NNC(=S)N[C@H](C)C1CC1)c1ccc(F)cc1[O-] ZINC000751529532 574378395 /nfs/dbraw/zinc/37/83/95/574378395.db2.gz BCZZVJFNZXMOMH-MRVPVSSYSA-N -1 1 295.383 2.518 20 30 CFEDMM O=C(C=Cc1ccc([O-])c(F)c1)c1cc[nH]c(=O)c1 ZINC000752874076 574395997 /nfs/dbraw/zinc/39/59/97/574395997.db2.gz CIGQSGRPQMYRCK-IWQZZHSRSA-N -1 1 259.236 2.528 20 30 CFEDMM [O-]c1c(Cl)cccc1CN=Nc1ccc(Cl)nn1 ZINC000753162154 574399566 /nfs/dbraw/zinc/39/95/66/574399566.db2.gz NYQXQWYTLNJMBI-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM O=C(C(F)F)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096455 620637641 /nfs/dbraw/zinc/63/76/41/620637641.db2.gz FBJQSRMMDHQJER-UHFFFAOYSA-N -1 1 270.062 2.976 20 30 CFEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1CCCC(=O)[O-] ZINC000821320786 601429411 /nfs/dbraw/zinc/42/94/11/601429411.db2.gz YNUXDPVYVOLMNW-HUUCEWRRSA-N -1 1 272.348 2.623 20 30 CFEDMM O=C([O-])c1cc(C=NNc2nc3ccccc3s2)c[nH]1 ZINC000814684746 601794755 /nfs/dbraw/zinc/79/47/55/601794755.db2.gz GKALCQDBXBTTRI-UHFFFAOYSA-N -1 1 286.316 2.769 20 30 CFEDMM O=C([O-])c1cc(C=[NH+][N-]c2nc3ccccc3s2)c[nH]1 ZINC000814684746 601794756 /nfs/dbraw/zinc/79/47/56/601794756.db2.gz GKALCQDBXBTTRI-UHFFFAOYSA-N -1 1 286.316 2.769 20 30 CFEDMM Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c(O)c1 ZINC000832911040 601826070 /nfs/dbraw/zinc/82/60/70/601826070.db2.gz JIFGROQWTMIESL-DAXSKMNVSA-N -1 1 271.272 2.623 20 30 CFEDMM C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000738947306 602096567 /nfs/dbraw/zinc/09/65/67/602096567.db2.gz VXPOMBJKBXUQKO-ILPVMKRFSA-N -1 1 262.092 2.591 20 30 CFEDMM C=CCN(Cc1cccc(C(=O)[O-])c1C#N)C(C)C ZINC000833376096 604604050 /nfs/dbraw/zinc/60/40/50/604604050.db2.gz NLDNCSYIFFUVMS-UHFFFAOYSA-N -1 1 258.321 2.653 20 30 CFEDMM C=CC1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833371624 604608935 /nfs/dbraw/zinc/60/89/35/604608935.db2.gz STBONRGTRAIFCL-UHFFFAOYSA-N -1 1 270.332 2.654 20 30 CFEDMM C#CC[C@@H](NCc1occc1C(=O)[O-])c1ccccc1 ZINC000833360779 605134471 /nfs/dbraw/zinc/13/44/71/605134471.db2.gz OGJNOPDFXGSUIE-CQSZACIVSA-N -1 1 269.300 2.832 20 30 CFEDMM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)o1 ZINC000822224894 606389092 /nfs/dbraw/zinc/38/90/92/606389092.db2.gz DYFWGXJDVUDWDL-HYXAFXHYSA-N -1 1 286.316 2.726 20 30 CFEDMM O=C(C=Cc1ccsc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403249 608093151 /nfs/dbraw/zinc/09/31/51/608093151.db2.gz NKOYVJDFAHYRRC-OWOJBTEDSA-N -1 1 288.357 2.886 20 30 CFEDMM O=C(C=Cc1ccsc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403249 608093152 /nfs/dbraw/zinc/09/31/52/608093152.db2.gz NKOYVJDFAHYRRC-OWOJBTEDSA-N -1 1 288.357 2.886 20 30 CFEDMM C=CC[C@H]1CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000890554004 617644309 /nfs/dbraw/zinc/64/43/09/617644309.db2.gz GQKQWFNNJJJIFM-LBPRGKRZSA-N -1 1 268.316 2.731 20 30 CFEDMM C#CCCCCCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891619137 617687906 /nfs/dbraw/zinc/68/79/06/617687906.db2.gz VQKBKULWVRNHKW-UHFFFAOYSA-N -1 1 287.363 2.583 20 30 CFEDMM O=C(/C=C\c1cccc2c1OCO2)c1cc(O)ccc1[O-] ZINC000254948770 617695140 /nfs/dbraw/zinc/69/51/40/617695140.db2.gz HBVJNKUMCXITES-XQRVVYSFSA-N -1 1 284.267 2.723 20 30 CFEDMM C#C[C@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000890654455 617739993 /nfs/dbraw/zinc/73/99/93/617739993.db2.gz CHLCCGVWWMJCIG-ZDUSSCGKSA-N -1 1 280.327 2.568 20 30 CFEDMM C#C[C@@H]1CCCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000890657087 617742374 /nfs/dbraw/zinc/74/23/74/617742374.db2.gz JHVYDJWVYZWPOK-LLVKDONJSA-N -1 1 298.317 2.707 20 30 CFEDMM CC(=NOCCOC(C)C)c1ccc(F)cc1[O-] ZINC000812237614 617750736 /nfs/dbraw/zinc/75/07/36/617750736.db2.gz ITFMDYMRVQGSSW-UHFFFAOYSA-N -1 1 255.289 2.697 20 30 CFEDMM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000901309008 620782157 /nfs/dbraw/zinc/78/21/57/620782157.db2.gz YOQGKKHDANCVKB-BZBKMWRSSA-N -1 1 298.333 2.940 20 30 CFEDMM C[C@@H]1CC(NN=Cc2ccc([O-])c(Cl)c2)C[C@@H](C)O1 ZINC000901311064 620782424 /nfs/dbraw/zinc/78/24/24/620782424.db2.gz QUMCXOSNFVUZOH-NXEZZACHSA-N -1 1 282.771 2.925 20 30 CFEDMM CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000901312034 620783194 /nfs/dbraw/zinc/78/31/94/620783194.db2.gz ZEEBCXBTMFTPJC-NXEZZACHSA-N -1 1 280.343 2.801 20 30 CFEDMM CC(=O)Nc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1 ZINC000255616672 618231582 /nfs/dbraw/zinc/23/15/82/618231582.db2.gz BNAKVDGJHMOMCF-YWEYNIOJSA-N -1 1 297.310 2.952 20 30 CFEDMM COC(=O)c1ccc(/C=C/C(=O)c2cc(C)ccc2[O-])o1 ZINC000176956239 618246801 /nfs/dbraw/zinc/24/68/01/618246801.db2.gz OMGSEVMWRRTZBZ-QPJJXVBHSA-N -1 1 286.283 2.976 20 30 CFEDMM O=C(/C=C\c1ccc(O)c(F)c1)c1cc(O)ccc1[O-] ZINC000255871727 618450921 /nfs/dbraw/zinc/45/09/21/618450921.db2.gz IHBVUCANFZXJOU-RJRFIUFISA-N -1 1 274.247 2.839 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NNc2cccc(C)c2)c1 ZINC000726737400 619259452 /nfs/dbraw/zinc/25/94/52/619259452.db2.gz FPDKQAXCGAKCSK-UHFFFAOYSA-N -1 1 284.315 2.933 20 30 CFEDMM C=CCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894511387 619405957 /nfs/dbraw/zinc/40/59/57/619405957.db2.gz LFFQXHMKKDUVGP-UHFFFAOYSA-N -1 1 268.744 2.811 20 30 CFEDMM N#C[C@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000896507234 619752995 /nfs/dbraw/zinc/75/29/95/619752995.db2.gz ZYLJZFZKVITWFK-SNVBAGLBSA-N -1 1 250.729 2.781 20 30 CFEDMM C#CCN(C(=O)c1c([O-])cccc1Cl)C(C)C ZINC000928626485 619827240 /nfs/dbraw/zinc/82/72/40/619827240.db2.gz GTJDCWGPDSAXBL-UHFFFAOYSA-N -1 1 251.713 2.529 20 30 CFEDMM CCN(CCC#N)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896859180 619846527 /nfs/dbraw/zinc/84/65/27/619846527.db2.gz AAQVNNQKUHRWRR-UHFFFAOYSA-N -1 1 284.315 2.627 20 30 CFEDMM CC[C@H](CC#N)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897400174 620102221 /nfs/dbraw/zinc/10/22/21/620102221.db2.gz JXHYGRLJJMMLPA-LLVKDONJSA-N -1 1 284.315 2.673 20 30 CFEDMM Cn1cc(/C=C2/Oc3cc([O-])ccc3C2=O)c(C2CC2)n1 ZINC000899345951 620547246 /nfs/dbraw/zinc/54/72/46/620547246.db2.gz YWKYIXIIQLGRON-MKMNVTDBSA-N -1 1 282.299 2.619 20 30 CFEDMM C#CCc1c(C)[n-]n([C@H]2CCc3c2cccc3F)c1=O ZINC000899356688 620549756 /nfs/dbraw/zinc/54/97/56/620549756.db2.gz QGYZOBJUPKKSGA-ABAIWWIYSA-N -1 1 270.307 2.671 20 30 CFEDMM C#CCc1c(C)[n-]n([C@H]2CCc3c2cccc3F)c1=O ZINC000899356690 620549993 /nfs/dbraw/zinc/54/99/93/620549993.db2.gz QGYZOBJUPKKSGA-NHYWBVRUSA-N -1 1 270.307 2.671 20 30 CFEDMM CCc1nc(SCc2cc(C#N)ccn2)[n-]c(=O)c1C ZINC000901564401 620858847 /nfs/dbraw/zinc/85/88/47/620858847.db2.gz UGXAZRITBZUKSI-UHFFFAOYSA-N -1 1 286.360 2.612 20 30 CFEDMM C[C@H](OCC1CC1)C(=O)N([O-])Cc1ccccc1Cl ZINC000904188566 621545414 /nfs/dbraw/zinc/54/54/14/621545414.db2.gz FCBRYDNECZKIGY-JTQLQIEISA-N -1 1 283.755 2.873 20 30 CFEDMM CC[C@H](C)OCC(=O)N([O-])Cc1ccccc1Cl ZINC000904191428 621546301 /nfs/dbraw/zinc/54/63/01/621546301.db2.gz XZRYUVOMMSGXDO-JTQLQIEISA-N -1 1 271.744 2.873 20 30 CFEDMM C[C@@H]1C[C@@H](C)[C@@H](C(=O)N([O-])Cc2ccccc2Cl)O1 ZINC000904193185 621546880 /nfs/dbraw/zinc/54/68/80/621546880.db2.gz LKXRCHKLVYLLAK-BREBYQMCSA-N -1 1 283.755 2.871 20 30 CFEDMM CCC[C@H](OC)C(=O)N([O-])Cc1ccccc1Cl ZINC000904193873 621547277 /nfs/dbraw/zinc/54/72/77/621547277.db2.gz XTXKANWXTAKEFG-LBPRGKRZSA-N -1 1 271.744 2.873 20 30 CFEDMM N#C[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000905721400 621833040 /nfs/dbraw/zinc/83/30/40/621833040.db2.gz QTDBCISUBWLAHG-LBPRGKRZSA-N -1 1 267.332 2.676 20 30 CFEDMM CC(C)([N-]C(=O)C(F)(F)c1ccccc1C#N)C(F)F ZINC000907878284 622169143 /nfs/dbraw/zinc/16/91/43/622169143.db2.gz SAUUUQBXHXHYPN-UHFFFAOYSA-N -1 1 288.244 2.810 20 30 CFEDMM C=CC(C)(C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000908461703 622232545 /nfs/dbraw/zinc/23/25/45/622232545.db2.gz FLKKSHTTYOSKBM-UHFFFAOYSA-N -1 1 295.191 2.631 20 30 CFEDMM N#CC1(C(=O)Nc2cc(F)cc(F)c2[O-])CCCC1 ZINC000910979856 622493936 /nfs/dbraw/zinc/49/39/36/622493936.db2.gz MLCLDSSYDBLWCX-UHFFFAOYSA-N -1 1 266.247 2.693 20 30 CFEDMM CC(C)(C)C#CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910985991 622495429 /nfs/dbraw/zinc/49/54/29/622495429.db2.gz DRIUUBGQYUSYSQ-UHFFFAOYSA-N -1 1 253.248 2.658 20 30 CFEDMM C[C@@H](C#N)N(C(=O)c1c([O-])cnc2c(F)cccc21)C1CC1 ZINC000912412094 622702845 /nfs/dbraw/zinc/70/28/45/622702845.db2.gz YITSGMBIHNMHOI-VIFPVBQESA-N -1 1 299.305 2.596 20 30 CFEDMM N#CC(=C([O-])C=C[C@H]1CCCO1)c1cnc2ccccc2n1 ZINC000820853562 622774654 /nfs/dbraw/zinc/77/46/54/622774654.db2.gz XLPZVJYIHMPHLL-XRMAHGQMSA-N -1 1 293.326 2.541 20 30 CFEDMM COC(=O)c1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1 ZINC000156662044 622955424 /nfs/dbraw/zinc/95/54/24/622955424.db2.gz VVGOORZLIISLSV-XBXARRHUSA-N -1 1 298.294 2.781 20 30 CFEDMM CNC(=O)c1ccc(/C=C/C(=O)c2cc(C)ccc2[O-])cc1 ZINC000156701841 622957087 /nfs/dbraw/zinc/95/70/87/622957087.db2.gz VFFWLTHRHGTHEH-UXBLZVDNSA-N -1 1 295.338 2.956 20 30 CFEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1cccnc1 ZINC000060364430 623125647 /nfs/dbraw/zinc/12/56/47/623125647.db2.gz APLYUVRHDFZRPO-MDWZMJQESA-N -1 1 251.285 3.000 20 30 CFEDMM Cc1ccc(N=NC(C)c2ccccc2C(=O)[O-])nc1 ZINC000757461364 623484322 /nfs/dbraw/zinc/48/43/22/623484322.db2.gz LXZXVJYQNLNMBK-UHFFFAOYSA-N -1 1 269.304 2.924 20 30 CFEDMM Cc1ccc(-c2cc(C(=O)OCC3(CC#N)CC3)[nH]n2)o1 ZINC000174748028 623795996 /nfs/dbraw/zinc/79/59/96/623795996.db2.gz OCOSBXGQZCVWRG-UHFFFAOYSA-N -1 1 285.303 2.829 20 30 CFEDMM C=CCC1(C(=O)[N-]OCC(F)(F)F)CCCC1 ZINC000827034727 623928436 /nfs/dbraw/zinc/92/84/36/623928436.db2.gz FYOOJDKDGMERFQ-UHFFFAOYSA-N -1 1 251.248 2.733 20 30 CFEDMM CCC(=NOC[C@H]1CCOC1)c1ccc([O-])c(F)c1 ZINC000788034034 623972341 /nfs/dbraw/zinc/97/23/41/623972341.db2.gz NKPGTVQYXJYHEV-JTQLQIEISA-N -1 1 267.300 2.699 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]cnc3c2)n1 ZINC000915100303 623981638 /nfs/dbraw/zinc/98/16/38/623981638.db2.gz REVNHGMXNQOOGZ-JTQLQIEISA-N -1 1 282.328 2.818 20 30 CFEDMM CCc1ccc(C(CC)N=Nc2nnc(C)c(=O)[n-]2)cc1 ZINC000915945355 624192164 /nfs/dbraw/zinc/19/21/64/624192164.db2.gz OZCPHHZMDVDVLB-UHFFFAOYSA-N -1 1 285.351 2.674 20 30 CFEDMM CCc1nc(SCc2cncc(C#N)c2)[n-]c(=O)c1C ZINC000917843893 624388747 /nfs/dbraw/zinc/38/87/47/624388747.db2.gz SVDQYMCWONEXCY-UHFFFAOYSA-N -1 1 286.360 2.612 20 30 CFEDMM Cc1cc(C)nc(N=NCc2ccc([O-])c(Cl)c2)n1 ZINC000921254821 624827298 /nfs/dbraw/zinc/82/72/98/624827298.db2.gz SLBBTGVGFBWTCO-UHFFFAOYSA-N -1 1 276.727 2.898 20 30 CFEDMM C#C[C@H](CCC)NC(=O)c1cc(Br)ccc1[O-] ZINC000233357519 624940496 /nfs/dbraw/zinc/94/04/96/624940496.db2.gz WXSRYKOIMFYADX-SNVBAGLBSA-N -1 1 296.164 2.686 20 30 CFEDMM C=CCC(F)(F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821920 625882901 /nfs/dbraw/zinc/88/29/01/625882901.db2.gz HPOAZNAVKLEPOD-UHFFFAOYSA-N -1 1 275.682 2.873 20 30 CFEDMM CCOC(=O)C(C)(C)ON=C(C)c1ccc(F)cc1[O-] ZINC000835006070 625954605 /nfs/dbraw/zinc/95/46/05/625954605.db2.gz WCABCXBKQDJUHT-UHFFFAOYSA-N -1 1 283.299 2.614 20 30 CFEDMM Cc1ncsc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757472440 626553051 /nfs/dbraw/zinc/55/30/51/626553051.db2.gz HNDDXYITQZEVFG-SNAWJCMRSA-N -1 1 289.312 2.751 20 30 CFEDMM O=C([O-])COc1cccc(/C=C/C(=O)c2ccccc2O)c1 ZINC000757475228 626553240 /nfs/dbraw/zinc/55/32/40/626553240.db2.gz QRLOSTCMDHOTRA-CMDGGOBGSA-N -1 1 298.294 2.752 20 30 CFEDMM COc1ccccc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757473716 626553245 /nfs/dbraw/zinc/55/32/45/626553245.db2.gz ODYHKKYNLHNZEP-SOFGYWHQSA-N -1 1 298.294 2.995 20 30 CFEDMM C#CCCCCNC(=O)c1c([O-])cccc1Cl ZINC000759092553 626628372 /nfs/dbraw/zinc/62/83/72/626628372.db2.gz ALSYHHUDJSPYCP-UHFFFAOYSA-N -1 1 251.713 2.579 20 30 CFEDMM N#CC(=C([O-])C=Cc1cccc(F)c1)c1ccncn1 ZINC000760356545 626739035 /nfs/dbraw/zinc/73/90/35/626739035.db2.gz IFMNBTIQFNBPBV-ZFDPJTLLSA-N -1 1 267.263 2.505 20 30 CFEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C3=CCCC3)nc1-2 ZINC000761213250 626815729 /nfs/dbraw/zinc/81/57/29/626815729.db2.gz CRPODLLAHAEUJR-LLVKDONJSA-N -1 1 266.304 2.553 20 30 CFEDMM CC(=NNc1ccccn1)c1cccc(C(=O)[O-])c1 ZINC000764667007 627081748 /nfs/dbraw/zinc/08/17/48/627081748.db2.gz XLRFWAGVGVVOSH-UHFFFAOYSA-N -1 1 255.277 2.616 20 30 CFEDMM C=C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764795883 627096129 /nfs/dbraw/zinc/09/61/29/627096129.db2.gz BYFYYECZRYTGPJ-QMMMGPOBSA-N -1 1 299.168 2.528 20 30 CFEDMM Cc1cncc(C(C)N=Nc2ccccc2C(=O)[O-])c1 ZINC000767359440 627245002 /nfs/dbraw/zinc/24/50/02/627245002.db2.gz HRXQLWVDQYVLOV-UHFFFAOYSA-N -1 1 269.304 2.924 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cncs1)O2 ZINC000767720493 627280038 /nfs/dbraw/zinc/28/00/38/627280038.db2.gz CAMDSAXNBPRNOX-WCIBSUBMSA-N -1 1 259.286 2.773 20 30 CFEDMM CC(C)C[C@H](C#N)NC(=O)c1c([O-])cccc1Cl ZINC000769752824 627472089 /nfs/dbraw/zinc/47/20/89/627472089.db2.gz KTNYXVVEAZPELB-SECBINFHSA-N -1 1 266.728 2.714 20 30 CFEDMM CCC[C@H](C)C(CC)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769819296 627477713 /nfs/dbraw/zinc/47/77/13/627477713.db2.gz PCQBYDRAOUOGIZ-VIFPVBQESA-N -1 1 290.371 2.683 20 30 CFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000770392009 627518796 /nfs/dbraw/zinc/51/87/96/627518796.db2.gz PYTYUCUZIIUEGF-VIFPVBQESA-N -1 1 289.759 2.559 20 30 CFEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccccc1F ZINC000778532540 628313310 /nfs/dbraw/zinc/31/33/10/628313310.db2.gz OQRYTIDWEANJQD-UHFFFAOYSA-N -1 1 274.299 2.856 20 30 CFEDMM Cn1ncc(Cl)c1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000780189063 628438048 /nfs/dbraw/zinc/43/80/48/628438048.db2.gz USGWGOVFQOIYFF-TWGQIWQCSA-N -1 1 274.707 2.602 20 30 CFEDMM COC(=O)c1occc1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000780188469 628438155 /nfs/dbraw/zinc/43/81/55/628438155.db2.gz RYDXPWMOATWWPF-IZZDOVSWSA-N -1 1 284.267 2.594 20 30 CFEDMM [O-]c1c(Cl)cccc1CN=Nc1ncncc1Cl ZINC000780274618 628449040 /nfs/dbraw/zinc/44/90/40/628449040.db2.gz CDLLOJLONJYOJZ-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM COc1ccc(NN=C(C)c2ccc(C(=O)[O-])cc2)nc1 ZINC000780276003 628449746 /nfs/dbraw/zinc/44/97/46/628449746.db2.gz IXTLROKXXLIUEE-UHFFFAOYSA-N -1 1 285.303 2.625 20 30 CFEDMM [O-]c1ccc(CN=Nc2ncncc2Cl)cc1Cl ZINC000780280081 628450080 /nfs/dbraw/zinc/45/00/80/628450080.db2.gz TZFFVWPJBKSHOC-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM CCON=Cc1cc(C)cc(Br)c1[O-] ZINC000781586068 628563052 /nfs/dbraw/zinc/56/30/52/628563052.db2.gz FVQOUPMSPJBDFI-UHFFFAOYSA-N -1 1 258.115 2.834 20 30 CFEDMM Cc1cc(Br)c([O-])c(C=NN[C@H](C)CC#N)c1 ZINC000781596685 628563786 /nfs/dbraw/zinc/56/37/86/628563786.db2.gz LAUZJROXOLSKBH-SECBINFHSA-N -1 1 296.168 2.689 20 30 CFEDMM CC(CCC(C)(C)C)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000789017742 629117227 /nfs/dbraw/zinc/11/72/27/629117227.db2.gz KLSDUMLHBGAYCP-UHFFFAOYSA-N -1 1 290.371 2.683 20 30 CFEDMM Cc1cccnc1N=NC(C)c1ccccc1C(=O)[O-] ZINC000790193007 629218512 /nfs/dbraw/zinc/21/85/12/629218512.db2.gz NURDZYORETUMHQ-UHFFFAOYSA-N -1 1 269.304 2.924 20 30 CFEDMM N#CC(=C([O-])C=CC1CC1)c1cnc2ccccc2n1 ZINC000792110042 629397983 /nfs/dbraw/zinc/39/79/83/629397983.db2.gz XERAYJLPBHXXSX-QDZRJHCZSA-N -1 1 263.300 2.772 20 30 CFEDMM C=CC[N@@H+](CCOC)Cc1c(O)cccc1Cl ZINC000792193386 629407744 /nfs/dbraw/zinc/40/77/44/629407744.db2.gz UPRGYEAZHCLPLT-UHFFFAOYSA-N -1 1 255.745 2.680 20 30 CFEDMM CSc1ccncc1[N-]C(=O)c1ccc(C#N)o1 ZINC000794377190 629641595 /nfs/dbraw/zinc/64/15/95/629641595.db2.gz VFTVGKIEANFUJX-UHFFFAOYSA-N -1 1 259.290 2.520 20 30 CFEDMM [O-]c1ccc(F)c(C=NOCC(F)(F)F)c1F ZINC000794522856 629653694 /nfs/dbraw/zinc/65/36/94/629653694.db2.gz FRGODKCVWIMKAQ-UHFFFAOYSA-N -1 1 255.142 2.583 20 30 CFEDMM [O-]c1ccc(F)c(C=NOCCC(F)(F)F)c1F ZINC000794537476 629656557 /nfs/dbraw/zinc/65/65/57/629656557.db2.gz WIRQJRJZWBIJHB-UHFFFAOYSA-N -1 1 269.169 2.973 20 30 CFEDMM CSCCON=Cc1ccc([O-])c(Br)c1 ZINC000794572893 629662143 /nfs/dbraw/zinc/66/21/43/629662143.db2.gz KUILUJMSRVKJON-UHFFFAOYSA-N -1 1 290.182 2.868 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC2CCC[C@@H]2c2ccccn2)n1 ZINC000794856340 629696141 /nfs/dbraw/zinc/69/61/41/629696141.db2.gz IEWNPGUBBNLOEQ-LLVKDONJSA-N -1 1 283.335 2.621 20 30 CFEDMM C=C(C)[C@H](CC(=O)[N-]OCc1ccccc1OC)OCC ZINC000799093780 630274815 /nfs/dbraw/zinc/27/48/15/630274815.db2.gz CHRILNMZBXWDKX-HNNXBMFYSA-N -1 1 293.363 2.614 20 30 CFEDMM O=C([O-])c1cccc(NN=Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000799465000 630311095 /nfs/dbraw/zinc/31/10/95/630311095.db2.gz VIXYWPVULSZSNV-UHFFFAOYSA-N -1 1 298.224 2.573 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C\c2cnn(C)c2)c([O-])c1 ZINC000799896777 630352465 /nfs/dbraw/zinc/35/24/65/630352465.db2.gz ZBEPMZVIPKIPEF-PLNGDYQASA-N -1 1 256.305 2.639 20 30 CFEDMM CC[C@H](C#N)OC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801418302 630446208 /nfs/dbraw/zinc/44/62/08/630446208.db2.gz KJGOFNNAODIMFP-GFCCVEGCSA-N -1 1 299.330 2.654 20 30 CFEDMM C=CC(C)(C)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000836827762 630892768 /nfs/dbraw/zinc/89/27/68/630892768.db2.gz AOGSWGHVKIMKES-UHFFFAOYSA-N -1 1 277.368 2.556 20 30 CFEDMM C=CCO[N-]C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000837049498 630945937 /nfs/dbraw/zinc/94/59/37/630945937.db2.gz IFHOUPZXGALEOL-LBPRGKRZSA-N -1 1 275.348 2.863 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1C=NNC12CC(C1)C2 ZINC000842547140 631663048 /nfs/dbraw/zinc/66/30/48/631663048.db2.gz PGHTYSZARUHUTH-UHFFFAOYSA-N -1 1 254.692 2.661 20 30 CFEDMM Cn1cc(/C=C/C(=O)c2cc(O)ccc2[O-])c(C(F)F)n1 ZINC000812243954 631679403 /nfs/dbraw/zinc/67/94/03/631679403.db2.gz WICOLOSSHJLQLB-DUXPYHPUSA-N -1 1 294.257 2.665 20 30 CFEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000812441911 631719020 /nfs/dbraw/zinc/71/90/20/631719020.db2.gz IVJAFCYBFHEAIR-UHFFFAOYSA-N -1 1 298.298 2.950 20 30 CFEDMM Cc1nn(C)c(Cl)c1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000812495608 631726981 /nfs/dbraw/zinc/72/69/81/631726981.db2.gz MHGZVEKNTQQDDZ-WUXMJOGZSA-N -1 1 290.706 2.704 20 30 CFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000867321175 631885039 /nfs/dbraw/zinc/88/50/39/631885039.db2.gz ISGJUCCWBOSFJD-CQSZACIVSA-N -1 1 277.345 2.513 20 30 CFEDMM O=C(/C=C/c1cnn(CC(F)F)c1)c1ccc([O-])cc1 ZINC000814187110 632027859 /nfs/dbraw/zinc/02/78/59/632027859.db2.gz ZSAUOJYRZMSERT-LZCJLJQNSA-N -1 1 278.258 2.750 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ncc(C(C)C)s2)n1 ZINC000814681183 632107119 /nfs/dbraw/zinc/10/71/19/632107119.db2.gz AQIHACKYQKZVOL-UHFFFAOYSA-N -1 1 277.353 2.517 20 30 CFEDMM CC(N=Nc1ccc(F)cn1)c1cc(C(=O)[O-])cs1 ZINC000814843436 632137124 /nfs/dbraw/zinc/13/71/24/632137124.db2.gz FHCDSSXYZOYZQI-UHFFFAOYSA-N -1 1 279.296 2.817 20 30 CFEDMM CC(=NN=Cc1cccc([O-])c1Cl)c1cnccn1 ZINC000814860966 632140633 /nfs/dbraw/zinc/14/06/33/632140633.db2.gz ILZSKXIHNZYGOF-UHFFFAOYSA-N -1 1 274.711 2.679 20 30 CFEDMM CCC(CC)CNN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844591837 632257076 /nfs/dbraw/zinc/25/70/76/632257076.db2.gz VHXMUSYPJDAJLE-UHFFFAOYSA-N -1 1 286.379 2.725 20 30 CFEDMM C=C(C)CO[N-]C(=O)Cc1c(Cl)cccc1OC ZINC000846535994 632725246 /nfs/dbraw/zinc/72/52/46/632725246.db2.gz OWZYDAPKKLZLKY-UHFFFAOYSA-N -1 1 269.728 2.515 20 30 CFEDMM Cc1csc(NC(=O)[N-]O[C@H]2CCCCO2)c1C#N ZINC000847186986 632947989 /nfs/dbraw/zinc/94/79/89/632947989.db2.gz PDTSUMNFTXNFIT-JTQLQIEISA-N -1 1 281.337 2.508 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000848244656 633223109 /nfs/dbraw/zinc/22/31/09/633223109.db2.gz BOPWJHHPSLHOBD-NOZJJQNGSA-N -1 1 281.739 2.924 20 30 CFEDMM C=C(C)CO[N-]C(=O)Cc1c(C)nc([C@H](C)CC)nc1C ZINC000848246458 633223703 /nfs/dbraw/zinc/22/37/03/633223703.db2.gz ZQGXLLZPAPTZOH-LLVKDONJSA-N -1 1 291.395 2.773 20 30 CFEDMM C#C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000848924096 633406123 /nfs/dbraw/zinc/40/61/23/633406123.db2.gz NLEYKYNXRANKDL-NSHDSACASA-N -1 1 294.192 3.000 20 30 CFEDMM Cn1ncc(C2CCC2)c1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000849246672 633589905 /nfs/dbraw/zinc/58/99/05/633589905.db2.gz KDDJSBFIXGDGPK-SOFGYWHQSA-N -1 1 298.342 2.995 20 30 CFEDMM CCCn1nccc1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000853004157 634872150 /nfs/dbraw/zinc/87/21/50/634872150.db2.gz AAVNEMWMNFOYMC-FMIVXFBMSA-N -1 1 268.316 2.821 20 30 CFEDMM C#C[C@](C)(CC)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000854700902 635374175 /nfs/dbraw/zinc/37/41/75/635374175.db2.gz ZSVOFKQOVKIAIQ-CYBMUJFWSA-N -1 1 287.256 2.975 20 30 CFEDMM CCC(N=Nc1nnc(C)c(=O)[n-]1)c1cc(C)ccc1C ZINC000863068106 637548164 /nfs/dbraw/zinc/54/81/64/637548164.db2.gz XMIFIUHEURTBAY-UHFFFAOYSA-N -1 1 285.351 2.729 20 30 CFEDMM N#Cc1cc(-c2csc(O[C@H]3CCOC3)n2)ccc1[O-] ZINC000863975810 637828048 /nfs/dbraw/zinc/82/80/48/637828048.db2.gz JZYARFMVACKGIZ-NSHDSACASA-N -1 1 288.328 2.555 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cn(C3CC3)cn1)O2 ZINC000865219545 638226691 /nfs/dbraw/zinc/22/66/91/638226691.db2.gz UGXXCZKHZKDWRX-LHHJGKSTSA-N -1 1 282.299 2.848 20 30 CFEDMM Cn1nc2c(c1/C=C\C(=O)c1cc(O)ccc1[O-])CCCC2 ZINC000865221621 638227879 /nfs/dbraw/zinc/22/78/79/638227879.db2.gz ZKQLFPHFCWDBCB-CLFYSBASSA-N -1 1 298.342 2.606 20 30 CFEDMM CCc1nc(CN[C@H](C)c2cccc(C#N)c2[O-])co1 ZINC000866371238 638807893 /nfs/dbraw/zinc/80/78/93/638807893.db2.gz JPFFGXWFUCUQGV-SNVBAGLBSA-N -1 1 271.320 2.665 20 30 CFEDMM C#CCCCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000866548694 638840354 /nfs/dbraw/zinc/84/03/54/638840354.db2.gz YKZXTCJJEKZJGM-UHFFFAOYSA-N -1 1 265.740 2.508 20 30 CFEDMM CCn1cc(C(=O)/C=C/c2ccc([O-])c(F)c2)cn1 ZINC000121130893 638851579 /nfs/dbraw/zinc/85/15/79/638851579.db2.gz VWXBQJXGQOGETI-HWKANZROSA-N -1 1 260.268 2.644 20 30 CFEDMM C[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)C1CCCC1 ZINC000870691172 639773924 /nfs/dbraw/zinc/77/39/24/639773924.db2.gz GBCWRCREOMRRHG-LLVKDONJSA-N -1 1 258.321 2.795 20 30 CFEDMM CC(=NN1CCC1)c1ccc([O-])c(Br)c1 ZINC000872398165 641791901 /nfs/dbraw/zinc/79/19/01/641791901.db2.gz HQZVUJRCEYGMJO-UHFFFAOYSA-N -1 1 269.142 2.584 20 30 CFEDMM CC(C)(CC#N)CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000873040083 641993008 /nfs/dbraw/zinc/99/30/08/641993008.db2.gz BTCATPJKXNBXHR-UHFFFAOYSA-N -1 1 295.770 2.785 20 30 CFEDMM N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000873048562 641994818 /nfs/dbraw/zinc/99/48/18/641994818.db2.gz DQOYIIPIFVGUAJ-GXSJLCMTSA-N -1 1 293.754 2.537 20 30 CFEDMM C#C[C@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000874860273 642531536 /nfs/dbraw/zinc/53/15/36/642531536.db2.gz WJXDZWTYUDAGNY-AULYBMBSSA-N -1 1 291.778 2.896 20 30 CFEDMM CC1(C)C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CCS1 ZINC000888801065 644558147 /nfs/dbraw/zinc/55/81/47/644558147.db2.gz VDYKTVDJZGWJSN-LBPRGKRZSA-N -1 1 290.388 2.668 20 30 CFEDMM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccns1 ZINC000885285748 646655125 /nfs/dbraw/zinc/65/51/25/646655125.db2.gz QEQHZOMXRDONTL-QWRGUYRKSA-N -1 1 286.422 2.556 20 30 CFEDMM C=C1CCC(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000885653137 646728723 /nfs/dbraw/zinc/72/87/23/646728723.db2.gz CRCIIGPYNQKTBF-UHFFFAOYSA-N -1 1 290.315 2.570 20 30 CFEDMM C#CCCCCC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266370 646940815 /nfs/dbraw/zinc/94/08/15/646940815.db2.gz JWCWEEDIABLLLZ-UHFFFAOYSA-N -1 1 281.302 2.523 20 30 CFEDMM C#C[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(C)(C)C ZINC000705299659 769907081 /nfs/dbraw/zinc/90/70/81/769907081.db2.gz HIPPTDDJAOFMFF-LBPRGKRZSA-N -1 1 265.740 2.823 20 30 CFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2sccc2c1 ZINC000088486510 769848605 /nfs/dbraw/zinc/84/86/05/769848605.db2.gz GKKUELZBAWUFEN-MRVPVSSYSA-N -1 1 266.347 2.555 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(F)nc2)c1 ZINC000588524140 770930088 /nfs/dbraw/zinc/93/00/88/770930088.db2.gz XZFMOXNCQQEYOX-DJWKRKHSSA-N -1 1 273.263 2.831 20 30 CFEDMM C=CCOc1ccccc1[C@@H](C)OCC[P@](=O)([O-])O ZINC001224603400 775224897 /nfs/dbraw/zinc/22/48/97/775224897.db2.gz XZEBPIMKHNPIIN-LLVKDONJSA-N -1 1 286.264 2.507 20 30 CFEDMM Cn1nccc1C(=O)/C=C\c1ccc([O-])c(Cl)c1 ZINC000588594998 775246456 /nfs/dbraw/zinc/24/64/56/775246456.db2.gz KEXPUJKEDKYCKQ-HYXAFXHYSA-N -1 1 262.696 2.675 20 30 CFEDMM C[C@H](CC(C)(C)S)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663359 775547911 /nfs/dbraw/zinc/54/79/11/775547911.db2.gz DPYITBLDXQXDTE-SSDOTTSWSA-N -1 1 272.326 2.561 20 30 CFEDMM N#CC[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001225763599 775584809 /nfs/dbraw/zinc/58/48/09/775584809.db2.gz AZFHVFIJXUILJF-SNVBAGLBSA-N -1 1 273.317 2.505 20 30 CFEDMM C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=S)ncc1OC ZINC001226246382 775753196 /nfs/dbraw/zinc/75/31/96/775753196.db2.gz PUVVJQNKKBDQNN-JTQLQIEISA-N -1 1 278.377 2.757 20 30 CFEDMM C[C@@H](Oc1nccc(/C=N/[O-])n1)c1ccc(F)cc1 ZINC001226253828 775756644 /nfs/dbraw/zinc/75/66/44/775756644.db2.gz MKLHMHZMERMDTA-PTPOTIKZSA-N -1 1 261.256 2.564 20 30 CFEDMM CCC[C@H](C#Cc1ccccc1)Oc1nccc(/C=N/[O-])n1 ZINC001226256690 775757656 /nfs/dbraw/zinc/75/76/56/775757656.db2.gz VFCGZASCONTUEC-CXDFQFJYSA-N -1 1 295.342 2.884 20 30 CFEDMM C=C[C@@H](C)Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)C2 ZINC001226618424 775894202 /nfs/dbraw/zinc/89/42/02/775894202.db2.gz BFRMFDBBYMVTGD-GFCCVEGCSA-N -1 1 297.358 2.651 20 30 CFEDMM [O-]/N=C(/c1ccccc1)[C@H](Oc1nc[nH]n1)c1ccccc1 ZINC001227102099 776096313 /nfs/dbraw/zinc/09/63/13/776096313.db2.gz DAYQQKPURBOBNB-KWPCUBQOSA-N -1 1 294.314 2.803 20 30 CFEDMM Cc1nc(=O)[n-]c(O[C@@H](C#N)c2ccccc2)c1Cl ZINC001227111393 776101293 /nfs/dbraw/zinc/10/12/93/776101293.db2.gz KWYSIBYFTLSNFN-JTQLQIEISA-N -1 1 275.695 2.788 20 30 CFEDMM C[C@H](Oc1nc2ccc(C#N)cc2[nH]1)C1=CC=C[CH]1 ZINC001227215469 776140678 /nfs/dbraw/zinc/14/06/78/776140678.db2.gz CNPKFCOIFVBNPS-JTQLQIEISA-N -1 1 250.281 2.902 20 30 CFEDMM C#C[C@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227579982 776233404 /nfs/dbraw/zinc/23/34/04/776233404.db2.gz CXISIEVOFKPJCJ-JTQLQIEISA-N -1 1 292.290 2.568 20 30 CFEDMM N#Cc1c([O-])ccc(OC[C@@H]2Cc3ccccc3O2)c1C#N ZINC001227617843 776246674 /nfs/dbraw/zinc/24/66/74/776246674.db2.gz HWOMRUPPRBNPCI-LBPRGKRZSA-N -1 1 292.294 2.518 20 30 CFEDMM C#C[C@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccccc1 ZINC001227619688 776246991 /nfs/dbraw/zinc/24/69/91/776246991.db2.gz TZACDQXDHYWJST-INIZCTEOSA-N -1 1 274.279 2.889 20 30 CFEDMM C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1ccccc1C#N ZINC001227716555 776269110 /nfs/dbraw/zinc/26/91/10/776269110.db2.gz RQWHMNVMFHUVSN-ZJUUUORDSA-N -1 1 297.314 2.785 20 30 CFEDMM N#Cc1ccc([O-])cc1OC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001228008482 776361650 /nfs/dbraw/zinc/36/16/50/776361650.db2.gz XXWJTYQMESWOFT-ZBFHGGJFSA-N -1 1 289.331 2.718 20 30 CFEDMM C=CCC(CC=C)Oc1cc(=O)[n-]c(SC)n1 ZINC001228090915 776392175 /nfs/dbraw/zinc/39/21/75/776392175.db2.gz QPKKFLLRFXKWHX-UHFFFAOYSA-N -1 1 252.339 2.804 20 30 CFEDMM C#C[C@H](Oc1cc(=O)[n-]c(SC)n1)c1ccccc1 ZINC001228091214 776392919 /nfs/dbraw/zinc/39/29/19/776392919.db2.gz XCZYYVSCRZAJPQ-NSHDSACASA-N -1 1 272.329 2.657 20 30 CFEDMM CSc1nc(O[C@H](CC#N)c2ccccc2)cc(=O)[n-]1 ZINC001228093867 776394729 /nfs/dbraw/zinc/39/47/29/776394729.db2.gz FAVZVZNQVXYIQC-LLVKDONJSA-N -1 1 287.344 2.938 20 30 CFEDMM O=C(c1ccccc1)c1ccc([O-])cc1O[C@@H]1C=CC(=O)C1 ZINC001228186329 776417325 /nfs/dbraw/zinc/41/73/25/776417325.db2.gz PZTVQWYPHIHFNR-OAHLLOKOSA-N -1 1 294.306 2.900 20 30 CFEDMM N#C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001229397442 776799906 /nfs/dbraw/zinc/79/99/06/776799906.db2.gz HXKACYGJYNPYSX-AWEZNQCLSA-N -1 1 270.244 2.944 20 30 CFEDMM N#CCCN1CC(Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229405793 776802775 /nfs/dbraw/zinc/80/27/75/776802775.db2.gz BDYMJTBCYIOHBY-UHFFFAOYSA-N -1 1 287.146 2.676 20 30 CFEDMM C=C(C)C(=O)OC[C@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229737359 776884065 /nfs/dbraw/zinc/88/40/65/776884065.db2.gz VWIUJPQCYQDFJH-NRMVZKHRSA-N -1 1 277.320 2.771 20 30 CFEDMM C=C1O[C@H](CC)C(=O)C1Oc1ccccc1/C(C)=N/[O-] ZINC001229736472 776884281 /nfs/dbraw/zinc/88/42/81/776884281.db2.gz DDTXTWNANQQSFJ-GFQQVXNGSA-N -1 1 275.304 2.873 20 30 CFEDMM C=CC[C@@H](CCC)Oc1nc(C)[n-]c(=O)c1OC ZINC001230022914 776942175 /nfs/dbraw/zinc/94/21/75/776942175.db2.gz XPOMZNDTCMTJFD-JTQLQIEISA-N -1 1 252.314 2.623 20 30 CFEDMM COc1c(O[C@@H](CC#N)c2ccccc2)nc(C)[n-]c1=O ZINC001230020916 776942714 /nfs/dbraw/zinc/94/27/14/776942714.db2.gz JAMATMUWSFVMEG-LBPRGKRZSA-N -1 1 285.303 2.533 20 30 CFEDMM C=C[C@H](Oc1nc(C)[n-]c(=O)c1OC)c1ccccc1 ZINC001230027781 776945339 /nfs/dbraw/zinc/94/53/39/776945339.db2.gz ZRWPDRDXBDAGCB-LBPRGKRZSA-N -1 1 272.304 2.805 20 30 CFEDMM C#C[C@H](CCCCC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259353 777178147 /nfs/dbraw/zinc/17/81/47/777178147.db2.gz KIZMQRVAKVODSE-LLVKDONJSA-N -1 1 278.308 2.965 20 30 CFEDMM N#CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC001231464995 777227938 /nfs/dbraw/zinc/22/79/38/777227938.db2.gz YLPQHDVLTLYNIF-SNVBAGLBSA-N -1 1 264.350 2.572 20 30 CFEDMM N#CC1CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733302 777315807 /nfs/dbraw/zinc/31/58/07/777315807.db2.gz RGAYMRJVFVZERZ-UHFFFAOYSA-N -1 1 250.729 2.781 20 30 CFEDMM N#C[C@@H]1CCCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232972951 777748491 /nfs/dbraw/zinc/74/84/91/777748491.db2.gz IAUGDLPLTKSAFP-JTQLQIEISA-N -1 1 252.264 2.548 20 30 CFEDMM C#C[C@@H](CCCC)Oc1[n-]c(=O)ncc1Br ZINC001227137565 777771084 /nfs/dbraw/zinc/77/10/84/777771084.db2.gz KKHJAAJMVGSVRX-QMMMGPOBSA-N -1 1 285.141 2.516 20 30 CFEDMM C[C@H](C#N)N(C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418898 777944405 /nfs/dbraw/zinc/94/44/05/777944405.db2.gz APHPFBVRGCIDIF-MRVPVSSYSA-N -1 1 258.243 2.755 20 30 CFEDMM [O-]N=Cc1ccccc1O[C@H]1CCc2cccnc21 ZINC001234820277 778301537 /nfs/dbraw/zinc/30/15/37/778301537.db2.gz ULCTYJMJCCIRKM-AWEZNQCLSA-N -1 1 254.289 2.956 20 30 CFEDMM COC(=O)C[C@H]1CCC[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234818681 778302386 /nfs/dbraw/zinc/30/23/86/778302386.db2.gz CNEGBYZUSQEDFP-JSGCOSHPSA-N -1 1 291.347 2.995 20 30 CFEDMM N#Cc1ccc(O)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212009781 778325555 /nfs/dbraw/zinc/32/55/55/778325555.db2.gz UWCBNWOJABLFNF-UHFFFAOYSA-N -1 1 262.215 2.991 20 30 CFEDMM CC1(C#N)CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122056 779017088 /nfs/dbraw/zinc/01/70/88/779017088.db2.gz RLEGAWRLEPOOMH-UHFFFAOYSA-N -1 1 254.692 2.530 20 30 CFEDMM C[C@]1(C#N)CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125228 779020275 /nfs/dbraw/zinc/02/02/75/779020275.db2.gz BBYYFZVRCUCKRI-CYBMUJFWSA-N -1 1 268.719 2.920 20 30 CFEDMM C=CC[C@H](Oc1[n-]c(=O)c(F)cc1C(=O)OC)C(C)C ZINC001234606741 779252768 /nfs/dbraw/zinc/25/27/68/779252768.db2.gz LMXFSDHBRXYSFW-NSHDSACASA-N -1 1 283.299 2.692 20 30 CFEDMM N#C[C@@H]1CCCN1Cc1c(Br)ccc([O-])c1F ZINC001238304293 779291606 /nfs/dbraw/zinc/29/16/06/779291606.db2.gz DAOLOTXCWZZTQR-QMMMGPOBSA-N -1 1 299.143 2.782 20 30 CFEDMM CS(=O)(=O)c1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001239702952 779718043 /nfs/dbraw/zinc/71/80/43/779718043.db2.gz VUZBGFIJMWNJQJ-CXUHLZMHSA-N -1 1 293.319 2.704 20 30 CFEDMM Cn1nc(C(F)(F)F)cc1-c1cccc(/C=N/[O-])c1 ZINC001240290635 780049079 /nfs/dbraw/zinc/04/90/79/780049079.db2.gz DAGCTQLWGVYIFA-FRKPEAEDSA-N -1 1 269.226 2.914 20 30 CFEDMM N#Cc1c[nH]c2nc(-c3ccc([O-])c(F)c3)ccc12 ZINC001240781807 780436607 /nfs/dbraw/zinc/43/66/07/780436607.db2.gz JLKXLXJAEBPBSP-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM CSc1ncc(C#N)c(-c2cc([O-])cc(F)c2)n1 ZINC001241255988 780737408 /nfs/dbraw/zinc/73/74/08/780737408.db2.gz IVBLQEDGSWGIKN-UHFFFAOYSA-N -1 1 261.281 2.582 20 30 CFEDMM COc1ccc(-c2c(F)ccc([O-])c2F)nc1CC#N ZINC001241291130 780761137 /nfs/dbraw/zinc/76/11/37/780761137.db2.gz KGELZBLKWNCGSP-UHFFFAOYSA-N -1 1 276.242 2.807 20 30 CFEDMM N#Cc1c[nH]c2ccnc(-c3cccc(C(=O)[O-])c3)c12 ZINC001241358478 780809134 /nfs/dbraw/zinc/80/91/34/780809134.db2.gz QECRELWMITYHKD-UHFFFAOYSA-N -1 1 263.256 2.800 20 30 CFEDMM C[S@@](=O)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001241488147 780937232 /nfs/dbraw/zinc/93/72/32/780937232.db2.gz CYUHFGIRSWROJA-GOSISDBHSA-N -1 1 259.330 2.899 20 30 CFEDMM N#CCc1nccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242131498 781294413 /nfs/dbraw/zinc/29/44/13/781294413.db2.gz LZBDKAUOTUGSSP-UHFFFAOYSA-N -1 1 279.221 2.934 20 30 CFEDMM COC(=O)c1ccc(C#N)cc1-c1ccc(F)cc1[O-] ZINC001242219528 781334383 /nfs/dbraw/zinc/33/43/83/781334383.db2.gz JTNCTXPDDVXOCT-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM [O-]/N=C/c1ccc(-c2cc(F)ccc2CO)cc1F ZINC001242341527 781413889 /nfs/dbraw/zinc/41/38/89/781413889.db2.gz CRHGFMQPIFLVOU-REZTVBANSA-N -1 1 263.243 2.932 20 30 CFEDMM COc1cc(-c2ccc3c(c2)CC/C3=N/[O-])c(OC)cn1 ZINC001242427076 781491964 /nfs/dbraw/zinc/49/19/64/781491964.db2.gz BIYHGKCWNZZKQQ-JXAWBTAJSA-N -1 1 284.315 2.890 20 30 CFEDMM CN(C)c1cncc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001242527933 781568848 /nfs/dbraw/zinc/56/88/48/781568848.db2.gz HWUVNKFCRUVKLB-REZTVBANSA-N -1 1 259.284 2.762 20 30 CFEDMM N#Cc1cc(-c2cc(C(F)(F)F)cnn2)ccc1[O-] ZINC001242562590 781599655 /nfs/dbraw/zinc/59/96/55/781599655.db2.gz FFGZWNGUZBEKJQ-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM CSc1nc(C)cc(-c2ccc([O-])c(C#N)c2)n1 ZINC001242562311 781599911 /nfs/dbraw/zinc/59/99/11/781599911.db2.gz RPCZFOJFKKKQMP-UHFFFAOYSA-N -1 1 257.318 2.751 20 30 CFEDMM C=CCn1ccc2c1ncnc2-c1ccc([O-])c(C#N)c1 ZINC001242562753 781601121 /nfs/dbraw/zinc/60/11/21/781601121.db2.gz KBUWMMUTFDCRND-UHFFFAOYSA-N -1 1 276.299 2.862 20 30 CFEDMM COc1cccc2cnc(-c3ccc([O-])c(C#N)c3)nc21 ZINC001242562681 781601149 /nfs/dbraw/zinc/60/11/49/781601149.db2.gz HGPRPGIHLCAUKU-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM N#Cc1cc(-c2cnc3c(n2)CCCC3)ccc1[O-] ZINC001242562966 781601297 /nfs/dbraw/zinc/60/12/97/781601297.db2.gz LRWSMAAYHHREGI-UHFFFAOYSA-N -1 1 251.289 2.600 20 30 CFEDMM CSc1ncc(F)c(-c2ccc([O-])c(C#N)c2)n1 ZINC001242562903 781601583 /nfs/dbraw/zinc/60/15/83/781601583.db2.gz NDKGRHWIXVLVPV-UHFFFAOYSA-N -1 1 261.281 2.582 20 30 CFEDMM Cc1c(C)c(-n2ccnc2)nnc1-c1ccc([O-])c(C#N)c1 ZINC001242563761 781602439 /nfs/dbraw/zinc/60/24/39/781602439.db2.gz VDRGKBZZUUPWGW-UHFFFAOYSA-N -1 1 291.314 2.523 20 30 CFEDMM CCOc1ncc(-c2ccc([O-])c(C#N)c2)cc1C(=O)OC ZINC001242564877 781603150 /nfs/dbraw/zinc/60/31/50/781603150.db2.gz YYGOWUURYUIQCB-UHFFFAOYSA-N -1 1 298.298 2.511 20 30 CFEDMM N#Cc1cc(-c2cc3cc[nH]c3c(C(N)=O)c2)ccc1[O-] ZINC001242566061 781604753 /nfs/dbraw/zinc/60/47/53/781604753.db2.gz HGUFBQDZOMFLCQ-UHFFFAOYSA-N -1 1 277.283 2.511 20 30 CFEDMM COCOc1ccc(OC)cc1-c1ccc([O-])c(C#N)c1 ZINC001242565701 781604760 /nfs/dbraw/zinc/60/47/60/781604760.db2.gz QRJHRSBDXYMKCF-UHFFFAOYSA-N -1 1 285.299 2.922 20 30 CFEDMM CC(C)(C)C(=O)Nc1cnc(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242565875 781604898 /nfs/dbraw/zinc/60/48/98/781604898.db2.gz FUYXUJXZNRNXDT-UHFFFAOYSA-N -1 1 296.330 2.705 20 30 CFEDMM N#Cc1cc(-c2cccnc2OC(F)F)ccc1[O-] ZINC001242566574 781606143 /nfs/dbraw/zinc/60/61/43/781606143.db2.gz GRMFANIKRGPZDE-UHFFFAOYSA-N -1 1 262.215 2.927 20 30 CFEDMM CN1CCc2cccc(-c3ccc([O-])c(C#N)c3)c2C1=O ZINC001242567267 781607524 /nfs/dbraw/zinc/60/75/24/781607524.db2.gz UAURGZSPRMQAAP-UHFFFAOYSA-N -1 1 278.311 2.559 20 30 CFEDMM CC(=O)c1cc(-c2cc(/C=N/[O-])ccc2F)ccn1 ZINC001242611375 781639213 /nfs/dbraw/zinc/63/92/13/781639213.db2.gz QLFKDMWZEADGGJ-CAOOACKPSA-N -1 1 258.252 2.898 20 30 CFEDMM C=C(C)CC[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000573484620 334941058 /nfs/dbraw/zinc/94/10/58/334941058.db2.gz WACMZEUVONXWMB-UHFFFAOYSA-N -1 1 282.390 2.541 20 30 CFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000172589394 232270928 /nfs/dbraw/zinc/27/09/28/232270928.db2.gz QOULAALAOQCUTG-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM Cc1cc(C(C#N)=C([O-])c2cccs2)nc(C)n1 ZINC000041574175 346352560 /nfs/dbraw/zinc/35/25/60/346352560.db2.gz IGOMDZBWAHWEFZ-SNVBAGLBSA-N -1 1 257.318 2.645 20 30 CFEDMM CCC[C@@H](C#N)NC(=O)c1ccc(Br)cc1[O-] ZINC000044483909 346394307 /nfs/dbraw/zinc/39/43/07/346394307.db2.gz PQPOTEOMQXLAQA-VIFPVBQESA-N -1 1 297.152 2.577 20 30 CFEDMM CCC[C@@H](C#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000094079636 347690854 /nfs/dbraw/zinc/69/08/54/347690854.db2.gz VSCFSJQABPJGLF-ZDUSSCGKSA-N -1 1 268.316 2.967 20 30 CFEDMM N#Cc1ccc(C(=O)NCC2(C3CCC3)CCC2)cc1[O-] ZINC000584704631 348706968 /nfs/dbraw/zinc/70/69/68/348706968.db2.gz NRQSECFELVCEHD-UHFFFAOYSA-N -1 1 284.359 2.964 20 30 CFEDMM C#CCN(CC)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000273950188 192376136 /nfs/dbraw/zinc/37/61/36/192376136.db2.gz MGHOBVAILWOKQV-UHFFFAOYSA-N -1 1 281.739 2.540 20 30 CFEDMM C[C@@H](CCc1ccco1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589158444 348813807 /nfs/dbraw/zinc/81/38/07/348813807.db2.gz TVJYSZITTNFHNF-NSHDSACASA-N -1 1 284.315 2.608 20 30 CFEDMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589170148 348815220 /nfs/dbraw/zinc/81/52/20/348815220.db2.gz JQLIJSUFOVZKBB-KRWDZBQOSA-N -1 1 292.338 2.990 20 30 CFEDMM CC(C)Oc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000589169385 348815374 /nfs/dbraw/zinc/81/53/74/348815374.db2.gz RECXCAUXCLYQQY-UHFFFAOYSA-N -1 1 297.314 2.698 20 30 CFEDMM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589183918 348816813 /nfs/dbraw/zinc/81/68/13/348816813.db2.gz QFIUIZHHHYQHPV-WDEREUQCSA-N -1 1 258.321 2.524 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000589184681 348816890 /nfs/dbraw/zinc/81/68/90/348816890.db2.gz VVMAGMJKTIFTRC-YOEHRIQHSA-N -1 1 292.338 2.625 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CSc3ccccc32)c1 ZINC000589181880 348817126 /nfs/dbraw/zinc/81/71/26/348817126.db2.gz KCMBLQUJJAKIIA-AWEZNQCLSA-N -1 1 296.351 2.841 20 30 CFEDMM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589184654 348817344 /nfs/dbraw/zinc/81/73/44/348817344.db2.gz VIWJXXXYQIOWRF-AEFFLSMTSA-N -1 1 292.338 2.724 20 30 CFEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)cc2n[nH]cc21 ZINC000589196022 348818697 /nfs/dbraw/zinc/81/86/97/348818697.db2.gz CZLJPVSWMOIRFD-UHFFFAOYSA-N -1 1 292.298 2.701 20 30 CFEDMM CSc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccn1 ZINC000589196052 348818796 /nfs/dbraw/zinc/81/87/96/348818796.db2.gz DPHLNFWPTWHMCC-UHFFFAOYSA-N -1 1 285.328 2.633 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC(Cc3ccccc3)C2)c1 ZINC000589197809 348818856 /nfs/dbraw/zinc/81/88/56/348818856.db2.gz AJRNMRYFRKYTSX-UHFFFAOYSA-N -1 1 292.338 2.579 20 30 CFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H]2CCCC[C@H]21 ZINC000589199907 348818969 /nfs/dbraw/zinc/81/89/69/348818969.db2.gz SLTATUKIQBWWSL-XFBWCDHKSA-N -1 1 284.359 2.915 20 30 CFEDMM CC1(C)CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589196880 348819023 /nfs/dbraw/zinc/81/90/23/348819023.db2.gz KOJBCOYSHMIPCS-LBPRGKRZSA-N -1 1 258.321 2.572 20 30 CFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC(C)(C)C1 ZINC000589201653 348819490 /nfs/dbraw/zinc/81/94/90/348819490.db2.gz BPUWURJPSHGLCZ-NSHDSACASA-N -1 1 272.348 2.772 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000590775312 348947587 /nfs/dbraw/zinc/94/75/87/348947587.db2.gz PSGWZEVCXIQWCZ-BETUJISGSA-N -1 1 270.332 2.526 20 30 CFEDMM CC1(C)CCC[C@H]1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000590528345 348907975 /nfs/dbraw/zinc/90/79/75/348907975.db2.gz JZBZCBBPZMMCAV-ZDUSSCGKSA-N -1 1 272.348 2.820 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1 ZINC000591088414 348986567 /nfs/dbraw/zinc/98/65/67/348986567.db2.gz XMCBGUDIXUUWSS-CZUORRHYSA-N -1 1 284.359 2.820 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC2CCC(C(F)F)CC2)c1 ZINC000590920007 348967183 /nfs/dbraw/zinc/96/71/83/348967183.db2.gz ZMTNVPLLUJPAJJ-UHFFFAOYSA-N -1 1 294.301 2.818 20 30 CFEDMM CC[C@@H](C#N)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000593587997 349295474 /nfs/dbraw/zinc/29/54/74/349295474.db2.gz HYUOJVHQZOHDDK-QMMMGPOBSA-N -1 1 297.152 2.951 20 30 CFEDMM C=CC[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000597996074 350175526 /nfs/dbraw/zinc/17/55/26/350175526.db2.gz YCYJFERUGXVXGS-LBPRGKRZSA-N -1 1 270.332 2.692 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](C3CCC3)C2)c1 ZINC000598402173 350257303 /nfs/dbraw/zinc/25/73/03/350257303.db2.gz ZKDVAOAGQBNCFC-CQSZACIVSA-N -1 1 284.359 2.916 20 30 CFEDMM N#CC1(CN=c2[n-]c(-c3ccc(F)cc3)no2)CCCC1 ZINC000599096684 350375359 /nfs/dbraw/zinc/37/53/59/350375359.db2.gz VEJXMSZKZAWSOQ-UHFFFAOYSA-N -1 1 286.310 2.793 20 30 CFEDMM N#CC1(CN=c2nc(-c3ccc(F)cc3)[n-]o2)CCCC1 ZINC000599096684 350375363 /nfs/dbraw/zinc/37/53/63/350375363.db2.gz VEJXMSZKZAWSOQ-UHFFFAOYSA-N -1 1 286.310 2.793 20 30 CFEDMM C=CCN(CC(F)(F)F)C(=O)c1cc(F)ccc1[O-] ZINC000271375863 191104743 /nfs/dbraw/zinc/10/47/43/191104743.db2.gz ZWSSXJJMGYPVGT-UHFFFAOYSA-N -1 1 277.217 2.722 20 30 CFEDMM CC1(NC(=O)c2cc([O-])cc(C#N)c2)CCC(F)(F)CC1 ZINC000600261798 350546144 /nfs/dbraw/zinc/54/61/44/350546144.db2.gz IWRWDXLBPPQAPY-UHFFFAOYSA-N -1 1 294.301 2.962 20 30 CFEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cncc([O-])c1 ZINC000109042429 186241153 /nfs/dbraw/zinc/24/11/53/186241153.db2.gz NRWCGMRYMHIOIV-UHFFFAOYSA-N -1 1 295.342 2.711 20 30 CFEDMM N#Cc1cc(-c2ccc(N3CCSCC3)nc2)ccc1[O-] ZINC000600780190 350610028 /nfs/dbraw/zinc/61/00/28/350610028.db2.gz OMMXZXIDAWBNDD-UHFFFAOYSA-N -1 1 297.383 2.879 20 30 CFEDMM CCc1c(-c2cccc(OC)c2)[n-]n([C@H](C)CC#N)c1=O ZINC000601936777 350808692 /nfs/dbraw/zinc/80/86/92/350808692.db2.gz UXDYIZGJVIZFHT-BXUZGUMPSA-N -1 1 285.347 2.570 20 30 CFEDMM CCc1c(-c2cccc(OC)c2)[n-]n([C@@H](C)CC#N)c1=O ZINC000601936778 350808814 /nfs/dbraw/zinc/80/88/14/350808814.db2.gz UXDYIZGJVIZFHT-FZMZJTMJSA-N -1 1 285.347 2.570 20 30 CFEDMM CCc1c(-c2cccc(OC)c2)[n-]n([C@H](C)CC#N)c1=O ZINC000601936779 350808848 /nfs/dbraw/zinc/80/88/48/350808848.db2.gz UXDYIZGJVIZFHT-RISCZKNCSA-N -1 1 285.347 2.570 20 30 CFEDMM N#Cc1cccc(Cn2[n-]c3c(c2=O)CCCCC3)c1 ZINC000601944044 350812655 /nfs/dbraw/zinc/81/26/55/350812655.db2.gz IHODGZQMRCCPPD-AWEZNQCLSA-N -1 1 267.332 2.837 20 30 CFEDMM CN(Cc1cccc(C#N)c1)C(=O)c1ccc([O-])c(F)c1 ZINC000613447664 351961646 /nfs/dbraw/zinc/96/16/46/351961646.db2.gz QCCHLVRIEMQRSC-UHFFFAOYSA-N -1 1 284.290 2.675 20 30 CFEDMM CN(Cc1ccc(C#N)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000613445732 351961814 /nfs/dbraw/zinc/96/18/14/351961814.db2.gz MJKDREUHWGNKJK-UHFFFAOYSA-N -1 1 284.290 2.675 20 30 CFEDMM Cc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614293209 352076568 /nfs/dbraw/zinc/07/65/68/352076568.db2.gz BVHIEXRNYGSLCL-UHFFFAOYSA-N -1 1 252.273 2.825 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000614298350 352076972 /nfs/dbraw/zinc/07/69/72/352076972.db2.gz KSQCUKZZZFEIRT-HOTGVXAUSA-N -1 1 296.301 2.689 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000614298590 352077034 /nfs/dbraw/zinc/07/70/34/352077034.db2.gz VBQBOZALSOTVBA-HZPDHXFCSA-N -1 1 278.311 2.550 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000614295608 352077079 /nfs/dbraw/zinc/07/70/79/352077079.db2.gz TUVUXLMHVCAHBI-UHFFFAOYSA-N -1 1 296.370 2.962 20 30 CFEDMM CN(CC1CCCC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614297967 352077181 /nfs/dbraw/zinc/07/71/81/352077181.db2.gz HIVBZPNOXDTVKK-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1 ZINC000614299915 352077222 /nfs/dbraw/zinc/07/72/22/352077222.db2.gz JNTULSMUNCCGIC-DOMZBBRYSA-N -1 1 270.332 2.669 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000614299916 352077233 /nfs/dbraw/zinc/07/72/33/352077233.db2.gz JNTULSMUNCCGIC-IUODEOHRSA-N -1 1 270.332 2.669 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000614298349 352077255 /nfs/dbraw/zinc/07/72/55/352077255.db2.gz KSQCUKZZZFEIRT-CVEARBPZSA-N -1 1 296.301 2.689 20 30 CFEDMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614299093 352077289 /nfs/dbraw/zinc/07/72/89/352077289.db2.gz BMAPNTZBUYBNJR-VXGBXAGGSA-N -1 1 272.348 2.915 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000614365004 352085440 /nfs/dbraw/zinc/08/54/40/352085440.db2.gz WFRZJVXVUUPFSM-OAHLLOKOSA-N -1 1 292.338 2.894 20 30 CFEDMM Cc1cccc2c1CCN2C(=O)c1cc([O-])cc(C#N)c1 ZINC000614365011 352085654 /nfs/dbraw/zinc/08/56/54/352085654.db2.gz ZQKDSJUSBATLRA-UHFFFAOYSA-N -1 1 278.311 2.775 20 30 CFEDMM C[C@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000615491012 352199249 /nfs/dbraw/zinc/19/92/49/352199249.db2.gz GEJPJJJUDUVWCR-FZMZJTMJSA-N -1 1 272.348 2.962 20 30 CFEDMM CCCN(CC(F)(F)F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000615428234 352192331 /nfs/dbraw/zinc/19/23/31/352192331.db2.gz IGBZBIQKILKUPE-UHFFFAOYSA-N -1 1 286.253 2.678 20 30 CFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C#N)c1 ZINC000615429158 352192387 /nfs/dbraw/zinc/19/23/87/352192387.db2.gz QWKSERCBBKWOMW-NSHDSACASA-N -1 1 291.310 2.627 20 30 CFEDMM COCCc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000615823674 352243987 /nfs/dbraw/zinc/24/39/87/352243987.db2.gz VOGWZFXQPAOUJD-UHFFFAOYSA-N -1 1 296.326 2.705 20 30 CFEDMM C=CCN(C(=O)c1ccc(Cl)cc1[O-])[C@H](C)COC ZINC000617576026 352594072 /nfs/dbraw/zinc/59/40/72/352594072.db2.gz KHBREBQSAQDJLP-SNVBAGLBSA-N -1 1 283.755 2.709 20 30 CFEDMM C=CCC1(NC(=O)c2ccc(Cl)cc2[O-])CCOCC1 ZINC000618246290 352737846 /nfs/dbraw/zinc/73/78/46/352737846.db2.gz DFXYDMKQNHGGSQ-UHFFFAOYSA-N -1 1 295.766 2.901 20 30 CFEDMM C=CCCS(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC000621322799 353322919 /nfs/dbraw/zinc/32/29/19/353322919.db2.gz IUCYTTNEEWOGFE-NSHDSACASA-N -1 1 281.368 2.696 20 30 CFEDMM N#Cc1ccc(C(=O)[N-]c2nnc(-c3ccco3)s2)o1 ZINC000432409808 283135069 /nfs/dbraw/zinc/13/50/69/283135069.db2.gz JFOFPDVZNWJPFS-UHFFFAOYSA-N -1 1 286.272 2.515 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1[O-] ZINC000443287075 241049491 /nfs/dbraw/zinc/04/94/91/241049491.db2.gz IVGXMAXZRHOTKA-YWPYICTPSA-N -1 1 284.359 2.962 20 30 CFEDMM Cc1cc(C#N)cc(NC(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000456972360 244340475 /nfs/dbraw/zinc/34/04/75/244340475.db2.gz UQVIOKXUBQRJTB-UHFFFAOYSA-N -1 1 298.371 2.572 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2cccc(C#N)c2)n1 ZINC000041521502 372845476 /nfs/dbraw/zinc/84/54/76/372845476.db2.gz KIHRJVJFRWPYTJ-LBPRGKRZSA-N -1 1 267.313 2.813 20 30 CFEDMM CCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(C)(C)C ZINC000451774282 383703295 /nfs/dbraw/zinc/70/32/95/383703295.db2.gz BCTAGOLUSOEAKC-LLVKDONJSA-N -1 1 284.381 2.644 20 30 CFEDMM C=C[C@H](CC(=O)N[C@H](CCC)c1nn[n-]n1)c1ccccc1 ZINC000122724202 376935838 /nfs/dbraw/zinc/93/58/38/376935838.db2.gz VSYQSHIKPCUVAR-TZMCWYRMSA-N -1 1 299.378 2.517 20 30 CFEDMM C=C[C@@H](CC(=O)N[C@@H](CCC)c1nn[n-]n1)c1ccccc1 ZINC000122724412 376935866 /nfs/dbraw/zinc/93/58/66/376935866.db2.gz VSYQSHIKPCUVAR-JSGCOSHPSA-N -1 1 299.378 2.517 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC(=O)NC23CCC3)cc1[O-] ZINC000328704196 378416141 /nfs/dbraw/zinc/41/61/41/378416141.db2.gz ORQITHLFXGRMAS-CYBMUJFWSA-N -1 1 299.330 2.610 20 30 CFEDMM C=CCN(C(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000165378499 379038245 /nfs/dbraw/zinc/03/82/45/379038245.db2.gz NKHSXXMODGPWFH-UHFFFAOYSA-N -1 1 296.164 2.945 20 30 CFEDMM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000278715871 194118618 /nfs/dbraw/zinc/11/86/18/194118618.db2.gz GZAFQABKCFDLQE-ZWNOBZJWSA-N -1 1 281.739 2.965 20 30 CFEDMM N#Cc1ccc(C(=O)NC2CC(c3ccccc3)C2)cc1[O-] ZINC000334345833 379131410 /nfs/dbraw/zinc/13/14/10/379131410.db2.gz PJKQCSSLVUQXBK-UHFFFAOYSA-N -1 1 292.338 2.940 20 30 CFEDMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336319418 296292664 /nfs/dbraw/zinc/29/26/64/296292664.db2.gz SKEDNJJDOZNSCM-LLVKDONJSA-N -1 1 270.332 2.669 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCc3cccc(F)c3C2)cc1[O-] ZINC000335803762 379914180 /nfs/dbraw/zinc/91/41/80/379914180.db2.gz QZHFFQLBQMAZRX-UHFFFAOYSA-N -1 1 296.301 2.601 20 30 CFEDMM N#CC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000335942422 380135310 /nfs/dbraw/zinc/13/53/10/380135310.db2.gz NJAFFTRWKDCNFP-UHFFFAOYSA-N -1 1 250.729 2.781 20 30 CFEDMM C#CCO[N-]C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000291077888 381657639 /nfs/dbraw/zinc/65/76/39/381657639.db2.gz MWCPJYMUZUVTOY-NSHDSACASA-N -1 1 265.740 2.590 20 30 CFEDMM CC(C)n1nccc1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000373050964 381919172 /nfs/dbraw/zinc/91/91/72/381919172.db2.gz DARRTHVLRACEEI-AUWJEWJLSA-N -1 1 270.288 2.786 20 30 CFEDMM C=C[C@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301604446 382180384 /nfs/dbraw/zinc/18/03/84/382180384.db2.gz LVLDKMDXHQCXKN-VIFPVBQESA-N -1 1 270.336 2.847 20 30 CFEDMM N#CC1(CN=c2[n-]c(-c3cccc(Cl)c3)no2)CCC1 ZINC000419020467 382219358 /nfs/dbraw/zinc/21/93/58/382219358.db2.gz KZSBUZMCQLZAPJ-UHFFFAOYSA-N -1 1 288.738 2.918 20 30 CFEDMM N#CC1(CN=c2nc(-c3cccc(Cl)c3)[n-]o2)CCC1 ZINC000419020467 382219361 /nfs/dbraw/zinc/21/93/61/382219361.db2.gz KZSBUZMCQLZAPJ-UHFFFAOYSA-N -1 1 288.738 2.918 20 30 CFEDMM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188502577 382426208 /nfs/dbraw/zinc/42/62/08/382426208.db2.gz QYLPYQYMMDGQAR-SMDDNHRTSA-N -1 1 272.348 2.962 20 30 CFEDMM CN(CCc1cccs1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188580690 382438198 /nfs/dbraw/zinc/43/81/98/382438198.db2.gz DJEYVCRKFCYGTD-UHFFFAOYSA-N -1 1 286.356 2.640 20 30 CFEDMM Cc1cc(F)ccc1CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188708945 382461766 /nfs/dbraw/zinc/46/17/66/382461766.db2.gz OQOOLQQTEQAGDN-UHFFFAOYSA-N -1 1 298.317 2.684 20 30 CFEDMM C=CCCC[C@@H](C)N=c1[n-]c(C(=O)OCC)cs1 ZINC000398111241 382635142 /nfs/dbraw/zinc/63/51/42/382635142.db2.gz YOXHIUQZLDPPBB-SNVBAGLBSA-N -1 1 268.382 2.898 20 30 CFEDMM N#Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1[O-] ZINC000189747421 382639271 /nfs/dbraw/zinc/63/92/71/382639271.db2.gz URYXWPIUWYOWQE-UHFFFAOYSA-N -1 1 296.370 2.962 20 30 CFEDMM N#Cc1ccc(C(=O)NC/C=C\c2ccccc2)cc1[O-] ZINC000442643720 382940171 /nfs/dbraw/zinc/94/01/71/382940171.db2.gz ARNQFBBPYWZNLS-DAXSKMNVSA-N -1 1 278.311 2.707 20 30 CFEDMM COc1ccc(NC(=O)c2cccc(F)c2C#N)c([O-])c1 ZINC000442705876 382946628 /nfs/dbraw/zinc/94/66/28/382946628.db2.gz WGDMAUOOIMVHDP-UHFFFAOYSA-N -1 1 286.262 2.664 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1sc(CC)nc1C ZINC000427754765 383415852 /nfs/dbraw/zinc/41/58/52/383415852.db2.gz DTPZBZRQEAZGDN-UHFFFAOYSA-N -1 1 274.411 2.722 20 30 CFEDMM CNc1ccc(C#N)cc1NC(=O)c1ccc([O-])cc1F ZINC000436654401 383865884 /nfs/dbraw/zinc/86/58/84/383865884.db2.gz XMKFPQUKOLRRCA-UHFFFAOYSA-N -1 1 285.278 2.697 20 30 CFEDMM N#CC1(F)CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436838729 383898590 /nfs/dbraw/zinc/89/85/90/383898590.db2.gz NSKKDCFTCBDSLO-UHFFFAOYSA-N -1 1 282.702 2.513 20 30 CFEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1cc(Cl)ccc1[O-] ZINC000268063159 384522053 /nfs/dbraw/zinc/52/20/53/384522053.db2.gz YKKWZQPHRCBRFG-LLVKDONJSA-N -1 1 266.728 2.714 20 30 CFEDMM C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000282796694 385390394 /nfs/dbraw/zinc/39/03/94/385390394.db2.gz NTZCEQBHSDBHJE-OAHLLOKOSA-N -1 1 277.320 2.720 20 30 CFEDMM C#CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000274133367 385725911 /nfs/dbraw/zinc/72/59/11/385725911.db2.gz WBKPSFZBWKXRNB-UHFFFAOYSA-N -1 1 283.249 2.649 20 30 CFEDMM C#C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(C)C ZINC000304190817 260002855 /nfs/dbraw/zinc/00/28/55/260002855.db2.gz URRBRLMISMNEQM-LLVKDONJSA-N -1 1 296.164 2.542 20 30 CFEDMM C=CCCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000303991241 393497652 /nfs/dbraw/zinc/49/76/52/393497652.db2.gz XVDYJQNAYVMBLR-UHFFFAOYSA-N -1 1 284.153 2.851 20 30 CFEDMM N#Cc1ccc(C(=O)NCC2(C3CC3)CCC2)cc1[O-] ZINC000188715232 393567085 /nfs/dbraw/zinc/56/70/85/393567085.db2.gz GTWAUXJRBLIIOR-UHFFFAOYSA-N -1 1 270.332 2.574 20 30 CFEDMM CC(C)CC[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190037452 393577453 /nfs/dbraw/zinc/57/74/53/393577453.db2.gz WJDNOLWSMOXCRX-LLVKDONJSA-N -1 1 260.337 2.818 20 30 CFEDMM N#CC1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CCC1 ZINC000416349413 393909075 /nfs/dbraw/zinc/90/90/75/393909075.db2.gz YMYUVACBJOFBFC-UHFFFAOYSA-N -1 1 298.264 2.835 20 30 CFEDMM C=C[C@H](CCC(=O)[O-])NCc1c(F)cccc1Cl ZINC000417621846 393984940 /nfs/dbraw/zinc/98/49/40/393984940.db2.gz GMEYCVXWCZCJTH-SECBINFHSA-N -1 1 271.719 2.988 20 30 CFEDMM CC(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(F)(F)F ZINC000348062186 154302585 /nfs/dbraw/zinc/30/25/85/154302585.db2.gz BYDAXTAJQHIPEU-NSHDSACASA-N -1 1 286.253 2.581 20 30 CFEDMM C=CCCC(=O)CSc1nc(CC)c(C)c(=O)[n-]1 ZINC000657263818 413381478 /nfs/dbraw/zinc/38/14/78/413381478.db2.gz WVILMZPSAZLXDA-UHFFFAOYSA-N -1 1 266.366 2.680 20 30 CFEDMM C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344749372 162115354 /nfs/dbraw/zinc/11/53/54/162115354.db2.gz BYOUNNHQSMOJDQ-LLVKDONJSA-N -1 1 296.392 2.788 20 30 CFEDMM N#CCCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000070940493 260158549 /nfs/dbraw/zinc/15/85/49/260158549.db2.gz DXVSZVPSWCYPQL-UHFFFAOYSA-N -1 1 268.316 2.969 20 30 CFEDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)CC#N)c1[O-] ZINC000063087494 260237888 /nfs/dbraw/zinc/23/78/88/260237888.db2.gz VFMJUFGBRRAPPI-SECBINFHSA-N -1 1 280.755 2.982 20 30 CFEDMM C[C@H](CCC#N)Sc1nc(-c2ccccn2)n[nH]1 ZINC000188316827 262154024 /nfs/dbraw/zinc/15/40/24/262154024.db2.gz AZEIJZRNYYKQPB-SECBINFHSA-N -1 1 259.338 2.651 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2C2CCC2)cc1[O-] ZINC000188438863 262297479 /nfs/dbraw/zinc/29/74/79/262297479.db2.gz UDCRWDIUGAGRNC-AWEZNQCLSA-N -1 1 270.332 2.669 20 30 CFEDMM CC1(C)CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188487906 262301425 /nfs/dbraw/zinc/30/14/25/262301425.db2.gz FEUYIZPVHAQGFR-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188591199 262321879 /nfs/dbraw/zinc/32/18/79/262321879.db2.gz NGNHIWVSJXXGCM-WDEREUQCSA-N -1 1 258.321 2.524 20 30 CFEDMM N#CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000271974478 263000776 /nfs/dbraw/zinc/00/07/76/263000776.db2.gz XOHOBWOCFXHSIJ-UHFFFAOYSA-N -1 1 284.237 2.539 20 30 CFEDMM N#CCCN(Cc1ccccn1)Cc1cccc(F)c1[O-] ZINC000272311639 263003211 /nfs/dbraw/zinc/00/32/11/263003211.db2.gz RPTVVPVOTOKPSF-UHFFFAOYSA-N -1 1 285.322 2.842 20 30 CFEDMM CCOc1cc(C(=O)N[C@@H](C#N)C(C)C)cc(Cl)c1[O-] ZINC000273919030 263020660 /nfs/dbraw/zinc/02/06/60/263020660.db2.gz FIPIDOUOQXHMDX-NSHDSACASA-N -1 1 296.754 2.722 20 30 CFEDMM C=CCN(CCOC)Cc1cccc([O-])c1Cl ZINC000353192003 263053871 /nfs/dbraw/zinc/05/38/71/263053871.db2.gz ABFGGPQCIITFOF-UHFFFAOYSA-N -1 1 255.745 2.680 20 30 CFEDMM N#CCSCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289450793 263110170 /nfs/dbraw/zinc/11/01/70/263110170.db2.gz DYBYTXBSNUBALJ-UHFFFAOYSA-N -1 1 291.348 2.859 20 30 CFEDMM N#C[C@H]1CC[C@@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000295436273 263177422 /nfs/dbraw/zinc/17/74/22/263177422.db2.gz VEKWAEIBELMJMZ-WCBMZHEXSA-N -1 1 261.350 2.844 20 30 CFEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1(C)C ZINC000408434612 277747533 /nfs/dbraw/zinc/74/75/33/277747533.db2.gz ZLMOABMHRRWXHX-LLVKDONJSA-N -1 1 272.348 2.772 20 30 CFEDMM C=CC[C@@H]1N(C(=O)c2cncc([O-])c2)CCCC1(C)C ZINC000278401894 277884271 /nfs/dbraw/zinc/88/42/71/277884271.db2.gz GVORIKIREXOECT-AWEZNQCLSA-N -1 1 274.364 2.994 20 30 CFEDMM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336406229 278544988 /nfs/dbraw/zinc/54/49/88/278544988.db2.gz RJYDINHTGFMKDN-CQSZACIVSA-N -1 1 272.348 2.915 20 30 CFEDMM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188420958 279684516 /nfs/dbraw/zinc/68/45/16/279684516.db2.gz BQZQCSYLLVJPBN-QWRGUYRKSA-N -1 1 272.348 2.818 20 30 CFEDMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000356627955 280083528 /nfs/dbraw/zinc/08/35/28/280083528.db2.gz XHCJVZODHDJQRV-QLJPJBMISA-N -1 1 294.310 2.516 20 30 CFEDMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336447012 281115011 /nfs/dbraw/zinc/11/50/11/281115011.db2.gz PRNSTRRECHKSRT-GWCFXTLKSA-N -1 1 258.321 2.667 20 30 CFEDMM CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561504312 282056346 /nfs/dbraw/zinc/05/63/46/282056346.db2.gz KWKABIRMTSXUIH-STQMWFEESA-N -1 1 296.392 2.644 20 30 CFEDMM C[C@]12CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000564177263 290195231 /nfs/dbraw/zinc/19/52/31/290195231.db2.gz CVPMFHAQPQUKFF-DQADVMEASA-N -1 1 296.370 2.772 20 30 CFEDMM CC(F)(F)C(=O)[N-][C@@H](C#N)c1ccc(Cl)cc1 ZINC000293329553 328275262 /nfs/dbraw/zinc/27/52/62/328275262.db2.gz IFWSWIBPIYIGIU-VIFPVBQESA-N -1 1 258.655 2.676 20 30 CFEDMM N#Cc1c(F)cccc1C(=O)Nc1cccc([O-])c1F ZINC000187398481 323995122 /nfs/dbraw/zinc/99/51/22/323995122.db2.gz HDPWOEYNGUEVDB-UHFFFAOYSA-N -1 1 274.226 2.794 20 30 CFEDMM C[C@H](N(C)C(=O)c1ccc(C#N)c([O-])c1)C1(C)CC1 ZINC000188632200 324018952 /nfs/dbraw/zinc/01/89/52/324018952.db2.gz CMULCJFCDSMOEV-JTQLQIEISA-N -1 1 258.321 2.524 20 30 CFEDMM Cc1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccc1C#N ZINC000350831846 324265354 /nfs/dbraw/zinc/26/53/54/324265354.db2.gz GPYJGWLQPCHANQ-UHFFFAOYSA-N -1 1 296.261 2.823 20 30 CFEDMM CC[C@](C)(C#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000539626225 327114479 /nfs/dbraw/zinc/11/44/79/327114479.db2.gz ALXIOZYTZPGSOQ-GFCCVEGCSA-N -1 1 286.253 2.833 20 30 CFEDMM CCn1nc(C)c(/C=C2\Oc3cc([O-])ccc3C2=O)c1C ZINC000076106392 327128903 /nfs/dbraw/zinc/12/89/03/327128903.db2.gz HTCOXKVGZIPLMB-NVNXTCNLSA-N -1 1 284.315 2.842 20 30 CFEDMM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000050391572 329646988 /nfs/dbraw/zinc/64/69/88/329646988.db2.gz BVKGRLGEXPIITJ-YFKPBYRVSA-N -1 1 299.204 2.635 20 30 CFEDMM C=CCC1(CN=c2nc(COC)[n-]s2)CCCC1 ZINC000450845243 331002450 /nfs/dbraw/zinc/00/24/50/331002450.db2.gz MQFDIIIPLSZCCZ-UHFFFAOYSA-N -1 1 267.398 2.655 20 30 CFEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451391215 331027066 /nfs/dbraw/zinc/02/70/66/331027066.db2.gz HCGYCIWFTBKFIB-LLVKDONJSA-N -1 1 296.323 2.542 20 30 CFEDMM C=CCC1(CNC(=O)C(=O)c2ccc([O-])cc2)CCCC1 ZINC000456506232 331194624 /nfs/dbraw/zinc/19/46/24/331194624.db2.gz MUJUCECWLLZZRH-UHFFFAOYSA-N -1 1 287.359 2.828 20 30 CFEDMM C#C[C@@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000491284908 332180807 /nfs/dbraw/zinc/18/08/07/332180807.db2.gz AQNNAPSEWSVJMI-MRVPVSSYSA-N -1 1 271.238 2.505 20 30 CFEDMM C#C[C@H](C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000491633843 332255241 /nfs/dbraw/zinc/25/52/41/332255241.db2.gz QHFLENSUIKIDSU-NSHDSACASA-N -1 1 253.301 2.639 20 30 CFEDMM N#CCC[C@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC000132749386 334004754 /nfs/dbraw/zinc/00/47/54/334004754.db2.gz CDYSRORUCFELQQ-ZDUSSCGKSA-N -1 1 281.315 2.562 20 30 CFEDMM CCc1nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)co1 ZINC000547491016 334093683 /nfs/dbraw/zinc/09/36/83/334093683.db2.gz OVKQWYOMOIVDQU-SNVBAGLBSA-N -1 1 294.314 2.912 20 30 CFEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000049487777 525590780 /nfs/dbraw/zinc/59/07/80/525590780.db2.gz ZZRQHFOPAVKBST-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM N#Cc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000055460949 526621669 /nfs/dbraw/zinc/62/16/69/526621669.db2.gz ZOASHBWYBKMBCO-UHFFFAOYSA-N -1 1 286.718 2.847 20 30 CFEDMM C[C@@H](CC#N)N(C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736540004 574059096 /nfs/dbraw/zinc/05/90/96/574059096.db2.gz BFHNVCLCEPSWEF-NSHDSACASA-N -1 1 298.342 2.978 20 30 CFEDMM CC[C@@H](C)C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000755726921 574181329 /nfs/dbraw/zinc/18/13/29/574181329.db2.gz PXSZNADUIPQPQB-SECBINFHSA-N -1 1 290.371 2.731 20 30 CFEDMM [O-]c1c(F)cccc1C=NNCCc1ccccc1F ZINC000755775589 574187251 /nfs/dbraw/zinc/18/72/51/574187251.db2.gz QUKCTWOSWGQBRR-UHFFFAOYSA-N -1 1 276.286 2.837 20 30 CFEDMM CC(=NO[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000755820115 574189714 /nfs/dbraw/zinc/18/97/14/574189714.db2.gz HFIAIILWSUCPEI-CYBMUJFWSA-N -1 1 253.273 2.799 20 30 CFEDMM C[C@H](c1ccc(C#N)cc1)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739054996 574195309 /nfs/dbraw/zinc/19/53/09/574195309.db2.gz VHZZBHKBWFBEMB-RWMBFGLXSA-N -1 1 287.363 2.692 20 30 CFEDMM CCCN(Cc1ccccc1C#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000739358243 574209917 /nfs/dbraw/zinc/20/99/17/574209917.db2.gz AGQVONHAVDTNNZ-HNNXBMFYSA-N -1 1 287.363 2.523 20 30 CFEDMM O=C([O-])c1ccc(O)c(C=NNc2ncccc2Cl)c1 ZINC000740161445 574240594 /nfs/dbraw/zinc/24/05/94/574240594.db2.gz RPDBMBMLPZAFBQ-UHFFFAOYSA-N -1 1 291.694 2.585 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1ccccc1 ZINC000756901455 574271403 /nfs/dbraw/zinc/27/14/03/574271403.db2.gz QNEPXTGHIHPCAN-UHFFFAOYSA-N -1 1 270.288 2.839 20 30 CFEDMM CC(C)CON=Cc1cc(O)c([O-])c(Br)c1 ZINC000749631374 574303141 /nfs/dbraw/zinc/30/31/41/574303141.db2.gz LMSKNJHYZVSTLK-UHFFFAOYSA-N -1 1 288.141 2.867 20 30 CFEDMM [O-]c1c(F)cc(CN=Nc2nccnc2Cl)cc1F ZINC000749860253 574313187 /nfs/dbraw/zinc/31/31/87/574313187.db2.gz ZJJRFVWEYCLJKY-UHFFFAOYSA-N -1 1 284.653 2.560 20 30 CFEDMM COCc1cccc(CN=Nc2ccccc2C(=O)[O-])c1 ZINC000743431338 574364168 /nfs/dbraw/zinc/36/41/68/574364168.db2.gz WVUGPCXRHIYXSR-UHFFFAOYSA-N -1 1 284.315 2.977 20 30 CFEDMM CC(=Nn1cc(Br)cn1)c1ccc(F)cc1[O-] ZINC000752747995 574394574 /nfs/dbraw/zinc/39/45/74/574394574.db2.gz SVXUJRCGCUKVGF-UHFFFAOYSA-N -1 1 298.115 2.763 20 30 CFEDMM CCCCCCCC(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC000752980419 574397101 /nfs/dbraw/zinc/39/71/01/574397101.db2.gz UTATYRIVTWLNKE-UHFFFAOYSA-N -1 1 281.356 2.885 20 30 CFEDMM CCCCCCCC(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC000752980419 574397102 /nfs/dbraw/zinc/39/71/02/574397102.db2.gz UTATYRIVTWLNKE-UHFFFAOYSA-N -1 1 281.356 2.885 20 30 CFEDMM CC(=O)c1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000753019626 574397626 /nfs/dbraw/zinc/39/76/26/574397626.db2.gz RKSXNBCXCPFGBU-UHFFFAOYSA-N -1 1 294.376 2.571 20 30 CFEDMM CCOCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000900092138 620636999 /nfs/dbraw/zinc/63/69/99/620636999.db2.gz YZNBASNQZMCZIZ-UHFFFAOYSA-N -1 1 259.305 2.594 20 30 CFEDMM Cc1cc(C)c(NN=Cc2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC000822194263 599340269 /nfs/dbraw/zinc/34/02/69/599340269.db2.gz PPBRSHDYKMKNEH-UHFFFAOYSA-N -1 1 296.334 2.831 20 30 CFEDMM Cc1cc(C)c(NN=Cc2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC000822194263 599340271 /nfs/dbraw/zinc/34/02/71/599340271.db2.gz PPBRSHDYKMKNEH-UHFFFAOYSA-N -1 1 296.334 2.831 20 30 CFEDMM C=CCN(Cc1c[nH]c(C(=O)[O-])c1)Cc1cccs1 ZINC000833374281 604521590 /nfs/dbraw/zinc/52/15/90/604521590.db2.gz DYBFBZHLWUPMAC-UHFFFAOYSA-N -1 1 276.361 2.963 20 30 CFEDMM CN(CC#Cc1ccc(F)cc1)C1(C(=O)[O-])CCCC1 ZINC000833690707 604961217 /nfs/dbraw/zinc/96/12/17/604961217.db2.gz BBNAMYITPYDOJV-UHFFFAOYSA-N -1 1 275.323 2.506 20 30 CFEDMM C=C(C)CN(C)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833368658 605389882 /nfs/dbraw/zinc/38/98/82/605389882.db2.gz OXJZMFUZBNHLMK-GFCCVEGCSA-N -1 1 290.363 2.528 20 30 CFEDMM CCc1oc(C(=O)[O-])cc1CN1CCC(C)(C#N)CC1 ZINC000833679354 605680228 /nfs/dbraw/zinc/68/02/28/605680228.db2.gz XXARRKCCQFOUAK-UHFFFAOYSA-N -1 1 276.336 2.666 20 30 CFEDMM CCCCCCN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825267218 607886786 /nfs/dbraw/zinc/88/67/86/607886786.db2.gz JVECUXRURHBRSK-UHFFFAOYSA-N -1 1 291.359 2.956 20 30 CFEDMM O=C(C=Cc1cccs1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403538 608093160 /nfs/dbraw/zinc/09/31/60/608093160.db2.gz VARKDEHDXYDNSV-ARJAWSKDSA-N -1 1 288.357 2.886 20 30 CFEDMM O=C(C=Cc1cccs1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403538 608093161 /nfs/dbraw/zinc/09/31/61/608093161.db2.gz VARKDEHDXYDNSV-ARJAWSKDSA-N -1 1 288.357 2.886 20 30 CFEDMM O=C(/C=C\c1cnc2ccccn12)c1ccc([O-])cc1 ZINC000255378733 617699610 /nfs/dbraw/zinc/69/96/10/617699610.db2.gz SIHMSVKIOPXZJK-TWGQIWQCSA-N -1 1 264.284 2.936 20 30 CFEDMM CC(C)(C)[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000900970175 620734723 /nfs/dbraw/zinc/73/47/23/620734723.db2.gz AHPXHMPFZDMGCF-GFCCVEGCSA-N -1 1 291.301 2.705 20 30 CFEDMM C#C[C@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000890651796 617737010 /nfs/dbraw/zinc/73/70/10/617737010.db2.gz XCYUQAQGORTWAT-JTQLQIEISA-N -1 1 263.724 2.674 20 30 CFEDMM C=C(C)COC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000052171517 618139380 /nfs/dbraw/zinc/13/93/80/618139380.db2.gz JYHWCVFMRIGPFS-UHFFFAOYSA-N -1 1 297.376 2.571 20 30 CFEDMM C[C@@H]1C[C@@H](NN=Cc2cccc([O-])c2Cl)C[C@H](C)O1 ZINC000901305218 620781226 /nfs/dbraw/zinc/78/12/26/620781226.db2.gz XSWHPPIJYFYTSD-PEGIJTEDSA-N -1 1 282.771 2.925 20 30 CFEDMM Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc([O-])c(F)c1 ZINC000179327129 618260265 /nfs/dbraw/zinc/26/02/65/618260265.db2.gz AUGSUEORLZDBDX-FNORWQNLSA-N -1 1 274.295 2.778 20 30 CFEDMM COC(=O)c1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)o1 ZINC000255836752 618327310 /nfs/dbraw/zinc/32/73/10/618327310.db2.gz NZFQPVFHGKYYCQ-LUAWRHEFSA-N -1 1 298.294 2.984 20 30 CFEDMM CC(C)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)on1 ZINC000901372023 620797251 /nfs/dbraw/zinc/79/72/51/620797251.db2.gz NEQRGESERYKNFN-UHFFFAOYSA-N -1 1 278.283 2.969 20 30 CFEDMM N#CCCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892794576 618748134 /nfs/dbraw/zinc/74/81/34/618748134.db2.gz DRRANLCSJDYJQW-UHFFFAOYSA-N -1 1 281.743 2.539 20 30 CFEDMM O=C([O-])c1cccc(/C=C\C(=O)c2ccccc2O)c1 ZINC000216385120 619084625 /nfs/dbraw/zinc/08/46/25/619084625.db2.gz GTVBOLIMAPUGAJ-HJWRWDBZSA-N -1 1 268.268 2.987 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NOCc2ccccc2)c1 ZINC000726737011 619258777 /nfs/dbraw/zinc/25/87/77/619258777.db2.gz DQDSFBAIHMADQN-UHFFFAOYSA-N -1 1 285.299 2.730 20 30 CFEDMM C#C[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000896315016 619716420 /nfs/dbraw/zinc/71/64/20/619716420.db2.gz NYDIAWMQYXZMFI-GFCCVEGCSA-N -1 1 292.766 2.743 20 30 CFEDMM C=CC(C)(C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000896315812 619717067 /nfs/dbraw/zinc/71/70/67/619717067.db2.gz ZIEOYNJFTJKUOH-UHFFFAOYSA-N -1 1 268.744 2.809 20 30 CFEDMM CCCCCCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000862357511 620111211 /nfs/dbraw/zinc/11/12/11/620111211.db2.gz WWVZLHDANBAZGQ-UHFFFAOYSA-N -1 1 260.337 2.964 20 30 CFEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)C(C)(C)C ZINC000785589725 620224426 /nfs/dbraw/zinc/22/44/26/620224426.db2.gz ACSIMLQHZNQVDN-JTQLQIEISA-N -1 1 260.337 2.676 20 30 CFEDMM C#CCCc1cc(=O)n(-c2ccc(OC(F)F)cc2)[n-]1 ZINC000899349982 620549783 /nfs/dbraw/zinc/54/97/83/620549783.db2.gz QSMXNUVFEQMXDU-UHFFFAOYSA-N -1 1 278.258 2.794 20 30 CFEDMM Cc1[n-]n(-c2cc(C#N)cc(Cl)n2)c(=O)c1C(C)C ZINC000899351244 620550699 /nfs/dbraw/zinc/55/06/99/620550699.db2.gz DMIPJOAGFNFPTC-GFCCVEGCSA-N -1 1 276.727 2.601 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2c3c(nn2C)CCC3)c1 ZINC000899363045 620550712 /nfs/dbraw/zinc/55/07/12/620550712.db2.gz BULPFLQGKOYJDK-VQHVLOKHSA-N -1 1 298.342 2.519 20 30 CFEDMM Cn1nc2c(c1/C=C\C(=O)c1cccc([O-])c1F)CCC2 ZINC000899390252 620557998 /nfs/dbraw/zinc/55/79/98/620557998.db2.gz WAMKHGQAODUKDG-HJWRWDBZSA-N -1 1 286.306 2.650 20 30 CFEDMM C=CCOC[C@@H](NCc1cc2ccccc2s1)C(=O)[O-] ZINC000901810292 620921562 /nfs/dbraw/zinc/92/15/62/620921562.db2.gz KTAWLBRBMBWMMS-CYBMUJFWSA-N -1 1 291.372 2.647 20 30 CFEDMM C=C(C)CC[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903921463 621473948 /nfs/dbraw/zinc/47/39/48/621473948.db2.gz NZYNYHYAIVJAEO-UHFFFAOYSA-N -1 1 261.321 2.545 20 30 CFEDMM O=C([C@@H]1CCCCO1)N([O-])Cc1ccccc1Cl ZINC000904190145 621545841 /nfs/dbraw/zinc/54/58/41/621545841.db2.gz IGPUTICWWHOUMP-LBPRGKRZSA-N -1 1 269.728 2.627 20 30 CFEDMM N#CCC1(CNC(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000907934972 622178717 /nfs/dbraw/zinc/17/87/17/622178717.db2.gz GRSBPNGWRMMRAA-UHFFFAOYSA-N -1 1 299.305 2.503 20 30 CFEDMM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC000908652452 622254771 /nfs/dbraw/zinc/25/47/71/622254771.db2.gz MZUUUHGXKWBLSO-CQSZACIVSA-N -1 1 291.322 2.671 20 30 CFEDMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(C)(C#N)CC1 ZINC000833546703 625569599 /nfs/dbraw/zinc/56/95/99/625569599.db2.gz LATRBHQQJWCELZ-JTQLQIEISA-N -1 1 262.309 2.664 20 30 CFEDMM C=CCC1(C(=O)Nc2cc(F)cc(F)c2[O-])CCOCC1 ZINC000910986075 622495485 /nfs/dbraw/zinc/49/54/85/622495485.db2.gz HKUHADINPIMOTO-UHFFFAOYSA-N -1 1 297.301 2.982 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910992469 622496977 /nfs/dbraw/zinc/49/69/77/622496977.db2.gz KALYUENDOZEQDU-ZANVPECISA-N -1 1 283.274 2.590 20 30 CFEDMM Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccc([O-])cc1 ZINC000028678250 622554275 /nfs/dbraw/zinc/55/42/75/622554275.db2.gz YRPIAWQAUBHOCI-BQYQJAHWSA-N -1 1 276.723 2.984 20 30 CFEDMM N#CC(=C([O-])C=C[C@@H]1CCCO1)c1cnc2ccccc2n1 ZINC000820853560 622775153 /nfs/dbraw/zinc/77/51/53/622775153.db2.gz XLPZVJYIHMPHLL-FVWNJDPFSA-N -1 1 293.326 2.541 20 30 CFEDMM Cc1n[nH]c(C)c1/C=C/C(=O)c1cc(C)ccc1[O-] ZINC000156696298 622957472 /nfs/dbraw/zinc/95/74/72/622957472.db2.gz YNDPAJNOGZHBMD-FNORWQNLSA-N -1 1 256.305 2.937 20 30 CFEDMM Cc1ncsc1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000172816799 623309360 /nfs/dbraw/zinc/30/93/60/623309360.db2.gz BSWUZQIHYFHCSJ-WZUFQYTHSA-N -1 1 259.286 2.773 20 30 CFEDMM C#CCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000174575843 623431492 /nfs/dbraw/zinc/43/14/92/623431492.db2.gz PKWUFOAHRQXGLT-UHFFFAOYSA-N -1 1 253.301 2.689 20 30 CFEDMM CC(=NN[C@H](C)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000835000936 623925080 /nfs/dbraw/zinc/92/50/80/623925080.db2.gz NBJNAGWUVDQQCH-ZCFIWIBFSA-N -1 1 282.212 2.935 20 30 CFEDMM CC(=NN[C@@H](C)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000835000922 623925182 /nfs/dbraw/zinc/92/51/82/623925182.db2.gz NBJNAGWUVDQQCH-LURJTMIESA-N -1 1 282.212 2.935 20 30 CFEDMM CC1(C)OCC[C@@H]1NN=Cc1cccc([O-])c1Cl ZINC000835021083 623936007 /nfs/dbraw/zinc/93/60/07/623936007.db2.gz MNVXPJWCEQLONW-NSHDSACASA-N -1 1 268.744 2.537 20 30 CFEDMM C=CCCC[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000827866772 624116642 /nfs/dbraw/zinc/11/66/42/624116642.db2.gz QAHOFGLEMARFTH-SECBINFHSA-N -1 1 267.300 2.712 20 30 CFEDMM Cc1n[nH]c(C)c1/C=C1\Oc2cc([O-])cc(C)c2C1=O ZINC000915988821 624205051 /nfs/dbraw/zinc/20/50/51/624205051.db2.gz IWENRWSUYXEHIK-MLPAPPSSSA-N -1 1 270.288 2.657 20 30 CFEDMM CCc1cccc2c(C=NNc3nc(C)cc(=O)[n-]3)c[nH]c21 ZINC000916241524 624230090 /nfs/dbraw/zinc/23/00/90/624230090.db2.gz IBFWUFIVSYFHBC-UHFFFAOYSA-N -1 1 295.346 2.980 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(Cl)ccc1O ZINC000916241716 624230924 /nfs/dbraw/zinc/23/09/24/624230924.db2.gz PNPVUMYCDYQCDH-UHFFFAOYSA-N -1 1 292.726 2.686 20 30 CFEDMM Cc1cc(C)c(C=NNc2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000916241560 624231041 /nfs/dbraw/zinc/23/10/41/624231041.db2.gz KUSRMTXXLPZMEN-UHFFFAOYSA-N -1 1 270.336 2.862 20 30 CFEDMM Cc1ccc2c(c1)C(=NNc1nc(C)cc(=O)[n-]1)CCCO2 ZINC000916242022 624231683 /nfs/dbraw/zinc/23/16/83/624231683.db2.gz WMAGZTLFZJPOTG-UHFFFAOYSA-N -1 1 298.346 2.788 20 30 CFEDMM C=CCN(Cc1nc(=O)c2sccc2[n-]1)C(C)C ZINC000917166746 624320061 /nfs/dbraw/zinc/32/00/61/624320061.db2.gz DPVCHAZNUKUVPO-UHFFFAOYSA-N -1 1 263.366 2.793 20 30 CFEDMM CSc1ccc(C=NNc2ncnc3[nH]cnc32)cc1 ZINC000917554502 624358738 /nfs/dbraw/zinc/35/87/38/624358738.db2.gz AKBKQRSCVCFMAV-UHFFFAOYSA-N -1 1 284.348 2.521 20 30 CFEDMM C#CC[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000829788765 624538459 /nfs/dbraw/zinc/53/84/59/624538459.db2.gz GJNONPJGMJYDMT-NSHDSACASA-N -1 1 287.388 2.632 20 30 CFEDMM C#CC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C1CC1 ZINC000175337548 624947973 /nfs/dbraw/zinc/94/79/73/624947973.db2.gz MULZCKQWMMCQLB-CQSZACIVSA-N -1 1 284.315 2.937 20 30 CFEDMM C#CC(C)(C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000070119535 625269936 /nfs/dbraw/zinc/26/99/36/625269936.db2.gz ORTYCXGFSPSZAC-UHFFFAOYSA-N -1 1 253.301 2.687 20 30 CFEDMM N#C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C1CC1 ZINC000768178329 625874178 /nfs/dbraw/zinc/87/41/78/625874178.db2.gz COTCPHGLZDNXQA-NSHDSACASA-N -1 1 284.693 2.850 20 30 CFEDMM Cc1noc(C)c1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000187221494 626480844 /nfs/dbraw/zinc/48/08/44/626480844.db2.gz CCNFOKCNIJNKIB-YRNVUSSQSA-N -1 1 255.273 2.819 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(Cl)s2)n1 ZINC000839381162 626534785 /nfs/dbraw/zinc/53/47/85/626534785.db2.gz HBSPOYKQBRTIIY-UHFFFAOYSA-N -1 1 268.729 2.652 20 30 CFEDMM CC(=NNc1ccncc1Cl)c1cc(F)cc(F)c1[O-] ZINC000757464656 626552852 /nfs/dbraw/zinc/55/28/52/626552852.db2.gz DSUNUWRELZQXMD-UHFFFAOYSA-N -1 1 297.692 2.977 20 30 CFEDMM N#CCOc1cccc(/C=C\C(=O)c2cc(O)ccc2[O-])c1 ZINC000757467038 626552987 /nfs/dbraw/zinc/55/29/87/626552987.db2.gz AZEBHUVOXNKUPH-XQRVVYSFSA-N -1 1 295.294 2.896 20 30 CFEDMM CC[C@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000758950025 626620373 /nfs/dbraw/zinc/62/03/73/626620373.db2.gz XUDJZTXAZVWIBL-SNVBAGLBSA-N -1 1 272.682 2.850 20 30 CFEDMM Cc1cc(C)c(CN=Nc2ccc(C(=O)[O-])cc2)[nH]1 ZINC000760217467 626720182 /nfs/dbraw/zinc/72/01/82/626720182.db2.gz GPWFQCVAPJIVBM-UHFFFAOYSA-N -1 1 257.293 2.776 20 30 CFEDMM N#Cc1c(F)ccc(C=C2SC(=S)[N-]C2=O)c1Cl ZINC000761375686 626829914 /nfs/dbraw/zinc/82/99/14/626829914.db2.gz IDFDXAWUNFZOFV-FPYGCLRLSA-N -1 1 298.751 2.840 20 30 CFEDMM O=C1c2ccccc2CCN1N=Cc1cccc(F)c1[O-] ZINC000769592190 627459320 /nfs/dbraw/zinc/45/93/20/627459320.db2.gz GPGOMBDPIRHIIU-UHFFFAOYSA-N -1 1 284.290 2.564 20 30 CFEDMM CN(C(=O)c1c([O-])cccc1Cl)C1(C#N)CCC1 ZINC000769731130 627470229 /nfs/dbraw/zinc/47/02/29/627470229.db2.gz HAZVLAGBGLZELA-UHFFFAOYSA-N -1 1 264.712 2.564 20 30 CFEDMM CC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C(C)C ZINC000769806760 627476436 /nfs/dbraw/zinc/47/64/36/627476436.db2.gz BYZRKMXWBUYDMI-UHFFFAOYSA-N -1 1 290.371 2.731 20 30 CFEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1c([O-])cccc1Cl ZINC000769952521 627490959 /nfs/dbraw/zinc/49/09/59/627490959.db2.gz HEPUOROOMOBMMB-SNVBAGLBSA-N -1 1 266.728 2.714 20 30 CFEDMM C=CC[C@@H](NC(=O)c1c([O-])cccc1F)c1ccncc1 ZINC000772063542 627669659 /nfs/dbraw/zinc/66/96/59/627669659.db2.gz DQYUJAPTQIKEBR-CYBMUJFWSA-N -1 1 286.306 2.974 20 30 CFEDMM N#Cc1cccc(COC(=O)c2ccc([O-])cc2F)c1F ZINC000775012202 627985246 /nfs/dbraw/zinc/98/52/46/627985246.db2.gz QHQGMLDELNOEPA-UHFFFAOYSA-N -1 1 289.237 2.899 20 30 CFEDMM CCCCCCCC[C@H](C)CC(=O)Nc1nnn[n-]1 ZINC000775535362 628035166 /nfs/dbraw/zinc/03/51/66/628035166.db2.gz IJBKRSWPEFTNHF-NSHDSACASA-N -1 1 267.377 2.915 20 30 CFEDMM CCCCCCCC[C@H](C)CC(=O)Nc1nn[n-]n1 ZINC000775535362 628035171 /nfs/dbraw/zinc/03/51/71/628035171.db2.gz IJBKRSWPEFTNHF-NSHDSACASA-N -1 1 267.377 2.915 20 30 CFEDMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1cccc(C#N)c1 ZINC000776161360 628108945 /nfs/dbraw/zinc/10/89/45/628108945.db2.gz MZYLTTOAYGQEJD-JTQLQIEISA-N -1 1 284.290 2.894 20 30 CFEDMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(C#N)c1 ZINC000776161364 628109201 /nfs/dbraw/zinc/10/92/01/628109201.db2.gz MZYLTTOAYGQEJD-SNVBAGLBSA-N -1 1 284.290 2.894 20 30 CFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc(F)nc2)c1 ZINC000777467290 628228634 /nfs/dbraw/zinc/22/86/34/628228634.db2.gz KIEZHPXVLDYABM-RJRFIUFISA-N -1 1 287.246 2.521 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(F)nc1)O2 ZINC000777466233 628228770 /nfs/dbraw/zinc/22/87/70/628228770.db2.gz BHYKWMFBPQWGFD-LFYBBSHMSA-N -1 1 271.247 2.851 20 30 CFEDMM C=CCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000778830368 628335303 /nfs/dbraw/zinc/33/53/03/628335303.db2.gz ZKWLWVDKNVNACS-UHFFFAOYSA-N -1 1 271.110 2.888 20 30 CFEDMM COc1cccc(N=NCc2ccc([O-])c(Cl)c2)n1 ZINC000779820308 628411302 /nfs/dbraw/zinc/41/13/02/628411302.db2.gz GTUPRZJKHYVCQJ-UHFFFAOYSA-N -1 1 277.711 2.895 20 30 CFEDMM Cn1ncc(Cl)c1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000780189061 628438129 /nfs/dbraw/zinc/43/81/29/628438129.db2.gz USGWGOVFQOIYFF-RMKNXTFCSA-N -1 1 274.707 2.602 20 30 CFEDMM C#CCC1(C(=O)[N-]OCCC(F)(F)F)CCCCC1 ZINC000788249940 629053182 /nfs/dbraw/zinc/05/31/82/629053182.db2.gz PSBUAUZSBJBVJH-UHFFFAOYSA-N -1 1 277.286 2.960 20 30 CFEDMM CC[C@H](C)CON=C1Oc2cc([O-])cc(C)c2C1=O ZINC000793145388 629492438 /nfs/dbraw/zinc/49/24/38/629492438.db2.gz JAKPNNHREUHHBY-QMMMGPOBSA-N -1 1 263.293 2.652 20 30 CFEDMM CC(=NNCCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000794546499 629659329 /nfs/dbraw/zinc/65/93/29/629659329.db2.gz TXKBJNSHNVKVHR-UHFFFAOYSA-N -1 1 264.222 2.797 20 30 CFEDMM Cc1cnn(C)c1/C=C\C(=O)c1c(C)cc(C)cc1[O-] ZINC000794713648 629678714 /nfs/dbraw/zinc/67/87/14/629678714.db2.gz OBFONWMYFYUKJJ-WAYWQWQTSA-N -1 1 270.332 2.947 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000799463099 630311195 /nfs/dbraw/zinc/31/11/95/630311195.db2.gz XVTJMZCKWVCGOG-UHFFFAOYSA-N -1 1 298.224 2.573 20 30 CFEDMM CC[C@](C)(C#N)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000803782364 630643405 /nfs/dbraw/zinc/64/34/05/630643405.db2.gz OODRHYCCXDTLMR-MRXNPFEDSA-N -1 1 289.331 2.620 20 30 CFEDMM O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2)c(O)c1 ZINC000806558396 630810687 /nfs/dbraw/zinc/81/06/87/630810687.db2.gz BFNVMKVDVXPMSS-TWGQIWQCSA-N -1 1 268.268 2.987 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cc(F)ncc1F ZINC000806568399 630813496 /nfs/dbraw/zinc/81/34/96/630813496.db2.gz WRJXEHWELZASKI-KGVSQERTSA-N -1 1 275.210 2.682 20 30 CFEDMM CCCC[C@@H](C)C(C)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000807972630 630928279 /nfs/dbraw/zinc/92/82/79/630928279.db2.gz GNBQEVUXCZSJKM-SECBINFHSA-N -1 1 290.371 2.683 20 30 CFEDMM O=C([O-])c1ccccc1C=NNc1nccnc1C1CCC1 ZINC000807991481 630932923 /nfs/dbraw/zinc/93/29/23/630932923.db2.gz MUTOMYFUMHZMRF-UHFFFAOYSA-N -1 1 296.330 2.888 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1C=NN[C@H]1CCSC1 ZINC000807999907 630936650 /nfs/dbraw/zinc/93/66/50/630936650.db2.gz XKZONGBBTVIUTK-ZETCQYMHSA-N -1 1 274.748 2.614 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C\c2cnccn2)c([O-])c1 ZINC000809155950 631090817 /nfs/dbraw/zinc/09/08/17/631090817.db2.gz AIBLXZDIYNYNTB-ARJAWSKDSA-N -1 1 254.289 2.695 20 30 CFEDMM C=CC[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000840539309 631163565 /nfs/dbraw/zinc/16/35/65/631163565.db2.gz WZYRIZLVSULMEP-NSHDSACASA-N -1 1 257.255 2.852 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC/C=C\c2ccccc2)c1 ZINC000809681457 631260288 /nfs/dbraw/zinc/26/02/88/631260288.db2.gz WMYKUWZJPGQBLT-DAXSKMNVSA-N -1 1 278.311 2.707 20 30 CFEDMM Cc1cc(Cl)ncc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809725355 631271151 /nfs/dbraw/zinc/27/11/51/631271151.db2.gz PNIDQOUINWEWHK-UHFFFAOYSA-N -1 1 287.706 2.873 20 30 CFEDMM CC(=NN[C@H](C)CC#N)c1ccc(Cl)cc1[O-] ZINC000841631748 631437656 /nfs/dbraw/zinc/43/76/56/631437656.db2.gz GJGXFNOMUGWJSS-MRVPVSSYSA-N -1 1 251.717 2.661 20 30 CFEDMM Cc1cc(C(=O)/C=C\c2nc(C#N)cs2)ccc1[O-] ZINC000811690094 631606191 /nfs/dbraw/zinc/60/61/91/631606191.db2.gz UPQJMGVYMXYJGV-PLNGDYQASA-N -1 1 270.313 2.925 20 30 CFEDMM [O-]c1cccc(C=NNC23CC(C2)C3)c1Br ZINC000842543186 631659442 /nfs/dbraw/zinc/65/94/42/631659442.db2.gz DRJBEZKXISUINT-UHFFFAOYSA-N -1 1 281.153 2.631 20 30 CFEDMM C#CCO[N-]C(=O)Cc1coc2ccc3ccccc3c12 ZINC000812785577 631774220 /nfs/dbraw/zinc/77/42/20/631774220.db2.gz XBLCYGDRRQGRIZ-UHFFFAOYSA-N -1 1 279.295 2.810 20 30 CFEDMM CC1(C)C[C@H](NN=Cc2cccc([O-])c2Cl)CCO1 ZINC000814909837 632160570 /nfs/dbraw/zinc/16/05/70/632160570.db2.gz LPANXWFUCAPQKW-LLVKDONJSA-N -1 1 282.771 2.927 20 30 CFEDMM Cc1cccnc1N=NC(C)c1cc(C(=O)[O-])cs1 ZINC000814911550 632161502 /nfs/dbraw/zinc/16/15/02/632161502.db2.gz NLSIVTJXSFUGFV-UHFFFAOYSA-N -1 1 275.333 2.986 20 30 CFEDMM Cc1ccc(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)nc1 ZINC000844583233 632254903 /nfs/dbraw/zinc/25/49/03/632254903.db2.gz UFKQVDLWXWOQCV-UHFFFAOYSA-N -1 1 293.330 2.515 20 30 CFEDMM CN(CC(C)(C)C#N)C(=O)c1c([O-])cccc1Cl ZINC000817611519 632676176 /nfs/dbraw/zinc/67/61/76/632676176.db2.gz ONCUJYKQNYYJFC-UHFFFAOYSA-N -1 1 266.728 2.667 20 30 CFEDMM C=C(C)CO[N-]C(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000846534796 632724529 /nfs/dbraw/zinc/72/45/29/632724529.db2.gz BQYVOZRLNDNHOI-GFCCVEGCSA-N -1 1 272.348 2.906 20 30 CFEDMM CC(NNc1ccc(CC(=O)[O-])cc1)=C1CC1(F)F ZINC000848415125 633253414 /nfs/dbraw/zinc/25/34/14/633253414.db2.gz WTTOBOKQIQLUPY-NSHDSACASA-N -1 1 268.263 2.757 20 30 CFEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1cc2n(n1)CCC2 ZINC000849245502 633589188 /nfs/dbraw/zinc/58/91/88/633589188.db2.gz JOWKSSIOJZJOIL-XYOKQWHBSA-N -1 1 280.327 2.747 20 30 CFEDMM C=C(C)[C@@H]1CC=C(C)C(=NNc2nc(C)cc(=O)[n-]2)C1 ZINC000007809794 634313355 /nfs/dbraw/zinc/31/33/55/634313355.db2.gz DPMHETNTEIZJQI-GFCCVEGCSA-N -1 1 272.352 2.779 20 30 CFEDMM C=C(C)C[C@H](C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000854506197 635320751 /nfs/dbraw/zinc/32/07/51/635320751.db2.gz QKFLPKAJOCLWQP-JTQLQIEISA-N -1 1 274.320 2.993 20 30 CFEDMM CC(C)([N-]C(=O)C(F)(F)C(F)F)c1cccc(C#N)c1 ZINC000855362665 635518710 /nfs/dbraw/zinc/51/87/10/635518710.db2.gz OKFJIPJKXYAKNN-UHFFFAOYSA-N -1 1 288.244 2.810 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC[C@@H]2CC2(Cl)Cl)c1 ZINC000857382150 635972187 /nfs/dbraw/zinc/97/21/87/635972187.db2.gz YWEMHQHKBGFPEM-SNVBAGLBSA-N -1 1 299.157 2.578 20 30 CFEDMM N#Cc1c[n-]c(=NOC[C@@H]2CCOC2)c2sccc21 ZINC000865720762 638534141 /nfs/dbraw/zinc/53/41/41/638534141.db2.gz KGUCPLFJTAQCQU-SECBINFHSA-N -1 1 275.333 2.548 20 30 CFEDMM C[C@@H](Nc1cnn(CC(F)F)c1)c1cccc(C#N)c1[O-] ZINC000866324504 638797003 /nfs/dbraw/zinc/79/70/03/638797003.db2.gz XZJUMXAPMOTOMN-SECBINFHSA-N -1 1 292.289 2.899 20 30 CFEDMM C[C@H](Nc1cnn(CC(F)F)c1)c1cccc(C#N)c1[O-] ZINC000866324505 638797085 /nfs/dbraw/zinc/79/70/85/638797085.db2.gz XZJUMXAPMOTOMN-VIFPVBQESA-N -1 1 292.289 2.899 20 30 CFEDMM Cc1nnc([C@H](C)N[C@@H](C)c2cccc(C#N)c2[O-])s1 ZINC000866338748 638798986 /nfs/dbraw/zinc/79/89/86/638798986.db2.gz XACIUONWRMLBKL-IUCAKERBSA-N -1 1 288.376 2.836 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)s2)c(=O)o1 ZINC000122150369 638943646 /nfs/dbraw/zinc/94/36/46/638943646.db2.gz YMPYRWZEGLTCQB-FXMSTWTQSA-N -1 1 296.731 2.630 20 30 CFEDMM C#CC[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000869073776 639024038 /nfs/dbraw/zinc/02/40/38/639024038.db2.gz MTEMYBHFVJQZRD-GFCCVEGCSA-N -1 1 291.778 2.850 20 30 CFEDMM CCCCCCCCS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000191027749 650475212 /nfs/dbraw/zinc/47/52/12/650475212.db2.gz MAECEXHOPWBKGG-UHFFFAOYSA-N -1 1 285.413 2.816 20 30 CFEDMM CC[C@@H]1CCC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690248 639772434 /nfs/dbraw/zinc/77/24/34/639772434.db2.gz LEZQBCKTQAQHLZ-OCCSQVGLSA-N -1 1 258.321 2.795 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@H]2CCCC23CC3)c1 ZINC000870690361 639772843 /nfs/dbraw/zinc/77/28/43/639772843.db2.gz FIWCIXNRAUPWNL-CYBMUJFWSA-N -1 1 256.305 2.549 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@H]2CCCC(F)(F)C2)c1 ZINC000870690512 639773671 /nfs/dbraw/zinc/77/36/71/639773671.db2.gz QDGZFJJPGAAPKB-NSHDSACASA-N -1 1 280.274 2.794 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000870690626 639773793 /nfs/dbraw/zinc/77/37/93/639773793.db2.gz RUCKSDAVWCXXLQ-GHMZBOCLSA-N -1 1 298.264 2.947 20 30 CFEDMM C[C@H](C#N)C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000876792675 643010541 /nfs/dbraw/zinc/01/05/41/643010541.db2.gz YGOSEAOCQLMJQN-SECBINFHSA-N -1 1 266.291 2.794 20 30 CFEDMM C[C@H](C#N)CN(Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000876792675 643010545 /nfs/dbraw/zinc/01/05/45/643010545.db2.gz YGOSEAOCQLMJQN-SECBINFHSA-N -1 1 266.291 2.794 20 30 CFEDMM C#Cc1cccc(N(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000094106383 650952417 /nfs/dbraw/zinc/95/24/17/650952417.db2.gz LTTGQYKNXXZJHF-UHFFFAOYSA-N -1 1 269.275 2.789 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc3ccccc3o2)c(=O)o1 ZINC000131078862 645620491 /nfs/dbraw/zinc/62/04/91/645620491.db2.gz VTQVIEZHDGWZBZ-MOEXGYKKSA-N -1 1 296.278 2.661 20 30 CFEDMM CC1(C)C[C@@H](NN=Cc2cc(F)cc(F)c2[O-])CCO1 ZINC000884452324 646365812 /nfs/dbraw/zinc/36/58/12/646365812.db2.gz MXIJTFOJRLFLHD-NSHDSACASA-N -1 1 284.306 2.552 20 30 CFEDMM C=CC[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000884478393 646387602 /nfs/dbraw/zinc/38/76/02/646387602.db2.gz ZSNWAAVHCRNNGH-LLVKDONJSA-N -1 1 297.376 2.570 20 30 CFEDMM C=C[C@H](CC)CC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886271549 646944342 /nfs/dbraw/zinc/94/43/42/646944342.db2.gz MMZUDDKNKKBGKG-SNVBAGLBSA-N -1 1 283.318 2.931 20 30 CFEDMM C[C@]12CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000887883248 647430337 /nfs/dbraw/zinc/43/03/37/647430337.db2.gz CVPMFHAQPQUKFF-ZJQCNOOHSA-N -1 1 296.370 2.772 20 30 CFEDMM CSc1ncc(C#N)c(-c2cccc([O-])c2F)n1 ZINC001243544808 782265672 /nfs/dbraw/zinc/26/56/72/782265672.db2.gz ZSWUWIHKGVWJQW-UHFFFAOYSA-N -1 1 261.281 2.582 20 30 CFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000088475681 769846750 /nfs/dbraw/zinc/84/67/50/769846750.db2.gz IMOAKQWARGFKRT-LURJTMIESA-N -1 1 279.148 2.647 20 30 CFEDMM Cc1ccc(C#N)cc1Nc1[nH]c(=S)[n-]c(=O)c1N=O ZINC001210495583 770296873 /nfs/dbraw/zinc/29/68/73/770296873.db2.gz WSGBKFHMBMCAIB-UHFFFAOYSA-N -1 1 287.304 2.793 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(F)nc1 ZINC000588524040 770931100 /nfs/dbraw/zinc/93/11/00/770931100.db2.gz VLWUEKMNSQBYJW-LFYBBSHMSA-N -1 1 257.220 2.543 20 30 CFEDMM Cc1noc(C)c1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000588534953 770949329 /nfs/dbraw/zinc/94/93/29/770949329.db2.gz CCNFOKCNIJNKIB-XFFZJAGNSA-N -1 1 255.273 2.819 20 30 CFEDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@](C)(C#N)C2)c1[O-] ZINC000693991627 775332750 /nfs/dbraw/zinc/33/27/50/775332750.db2.gz LWWRCYMYOUKKDR-HNNXBMFYSA-N -1 1 292.766 2.984 20 30 CFEDMM C=C(C)C[C@H](OCCCC[P@](=O)([O-])O)C(=C)C ZINC001225019661 775337330 /nfs/dbraw/zinc/33/73/30/775337330.db2.gz ZMYFHXCHQHHDTK-LBPRGKRZSA-N -1 1 262.286 2.872 20 30 CFEDMM C=CCC[C@H](CC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664293 775546697 /nfs/dbraw/zinc/54/66/97/775546697.db2.gz MKQAVCWVJORMGJ-VIFPVBQESA-N -1 1 252.270 2.819 20 30 CFEDMM C#C[C@H](CCCC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225675264 775554234 /nfs/dbraw/zinc/55/42/34/775554234.db2.gz UCJHJHDDXUPYNF-GFCCVEGCSA-N -1 1 262.305 2.871 20 30 CFEDMM CC[C@H](C#Cc1ccccc1)Oc1cc(=O)[n-]c(=S)[nH]1 ZINC001225762396 775585275 /nfs/dbraw/zinc/58/52/75/775585275.db2.gz MXVVNEALTJFAAD-GFCCVEGCSA-N -1 1 286.356 2.680 20 30 CFEDMM [O-]/N=C/c1cccc(O[C@@H]2CCc3cccnc32)c1 ZINC001226114421 775703948 /nfs/dbraw/zinc/70/39/48/775703948.db2.gz JHZWEHPQRDTXAF-NGWPFTMJSA-N -1 1 254.289 2.956 20 30 CFEDMM CCC1=C(Oc2[n-]c(=S)ncc2C2CC2)C(=O)[C@H](C)O1 ZINC001226118198 775704902 /nfs/dbraw/zinc/70/49/02/775704902.db2.gz CODXZTGARHJMQO-ZETCQYMHSA-N -1 1 292.360 2.631 20 30 CFEDMM [O-]/N=C/c1cccc(O[C@@H]2CCCC3(C2)OCCO3)c1 ZINC001226116868 775706136 /nfs/dbraw/zinc/70/61/36/775706136.db2.gz WCWHKNSCJMGPSU-DSQDWWTGSA-N -1 1 277.320 2.559 20 30 CFEDMM C=CCC[C@H](CC)Oc1[n-]c(=S)ncc1OC ZINC001226246307 775752755 /nfs/dbraw/zinc/75/27/55/775752755.db2.gz PGQBWSVISIBYJD-VIFPVBQESA-N -1 1 254.355 2.898 20 30 CFEDMM Cc1nc(=O)[n-]c(O[C@H](C#N)c2ccccc2F)c1Cl ZINC001227112632 776103151 /nfs/dbraw/zinc/10/31/51/776103151.db2.gz MPXFFDHTXVARND-SNVBAGLBSA-N -1 1 293.685 2.927 20 30 CFEDMM Cc1nc(=O)[n-]c(O[C@@H](C#N)c2ccccc2F)c1Cl ZINC001227112631 776103665 /nfs/dbraw/zinc/10/36/65/776103665.db2.gz MPXFFDHTXVARND-JTQLQIEISA-N -1 1 293.685 2.927 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H](C)CC(=O)OC ZINC001227120736 776106614 /nfs/dbraw/zinc/10/66/14/776106614.db2.gz RXLLKPNXDLKERE-SNVBAGLBSA-N -1 1 292.331 2.654 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC1CC2(COC2)C1 ZINC001227120226 776106895 /nfs/dbraw/zinc/10/68/95/776106895.db2.gz IHFLWHCMWGQFMJ-UHFFFAOYSA-N -1 1 288.343 2.881 20 30 CFEDMM C[C@@H](Oc1ccc([O-])c(C#N)c1C#N)c1ncccc1F ZINC001227617149 776245249 /nfs/dbraw/zinc/24/52/49/776245249.db2.gz ACHJDJNZOZCHPW-SECBINFHSA-N -1 1 283.262 2.810 20 30 CFEDMM CC(=O)[C@@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccccc1 ZINC001227617846 776246611 /nfs/dbraw/zinc/24/66/11/776246611.db2.gz HZJUWBZXQBWAAI-QGZVFWFLSA-N -1 1 292.294 2.845 20 30 CFEDMM C#C[C@@H](Oc1cc(Cl)c([O-])cc1Cl)C(=O)OCC ZINC001227647303 776249031 /nfs/dbraw/zinc/24/90/31/776249031.db2.gz XMBUUUQRNYPYHP-SNVBAGLBSA-N -1 1 289.114 2.643 20 30 CFEDMM C#C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1ccccc1 ZINC001227709608 776265826 /nfs/dbraw/zinc/26/58/26/776265826.db2.gz DSRAXUIHUDOPBK-ZWNOBZJWSA-N -1 1 282.299 2.527 20 30 CFEDMM C[C@@H](CC(=O)OC(C)(C)C)Oc1cc([O-])ccc1C#N ZINC001228004299 776358365 /nfs/dbraw/zinc/35/83/65/776358365.db2.gz AHHQWKSYUJTDAU-JTQLQIEISA-N -1 1 277.320 2.763 20 30 CFEDMM Cc1cn2c(n1)[C@H](Oc1cc([O-])ccc1C#N)CCC2 ZINC001228007628 776359734 /nfs/dbraw/zinc/35/97/34/776359734.db2.gz SUMBPOINKFGHLI-CYBMUJFWSA-N -1 1 269.304 2.683 20 30 CFEDMM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141344 776406534 /nfs/dbraw/zinc/40/65/34/776406534.db2.gz PMSSSGYCKWGVRJ-OUAUKWLOSA-N -1 1 293.323 2.850 20 30 CFEDMM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141342 776407149 /nfs/dbraw/zinc/40/71/49/776407149.db2.gz PMSSSGYCKWGVRJ-GARJFASQSA-N -1 1 293.323 2.850 20 30 CFEDMM C#CC[C@H](CC)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228556743 776519885 /nfs/dbraw/zinc/51/98/85/776519885.db2.gz QWWLFGOQVKURHA-NSHDSACASA-N -1 1 262.305 2.871 20 30 CFEDMM C#CC[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860259 776637222 /nfs/dbraw/zinc/63/72/22/776637222.db2.gz RZOWFRQPIHXLCB-LURJTMIESA-N -1 1 290.197 2.505 20 30 CFEDMM N#C[C@@H]1CC[C@@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229128738 776727581 /nfs/dbraw/zinc/72/75/81/776727581.db2.gz BQNQITLRQZIPGG-MWLCHTKSSA-N -1 1 271.272 2.570 20 30 CFEDMM C#C[C@@H](CC(C)C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134206 776728620 /nfs/dbraw/zinc/72/86/20/776728620.db2.gz GNFARGODIKYZJH-LBPRGKRZSA-N -1 1 272.300 2.925 20 30 CFEDMM CCO[C@@H](C)CO/C(=N\[O-])c1ccc(Cl)cc1 ZINC001223594522 776737879 /nfs/dbraw/zinc/73/78/79/776737879.db2.gz XQLCGXVQQNJDFD-GCOCVTSNSA-N -1 1 257.717 2.917 20 30 CFEDMM CCC[C@@H](Oc1ccccc1/C(C)=N/[O-])C(=O)OCC ZINC001229737224 776883925 /nfs/dbraw/zinc/88/39/25/776883925.db2.gz SDXUZSYPNBMKJD-DSQDWWTGSA-N -1 1 279.336 2.995 20 30 CFEDMM COC(C[C@H](C)Oc1ccccc1/C(C)=N/[O-])OC ZINC001229737240 776884085 /nfs/dbraw/zinc/88/40/85/776884085.db2.gz SQWMZADUYPSVMB-MKNMWBPTSA-N -1 1 267.325 2.661 20 30 CFEDMM C=CC[C@H](CCC)Oc1nc(C)[n-]c(=O)c1OC ZINC001230022915 776942066 /nfs/dbraw/zinc/94/20/66/776942066.db2.gz XPOMZNDTCMTJFD-SNVBAGLBSA-N -1 1 252.314 2.623 20 30 CFEDMM N#CC1CC(Oc2cccnc2-c2ncccc2[O-])C1 ZINC001231201125 777171119 /nfs/dbraw/zinc/17/11/19/777171119.db2.gz XRBVALJWIFNTGS-UHFFFAOYSA-N -1 1 267.288 2.530 20 30 CFEDMM C#C[C@@H](Oc1cccnc1-c1ncccc1[O-])C(C)C ZINC001231204172 777171436 /nfs/dbraw/zinc/17/14/36/777171436.db2.gz OLFVUTTTWGXBEO-CYBMUJFWSA-N -1 1 268.316 2.886 20 30 CFEDMM N#Cc1ccc(CN2CCC[C@H](F)C(F)(F)C2)c([O-])c1 ZINC001233383717 777926376 /nfs/dbraw/zinc/92/63/76/777926376.db2.gz SXPIACLCDRYJFQ-ZDUSSCGKSA-N -1 1 284.281 2.833 20 30 CFEDMM N#Cc1ccc(CN2CC[C@H](CF)C(F)(F)C2)c([O-])c1 ZINC001233383620 777927083 /nfs/dbraw/zinc/92/70/83/777927083.db2.gz ONERMCFSCBCHOL-GFCCVEGCSA-N -1 1 284.281 2.691 20 30 CFEDMM N#Cc1ccc(CN2CC[C@@H](CF)C(F)(F)C2)c([O-])c1 ZINC001233383621 777927166 /nfs/dbraw/zinc/92/71/66/777927166.db2.gz ONERMCFSCBCHOL-LBPRGKRZSA-N -1 1 284.281 2.691 20 30 CFEDMM C#CC(C#C)Oc1ccc(CC(=O)c2ccc([O-])cc2)cc1 ZINC001233947785 778120379 /nfs/dbraw/zinc/12/03/79/778120379.db2.gz ZHHFIOGPUSSTKS-UHFFFAOYSA-N -1 1 290.318 2.831 20 30 CFEDMM C=C[C@@H](CC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234039976 778149544 /nfs/dbraw/zinc/14/95/44/778149544.db2.gz UVKTZKVIUFRDME-VIFPVBQESA-N -1 1 260.293 2.693 20 30 CFEDMM C=C[C@@H](CC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234039976 778149547 /nfs/dbraw/zinc/14/95/47/778149547.db2.gz UVKTZKVIUFRDME-VIFPVBQESA-N -1 1 260.293 2.693 20 30 CFEDMM CCCCCCC[C@H](CC)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234472566 778233985 /nfs/dbraw/zinc/23/39/85/778233985.db2.gz UUPAAFKMRBGDAM-NSHDSACASA-N -1 1 295.383 2.799 20 30 CFEDMM C=CCC[C@@H](CC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234606627 778263647 /nfs/dbraw/zinc/26/36/47/778263647.db2.gz HKOQVNWOTJYWIY-SECBINFHSA-N -1 1 283.299 2.837 20 30 CFEDMM CC(C)(C)C(=O)OC1CC(Oc2ccccc2C=N[O-])C1 ZINC001234818788 778300746 /nfs/dbraw/zinc/30/07/46/778300746.db2.gz DTNYZHZNXJTUEH-UHFFFAOYSA-N -1 1 291.347 2.994 20 30 CFEDMM C=CCOCC(COCC=C)Oc1ccccc1C=N[O-] ZINC001234822859 778303284 /nfs/dbraw/zinc/30/32/84/778303284.db2.gz PSDMCXFZXQSQPN-UHFFFAOYSA-N -1 1 291.347 2.647 20 30 CFEDMM N#Cc1ccc(Nc2ccc([O-])c(F)c2F)c(O)c1 ZINC001212010973 778326231 /nfs/dbraw/zinc/32/62/31/778326231.db2.gz KPIRUHOEFKAJNP-UHFFFAOYSA-N -1 1 262.215 2.991 20 30 CFEDMM COCOc1ccc(-c2cc(/C=N/[O-])ccc2F)cn1 ZINC001235957157 778627317 /nfs/dbraw/zinc/62/73/17/778627317.db2.gz XBNUARJTYYBDGT-REZTVBANSA-N -1 1 276.267 2.679 20 30 CFEDMM N#CC1CN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078366 779007505 /nfs/dbraw/zinc/00/75/05/779007505.db2.gz QEDDMWJHNBIEBE-UHFFFAOYSA-N -1 1 257.120 2.654 20 30 CFEDMM N#CCCN(CCC#N)Cc1c([O-])ccc(F)c1Cl ZINC001237131253 779022372 /nfs/dbraw/zinc/02/23/72/779022372.db2.gz VKYDAQVXMRCXSY-UHFFFAOYSA-N -1 1 281.718 2.814 20 30 CFEDMM CS(=O)(=O)c1ccccc1-c1ccccc1C=N[O-] ZINC001239775188 779764531 /nfs/dbraw/zinc/76/45/31/779764531.db2.gz CCVQJUSCCSBSCG-UHFFFAOYSA-N -1 1 275.329 2.565 20 30 CFEDMM COC(=O)c1ccc(-c2cc(F)ccc2[O-])c(C#N)c1 ZINC001240696367 780368008 /nfs/dbraw/zinc/36/80/08/780368008.db2.gz BJXHSWQEIRCRDJ-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM N#Cc1ccc(O)c(Nc2cc(F)cc(F)c2[O-])c1 ZINC001212487484 780405233 /nfs/dbraw/zinc/40/52/33/780405233.db2.gz NDZAYRDFQULPBG-UHFFFAOYSA-N -1 1 262.215 2.991 20 30 CFEDMM COC(=O)c1cc(C#N)ccc1-c1ccc([O-])c(F)c1 ZINC001240786025 780440473 /nfs/dbraw/zinc/44/04/73/780440473.db2.gz IADOUZKJMRQQPH-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM COC[C@H](C)OC[C@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229737576 780462127 /nfs/dbraw/zinc/46/21/27/780462127.db2.gz BNWFYAARJHLTNP-HPJJITKJSA-N -1 1 281.352 2.704 20 30 CFEDMM COc1nc(-c2ccc(C)cc2[O-])c(F)cc1C#N ZINC001241035874 780606978 /nfs/dbraw/zinc/60/69/78/780606978.db2.gz HRQJXHLXURFIJF-UHFFFAOYSA-N -1 1 258.252 2.782 20 30 CFEDMM N#CCOc1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241118315 780647607 /nfs/dbraw/zinc/64/76/07/780647607.db2.gz CABMTSDDDSCWOG-UHFFFAOYSA-N -1 1 262.215 2.635 20 30 CFEDMM CSc1nc(C)c(C#N)c(-c2cc([O-])cc(F)c2)n1 ZINC001241255791 780736891 /nfs/dbraw/zinc/73/68/91/780736891.db2.gz DKDCWBANWXAQFO-UHFFFAOYSA-N -1 1 275.308 2.890 20 30 CFEDMM COc1ccc(C#N)c(-c2c(F)ccc([O-])c2F)n1 ZINC001241295012 780765870 /nfs/dbraw/zinc/76/58/70/780765870.db2.gz FDNLWVCPRQFNKY-UHFFFAOYSA-N -1 1 262.215 2.613 20 30 CFEDMM COc1ccc(-c2cc(/C=N/[O-])ccc2F)c(OC)n1 ZINC001241576984 780993454 /nfs/dbraw/zinc/99/34/54/780993454.db2.gz OIRHJBZGIRZYFA-LZYBPNLTSA-N -1 1 276.267 2.713 20 30 CFEDMM Cc1nc2ccc(-c3ccc([O-])c(C#N)c3)nc2n1C ZINC001242562529 781600381 /nfs/dbraw/zinc/60/03/81/781600381.db2.gz CIPRDIWONWLYFS-UHFFFAOYSA-N -1 1 264.288 2.521 20 30 CFEDMM COc1ccc2ncc(-c3ccc([O-])c(C#N)c3)nc2c1 ZINC001242562849 781601043 /nfs/dbraw/zinc/60/10/43/781601043.db2.gz LUVPWNVLLQBAIW-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM N#Cc1cc(-c2cc(-c3ncc[nH]3)ccn2)ccc1[O-] ZINC001242563110 781601545 /nfs/dbraw/zinc/60/15/45/781601545.db2.gz BBTDTIODZMLFDI-UHFFFAOYSA-N -1 1 262.272 2.716 20 30 CFEDMM COc1ccc2nc(-c3ccc([O-])c(C#N)c3)ncc2c1 ZINC001242562961 781601621 /nfs/dbraw/zinc/60/16/21/781601621.db2.gz PJQRCHNEEYBWEO-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM COC(=O)[C@@H](C)c1ccc(-c2ccc([O-])c(C#N)c2)nc1 ZINC001242563727 781602324 /nfs/dbraw/zinc/60/23/24/781602324.db2.gz KIVNHKWDNFHHKC-JTQLQIEISA-N -1 1 282.299 2.602 20 30 CFEDMM N#Cc1cc(-c2cncc(C(F)(F)F)n2)ccc1[O-] ZINC001242563443 781602619 /nfs/dbraw/zinc/60/26/19/781602619.db2.gz FHTLWXZUBJTRDC-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM C[C@@H]1c2ccc(-c3ccc([O-])c(C#N)c3)cc2NC1=O ZINC001242563692 781602656 /nfs/dbraw/zinc/60/26/56/781602656.db2.gz IMBDKJKXESZCSZ-SECBINFHSA-N -1 1 264.284 2.986 20 30 CFEDMM COC(=O)c1c(OC)cccc1-c1ccc([O-])c(C#N)c1 ZINC001242565805 781605335 /nfs/dbraw/zinc/60/53/35/781605335.db2.gz SVKDYEUSELAEJG-UHFFFAOYSA-N -1 1 283.283 2.726 20 30 CFEDMM N#Cc1cc(-c2ccn(CC(F)(F)F)c(=O)c2)ccc1[O-] ZINC001242566469 781606883 /nfs/dbraw/zinc/60/68/83/781606883.db2.gz ATROGPCIJXJUNZ-UHFFFAOYSA-N -1 1 294.232 2.655 20 30 CFEDMM CN1CCc2ccc(-c3ccc([O-])c(C#N)c3)cc2C1=O ZINC001242567301 781607481 /nfs/dbraw/zinc/60/74/81/781607481.db2.gz USFPJSZPYDIJSN-UHFFFAOYSA-N -1 1 278.311 2.559 20 30 CFEDMM C[C@H]1CC(C[N-]S(=O)(=O)c2ccc(C#N)o2)C[C@H](C)C1 ZINC000594819788 349489186 /nfs/dbraw/zinc/48/91/86/349489186.db2.gz XAFFCRFJMXJEDG-GHMZBOCLSA-N -1 1 296.392 2.502 20 30 CFEDMM CC(C)[C@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589170944 348815228 /nfs/dbraw/zinc/81/52/28/348815228.db2.gz UHKCXFJDNAFAJO-CQSZACIVSA-N -1 1 258.321 2.524 20 30 CFEDMM CCc1ccc(CCNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589181863 348817063 /nfs/dbraw/zinc/81/70/63/348817063.db2.gz IHHOOBCFIJPUPD-UHFFFAOYSA-N -1 1 294.354 2.799 20 30 CFEDMM Cc1cc(C)cc(CCNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589185017 348817068 /nfs/dbraw/zinc/81/70/68/348817068.db2.gz LRVDEXIZLGPYRD-UHFFFAOYSA-N -1 1 294.354 2.853 20 30 CFEDMM CC[C@@H](C)C[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589186866 348817339 /nfs/dbraw/zinc/81/73/39/348817339.db2.gz LEABRPIQNSVBIZ-MNOVXSKESA-N -1 1 260.337 2.818 20 30 CFEDMM CC[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589181846 348817385 /nfs/dbraw/zinc/81/73/85/348817385.db2.gz HSYKDUWTNGTOLW-LBPRGKRZSA-N -1 1 272.348 2.916 20 30 CFEDMM C[C@@H]1CC[C@@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589188688 348817972 /nfs/dbraw/zinc/81/79/72/348817972.db2.gz HHHUBRGSSULXMX-GHMZBOCLSA-N -1 1 258.321 2.524 20 30 CFEDMM CC1(C)CN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H]2CCC[C@H]21 ZINC000590525666 348907747 /nfs/dbraw/zinc/90/77/47/348907747.db2.gz BJRWEAPZGLSLDH-HUUCEWRRSA-N -1 1 284.359 2.915 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000590874317 348960609 /nfs/dbraw/zinc/96/06/09/348960609.db2.gz MFCRBEFXVGBQJS-HOTGVXAUSA-N -1 1 282.343 2.524 20 30 CFEDMM N#CCCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000594369653 349411710 /nfs/dbraw/zinc/41/17/10/349411710.db2.gz SKCHGTXHKLKFTG-UHFFFAOYSA-N -1 1 254.236 2.693 20 30 CFEDMM C[C@@]1(C#N)CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000597503567 350105900 /nfs/dbraw/zinc/10/59/00/350105900.db2.gz VIFKGGXZKCGIEN-KRWDZBQOSA-N -1 1 295.342 2.706 20 30 CFEDMM Cc1nc(C(C)C)oc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000597685341 350123611 /nfs/dbraw/zinc/12/36/11/350123611.db2.gz VNCXNAJQCBLEHL-UHFFFAOYSA-N -1 1 299.330 2.614 20 30 CFEDMM CN(CC(C)(C)C#N)C(=O)c1ncc2ccccc2c1[O-] ZINC000597694272 350125154 /nfs/dbraw/zinc/12/51/54/350125154.db2.gz BRYYTSFVLVGGML-UHFFFAOYSA-N -1 1 283.331 2.562 20 30 CFEDMM C=CCCSCCNC(=O)c1ccc([O-])c(F)c1 ZINC000597966989 350163769 /nfs/dbraw/zinc/16/37/69/350163769.db2.gz ITMUOCOLFYAHJU-UHFFFAOYSA-N -1 1 269.341 2.570 20 30 CFEDMM COc1cc(C(=O)N([C@H](C)C#N)C2CC2)cc(Cl)c1[O-] ZINC000598125266 350201890 /nfs/dbraw/zinc/20/18/90/350201890.db2.gz IFIGHEHIFFIDFN-MRVPVSSYSA-N -1 1 294.738 2.571 20 30 CFEDMM C[C@@]1(C#N)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000598417651 350264845 /nfs/dbraw/zinc/26/48/45/350264845.db2.gz KXTXXDYCWXFZLQ-ZDUSSCGKSA-N -1 1 298.264 2.787 20 30 CFEDMM C=CCCC(C)(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000598522981 350279973 /nfs/dbraw/zinc/27/99/73/350279973.db2.gz UNHADBNZBXBMSV-UHFFFAOYSA-N -1 1 258.321 2.738 20 30 CFEDMM CCC(C#N)(CC)C(=O)Nc1cccc(F)c1[O-] ZINC000600446899 350556455 /nfs/dbraw/zinc/55/64/55/350556455.db2.gz WPIJAJSUXVVHLJ-UHFFFAOYSA-N -1 1 250.273 2.800 20 30 CFEDMM C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(C#N)c([O-])c1 ZINC000600761302 350607253 /nfs/dbraw/zinc/60/72/53/350607253.db2.gz OPVKCUQVRQDCLX-BBRMVZONSA-N -1 1 270.332 2.669 20 30 CFEDMM CC(C)C[C@@H](C#N)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601031096 350647783 /nfs/dbraw/zinc/64/77/83/350647783.db2.gz HWXYQELEXSSXEZ-NSHDSACASA-N -1 1 280.755 2.643 20 30 CFEDMM N#CC[C@@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000601611093 350747559 /nfs/dbraw/zinc/74/75/59/350747559.db2.gz YCUKBIJDYDYMOG-JQWIXIFHSA-N -1 1 292.766 2.787 20 30 CFEDMM Cc1[n-]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1C1CC1 ZINC000601948768 350815003 /nfs/dbraw/zinc/81/50/03/350815003.db2.gz LCTKAGGYMCFDRD-CYBMUJFWSA-N -1 1 273.723 2.960 20 30 CFEDMM N#C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000613445183 351960797 /nfs/dbraw/zinc/96/07/97/351960797.db2.gz UJFPIUANBUQPLD-CYBMUJFWSA-N -1 1 288.253 2.665 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCc3occc32)c1 ZINC000614295568 352077111 /nfs/dbraw/zinc/07/71/11/352077111.db2.gz RNZFHEVFWVJRHF-CQSZACIVSA-N -1 1 282.299 2.664 20 30 CFEDMM Cc1cccc2c1N(C(=O)c1cc([O-])cc(C#N)c1)CC2 ZINC000614370963 352086164 /nfs/dbraw/zinc/08/61/64/352086164.db2.gz RGSNJDKRGBLZOT-UHFFFAOYSA-N -1 1 278.311 2.775 20 30 CFEDMM Cc1ccc(CN(C(=O)c2ccc(C#N)c([O-])c2)C2CC2)o1 ZINC000615425387 352192216 /nfs/dbraw/zinc/19/22/16/352192216.db2.gz RWFZTCFIDMWAEU-UHFFFAOYSA-N -1 1 296.326 2.970 20 30 CFEDMM C=CC[C@H]1CCCN(C(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000617781023 352644185 /nfs/dbraw/zinc/64/41/85/352644185.db2.gz CELXMNVGMXBTGW-NSHDSACASA-N -1 1 291.420 2.568 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](CC(F)(F)F)C2)c1 ZINC000618024665 352699584 /nfs/dbraw/zinc/69/95/84/352699584.db2.gz DAIWRQLIXMCWIO-SECBINFHSA-N -1 1 298.264 2.678 20 30 CFEDMM C=CCC1(NC(=O)c2cc(Cl)ccc2[O-])CCOCC1 ZINC000618246449 352737948 /nfs/dbraw/zinc/73/79/48/352737948.db2.gz KNPOXZHFBSNGNL-UHFFFAOYSA-N -1 1 295.766 2.901 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000619145113 352965879 /nfs/dbraw/zinc/96/58/79/352965879.db2.gz XDZQLXJSRAVGGB-JKSUJKDBSA-N -1 1 296.301 2.689 20 30 CFEDMM C=CCOCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023406 355252043 /nfs/dbraw/zinc/25/20/43/355252043.db2.gz PWAQQFIPPFOASP-UHFFFAOYSA-N -1 1 266.366 2.663 20 30 CFEDMM C=CCc1cccc(C(C)C)c1NC(=O)CCc1nn[n-]n1 ZINC000632752192 355737701 /nfs/dbraw/zinc/73/77/01/355737701.db2.gz SLZWOZUULSSPSV-UHFFFAOYSA-N -1 1 299.378 2.623 20 30 CFEDMM C=C(CNC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000673341649 541479644 /nfs/dbraw/zinc/47/96/44/541479644.db2.gz MFYSPDKJEMQZHB-UHFFFAOYSA-N -1 1 271.291 2.975 20 30 CFEDMM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000443326065 241052051 /nfs/dbraw/zinc/05/20/51/241052051.db2.gz ZUOGNFNKORJXNJ-LLVKDONJSA-N -1 1 298.342 2.916 20 30 CFEDMM N#Cc1c[nH]c2nc(-c3ccc(F)c([O-])c3)ccc12 ZINC001243054784 781961230 /nfs/dbraw/zinc/96/12/30/781961230.db2.gz SJOOYHCCGHTASG-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM COc1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000041520146 372846532 /nfs/dbraw/zinc/84/65/32/372846532.db2.gz ILIUNADHAXMONV-GFCCVEGCSA-N -1 1 272.329 2.950 20 30 CFEDMM C[C@@H](C#N)CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000042460110 372926269 /nfs/dbraw/zinc/92/62/69/372926269.db2.gz AUFUGPICRDHWDX-NSHDSACASA-N -1 1 268.316 2.777 20 30 CFEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@H]1c1ccco1 ZINC000049398941 373292444 /nfs/dbraw/zinc/29/24/44/373292444.db2.gz IPKXDDJCIUELRU-WDSKDSINSA-N -1 1 286.213 2.808 20 30 CFEDMM CCc1nnc([N-]C(=O)c2sccc2C#N)s1 ZINC000052028040 373430644 /nfs/dbraw/zinc/43/06/44/373430644.db2.gz CLQDSZURFMHUID-UHFFFAOYSA-N -1 1 264.335 2.670 20 30 CFEDMM N#CCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000054137872 373499568 /nfs/dbraw/zinc/49/95/68/373499568.db2.gz CVWJPCACTCQTSI-UHFFFAOYSA-N -1 1 254.289 2.579 20 30 CFEDMM CCCc1cc(=O)[n-]c(SCCC(C)(C)C#N)n1 ZINC000087596231 374826438 /nfs/dbraw/zinc/82/64/38/374826438.db2.gz YISJMGXXYALRQE-UHFFFAOYSA-N -1 1 265.382 2.754 20 30 CFEDMM C=CC[C@@H](C)NC(=O)c1cc(Br)ccc1[O-] ZINC000116987744 376219609 /nfs/dbraw/zinc/21/96/09/376219609.db2.gz UPOAVQUUVJXSFF-MRVPVSSYSA-N -1 1 284.153 2.849 20 30 CFEDMM Cc1noc(C)c1C[C@@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC000330663556 378594368 /nfs/dbraw/zinc/59/43/68/378594368.db2.gz QGRXAYMBCSZCBL-SECBINFHSA-N -1 1 289.335 2.636 20 30 CFEDMM CC[C@H](C#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000158809047 378672689 /nfs/dbraw/zinc/67/26/89/378672689.db2.gz GDFKHKBQBPMCEU-GFCCVEGCSA-N -1 1 254.289 2.577 20 30 CFEDMM CC(=O)c1cc(Cl)cc(CN2CCC(C#N)CC2)c1[O-] ZINC000177082856 380302882 /nfs/dbraw/zinc/30/28/82/380302882.db2.gz XXXXQTFGFLTNCS-UHFFFAOYSA-N -1 1 292.766 2.984 20 30 CFEDMM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1sccc1Cl ZINC000336273605 380304403 /nfs/dbraw/zinc/30/44/03/380304403.db2.gz PMINVPOWKKZYEH-MRVPVSSYSA-N -1 1 292.813 2.618 20 30 CFEDMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1(C#N)CCC1 ZINC000182021487 380966010 /nfs/dbraw/zinc/96/60/10/380966010.db2.gz RFGOEHSIMUXYTL-UHFFFAOYSA-N -1 1 298.264 2.929 20 30 CFEDMM CC[C@H](CC#N)NC(=O)c1cc(Br)ccc1[O-] ZINC000183874990 381332577 /nfs/dbraw/zinc/33/25/77/381332577.db2.gz BKHAOLVWAMMGFX-SECBINFHSA-N -1 1 297.152 2.577 20 30 CFEDMM Cc1ncoc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000349291401 381877659 /nfs/dbraw/zinc/87/76/59/381877659.db2.gz ZGQQAXGASXOCQQ-SNVBAGLBSA-N -1 1 280.287 2.658 20 30 CFEDMM CC#CCCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000345281295 382294980 /nfs/dbraw/zinc/29/49/80/382294980.db2.gz MZPROJSNNOMLNI-UHFFFAOYSA-N -1 1 283.331 2.914 20 30 CFEDMM CN(CCc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188268982 382381278 /nfs/dbraw/zinc/38/12/78/382381278.db2.gz JMLGFBLSRRTIJR-UHFFFAOYSA-N -1 1 280.327 2.579 20 30 CFEDMM N#Cc1ccc(C(=O)NCCCc2cccc(F)c2)cc1[O-] ZINC000188373182 382400477 /nfs/dbraw/zinc/40/04/77/382400477.db2.gz LUFMDVBRKXMAEO-UHFFFAOYSA-N -1 1 298.317 2.766 20 30 CFEDMM Cc1n[nH]c2cc(NC(=O)c3ccc(C#N)c(O)c3)ccc12 ZINC000188752373 382470498 /nfs/dbraw/zinc/47/04/98/382470498.db2.gz GXIXWOKKOSQHSW-UHFFFAOYSA-N -1 1 292.298 2.701 20 30 CFEDMM COCC1(C#N)CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000353390299 382541533 /nfs/dbraw/zinc/54/15/33/382541533.db2.gz UBNYXNJZSUFZQQ-UHFFFAOYSA-N -1 1 294.782 2.798 20 30 CFEDMM CCN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190026696 382650974 /nfs/dbraw/zinc/65/09/74/382650974.db2.gz XLFKMUXHFWADPC-UHFFFAOYSA-N -1 1 280.327 2.926 20 30 CFEDMM Cn1ncc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1C#N ZINC000337403167 382816063 /nfs/dbraw/zinc/81/60/63/382816063.db2.gz ICGFKVVUYORHPJ-UHFFFAOYSA-N -1 1 298.346 2.547 20 30 CFEDMM Cc1cnc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c([O-])c1 ZINC000566538812 383188356 /nfs/dbraw/zinc/18/83/56/383188356.db2.gz NVTJVCBHJRLQLP-INIZCTEOSA-N -1 1 287.363 2.688 20 30 CFEDMM CCC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCC1 ZINC000458344912 383169283 /nfs/dbraw/zinc/16/92/83/383169283.db2.gz WCSJMDMZWNMZMP-AWEZNQCLSA-N -1 1 272.348 2.962 20 30 CFEDMM C=C[C@@H](CCC(=O)[O-])NCc1c(F)cc(C)cc1F ZINC000424619670 383212155 /nfs/dbraw/zinc/21/21/55/383212155.db2.gz NZDYTZSKINCVMT-JTQLQIEISA-N -1 1 269.291 2.782 20 30 CFEDMM C=CC[N@H+](CCc1ccco1)Cc1ncccc1O ZINC000569769640 383535229 /nfs/dbraw/zinc/53/52/29/383535229.db2.gz ZGKHJMNERYHDJQ-UHFFFAOYSA-N -1 1 258.321 2.611 20 30 CFEDMM N#Cc1ccc(C(=O)NC2(C(F)F)CCCCC2)cc1[O-] ZINC000341099161 383564428 /nfs/dbraw/zinc/56/44/28/383564428.db2.gz JUFVYORQXIFEKU-UHFFFAOYSA-N -1 1 294.301 2.962 20 30 CFEDMM C=C(CNC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000436733434 383885188 /nfs/dbraw/zinc/88/51/88/383885188.db2.gz HTMHPQXOEXVLQD-UHFFFAOYSA-N -1 1 271.291 2.975 20 30 CFEDMM C=CC[C@H]1N(C(=O)c2ncccc2[O-])CCCC1(C)C ZINC000278275894 384515479 /nfs/dbraw/zinc/51/54/79/384515479.db2.gz ZHJXEOXRULSDBE-CYBMUJFWSA-N -1 1 274.364 2.994 20 30 CFEDMM CC(C)[C@H](C#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000271055075 385322385 /nfs/dbraw/zinc/32/23/85/385322385.db2.gz ZAAZMQVBNPWUNO-AWEZNQCLSA-N -1 1 268.316 2.823 20 30 CFEDMM C[C@H](Cc1ccccc1F)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190954814 413057580 /nfs/dbraw/zinc/05/75/80/413057580.db2.gz OCEFSOFQVMDVPZ-LLVKDONJSA-N -1 1 298.317 2.764 20 30 CFEDMM CCCc1cc(=O)[n-]c(SCc2cccc(C#N)c2)n1 ZINC000007654178 393465389 /nfs/dbraw/zinc/46/53/89/393465389.db2.gz SGZNRPQPQHGAJH-UHFFFAOYSA-N -1 1 285.372 2.886 20 30 CFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000334489777 393603213 /nfs/dbraw/zinc/60/32/13/393603213.db2.gz CGEUWPNQNXYMRA-UHFFFAOYSA-N -1 1 272.329 2.553 20 30 CFEDMM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000190987085 393587398 /nfs/dbraw/zinc/58/73/98/393587398.db2.gz OLUUHJZIOBCPKX-NWDGAFQWSA-N -1 1 272.348 2.820 20 30 CFEDMM CCc1onc(C)c1[N-]C(=O)c1sccc1C#N ZINC000089391659 393765373 /nfs/dbraw/zinc/76/53/73/393765373.db2.gz FFHFRBDRADDVCY-UHFFFAOYSA-N -1 1 261.306 2.731 20 30 CFEDMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc(C#N)cs2)o1 ZINC000417567139 393976655 /nfs/dbraw/zinc/97/66/55/393976655.db2.gz JAVGJORVWFGXGX-GFCCVEGCSA-N -1 1 290.344 2.827 20 30 CFEDMM Cc1nc(-c2ccc(NCC(C)(C)C#N)nc2)[n-]c(=O)c1C ZINC000359072406 394122967 /nfs/dbraw/zinc/12/29/67/394122967.db2.gz YJBXNPWKBBONKM-UHFFFAOYSA-N -1 1 297.362 2.823 20 30 CFEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)C1CCCC1 ZINC000344720877 162107111 /nfs/dbraw/zinc/10/71/11/162107111.db2.gz XJIWAPQHQMIADT-UHFFFAOYSA-N -1 1 296.392 2.646 20 30 CFEDMM N#Cc1ccc(C(=O)NCc2cccc3cc[nH]c32)cc1[O-] ZINC000346174646 162340973 /nfs/dbraw/zinc/34/09/73/162340973.db2.gz BVGFUTZOEMQSED-UHFFFAOYSA-N -1 1 291.310 2.675 20 30 CFEDMM CN(CCC#N)C(=O)c1cc2ccccc2cc1[O-] ZINC000035160265 172018868 /nfs/dbraw/zinc/01/88/68/172018868.db2.gz WTQPWDYBNJANEP-UHFFFAOYSA-N -1 1 254.289 2.531 20 30 CFEDMM C=CCCCCCC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000286593951 196651524 /nfs/dbraw/zinc/65/15/24/196651524.db2.gz GNCLHRKGHFHJGK-UHFFFAOYSA-N -1 1 282.365 2.566 20 30 CFEDMM CCn1nccc1/C=C1/CCc2cc([O-])ccc2C1=O ZINC000152647995 261067471 /nfs/dbraw/zinc/06/74/71/261067471.db2.gz JNLSVKRBYDCSQP-XFXZXTDPSA-N -1 1 268.316 2.821 20 30 CFEDMM CC1(C#N)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000280393366 263060978 /nfs/dbraw/zinc/06/09/78/263060978.db2.gz GPQQJNHXUIPIMU-UHFFFAOYSA-N -1 1 266.300 2.531 20 30 CFEDMM C=CCN(CCC#N)Cc1cccc([O-])c1Cl ZINC000293914742 263151996 /nfs/dbraw/zinc/15/19/96/263151996.db2.gz MEFJHOPHRRCKPY-UHFFFAOYSA-N -1 1 250.729 2.947 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000120254386 263285056 /nfs/dbraw/zinc/28/50/56/263285056.db2.gz GVKFDQDIPUSLMZ-UHFFFAOYSA-N -1 1 295.282 2.745 20 30 CFEDMM COc1cc(C(=O)NC[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000330694168 264004490 /nfs/dbraw/zinc/00/44/90/264004490.db2.gz YTZGBBDSUDWMFN-SECBINFHSA-N -1 1 285.727 2.538 20 30 CFEDMM O=C(N[C@@H]1CCC[C@H]1OC(F)F)c1c([O-])cccc1F ZINC000331230684 264152439 /nfs/dbraw/zinc/15/24/39/264152439.db2.gz HKWFXVXZIWYCFN-PSASIEDQSA-N -1 1 289.253 2.996 20 30 CFEDMM COc1cc(C(=O)NC(C)(C)[C@@H](C)O)cc(Cl)c1[O-] ZINC000331271750 264169801 /nfs/dbraw/zinc/16/98/01/264169801.db2.gz LRQJGVVKAKSHNT-SSDOTTSWSA-N -1 1 287.743 2.518 20 30 CFEDMM COc1cc(C(=O)NC[C@@]2(C)CCOC2)cc(Cl)c1[O-] ZINC000331261904 264184610 /nfs/dbraw/zinc/18/46/10/264184610.db2.gz CMJPOZAIMPKZCO-CQSZACIVSA-N -1 1 299.754 2.785 20 30 CFEDMM CC(C)(C)CN(CCC#N)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188559238 264223593 /nfs/dbraw/zinc/22/35/93/264223593.db2.gz LSZFIQVACZECOC-UHFFFAOYSA-N -1 1 285.347 2.666 20 30 CFEDMM N#Cc1ccc(C(=O)NCC23CCC(CC2)C3)cc1[O-] ZINC000526947166 268197648 /nfs/dbraw/zinc/19/76/48/268197648.db2.gz ZKQRJZITWOIVFC-UHFFFAOYSA-N -1 1 270.332 2.574 20 30 CFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1CCCCC1 ZINC000188216106 324011168 /nfs/dbraw/zinc/01/11/68/324011168.db2.gz COKUPJONSCSOGP-UHFFFAOYSA-N -1 1 258.321 2.669 20 30 CFEDMM CN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188222179 324011259 /nfs/dbraw/zinc/01/12/59/324011259.db2.gz KKWDOHHDCGHBMN-UHFFFAOYSA-N -1 1 284.290 2.675 20 30 CFEDMM CN(CC1CCCC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188393360 324014932 /nfs/dbraw/zinc/01/49/32/324014932.db2.gz NQIOYRANXWUKSO-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM N#Cc1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1[O-] ZINC000188621653 324018866 /nfs/dbraw/zinc/01/88/66/324018866.db2.gz GKJXIIGOJSQRPV-ZIAGYGMSSA-N -1 1 270.332 2.526 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000088475840 327164427 /nfs/dbraw/zinc/16/44/27/327164427.db2.gz DFUFGDAEJITPGB-QMMMGPOBSA-N -1 1 276.720 2.523 20 30 CFEDMM CC(C)(CCC#N)CNC(=O)c1c(F)ccc([O-])c1F ZINC000356483275 328862498 /nfs/dbraw/zinc/86/24/98/328862498.db2.gz QITGEKZCZPTLIY-UHFFFAOYSA-N -1 1 282.290 2.730 20 30 CFEDMM COc1cc(C(=O)N(CCC#N)C(C)C)cc(Cl)c1[O-] ZINC000527191693 330232162 /nfs/dbraw/zinc/23/21/62/330232162.db2.gz NWNGHIFDSDOZLY-UHFFFAOYSA-N -1 1 296.754 2.818 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000120238283 330386790 /nfs/dbraw/zinc/38/67/90/330386790.db2.gz PWIDAIUGSDHCCF-UHFFFAOYSA-N -1 1 295.282 2.729 20 30 CFEDMM C=C(CC)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000456824342 331206022 /nfs/dbraw/zinc/20/60/22/331206022.db2.gz DZSWYPDAUPDTLW-UHFFFAOYSA-N -1 1 269.728 2.750 20 30 CFEDMM C#C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000491801970 332356319 /nfs/dbraw/zinc/35/63/19/332356319.db2.gz FKILINSBICZRLJ-HNNXBMFYSA-N -1 1 294.285 2.507 20 30 CFEDMM C=C(Br)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000049297391 518583208 /nfs/dbraw/zinc/58/32/08/518583208.db2.gz HIAORDLJXMEGCI-UHFFFAOYSA-N -1 1 290.544 2.684 20 30 CFEDMM CCN(C(=O)c1ncccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000153649204 520127009 /nfs/dbraw/zinc/12/70/09/520127009.db2.gz NRYBHUDFOHXYHM-LBPRGKRZSA-N -1 1 295.342 2.882 20 30 CFEDMM C=CCOc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354469326 526930372 /nfs/dbraw/zinc/93/03/72/526930372.db2.gz QOAABFTYEGLEIX-ZDUSSCGKSA-N -1 1 279.299 2.531 20 30 CFEDMM COc1ccc(C#N)cc1NC(=O)c1ccccc1[O-] ZINC000436546291 536656149 /nfs/dbraw/zinc/65/61/49/536656149.db2.gz UVHFRIBWQFSHCP-UHFFFAOYSA-N -1 1 268.272 2.525 20 30 CFEDMM Cc1ccc2c(c1)C(=NNc1nc(C)cc(=O)[n-]1)CCC2 ZINC000753922520 574082058 /nfs/dbraw/zinc/08/20/58/574082058.db2.gz SSJKJVYHRYVMFV-UHFFFAOYSA-N -1 1 282.347 2.952 20 30 CFEDMM CC(=NNc1ccc(F)cn1)c1ccc(O)c(F)c1 ZINC000731321645 574116692 /nfs/dbraw/zinc/11/66/92/574116692.db2.gz MZQQSNKIMXSYJE-UHFFFAOYSA-N -1 1 263.247 2.902 20 30 CFEDMM Cc1nc2ccc(C=NNc3nc(C)cc(=O)[n-]3)cc2s1 ZINC000754902197 574127564 /nfs/dbraw/zinc/12/75/64/574127564.db2.gz XDMILTNBZWNTAF-UHFFFAOYSA-N -1 1 299.359 2.855 20 30 CFEDMM CC(=NO[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000755820117 574189584 /nfs/dbraw/zinc/18/95/84/574189584.db2.gz HFIAIILWSUCPEI-ZDUSSCGKSA-N -1 1 253.273 2.799 20 30 CFEDMM CC(N=Nc1ccncc1Cl)c1ccc(C(=O)[O-])cc1 ZINC000756842398 574267208 /nfs/dbraw/zinc/26/72/08/574267208.db2.gz QBRHAJIRTQCRAH-UHFFFAOYSA-N -1 1 289.722 2.691 20 30 CFEDMM Cc1cccc2ncc(/C=C3\Oc4cc([O-])ccc4C3=O)n21 ZINC000748998609 574276030 /nfs/dbraw/zinc/27/60/30/574276030.db2.gz NBHYQNCSZGYJGO-CHHVJCJISA-N -1 1 292.294 2.965 20 30 CFEDMM O=C([O-])c1ccccc1N=NCc1c[nH]c2ncccc12 ZINC000741760231 574301615 /nfs/dbraw/zinc/30/16/15/574301615.db2.gz VQUFZUUJDMHJDX-UHFFFAOYSA-N -1 1 280.287 2.707 20 30 CFEDMM [O-]c1c(Br)cc(O)cc1C=NNC1CCCC1 ZINC000755690135 574319288 /nfs/dbraw/zinc/31/92/88/574319288.db2.gz YLMCLTDYZZORFY-UHFFFAOYSA-N -1 1 299.168 2.726 20 30 CFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2C)o1 ZINC000736259574 574358348 /nfs/dbraw/zinc/35/83/48/574358348.db2.gz FHGBQVVZVQQGBU-MRVPVSSYSA-N -1 1 289.343 2.566 20 30 CFEDMM N#Cc1cc(F)ccc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000071263924 599961900 /nfs/dbraw/zinc/96/19/00/599961900.db2.gz LXOCPMQJTIDIQO-CQSZACIVSA-N -1 1 276.311 2.527 20 30 CFEDMM C=CCN(C/C=C(/C)C(=O)[O-])Cc1cccc(C#N)c1 ZINC000825682212 601159722 /nfs/dbraw/zinc/15/97/22/601159722.db2.gz TZZVIDKQTOKNLK-QPEQYQDCSA-N -1 1 270.332 2.577 20 30 CFEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCCC(=O)[O-] ZINC000821320787 601429270 /nfs/dbraw/zinc/42/92/70/601429270.db2.gz YNUXDPVYVOLMNW-LSDHHAIUSA-N -1 1 272.348 2.623 20 30 CFEDMM COc1ccc(C(=O)/C=C\c2ccoc2C(=O)[O-])c(O)c1 ZINC000832157829 601825667 /nfs/dbraw/zinc/82/56/67/601825667.db2.gz ZOTNJMYQKRRFJV-DJWKRKHSSA-N -1 1 288.255 2.588 20 30 CFEDMM C[C@H](NC(=O)[O-])c1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000825403217 604413685 /nfs/dbraw/zinc/41/36/85/604413685.db2.gz VKYXHUMQULLQMB-NSHDSACASA-N -1 1 299.330 2.770 20 30 CFEDMM C[C@H]1CCCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833615584 604602209 /nfs/dbraw/zinc/60/22/09/604602209.db2.gz OTZSFSXFYJTZTM-NSHDSACASA-N -1 1 258.321 2.631 20 30 CFEDMM CC(=[NH+][N-]c1ccc(C(=O)[O-])cn1)c1ccc(N(C)C)cc1 ZINC000763367878 604667799 /nfs/dbraw/zinc/66/77/99/604667799.db2.gz HDWNCQXMCWUYMP-UHFFFAOYSA-N -1 1 298.346 2.682 20 30 CFEDMM C=C(Br)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000833367600 604954176 /nfs/dbraw/zinc/95/41/76/604954176.db2.gz OXFFILSUVZLROT-PWSUYJOCSA-N -1 1 298.180 2.947 20 30 CFEDMM C=C(Br)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135032042 604951713 /nfs/dbraw/zinc/95/17/13/604951713.db2.gz WPLVHEOVKJVTMB-JTQLQIEISA-N -1 1 290.201 2.718 20 30 CFEDMM CCC[C@H](C#N)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900469247 620679574 /nfs/dbraw/zinc/67/95/74/620679574.db2.gz GGMFGFAGQTZPNL-LLVKDONJSA-N -1 1 284.315 2.673 20 30 CFEDMM C#CC[C@@H](NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000833360783 605134292 /nfs/dbraw/zinc/13/42/92/605134292.db2.gz OHOVMLONOMZAGR-CQSZACIVSA-N -1 1 269.300 2.832 20 30 CFEDMM Cc1ccc(C)c(NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822231894 606369296 /nfs/dbraw/zinc/36/92/96/606369296.db2.gz LKESOAYNBIYSKQ-UHFFFAOYSA-N -1 1 298.375 2.991 20 30 CFEDMM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)o1 ZINC000822224893 606389421 /nfs/dbraw/zinc/38/94/21/606389421.db2.gz DYFWGXJDVUDWDL-HWKANZROSA-N -1 1 286.316 2.726 20 30 CFEDMM N#Cc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000822833315 607129699 /nfs/dbraw/zinc/12/96/99/607129699.db2.gz NZXQLOXMYAYQTQ-UHFFFAOYSA-N -1 1 299.240 2.809 20 30 CFEDMM N#Cc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000822833315 607129701 /nfs/dbraw/zinc/12/97/01/607129701.db2.gz NZXQLOXMYAYQTQ-UHFFFAOYSA-N -1 1 299.240 2.809 20 30 CFEDMM Cc1ccoc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822379949 607252282 /nfs/dbraw/zinc/25/22/82/607252282.db2.gz WSUAQMYTSVFMAQ-RQOWECAXSA-N -1 1 286.316 2.726 20 30 CFEDMM CC(C)(C)[C@H](C#N)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900973303 620735170 /nfs/dbraw/zinc/73/51/70/620735170.db2.gz TWPCYJIEESZBPZ-AWEZNQCLSA-N -1 1 298.342 2.919 20 30 CFEDMM C#C[C@@H](NC(=O)c1cc(Br)ccc1[O-])C(C)C ZINC000304193095 617612152 /nfs/dbraw/zinc/61/21/52/617612152.db2.gz VTPTUQWXTJUPIZ-LLVKDONJSA-N -1 1 296.164 2.542 20 30 CFEDMM C=CC1(CC(=O)N[C@@H](CCC)c2nn[n-]n2)CCCCC1 ZINC000934310501 617995792 /nfs/dbraw/zinc/99/57/92/617995792.db2.gz BEDZOWRHNLNSAZ-LBPRGKRZSA-N -1 1 291.399 2.684 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NNCCC(F)(F)F ZINC000901236972 620769356 /nfs/dbraw/zinc/76/93/56/620769356.db2.gz ZCFLEYNTVXLVHS-UHFFFAOYSA-N -1 1 264.222 2.716 20 30 CFEDMM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1O ZINC000255199379 618092217 /nfs/dbraw/zinc/09/22/17/618092217.db2.gz RCCFEVKSJXABDP-VURMDHGXSA-N -1 1 285.255 2.902 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C)c2C)c(=O)o1 ZINC000255294009 618165736 /nfs/dbraw/zinc/16/57/36/618165736.db2.gz ROXFMSZTEUDTEV-XITLMJRVSA-N -1 1 284.311 2.532 20 30 CFEDMM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c([O-])cccc1F ZINC000901298823 620785848 /nfs/dbraw/zinc/78/58/48/620785848.db2.gz IODOWVFKFHUYAY-PEGIJTEDSA-N -1 1 280.343 2.801 20 30 CFEDMM CC(C)CCO[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374227 620798334 /nfs/dbraw/zinc/79/83/34/620798334.db2.gz HDIBPZDTMIGTTB-LBPRGKRZSA-N -1 1 283.343 2.995 20 30 CFEDMM O=C(COc1ccccc1F)N([O-])Cc1ccc(F)cc1 ZINC000901378530 620799591 /nfs/dbraw/zinc/79/95/91/620799591.db2.gz IMFVJDOYXFQBBT-UHFFFAOYSA-N -1 1 293.269 2.762 20 30 CFEDMM C=C(C)CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895146820 618386424 /nfs/dbraw/zinc/38/64/24/618386424.db2.gz LKRYIJYJJKEPOM-UHFFFAOYSA-N -1 1 268.744 2.811 20 30 CFEDMM N#Cc1cc([N-]c2cc3n(n2)CCCC3)c([N+](=O)[O-])s1 ZINC000893842835 619227748 /nfs/dbraw/zinc/22/77/48/619227748.db2.gz TUSDEOXNAJLABJ-UHFFFAOYSA-N -1 1 289.320 2.804 20 30 CFEDMM C=C1CCC(CNc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000896059917 619663374 /nfs/dbraw/zinc/66/33/74/619663374.db2.gz DWQAOHPNKPTJGM-UHFFFAOYSA-N -1 1 253.733 2.994 20 30 CFEDMM N#CC[C@H](NCc1c([O-])cccc1Cl)C(F)(F)F ZINC000896710029 619795800 /nfs/dbraw/zinc/79/58/00/619795800.db2.gz BUHDVRJAJVMRFL-JTQLQIEISA-N -1 1 278.661 2.980 20 30 CFEDMM CC(C)(C#N)CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897356548 620032241 /nfs/dbraw/zinc/03/22/41/620032241.db2.gz XIWJFWAROBJYGW-UHFFFAOYSA-N -1 1 284.315 2.531 20 30 CFEDMM C#C[C@@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000898435778 620464498 /nfs/dbraw/zinc/46/44/98/620464498.db2.gz GEZYHUMKTQKDGM-GFCCVEGCSA-N -1 1 295.338 2.736 20 30 CFEDMM Cn1cc(/C=C2\Oc3cc([O-])ccc3C2=O)c(C2CC2)n1 ZINC000899345952 620547146 /nfs/dbraw/zinc/54/71/46/620547146.db2.gz YWKYIXIIQLGRON-NSIKDUERSA-N -1 1 282.299 2.619 20 30 CFEDMM CCn1cc(/C=C/C(=O)c2cc(OC)ccc2[O-])c(C)n1 ZINC000899363975 620551074 /nfs/dbraw/zinc/55/10/74/620551074.db2.gz WQZZWLBBIVHNAI-FNORWQNLSA-N -1 1 286.331 2.822 20 30 CFEDMM Cn1cc(/C=C2/Cc3cc([O-])ccc3C2=O)c(C2CC2)n1 ZINC000899369122 620555733 /nfs/dbraw/zinc/55/57/33/620555733.db2.gz RFWTXMCXWSQCQT-GHXNOFRVSA-N -1 1 280.327 2.826 20 30 CFEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1cc2n(n1)CCCC2 ZINC000901563211 620858369 /nfs/dbraw/zinc/85/83/69/620858369.db2.gz MAKSNJVKOARDGT-ALCCZGGFSA-N -1 1 286.306 2.960 20 30 CFEDMM C=C(C)CN(CC)Cc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000902060012 620971545 /nfs/dbraw/zinc/97/15/45/620971545.db2.gz IBAFWAKJODHORZ-UHFFFAOYSA-N -1 1 299.374 2.969 20 30 CFEDMM N#Cc1cc(Cl)cc(CN2CCC(C(=O)[O-])CC2)c1 ZINC000903401529 621368435 /nfs/dbraw/zinc/36/84/35/621368435.db2.gz QVYVXVLZDVZUNW-UHFFFAOYSA-N -1 1 278.739 2.508 20 30 CFEDMM N#Cc1cc(Cl)cc(CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000903401774 621368556 /nfs/dbraw/zinc/36/85/56/621368556.db2.gz AWZPNPIWHJMUKF-GFCCVEGCSA-N -1 1 278.739 2.508 20 30 CFEDMM CCCCCc1nnc([N-]C(=O)c2ccc[n+]([O-])c2)s1 ZINC000026558101 621609826 /nfs/dbraw/zinc/60/98/26/621609826.db2.gz JYULQDSGEDJHDR-UHFFFAOYSA-N -1 1 292.364 2.541 20 30 CFEDMM C=C(Cl)CN[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000905390853 621754228 /nfs/dbraw/zinc/75/42/28/621754228.db2.gz QLOPTWHXHBZSMG-LLVKDONJSA-N -1 1 257.692 2.602 20 30 CFEDMM C=C(Br)CN[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000905392139 621765784 /nfs/dbraw/zinc/76/57/84/621765784.db2.gz RWEFXAHPMDWKEO-LBPRGKRZSA-N -1 1 298.180 2.927 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@]23C[C@@H]2CCCC3)c1 ZINC000927436896 621795816 /nfs/dbraw/zinc/79/58/16/621795816.db2.gz IUWURMSJUPRJMX-XJKSGUPXSA-N -1 1 270.332 2.574 20 30 CFEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000908657089 622255848 /nfs/dbraw/zinc/25/58/48/622255848.db2.gz GRNUOYWZKNUIJQ-ZDUSSCGKSA-N -1 1 291.322 2.671 20 30 CFEDMM O=C(C#CC1CC1)Nc1cccc([O-])c1Br ZINC000908707910 622267020 /nfs/dbraw/zinc/26/70/20/622267020.db2.gz OZQBABBVSGXRHR-UHFFFAOYSA-N -1 1 280.121 2.507 20 30 CFEDMM C=C1CC(C)(C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910994143 622497044 /nfs/dbraw/zinc/49/70/44/622497044.db2.gz RZGNYLQZKUTESO-UHFFFAOYSA-N -1 1 253.248 2.965 20 30 CFEDMM CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@@H](C)C#N ZINC000912687935 622760172 /nfs/dbraw/zinc/76/01/72/622760172.db2.gz WFFRDJAAJYCGAZ-JTQLQIEISA-N -1 1 284.315 2.625 20 30 CFEDMM CCn1nnc(C)c1/C=C/C(=O)c1c(C)cc(C)cc1[O-] ZINC000834441852 625679707 /nfs/dbraw/zinc/67/97/07/625679707.db2.gz XLWJAWGDOVEMCR-VOTSOKGWSA-N -1 1 285.347 2.825 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(C)c1 ZINC000916241623 624230903 /nfs/dbraw/zinc/23/09/03/624230903.db2.gz NBDFAZJIBZJZBC-UHFFFAOYSA-N -1 1 256.309 2.635 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1c(F)cccc1F ZINC000916241787 624231029 /nfs/dbraw/zinc/23/10/29/624231029.db2.gz UTTIPHNTLCYTFM-UHFFFAOYSA-N -1 1 278.262 2.605 20 30 CFEDMM CCCOc1cccc(C=NNc2nc(C)cc(=O)[n-]2)c1 ZINC000917528896 624354992 /nfs/dbraw/zinc/35/49/92/624354992.db2.gz IBKNUUASLQBPKL-UHFFFAOYSA-N -1 1 286.335 2.725 20 30 CFEDMM Cc1cc(CN=Nc2cccc(C(=O)[O-])c2)c(C)[nH]1 ZINC000917565577 624357299 /nfs/dbraw/zinc/35/72/99/624357299.db2.gz OCDIDWRRQUYNAQ-UHFFFAOYSA-N -1 1 257.293 2.776 20 30 CFEDMM C#C[C@@H](CCC)NC(=O)c1ccc(Cl)cc1[O-] ZINC000233295097 624933900 /nfs/dbraw/zinc/93/39/00/624933900.db2.gz FMNUIWUJWKSWPN-JTQLQIEISA-N -1 1 251.713 2.577 20 30 CFEDMM C#C[C@H](CCC)NC(=O)c1cc(Cl)ccc1[O-] ZINC000233357693 624940521 /nfs/dbraw/zinc/94/05/21/624940521.db2.gz NKQIBUIGWABDBY-SNVBAGLBSA-N -1 1 251.713 2.577 20 30 CFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(C)C ZINC000831374070 625003051 /nfs/dbraw/zinc/00/30/51/625003051.db2.gz CNGHFRQHIQYDDE-LBPRGKRZSA-N -1 1 295.335 2.508 20 30 CFEDMM CC(=NN[C@@H]1CCOC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000835017697 625963487 /nfs/dbraw/zinc/96/34/87/625963487.db2.gz RANUPXLGVPJXLG-GFCCVEGCSA-N -1 1 284.306 2.552 20 30 CFEDMM N#C[C@@H](NC(=O)c1c([O-])cccc1Cl)C1CCCC1 ZINC000921544579 625981615 /nfs/dbraw/zinc/98/16/15/625981615.db2.gz AMCPAOYXDKDOHP-LLVKDONJSA-N -1 1 278.739 2.858 20 30 CFEDMM CCc1nn(C)cc1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000187223525 626480819 /nfs/dbraw/zinc/48/08/19/626480819.db2.gz MEYVEAZXLKYBCU-YRNVUSSQSA-N -1 1 268.316 2.511 20 30 CFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cccc(O)c2)c1 ZINC000757472552 626553131 /nfs/dbraw/zinc/55/31/31/626553131.db2.gz KFWLREHDJFTJHC-GQCTYLIASA-N -1 1 284.267 2.692 20 30 CFEDMM CCc1ccc([O-])c(C(=O)Nc2ncc(C#N)s2)c1 ZINC000759633534 626678424 /nfs/dbraw/zinc/67/84/24/626678424.db2.gz PZVQLVVGNFQUBL-UHFFFAOYSA-N -1 1 273.317 2.535 20 30 CFEDMM N#CC(=C([O-])C=Cc1ccc2[nH]ccc2c1)c1ccncn1 ZINC000760358464 626739779 /nfs/dbraw/zinc/73/97/79/626739779.db2.gz PHQQOVDKZNHLGX-CTGSTSKSSA-N -1 1 288.310 2.848 20 30 CFEDMM O=C([O-])c1ccc2c(C=NNc3cccc(F)c3)n[nH]c2c1 ZINC000765572932 627147836 /nfs/dbraw/zinc/14/78/36/627147836.db2.gz VDXSWZJXKXAKOE-UHFFFAOYSA-N -1 1 298.277 2.846 20 30 CFEDMM CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765747991 627156205 /nfs/dbraw/zinc/15/62/05/627156205.db2.gz SUSHHBCBAQOSRX-LBPRGKRZSA-N -1 1 270.254 2.726 20 30 CFEDMM N#CCn1cc([N-]c2nc(-c3ccccc3)ns2)cn1 ZINC000772021352 627664376 /nfs/dbraw/zinc/66/43/76/627664376.db2.gz PSQVSGRWNRICQQ-UHFFFAOYSA-N -1 1 282.332 2.669 20 30 CFEDMM COc1c([O-])c(C=NNCCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000773079639 627779991 /nfs/dbraw/zinc/77/99/91/627779991.db2.gz OERHHPKPSOICNB-UHFFFAOYSA-N -1 1 295.339 2.669 20 30 CFEDMM C=C(Br)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000776864681 628183672 /nfs/dbraw/zinc/18/36/72/628183672.db2.gz POXFGOJVSYCLDH-UHFFFAOYSA-N -1 1 275.171 2.800 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)C(=NOC1CCCCC1)O2 ZINC000777457159 628227777 /nfs/dbraw/zinc/22/77/77/628227777.db2.gz NKFOGOLTNISDTP-UHFFFAOYSA-N -1 1 275.304 2.939 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccc(F)nc1)O2 ZINC000777466234 628228749 /nfs/dbraw/zinc/22/87/49/628228749.db2.gz BHYKWMFBPQWGFD-XGICHPGQSA-N -1 1 271.247 2.851 20 30 CFEDMM COc1c(O)cccc1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000780188301 628438115 /nfs/dbraw/zinc/43/81/15/628438115.db2.gz NFZOCFBJSFHGAP-GHXNOFRVSA-N -1 1 282.295 2.929 20 30 CFEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C3=CCCCC3)nc1-2 ZINC000783100257 628674786 /nfs/dbraw/zinc/67/47/86/628674786.db2.gz WKYGPCUBFDXYEQ-LBPRGKRZSA-N -1 1 280.331 2.943 20 30 CFEDMM CC(C)C#CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678294 635297509 /nfs/dbraw/zinc/29/75/09/635297509.db2.gz MHXTXKLTDKSGMT-UHFFFAOYSA-N -1 1 255.676 2.783 20 30 CFEDMM CC[C@H](C)NN=Cc1cccc(Br)c1[O-] ZINC000790186333 629217473 /nfs/dbraw/zinc/21/74/73/629217473.db2.gz BJMMKNJRUKCEAQ-QMMMGPOBSA-N -1 1 271.158 2.877 20 30 CFEDMM CC[C@H](C)NN=Cc1ccc([O-])c(Br)c1 ZINC000790188032 629217604 /nfs/dbraw/zinc/21/76/04/629217604.db2.gz DBSCLHOCYWYPFE-QMMMGPOBSA-N -1 1 271.158 2.877 20 30 CFEDMM C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000790209331 629220445 /nfs/dbraw/zinc/22/04/45/629220445.db2.gz ODTBWPZFWVPURR-UHFFFAOYSA-N -1 1 284.139 2.510 20 30 CFEDMM N#CC(=C([O-])C=CC1CC1)c1cnc2ccccc2n1 ZINC000792110035 629398003 /nfs/dbraw/zinc/39/80/03/629398003.db2.gz XERAYJLPBHXXSX-KRZKBDHCSA-N -1 1 263.300 2.772 20 30 CFEDMM CC[C@H](C)CON=Cc1cc(C(=O)OC)ccc1[O-] ZINC000793164215 629496057 /nfs/dbraw/zinc/49/60/57/629496057.db2.gz TYUQLAPZASNJKX-JTQLQIEISA-N -1 1 265.309 2.575 20 30 CFEDMM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)c(C)o1 ZINC000796788650 629967480 /nfs/dbraw/zinc/96/74/80/629967480.db2.gz KVBITHQXCJAHMP-GFCCVEGCSA-N -1 1 297.314 2.507 20 30 CFEDMM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)c(C)o1 ZINC000796788651 629967740 /nfs/dbraw/zinc/96/77/40/629967740.db2.gz KVBITHQXCJAHMP-LBPRGKRZSA-N -1 1 297.314 2.507 20 30 CFEDMM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H](C)C#N ZINC000852639343 634796713 /nfs/dbraw/zinc/79/67/13/634796713.db2.gz LUZVSTOIIIPBTD-VIFPVBQESA-N -1 1 280.755 2.982 20 30 CFEDMM CC(C)c1ccc(-n2cc([O-])c(C(=O)O[C@@H](C)C#N)n2)cc1 ZINC000801410824 630446110 /nfs/dbraw/zinc/44/61/10/630446110.db2.gz MEILQKVBLKEGAZ-NSHDSACASA-N -1 1 299.330 2.770 20 30 CFEDMM C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000804455146 630682884 /nfs/dbraw/zinc/68/28/84/630682884.db2.gz DYKRGCUFCHQVII-OAHLLOKOSA-N -1 1 297.329 2.896 20 30 CFEDMM Cc1noc(C)c1/C=C\C(=O)c1ccc(C(=O)[O-])cc1O ZINC000806558690 630810834 /nfs/dbraw/zinc/81/08/34/630810834.db2.gz JEQNJFIKNMIURN-WAYWQWQTSA-N -1 1 287.271 2.591 20 30 CFEDMM C#C[C@H](NC(=O)c1c([O-])cccc1Cl)C(C)(C)C ZINC000807881309 630918246 /nfs/dbraw/zinc/91/82/46/630918246.db2.gz GGMXJZMYUMDUNK-NSHDSACASA-N -1 1 265.740 2.823 20 30 CFEDMM CCOCCON=Cc1cccc([O-])c1Br ZINC000841633937 631437078 /nfs/dbraw/zinc/43/70/78/631437078.db2.gz MXDKTYKROWGGDM-UHFFFAOYSA-N -1 1 288.141 2.542 20 30 CFEDMM [O-]c1cccc(C=NOCC2CC2)c1Br ZINC000841641324 631441685 /nfs/dbraw/zinc/44/16/85/631441685.db2.gz ULNSQSYYGGPWCE-UHFFFAOYSA-N -1 1 270.126 2.915 20 30 CFEDMM N#Cc1csc(/C=C2\CCc3cc([O-])ccc3C2=O)n1 ZINC000811689949 631606365 /nfs/dbraw/zinc/60/63/65/631606365.db2.gz PSABOGPSIFQEKO-UXBLZVDNSA-N -1 1 282.324 2.933 20 30 CFEDMM C#C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC000812751829 631767751 /nfs/dbraw/zinc/76/77/51/631767751.db2.gz LBZVLUGJTCQCDA-ZDUSSCGKSA-N -1 1 287.265 2.775 20 30 CFEDMM C#CCO[N-]C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000812784948 631774877 /nfs/dbraw/zinc/77/48/77/631774877.db2.gz ANHMTOIDOBHUBG-UHFFFAOYSA-N -1 1 287.290 2.699 20 30 CFEDMM C#CCO[N-]C(=O)CC1CCC(C(C)(C)C)CC1 ZINC000812786494 631775655 /nfs/dbraw/zinc/77/56/55/631775655.db2.gz LVNDUNIJLFVUCK-UHFFFAOYSA-N -1 1 251.370 2.910 20 30 CFEDMM CC(C)C1N=NC(=S)N1N=Cc1cccc([O-])c1Cl ZINC000814736466 632116194 /nfs/dbraw/zinc/11/61/94/632116194.db2.gz RCIRRPGMJLUNNF-UHFFFAOYSA-N -1 1 296.783 2.931 20 30 CFEDMM C#CCOCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000814760988 632119048 /nfs/dbraw/zinc/11/90/48/632119048.db2.gz DVGWZMAAZKAFCN-UHFFFAOYSA-N -1 1 286.356 2.857 20 30 CFEDMM O=c1[nH]ncc(NN=Cc2cccc([O-])c2Cl)c1Cl ZINC000814782879 632122686 /nfs/dbraw/zinc/12/26/86/632122686.db2.gz OXFDXIAFPDCVNW-UHFFFAOYSA-N -1 1 299.117 2.641 20 30 CFEDMM [O-]c1cccc(C=NNC(=S)NCC2CCC2)c1Cl ZINC000814833309 632134572 /nfs/dbraw/zinc/13/45/72/632134572.db2.gz FZMVEQVNNYGNKG-UHFFFAOYSA-N -1 1 297.811 2.644 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-][C@H](C#N)c1ccc(F)cc1 ZINC000814874616 632144708 /nfs/dbraw/zinc/14/47/08/632144708.db2.gz XMNCCRUNLXFQSC-LLVKDONJSA-N -1 1 268.238 2.718 20 30 CFEDMM [O-]c1cccc(C=NOCc2cccnc2)c1Cl ZINC000814883789 632148401 /nfs/dbraw/zinc/14/84/01/632148401.db2.gz ANDJZKIGBOAPNW-UHFFFAOYSA-N -1 1 262.696 2.991 20 30 CFEDMM [O-]c1cccc(C=NOC2CCOCC2)c1Cl ZINC000814907446 632159107 /nfs/dbraw/zinc/15/91/07/632159107.db2.gz JXBPMNNTMOBVAP-UHFFFAOYSA-N -1 1 255.701 2.575 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000848244660 633222832 /nfs/dbraw/zinc/22/28/32/633222832.db2.gz BOPWJHHPSLHOBD-TVQRCGJNSA-N -1 1 281.739 2.924 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cc2n(n1)CCCC2 ZINC000848639981 633306454 /nfs/dbraw/zinc/30/64/54/633306454.db2.gz ZXTZAXAQSYUWIV-OVCLIPMQSA-N -1 1 282.299 2.541 20 30 CFEDMM N#Cc1ccc(C(=O)NCC[C@H]2CC2(Cl)Cl)cc1[O-] ZINC000857379553 635971543 /nfs/dbraw/zinc/97/15/43/635971543.db2.gz AGPNGKANTSLFTI-JTQLQIEISA-N -1 1 299.157 2.578 20 30 CFEDMM Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccc([O-])cc1 ZINC000849240138 633587847 /nfs/dbraw/zinc/58/78/47/633587847.db2.gz GPYHBOBRKRMSTG-CMDGGOBGSA-N -1 1 268.316 2.899 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cn(C3CCC3)nn1)O2 ZINC000849242739 633588507 /nfs/dbraw/zinc/58/85/07/633588507.db2.gz APMYVVKUEFUKIR-MKMNVTDBSA-N -1 1 297.314 2.633 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccnn1CC1CC1 ZINC000849244345 633589447 /nfs/dbraw/zinc/58/94/47/633589447.db2.gz ZAMJOTQOIFZVLO-VIZOYTHASA-N -1 1 282.299 2.615 20 30 CFEDMM CC(C)ON=Cc1ccc(Br)cc1[O-] ZINC000853353599 634981227 /nfs/dbraw/zinc/98/12/27/634981227.db2.gz GTOCJJOXTWXIBR-UHFFFAOYSA-N -1 1 258.115 2.914 20 30 CFEDMM N#CC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCC1 ZINC000885677094 635286421 /nfs/dbraw/zinc/28/64/21/635286421.db2.gz ZVFBOTHZDZXYQI-UHFFFAOYSA-N -1 1 268.675 2.817 20 30 CFEDMM CCc1nocc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000860467501 636892216 /nfs/dbraw/zinc/89/22/16/636892216.db2.gz CGJSAZRAJJXMNN-LBPRGKRZSA-N -1 1 297.314 2.507 20 30 CFEDMM CCCCCCCNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000862357588 637331559 /nfs/dbraw/zinc/33/15/59/637331559.db2.gz ZMNCXQCFGYOJOC-UHFFFAOYSA-N -1 1 292.408 2.718 20 30 CFEDMM C#CCCCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476428 637671277 /nfs/dbraw/zinc/67/12/77/637671277.db2.gz DPLWRFOYQOMIEI-UHFFFAOYSA-N -1 1 283.331 2.710 20 30 CFEDMM O=C([O-])c1cc(N=NC2CN3CCC2CC3)ccc1Cl ZINC000864358168 637951822 /nfs/dbraw/zinc/95/18/22/637951822.db2.gz MRRGTDYCHSQCRG-UHFFFAOYSA-N -1 1 293.754 2.532 20 30 CFEDMM CC(C)(C)c1nsc([N-]C(=O)c2coc(C#N)c2)n1 ZINC000865143911 638203946 /nfs/dbraw/zinc/20/39/46/638203946.db2.gz OQNLUDMAYQLERU-UHFFFAOYSA-N -1 1 276.321 2.553 20 30 CFEDMM C#CCN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000866510776 638833224 /nfs/dbraw/zinc/83/32/24/638833224.db2.gz JQKYAHUKIUTBNA-UHFFFAOYSA-N -1 1 291.778 2.993 20 30 CFEDMM N#CC(=C([O-])c1c(Cl)n[nH]c1C1CC1)c1ccccn1 ZINC000870137055 639528070 /nfs/dbraw/zinc/52/80/70/639528070.db2.gz VHEGQLICKDJXBH-SECBINFHSA-N -1 1 286.722 2.826 20 30 CFEDMM C[C@H]1CC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)CC1 ZINC000870690801 639773816 /nfs/dbraw/zinc/77/38/16/639773816.db2.gz UQILWFQZVVVKPZ-AULYBMBSSA-N -1 1 258.321 2.795 20 30 CFEDMM C[C@@H](CC(=O)[N-]Oc1cccc(C#N)c1)C(F)(F)F ZINC000870692078 639774882 /nfs/dbraw/zinc/77/48/82/639774882.db2.gz XUMVHOHEGFSRJS-QMMMGPOBSA-N -1 1 272.226 2.557 20 30 CFEDMM C[C@H]1CCC[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870693029 639775907 /nfs/dbraw/zinc/77/59/07/639775907.db2.gz VULOPHSYUHEAJX-WCQYABFASA-N -1 1 258.321 2.795 20 30 CFEDMM C=CC(C)(C)CCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000871744519 641434547 /nfs/dbraw/zinc/43/45/47/641434547.db2.gz VTTIBXNIRLEVSL-UHFFFAOYSA-N -1 1 299.374 2.645 20 30 CFEDMM C=C(CC)CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000873037516 641992178 /nfs/dbraw/zinc/99/21/78/641992178.db2.gz WTILAZQBFOOBAR-UHFFFAOYSA-N -1 1 268.744 2.811 20 30 CFEDMM N#CCCCOc1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000874928642 642553837 /nfs/dbraw/zinc/55/38/37/642553837.db2.gz SPCSGFDYMPOOHM-XFXZXTDPSA-N -1 1 288.328 2.693 20 30 CFEDMM CN(CC(C)(C)C#N)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876396937 642851967 /nfs/dbraw/zinc/85/19/67/642851967.db2.gz SNOBPSHZSRRCSG-UHFFFAOYSA-N -1 1 295.770 2.737 20 30 CFEDMM C[C@@H](C#N)C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000876792676 643010299 /nfs/dbraw/zinc/01/02/99/643010299.db2.gz YGOSEAOCQLMJQN-VIFPVBQESA-N -1 1 266.291 2.794 20 30 CFEDMM C[C@@H](C#N)CN(Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000876792676 643010309 /nfs/dbraw/zinc/01/03/09/643010309.db2.gz YGOSEAOCQLMJQN-VIFPVBQESA-N -1 1 266.291 2.794 20 30 CFEDMM C=CCCC[C@H](NCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000880389913 644685895 /nfs/dbraw/zinc/68/58/95/644685895.db2.gz KWPBYRSYSCYGFG-ZDUSSCGKSA-N -1 1 272.352 2.698 20 30 CFEDMM C#CCCCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000133053089 646018905 /nfs/dbraw/zinc/01/89/05/646018905.db2.gz RJDSJOMHYBKEOU-UHFFFAOYSA-N -1 1 289.759 2.561 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cnc2ccccn12 ZINC000133178102 646049108 /nfs/dbraw/zinc/04/91/08/646049108.db2.gz AOINLIYBJPSFMS-AUWJEWJLSA-N -1 1 278.267 2.656 20 30 CFEDMM C=CC[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000884478394 646387435 /nfs/dbraw/zinc/38/74/35/646387435.db2.gz ZSNWAAVHCRNNGH-NSHDSACASA-N -1 1 297.376 2.570 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000885222404 646640562 /nfs/dbraw/zinc/64/05/62/646640562.db2.gz ALERRJITJTXNSK-NVXWUHKLSA-N -1 1 296.370 2.915 20 30 CFEDMM C#CCC1(NC(=O)c2cc([O-])cc(C#N)c2)CCCCC1 ZINC000886655940 647092119 /nfs/dbraw/zinc/09/21/19/647092119.db2.gz LTVNGXAAZZWKJG-UHFFFAOYSA-N -1 1 282.343 2.720 20 30 CFEDMM N#C[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000928211421 648873371 /nfs/dbraw/zinc/87/33/71/648873371.db2.gz HIYCPQUYEOPRHK-LLVKDONJSA-N -1 1 296.326 2.627 20 30 CFEDMM CCN(C[C@@H](C)C#N)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000929429587 649048591 /nfs/dbraw/zinc/04/85/91/649048591.db2.gz NZASKSHWGSXINL-STQMWFEESA-N -1 1 274.364 2.693 20 30 CFEDMM COc1nc(-c2cccc([O-])c2F)c(F)cc1C#N ZINC001243543883 782265904 /nfs/dbraw/zinc/26/59/04/782265904.db2.gz JSDVQMNROFSICZ-UHFFFAOYSA-N -1 1 262.215 2.613 20 30 CFEDMM C#CCCCNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001140053639 770104768 /nfs/dbraw/zinc/10/47/68/770104768.db2.gz JIWBYPAYPUMJIC-UHFFFAOYSA-N -1 1 297.310 2.608 20 30 CFEDMM CSc1nc(Nc2ccc(F)cc2C#N)cc(=O)[n-]1 ZINC001210551287 770312408 /nfs/dbraw/zinc/31/24/08/770312408.db2.gz NRMMFCGXCMPLMZ-UHFFFAOYSA-N -1 1 276.296 2.658 20 30 CFEDMM Cc1ncccc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000255151152 770324887 /nfs/dbraw/zinc/32/48/87/770324887.db2.gz NKXWFNGMMQASBJ-XQRVVYSFSA-N -1 1 255.273 2.697 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cccc2c1OCCO2 ZINC000588534960 770949297 /nfs/dbraw/zinc/94/92/97/770949297.db2.gz CWUBQASFPDSFNV-MDWZMJQESA-N -1 1 294.306 2.986 20 30 CFEDMM COC(=O)c1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)o1 ZINC000588535007 770950928 /nfs/dbraw/zinc/95/09/28/770950928.db2.gz BQUFWDZATZLJGS-NTMALXAHSA-N -1 1 284.267 2.594 20 30 CFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001167598651 770965091 /nfs/dbraw/zinc/96/50/91/770965091.db2.gz USXMGWGDDFHRHQ-OKILXGFUSA-N -1 1 285.343 2.836 20 30 CFEDMM N#Cc1cccc(N)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213386615 775116000 /nfs/dbraw/zinc/11/60/00/775116000.db2.gz LWCCOXIEPMWYFN-UHFFFAOYSA-N -1 1 261.231 2.868 20 30 CFEDMM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC[P@](=O)([O-])O ZINC001224603124 775224979 /nfs/dbraw/zinc/22/49/79/775224979.db2.gz VLWXHXYWUOORMC-GRYCIOLGSA-N -1 1 262.286 2.562 20 30 CFEDMM C#C[C@H](CC)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226181979 775727612 /nfs/dbraw/zinc/72/76/12/775727612.db2.gz IMAWYXAQXWUTAA-GFCCVEGCSA-N -1 1 254.289 2.640 20 30 CFEDMM C=CCC(CC=C)Oc1[n-]c(=S)ncc1OC ZINC001226242971 775751412 /nfs/dbraw/zinc/75/14/12/775751412.db2.gz WWKYVLCXHHTBOS-UHFFFAOYSA-N -1 1 252.339 2.674 20 30 CFEDMM CCCCC(=O)[C@@H](CCCC)Oc1nccc(/C=N/[O-])n1 ZINC001226256275 775757022 /nfs/dbraw/zinc/75/70/22/775757022.db2.gz PLVYNFLGPHYAME-SWEABUAFSA-N -1 1 293.367 2.982 20 30 CFEDMM [O-]/N=C/c1ccnc(O[C@H]2CCc3c2cc(F)cc3F)n1 ZINC001226256550 775758124 /nfs/dbraw/zinc/75/81/24/775758124.db2.gz SUPKREBYWYTGNA-VXSOZLBZSA-N -1 1 291.257 2.629 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC[C@@H](C)OC ZINC001227120118 776106845 /nfs/dbraw/zinc/10/68/45/776106845.db2.gz FAIKJJKZQBWVHM-SNVBAGLBSA-N -1 1 264.321 2.737 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCCOC1 ZINC001227119903 776106856 /nfs/dbraw/zinc/10/68/56/776106856.db2.gz APYRHIZZTVMSDF-GFCCVEGCSA-N -1 1 276.332 2.881 20 30 CFEDMM C=CC[C@@H](CC)NC(=O)NCCc1c(F)cc([O-])cc1F ZINC001227347310 776181454 /nfs/dbraw/zinc/18/14/54/776181454.db2.gz JFPJLTLENCGNQM-SNVBAGLBSA-N -1 1 298.333 2.867 20 30 CFEDMM C=C[C@@H](Oc1cc(Cl)c([O-])cc1Cl)C(=O)OC ZINC001227644886 776249464 /nfs/dbraw/zinc/24/94/64/776249464.db2.gz DDEUVHPJSCKCPA-SECBINFHSA-N -1 1 277.103 2.805 20 30 CFEDMM C#C[C@H](Oc1[n-]c(=S)nc2cnccc21)c1ccncc1 ZINC001227886697 776318160 /nfs/dbraw/zinc/31/81/60/776318160.db2.gz XDKYFZFAGDDWKV-ZDUSSCGKSA-N -1 1 294.339 2.836 20 30 CFEDMM C[C@H](Oc1cc([O-])ccc1C#N)C(=O)OCc1ccccc1 ZINC001228006975 776358897 /nfs/dbraw/zinc/35/88/97/776358897.db2.gz MRJIPEPYBHAGEH-LBPRGKRZSA-N -1 1 297.310 2.775 20 30 CFEDMM Cc1cn2c(n1)[C@@H](Oc1cc([O-])ccc1C#N)CCC2 ZINC001228007630 776359640 /nfs/dbraw/zinc/35/96/40/776359640.db2.gz SUMBPOINKFGHLI-ZDUSSCGKSA-N -1 1 269.304 2.683 20 30 CFEDMM CSc1nc(O[C@@H](CC#N)c2ccccc2)cc(=O)[n-]1 ZINC001228093878 776393967 /nfs/dbraw/zinc/39/39/67/776393967.db2.gz FAVZVZNQVXYIQC-NSHDSACASA-N -1 1 287.344 2.938 20 30 CFEDMM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228143052 776408359 /nfs/dbraw/zinc/40/83/59/776408359.db2.gz JBGMGLCFBPBCRD-QWRGUYRKSA-N -1 1 291.307 2.770 20 30 CFEDMM C#C[C@H](CCC)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228554489 776520382 /nfs/dbraw/zinc/52/03/82/776520382.db2.gz JUTZASXORRZBPM-LLVKDONJSA-N -1 1 262.305 2.871 20 30 CFEDMM C#C[C@H](CC)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228859644 776636558 /nfs/dbraw/zinc/63/65/58/776636558.db2.gz MKBRTKRZPCMLLR-ZCFIWIBFSA-N -1 1 290.197 2.505 20 30 CFEDMM C#C[C@@H]1CCC[C@@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135851 776728718 /nfs/dbraw/zinc/72/87/18/776728718.db2.gz RGBDPIRIBQZVKB-MFKMUULPSA-N -1 1 270.284 2.679 20 30 CFEDMM CCOC(=O)[C@H]1CC[C@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229736402 776882682 /nfs/dbraw/zinc/88/26/82/776882682.db2.gz BGVBEFPUOWMAKV-VYBPFTPOSA-N -1 1 291.347 2.995 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@H]1CCCC2(C1)OCCO2 ZINC001229739230 776883901 /nfs/dbraw/zinc/88/39/01/776883901.db2.gz WROGJIQIUUCBML-VLURKWGBSA-N -1 1 291.347 2.949 20 30 CFEDMM CCOC(=O)[C@@H]1CCC[C@H]1Oc1ccccc1/C(C)=N/[O-] ZINC001229736725 776883909 /nfs/dbraw/zinc/88/39/09/776883909.db2.gz IOWJTWMUWMSZKH-DRMGDSRLSA-N -1 1 291.347 2.995 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@H]1COc2cnccc21 ZINC001229738945 776884037 /nfs/dbraw/zinc/88/40/37/776884037.db2.gz QGWDDGOLEQIGMO-ADFUCPMPSA-N -1 1 270.288 2.792 20 30 CFEDMM CC[C@@H](CC(=O)OC)Oc1ccccc1/C(C)=N/[O-] ZINC001229737096 776884055 /nfs/dbraw/zinc/88/40/55/776884055.db2.gz PQBVYTWYSLYIHF-KBVGCWLLSA-N -1 1 265.309 2.605 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@@H]1CCCC2(C1)OCCO2 ZINC001229739229 776884185 /nfs/dbraw/zinc/88/41/85/776884185.db2.gz WROGJIQIUUCBML-LVLBFHFTSA-N -1 1 291.347 2.949 20 30 CFEDMM C#C[C@H](Oc1nc(C(=O)OC)c[n-]1)[C@H](CC)CCCC ZINC001230280719 776971157 /nfs/dbraw/zinc/97/11/57/776971157.db2.gz ZPVXBEWVCLKAKF-YPMHNXCESA-N -1 1 278.352 2.793 20 30 CFEDMM C[C@]1(C#N)CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231735671 777318262 /nfs/dbraw/zinc/31/82/62/777318262.db2.gz SUXIWVJQQJUNHE-CYBMUJFWSA-N -1 1 250.729 2.781 20 30 CFEDMM COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1C(=O)[O-] ZINC001231752241 777324502 /nfs/dbraw/zinc/32/45/02/777324502.db2.gz OSJXKGPWCVPTNR-LBPRGKRZSA-N -1 1 288.347 2.519 20 30 CFEDMM C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(=S)ncc1OC ZINC001226246383 777488509 /nfs/dbraw/zinc/48/85/09/777488509.db2.gz PUVVJQNKKBDQNN-SNVBAGLBSA-N -1 1 278.377 2.757 20 30 CFEDMM N#C[C@H]1CCCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232935684 777725276 /nfs/dbraw/zinc/72/52/76/777725276.db2.gz VMKRIKWUWRDDKB-JTQLQIEISA-N -1 1 266.291 2.796 20 30 CFEDMM N#C[C@H]1CCCCN1Cc1ccc(F)c([O-])c1F ZINC001232935573 777726016 /nfs/dbraw/zinc/72/60/16/777726016.db2.gz UEFHYLPPEIFLMQ-SNVBAGLBSA-N -1 1 252.264 2.548 20 30 CFEDMM CCCN(CCC#N)Cc1ccc(F)c(F)c1[O-] ZINC001233077424 777789972 /nfs/dbraw/zinc/78/99/72/777789972.db2.gz NEOVZJQEBSWLCK-UHFFFAOYSA-N -1 1 254.280 2.796 20 30 CFEDMM C#C[C@H](CCC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234042709 778151061 /nfs/dbraw/zinc/15/10/61/778151061.db2.gz ATULMOGYIBUSGE-SNVBAGLBSA-N -1 1 272.304 2.530 20 30 CFEDMM C#C[C@H](CCC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234042709 778151068 /nfs/dbraw/zinc/15/10/68/778151068.db2.gz ATULMOGYIBUSGE-SNVBAGLBSA-N -1 1 272.304 2.530 20 30 CFEDMM CC#C[C@H](CC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234046200 778152074 /nfs/dbraw/zinc/15/20/74/778152074.db2.gz ZMMVNFCTHWCUCA-JTQLQIEISA-N -1 1 272.304 2.530 20 30 CFEDMM CCOC(=O)[C@H]1CCC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234818735 778301970 /nfs/dbraw/zinc/30/19/70/778301970.db2.gz DDDBARPQANTLNA-GXTWGEPZSA-N -1 1 291.347 2.995 20 30 CFEDMM CCC[C@H](CC(=O)OCC)Oc1ccccc1C=N[O-] ZINC001234819412 778302136 /nfs/dbraw/zinc/30/21/36/778302136.db2.gz LIFZNZOLZAPXDU-CYBMUJFWSA-N -1 1 279.336 2.995 20 30 CFEDMM CCOC(=O)[C@H]1CCC[C@@H]1Oc1ccccc1C=N[O-] ZINC001234822112 778302817 /nfs/dbraw/zinc/30/28/17/778302817.db2.gz KRCDYULKHGSFSR-JSGCOSHPSA-N -1 1 277.320 2.605 20 30 CFEDMM Cc1nn(C)cc1[C@@H](C)Oc1ccccc1C=N[O-] ZINC001234822177 778303259 /nfs/dbraw/zinc/30/32/59/778303259.db2.gz LGUDJBQRMFDXPO-LLVKDONJSA-N -1 1 259.309 2.677 20 30 CFEDMM N#Cc1cc(-c2cncc([O-])c2)ncc1C(F)(F)F ZINC001236574655 778879941 /nfs/dbraw/zinc/87/99/41/778879941.db2.gz URXODZVBGLIRHP-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1occc1C ZINC000129941249 778905267 /nfs/dbraw/zinc/90/52/67/778905267.db2.gz CJIUPUURPWWPTI-LLVKDONJSA-N -1 1 298.298 2.558 20 30 CFEDMM COc1cc([O-])c(CN(CCC#N)CCC#N)c(Cl)c1 ZINC001236801454 778944436 /nfs/dbraw/zinc/94/44/36/778944436.db2.gz AVZDYGBQFQGUCL-UHFFFAOYSA-N -1 1 293.754 2.684 20 30 CFEDMM CCN(CCC#N)Cc1c([O-])ccc(F)c1Cl ZINC001237124857 779018708 /nfs/dbraw/zinc/01/87/08/779018708.db2.gz OOAYGRBAMIRFEW-UHFFFAOYSA-N -1 1 256.708 2.920 20 30 CFEDMM N#C[C@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125800 779018832 /nfs/dbraw/zinc/01/88/32/779018832.db2.gz FJCCDDDWGRFMSF-SECBINFHSA-N -1 1 268.719 2.920 20 30 CFEDMM CCS(=O)(=O)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001240509010 780213291 /nfs/dbraw/zinc/21/32/91/780213291.db2.gz AGNAIJRSGUHYHD-UHFFFAOYSA-N -1 1 289.356 2.955 20 30 CFEDMM N#Cc1cc(Nc2cc(F)c([O-])c(Cl)c2)ccn1 ZINC001214479857 780315220 /nfs/dbraw/zinc/31/52/20/780315220.db2.gz GZTPQFYAACJNMB-UHFFFAOYSA-N -1 1 263.659 2.617 20 30 CFEDMM Cc1nc(C#N)c(Nc2cc(F)cc(F)c2[O-])o1 ZINC001212481674 780398799 /nfs/dbraw/zinc/39/87/99/780398799.db2.gz CUVTVNMICQSJML-UHFFFAOYSA-N -1 1 251.192 2.582 20 30 CFEDMM Cc1ncc(C#N)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212481814 780399000 /nfs/dbraw/zinc/39/90/00/780399000.db2.gz KJJRVVAYRGVTTF-UHFFFAOYSA-N -1 1 261.231 2.989 20 30 CFEDMM COC(=O)c1cc(C#N)cc(-c2c(F)cc([O-])cc2F)c1 ZINC001241123253 780652413 /nfs/dbraw/zinc/65/24/13/780652413.db2.gz XRFUQJFCCVVQFN-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM N#Cc1cc2c(nc1-c1cc([O-])cc(F)c1)CCOC2 ZINC001241260922 780741443 /nfs/dbraw/zinc/74/14/43/780741443.db2.gz CEMROCSABQLZJJ-UHFFFAOYSA-N -1 1 270.263 2.538 20 30 CFEDMM COC(=O)c1ccc(-c2c(F)ccc([O-])c2F)c(C#N)c1 ZINC001241291451 780761827 /nfs/dbraw/zinc/76/18/27/780761827.db2.gz PGPPNNQPOBWHJR-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM COC(=O)c1cc(-c2c(F)ccc([O-])c2F)ccc1C#N ZINC001241294209 780764796 /nfs/dbraw/zinc/76/47/96/780764796.db2.gz NLFYMYZFNWGXFG-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM CC1(C)OC(=O)c2c1ccnc2-c1ccc([O-])c(C#N)c1 ZINC001242562471 781600312 /nfs/dbraw/zinc/60/03/12/781600312.db2.gz AQAYCBLOMXHZME-UHFFFAOYSA-N -1 1 280.283 2.731 20 30 CFEDMM CCOC(=O)c1ccnc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242561795 781600624 /nfs/dbraw/zinc/60/06/24/781600624.db2.gz CNBHSEMGTJKYGV-UHFFFAOYSA-N -1 1 268.272 2.503 20 30 CFEDMM CCOC(=O)c1cccc(-c2ccc([O-])c(C#N)c2)n1 ZINC001242562836 781601083 /nfs/dbraw/zinc/60/10/83/781601083.db2.gz LHWZZFPBATZJPS-UHFFFAOYSA-N -1 1 268.272 2.503 20 30 CFEDMM Cc1cc2ncnc(-c3ccc([O-])c(C#N)c3)c2[nH]1 ZINC001242562847 781601108 /nfs/dbraw/zinc/60/11/08/781601108.db2.gz LOUQJBDEUBEFNE-UHFFFAOYSA-N -1 1 250.261 2.511 20 30 CFEDMM C[C@H]1c2ccc(-c3ccc([O-])c(C#N)c3)cc2NC1=O ZINC001242563693 781602537 /nfs/dbraw/zinc/60/25/37/781602537.db2.gz IMBDKJKXESZCSZ-VIFPVBQESA-N -1 1 264.284 2.986 20 30 CFEDMM COC(=O)[C@H](C)c1ccc(-c2ccc([O-])c(C#N)c2)nc1 ZINC001242563728 781602635 /nfs/dbraw/zinc/60/26/35/781602635.db2.gz KIVNHKWDNFHHKC-SNVBAGLBSA-N -1 1 282.299 2.602 20 30 CFEDMM COC(=O)c1nc2ccc(-c3ccc([O-])c(C#N)c3)cc2o1 ZINC001242565180 781603831 /nfs/dbraw/zinc/60/38/31/781603831.db2.gz PHFQRRGUGWBUKX-UHFFFAOYSA-N -1 1 294.266 2.859 20 30 CFEDMM CN1Cc2ccc(-c3ccc([O-])c(C#N)c3)cc2NC1=O ZINC001242566609 781607061 /nfs/dbraw/zinc/60/70/61/781607061.db2.gz HVLDCCFULPNZGK-UHFFFAOYSA-N -1 1 279.299 2.908 20 30 CFEDMM CN1c2cccc(-c3ccc([O-])c(C#N)c3)c2CNC1=O ZINC001242567294 781607495 /nfs/dbraw/zinc/60/74/95/781607495.db2.gz UKYAQNVYFIIPJK-UHFFFAOYSA-N -1 1 279.299 2.590 20 30 CFEDMM C[C@H](CCO)Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001165937406 781755572 /nfs/dbraw/zinc/75/55/72/781755572.db2.gz HXZRSSXWZUMIPW-XUNMKLQISA-N -1 1 276.258 2.696 20 30 CFEDMM C[C@@H](CCO)Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001165937403 781755758 /nfs/dbraw/zinc/75/57/58/781755758.db2.gz HXZRSSXWZUMIPW-LBBJYAOWSA-N -1 1 276.258 2.696 20 30 CFEDMM CCc1nc(S[C@H]2CC[C@@H](C#N)C2)[n-]c(=O)c1C ZINC000594903370 349499706 /nfs/dbraw/zinc/49/97/06/349499706.db2.gz ANRDOHQBEMJYAR-ZJUUUORDSA-N -1 1 263.366 2.837 20 30 CFEDMM CCc1nc(S[C@H]2CC[C@H](C#N)C2)[n-]c(=O)c1C ZINC000594903368 349499771 /nfs/dbraw/zinc/49/97/71/349499771.db2.gz ANRDOHQBEMJYAR-UWVGGRQHSA-N -1 1 263.366 2.837 20 30 CFEDMM CCc1nc(S[C@@H]2CC[C@H](C#N)C2)[n-]c(=O)c1C ZINC000594903369 349499803 /nfs/dbraw/zinc/49/98/03/349499803.db2.gz ANRDOHQBEMJYAR-VHSXEESVSA-N -1 1 263.366 2.837 20 30 CFEDMM CCc1nc(SCc2ccnc(C#N)c2)[n-]c(=O)c1C ZINC000594905010 349500657 /nfs/dbraw/zinc/50/06/57/349500657.db2.gz MMAAYVTXDFFNPW-UHFFFAOYSA-N -1 1 286.360 2.612 20 30 CFEDMM Cc1nc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1C#N ZINC000179192914 232396411 /nfs/dbraw/zinc/39/64/11/232396411.db2.gz UNHFYUVCROJNRU-UHFFFAOYSA-N -1 1 287.706 2.873 20 30 CFEDMM CCc1nnsc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000026601816 346266220 /nfs/dbraw/zinc/26/62/20/346266220.db2.gz JGTDAEMGTYGWBK-UHFFFAOYSA-N -1 1 283.382 2.712 20 30 CFEDMM N#CC1(CNCc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC000596655997 349970442 /nfs/dbraw/zinc/97/04/42/349970442.db2.gz DGQTZOKWVHFIRK-UHFFFAOYSA-N -1 1 272.348 2.948 20 30 CFEDMM Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)c([O-])c1 ZINC000059095652 346655330 /nfs/dbraw/zinc/65/53/30/346655330.db2.gz FOXVHKQFKOFMEU-UHFFFAOYSA-N -1 1 266.300 2.849 20 30 CFEDMM CCc1nc(SCC2(C#N)CCC2)[n-]c(=O)c1C ZINC000568272169 348664529 /nfs/dbraw/zinc/66/45/29/348664529.db2.gz QIXNPSALLDDTMX-UHFFFAOYSA-N -1 1 263.366 2.839 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC(C2CCC2)C2CCC2)c1 ZINC000588056093 348769365 /nfs/dbraw/zinc/76/93/65/348769365.db2.gz VSOKASODOIQGOX-UHFFFAOYSA-N -1 1 284.359 2.962 20 30 CFEDMM C[C@H](Cc1ccsc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589169803 348814974 /nfs/dbraw/zinc/81/49/74/348814974.db2.gz HSMOMHLLCCEPSR-SNVBAGLBSA-N -1 1 286.356 2.686 20 30 CFEDMM CCC1(C)CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589175769 348816131 /nfs/dbraw/zinc/81/61/31/348816131.db2.gz UXNBCPLLBMJYIO-UHFFFAOYSA-N -1 1 272.348 2.916 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000589184171 348816883 /nfs/dbraw/zinc/81/68/83/348816883.db2.gz COJFTIYGZQEKQR-UMVBOHGHSA-N -1 1 284.359 2.962 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H]2c2cccc(F)c2)c1 ZINC000589187735 348818130 /nfs/dbraw/zinc/81/81/30/348818130.db2.gz OOTYEUHCWCVARM-MRXNPFEDSA-N -1 1 296.301 2.990 20 30 CFEDMM C[C@H]1CC[C@@]2(CCN(C(=O)c3cc([O-])cc(C#N)c3)C2)C1 ZINC000589199840 348818872 /nfs/dbraw/zinc/81/88/72/348818872.db2.gz OYWBDAHFSKSJCJ-YVEFUNNKSA-N -1 1 284.359 2.916 20 30 CFEDMM C[C@@H]1C[C@H](C)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589195995 348818917 /nfs/dbraw/zinc/81/89/17/348818917.db2.gz WAUHWUASMGSMGZ-VXGBXAGGSA-N -1 1 272.348 2.772 20 30 CFEDMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589527584 348838100 /nfs/dbraw/zinc/83/81/00/348838100.db2.gz RANZMJMBYPYWSG-QLJPJBMISA-N -1 1 294.310 2.516 20 30 CFEDMM CC1(C)CN(C(=O)c2cc([O-])cc(C#N)c2)[C@H]1C1CC1 ZINC000589651776 348848740 /nfs/dbraw/zinc/84/87/40/348848740.db2.gz ZHWOUNPEQSKUTG-AWEZNQCLSA-N -1 1 270.332 2.524 20 30 CFEDMM CCC(CC)N(CC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589943909 348864713 /nfs/dbraw/zinc/86/47/13/348864713.db2.gz OVVRNFMMIOCTSE-UHFFFAOYSA-N -1 1 260.337 2.915 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(C3CC3)n2)c1 ZINC000590495466 348906549 /nfs/dbraw/zinc/90/65/49/348906549.db2.gz JWNZOWZETWYTIG-UHFFFAOYSA-N -1 1 279.299 2.789 20 30 CFEDMM C[C@@]12CN(C(=O)c3cc([O-])cc(C#N)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000590772801 348947004 /nfs/dbraw/zinc/94/70/04/348947004.db2.gz OPDLAMDREHLBAH-YUFPNPJJSA-N -1 1 294.354 2.548 20 30 CFEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCCC1 ZINC000590883451 348961724 /nfs/dbraw/zinc/96/17/24/348961724.db2.gz KUHMRSFJDMORRD-HNNXBMFYSA-N -1 1 272.348 2.962 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](C2CC2)C2CCC2)c1 ZINC000590892959 348963379 /nfs/dbraw/zinc/96/33/79/348963379.db2.gz YGTYKIOUBDGBRB-HNNXBMFYSA-N -1 1 270.332 2.572 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(C)c1 ZINC000594462556 349426839 /nfs/dbraw/zinc/42/68/39/349426839.db2.gz QZGFOVLXPMSMTN-SNVBAGLBSA-N -1 1 272.757 2.692 20 30 CFEDMM CC(C)N(CCC#N)C(=O)c1ncc2ccccc2c1[O-] ZINC000597041768 350020028 /nfs/dbraw/zinc/02/00/28/350020028.db2.gz LMNCFOQATOPVFM-UHFFFAOYSA-N -1 1 283.331 2.705 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC(c3ccco3)CC2)cc1[O-] ZINC000597925181 350158893 /nfs/dbraw/zinc/15/88/93/350158893.db2.gz KYELRLDXZGSEDK-UHFFFAOYSA-N -1 1 296.326 2.877 20 30 CFEDMM CCC(C)(C)[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000597956229 350163185 /nfs/dbraw/zinc/16/31/85/350163185.db2.gz UFLIUJMCZOVXQU-SNVBAGLBSA-N -1 1 260.337 2.818 20 30 CFEDMM C[C@@]1(C#N)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000598411197 350261430 /nfs/dbraw/zinc/26/14/30/350261430.db2.gz NZTKNECPVWJNOC-KRWDZBQOSA-N -1 1 280.327 2.921 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCCC(F)(F)CC2)cc1[O-] ZINC000600255444 350545764 /nfs/dbraw/zinc/54/57/64/350545764.db2.gz XWBXHWGURYBGML-UHFFFAOYSA-N -1 1 280.274 2.525 20 30 CFEDMM Cc1nc(S[C@@H](C#N)C2CC2)[n-]c(=O)c1C1CC1 ZINC000601088599 350665235 /nfs/dbraw/zinc/66/52/35/350665235.db2.gz VOCQTEBBFVYJJI-JTQLQIEISA-N -1 1 261.350 2.762 20 30 CFEDMM CN(CC(C)(C)C#N)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601601451 350745421 /nfs/dbraw/zinc/74/54/21/350745421.db2.gz KOKVXAVZPXFRJR-UHFFFAOYSA-N -1 1 280.755 2.596 20 30 CFEDMM CC(C)(C)[C@@H](C#N)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601284498 350717125 /nfs/dbraw/zinc/71/71/25/350717125.db2.gz IJPRUEZADWLRAZ-GFCCVEGCSA-N -1 1 280.755 2.643 20 30 CFEDMM CN(C(=O)c1ncc2ccccc2c1[O-])[C@H]1CCC[C@H]1C#N ZINC000601802465 350778458 /nfs/dbraw/zinc/77/84/58/350778458.db2.gz TYLWYRSEZFEUQY-FZMZJTMJSA-N -1 1 295.342 2.705 20 30 CFEDMM C[C@@H](CC1CCC1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000601871379 350795312 /nfs/dbraw/zinc/79/53/12/350795312.db2.gz SRJGFZGAVJXGKC-JTQLQIEISA-N -1 1 258.321 2.572 20 30 CFEDMM Cc1ccc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614293002 352076386 /nfs/dbraw/zinc/07/63/86/352076386.db2.gz MNSQNSBVTMVPOS-UHFFFAOYSA-N -1 1 280.327 2.845 20 30 CFEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1F ZINC000614293151 352076393 /nfs/dbraw/zinc/07/63/93/352076393.db2.gz ZLCZDZYORLBGSG-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000614294044 352076441 /nfs/dbraw/zinc/07/64/41/352076441.db2.gz NCZMDWFIZLQDAZ-MRXNPFEDSA-N -1 1 293.326 2.636 20 30 CFEDMM COc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(OC)c1 ZINC000614293415 352076513 /nfs/dbraw/zinc/07/65/13/352076513.db2.gz OWXZBEGVFNLGGS-UHFFFAOYSA-N -1 1 298.298 2.533 20 30 CFEDMM C[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293039 352076626 /nfs/dbraw/zinc/07/66/26/352076626.db2.gz PXRNFUKYMTZPBA-HZMBPMFUSA-N -1 1 258.321 2.572 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000614298589 352077218 /nfs/dbraw/zinc/07/72/18/352077218.db2.gz VBQBOZALSOTVBA-HOTGVXAUSA-N -1 1 278.311 2.550 20 30 CFEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccncc1 ZINC000614299162 352077283 /nfs/dbraw/zinc/07/72/83/352077283.db2.gz YPLRYGDFKGTCDX-HNNXBMFYSA-N -1 1 281.315 2.540 20 30 CFEDMM CCC(CC)N(CCOC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614364031 352085578 /nfs/dbraw/zinc/08/55/78/352085578.db2.gz GJALPCWCHILUFW-UHFFFAOYSA-N -1 1 290.363 2.541 20 30 CFEDMM CC1CCC(C)(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614366218 352085731 /nfs/dbraw/zinc/08/57/31/352085731.db2.gz QOGYKJVGUWGKPV-UHFFFAOYSA-N -1 1 272.348 2.962 20 30 CFEDMM CCSCC[C@@H](C)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614370563 352086334 /nfs/dbraw/zinc/08/63/34/352086334.db2.gz HYMSIEUBMZQHGT-LLVKDONJSA-N -1 1 292.404 2.868 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000614370159 352086363 /nfs/dbraw/zinc/08/63/63/352086363.db2.gz VCLZUSQXRKQKTQ-HOTGVXAUSA-N -1 1 284.359 2.962 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000614370158 352086381 /nfs/dbraw/zinc/08/63/81/352086381.db2.gz VCLZUSQXRKQKTQ-CVEARBPZSA-N -1 1 284.359 2.962 20 30 CFEDMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000615477851 352198096 /nfs/dbraw/zinc/19/80/96/352198096.db2.gz LCYXJUUNINPFBO-INIZCTEOSA-N -1 1 292.338 2.990 20 30 CFEDMM N#C[C@]1(F)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000615664707 352226470 /nfs/dbraw/zinc/22/64/70/352226470.db2.gz PMNRQKFAKRYQFN-MRXNPFEDSA-N -1 1 284.290 2.623 20 30 CFEDMM C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000617043000 352477748 /nfs/dbraw/zinc/47/77/48/352477748.db2.gz XYLWCLQTSLITCC-WFASDCNBSA-N -1 1 287.359 2.826 20 30 CFEDMM C=CC[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000617781567 352644875 /nfs/dbraw/zinc/64/48/75/352644875.db2.gz PMSAJRQCRIUCPJ-LLVKDONJSA-N -1 1 263.312 2.960 20 30 CFEDMM C=CC(C)(C)CCNC(=O)c1ccc([O-])c(F)c1 ZINC000628313982 354540191 /nfs/dbraw/zinc/54/01/91/354540191.db2.gz JIQBOWWORDZSRB-UHFFFAOYSA-N -1 1 251.301 2.863 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2CC3CCC2CC3)cc1[O-] ZINC000351683679 283130933 /nfs/dbraw/zinc/13/09/33/283130933.db2.gz OUOLKJHSWKOESU-MGULZYLOSA-N -1 1 270.332 2.572 20 30 CFEDMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443274633 241050444 /nfs/dbraw/zinc/05/04/44/241050444.db2.gz OBYXBTZVGWOXSZ-WDEREUQCSA-N -1 1 260.337 2.818 20 30 CFEDMM CCN(CC#N)C(=O)c1ccc2ccccc2c1[O-] ZINC000045049449 373014634 /nfs/dbraw/zinc/01/46/34/373014634.db2.gz ZPUZCGVISGNZCL-UHFFFAOYSA-N -1 1 254.289 2.531 20 30 CFEDMM COC(=O)c1cc(-c2ccc(F)c([O-])c2)ccc1C#N ZINC001243062928 781964623 /nfs/dbraw/zinc/96/46/23/781964623.db2.gz PJRXNCRYBWADBY-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM C=C(C)COCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000126084252 377212606 /nfs/dbraw/zinc/21/26/06/377212606.db2.gz DQIILSOQDGIVMX-UHFFFAOYSA-N -1 1 285.343 2.868 20 30 CFEDMM O=C(N[C@H](CO)CC1CCCC1)c1c([O-])cccc1F ZINC000331238956 378655204 /nfs/dbraw/zinc/65/52/04/378655204.db2.gz NYAGSLKPNOBGKA-NSHDSACASA-N -1 1 281.327 2.777 20 30 CFEDMM C=CCC1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCCC1 ZINC000451963385 383743647 /nfs/dbraw/zinc/74/36/47/383743647.db2.gz ZBWFNMGQMWVLET-UHFFFAOYSA-N -1 1 294.376 2.566 20 30 CFEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc([O-])cc2F)C1 ZINC000181982084 380957261 /nfs/dbraw/zinc/95/72/61/380957261.db2.gz UARDIFAYYPWUMX-MEBBXXQBSA-N -1 1 276.311 2.734 20 30 CFEDMM CC(C)Oc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354457232 381282822 /nfs/dbraw/zinc/28/28/22/381282822.db2.gz ADUHVINTAIYNOS-ZDUSSCGKSA-N -1 1 281.315 2.754 20 30 CFEDMM C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)CC(F)(F)F ZINC000412650708 381384124 /nfs/dbraw/zinc/38/41/24/381384124.db2.gz DFYVHGPXXGVZPI-QMMMGPOBSA-N -1 1 286.253 2.582 20 30 CFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCCC1 ZINC000188497949 382424256 /nfs/dbraw/zinc/42/42/56/382424256.db2.gz NJUALNINUSOZAI-SNVBAGLBSA-N -1 1 258.321 2.572 20 30 CFEDMM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188533002 382430317 /nfs/dbraw/zinc/43/03/17/382430317.db2.gz GLZZMOZYSQCDRR-OAHLLOKOSA-N -1 1 295.342 2.882 20 30 CFEDMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188612529 382442344 /nfs/dbraw/zinc/44/23/44/382442344.db2.gz NXDRVRKYLMUUJL-GXTWGEPZSA-N -1 1 290.388 2.668 20 30 CFEDMM C[C@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000189460493 382612414 /nfs/dbraw/zinc/61/24/14/382612414.db2.gz MRRPBIBEQOSGAF-SMDDNHRTSA-N -1 1 272.348 2.962 20 30 CFEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000193354853 382719137 /nfs/dbraw/zinc/71/91/37/382719137.db2.gz KEGNYBQNGXBHLN-UHFFFAOYSA-N -1 1 290.319 2.693 20 30 CFEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000538284615 382959275 /nfs/dbraw/zinc/95/92/75/382959275.db2.gz ZHJHMQZQLLHMMS-SNVBAGLBSA-N -1 1 289.347 2.988 20 30 CFEDMM C[C@H]1CCCC[C@]1(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000457309803 383019163 /nfs/dbraw/zinc/01/91/63/383019163.db2.gz XVCDFOBACGSQRQ-ZBEGNZNMSA-N -1 1 272.348 2.962 20 30 CFEDMM C=C[C@H](CCC(=O)[O-])NCc1c(F)cc(C)cc1F ZINC000424619671 383212328 /nfs/dbraw/zinc/21/23/28/383212328.db2.gz NZDYTZSKINCVMT-SNVBAGLBSA-N -1 1 269.291 2.782 20 30 CFEDMM C=CCCCCCN=c1nc([C@@H](C)OC)[n-]s1 ZINC000566482713 383188227 /nfs/dbraw/zinc/18/82/27/383188227.db2.gz INLCADBWGPNCFY-SNVBAGLBSA-N -1 1 255.387 2.826 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000427791843 383416943 /nfs/dbraw/zinc/41/69/43/383416943.db2.gz YJYPAMWCKHZKQE-UHFFFAOYSA-N -1 1 283.397 2.775 20 30 CFEDMM CNc1ccc(C#N)cc1NC(=O)c1ccccc1[O-] ZINC000436653935 383866299 /nfs/dbraw/zinc/86/62/99/383866299.db2.gz GYKNKIDFUOHIDK-UHFFFAOYSA-N -1 1 267.288 2.558 20 30 CFEDMM COc1ccc(C(=O)Nc2cc(C#N)ccc2OC)c([O-])c1 ZINC000436547323 383834370 /nfs/dbraw/zinc/83/43/70/383834370.db2.gz WVLMBYSAWCJRDF-UHFFFAOYSA-N -1 1 298.298 2.533 20 30 CFEDMM C#CCCCCNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000186862948 260015129 /nfs/dbraw/zinc/01/51/29/260015129.db2.gz INZHCNGYEWBYST-UHFFFAOYSA-N -1 1 295.766 2.978 20 30 CFEDMM C=CC[C@H](CC)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000281630083 195315596 /nfs/dbraw/zinc/31/55/96/195315596.db2.gz GMMZFAHZILRIMH-NSHDSACASA-N -1 1 291.395 2.873 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2CCc3cc(F)ccc32)cc1[O-] ZINC000190990767 393586744 /nfs/dbraw/zinc/58/67/44/393586744.db2.gz VCQLMIPUQRIKDB-HNNXBMFYSA-N -1 1 296.301 2.820 20 30 CFEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1sccc1Cl ZINC000416529639 393925740 /nfs/dbraw/zinc/92/57/40/393925740.db2.gz KDVOWKVPMJPGOO-UHFFFAOYSA-N -1 1 292.813 2.620 20 30 CFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1 ZINC000416946830 393947149 /nfs/dbraw/zinc/94/71/49/393947149.db2.gz XSEVKMZJAVIGBV-AWEZNQCLSA-N -1 1 294.376 2.685 20 30 CFEDMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000356679659 155331788 /nfs/dbraw/zinc/33/17/88/155331788.db2.gz BBWDLVJWAIWAJC-WOPDTQHZSA-N -1 1 272.348 2.770 20 30 CFEDMM CC1(C)CCC(C[N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000408115486 157380320 /nfs/dbraw/zinc/38/03/20/157380320.db2.gz NUVAXEJOZVZFBQ-UHFFFAOYSA-N -1 1 296.392 2.646 20 30 CFEDMM C[C@@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344551006 162064577 /nfs/dbraw/zinc/06/45/77/162064577.db2.gz CWAIBHDXLJUBBO-VXGBXAGGSA-N -1 1 296.392 2.646 20 30 CFEDMM C=C(C)CCc1noc(-c2cc(NC(C)=O)ccc2[O-])n1 ZINC000285135958 196204314 /nfs/dbraw/zinc/20/43/14/196204314.db2.gz NTHMLJVYBQULCD-UHFFFAOYSA-N -1 1 287.319 2.909 20 30 CFEDMM CC(C)[C@H](C#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271908087 263000109 /nfs/dbraw/zinc/00/01/09/263000109.db2.gz CRQAHWKSKPPAAV-JTQLQIEISA-N -1 1 286.253 2.689 20 30 CFEDMM N#C[C@H]1CC[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000295478432 263178165 /nfs/dbraw/zinc/17/81/65/263178165.db2.gz YMOGZAVXCXDVLU-NKWVEPMBSA-N -1 1 271.292 2.904 20 30 CFEDMM C#CCCCCC(=O)Nc1nc(Br)ccc1[O-] ZINC000121511231 263294543 /nfs/dbraw/zinc/29/45/43/263294543.db2.gz KMDMYHUPRMHXNZ-UHFFFAOYSA-N -1 1 297.152 2.682 20 30 CFEDMM CC#CCN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000341032929 263318098 /nfs/dbraw/zinc/31/80/98/263318098.db2.gz XJISMKIVGWYYRG-UHFFFAOYSA-N -1 1 288.734 2.689 20 30 CFEDMM COc1cc(C(=O)NC[C@H]2CCCOC2)cc(Cl)c1[O-] ZINC000331203273 264160734 /nfs/dbraw/zinc/16/07/34/264160734.db2.gz BUKFAMKPKHKHPD-SECBINFHSA-N -1 1 299.754 2.785 20 30 CFEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCOCC1 ZINC000331278073 264171049 /nfs/dbraw/zinc/17/10/49/264171049.db2.gz SGCURMOHCHCLHY-CQSZACIVSA-N -1 1 288.347 2.774 20 30 CFEDMM CC1(C)CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000335677328 281086667 /nfs/dbraw/zinc/08/66/67/281086667.db2.gz IHZZJDOUQLZQRW-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553483760 281877711 /nfs/dbraw/zinc/87/77/11/281877711.db2.gz YMDDAVRSXWIMBI-YPMHNXCESA-N -1 1 296.392 2.788 20 30 CFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccccc1 ZINC000179027152 323731394 /nfs/dbraw/zinc/73/13/94/323731394.db2.gz CUJPIOFXMCOXKZ-UHFFFAOYSA-N -1 1 272.329 2.668 20 30 CFEDMM CC(C)[C@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188669831 324019604 /nfs/dbraw/zinc/01/96/04/324019604.db2.gz FKDZZJJODZHGGX-CQSZACIVSA-N -1 1 272.348 2.915 20 30 CFEDMM COc1cc(C(=O)NC[C@H]2CCCC2=O)cc(Cl)c1[O-] ZINC000331037203 328474779 /nfs/dbraw/zinc/47/47/79/328474779.db2.gz BRZDKXDNCCRTHE-MRVPVSSYSA-N -1 1 297.738 2.728 20 30 CFEDMM COCCC1(CNC(=O)c2ncc(C)cc2[O-])CCCC1 ZINC000331207142 328478245 /nfs/dbraw/zinc/47/82/45/328478245.db2.gz PHEFGNTWGCOLJZ-UHFFFAOYSA-N -1 1 292.379 2.997 20 30 CFEDMM CCOc1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000559247683 327150152 /nfs/dbraw/zinc/15/01/52/327150152.db2.gz SNCFHCOTDRVYLZ-UHFFFAOYSA-N -1 1 296.392 2.767 20 30 CFEDMM N#CCC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000336144242 327538463 /nfs/dbraw/zinc/53/84/63/327538463.db2.gz XBLZTVZYQFQXDA-UHFFFAOYSA-N -1 1 278.739 2.811 20 30 CFEDMM C=C(C)CN(C)C(=O)c1cc(Br)ccc1[O-] ZINC000226515136 329260438 /nfs/dbraw/zinc/26/04/38/329260438.db2.gz YHLDXYKIQNNISI-UHFFFAOYSA-N -1 1 284.153 2.803 20 30 CFEDMM C[C@H](C#N)CN(C)c1ccc(=N[C@@H](C)c2ccccc2)[n-]n1 ZINC000425205272 329639800 /nfs/dbraw/zinc/63/98/00/329639800.db2.gz IPXJPDZBVIMPRD-KGLIPLIRSA-N -1 1 295.390 2.667 20 30 CFEDMM N#C[C@@H]1CC[C@@H](Sc2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000450834523 331001800 /nfs/dbraw/zinc/00/18/00/331001800.db2.gz DFGHUEDPUVPHFE-RNFRBKRXSA-N -1 1 289.282 2.985 20 30 CFEDMM C=C(C)CC[N-]S(=O)(=O)c1sccc1Cl ZINC000451802165 331042687 /nfs/dbraw/zinc/04/26/87/331042687.db2.gz KYCPYQZAHKLVJV-UHFFFAOYSA-N -1 1 265.787 2.646 20 30 CFEDMM C=C(C)COCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000126081286 333590480 /nfs/dbraw/zinc/59/04/80/333590480.db2.gz OFZYKKCHCZLQOX-UHFFFAOYSA-N -1 1 285.343 2.868 20 30 CFEDMM C=CC[C@@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000135120676 334116580 /nfs/dbraw/zinc/11/65/80/334116580.db2.gz FYDHUAQFAMPYRJ-MRVPVSSYSA-N -1 1 269.728 2.749 20 30 CFEDMM C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)C1 ZINC000336405481 524717895 /nfs/dbraw/zinc/71/78/95/524717895.db2.gz CZWVSTOTIGRZAN-PXAZEXFGSA-N -1 1 284.359 2.916 20 30 CFEDMM C=C1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000336170215 526898162 /nfs/dbraw/zinc/89/81/62/526898162.db2.gz ZTFBZLGWGZQLIZ-UHFFFAOYSA-N -1 1 281.739 2.846 20 30 CFEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000353128255 527052663 /nfs/dbraw/zinc/05/26/63/527052663.db2.gz KKXCIJWZICTZPF-MRVPVSSYSA-N -1 1 293.310 2.737 20 30 CFEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000353128256 527163614 /nfs/dbraw/zinc/16/36/14/527163614.db2.gz KKXCIJWZICTZPF-QMMMGPOBSA-N -1 1 293.310 2.737 20 30 CFEDMM CNC(=S)[N-]c1ccccc1SC[C@H](C)C#N ZINC000730954562 574104833 /nfs/dbraw/zinc/10/48/33/574104833.db2.gz CTCFDLTYHHJQNB-SECBINFHSA-N -1 1 265.407 2.855 20 30 CFEDMM CC(=NN=Cc1ccc([O-])c(Cl)c1)c1cnccn1 ZINC000745206837 574106582 /nfs/dbraw/zinc/10/65/82/574106582.db2.gz RJWIIHFDDNMZNN-UHFFFAOYSA-N -1 1 274.711 2.679 20 30 CFEDMM N#Cc1ccccc1COC(=O)c1c([O-])cc(F)cc1F ZINC000745515340 574114612 /nfs/dbraw/zinc/11/46/12/574114612.db2.gz OXFIEBMVRFQPMA-UHFFFAOYSA-N -1 1 289.237 2.899 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000732763533 574170483 /nfs/dbraw/zinc/17/04/83/574170483.db2.gz ZRKMIFNVTCMMJI-LDYMZIIASA-N -1 1 272.308 2.653 20 30 CFEDMM COc1cccc(NN=Cc2cccc(F)c2[O-])c1 ZINC000755607978 574171540 /nfs/dbraw/zinc/17/15/40/574171540.db2.gz FTKJSLDEXHAWHR-UHFFFAOYSA-N -1 1 260.268 2.986 20 30 CFEDMM CC(C)C[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756717252 574258867 /nfs/dbraw/zinc/25/88/67/574258867.db2.gz INVZSIDWMIKQNB-NSHDSACASA-N -1 1 287.335 2.679 20 30 CFEDMM C#CCCOc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000736076154 574349967 /nfs/dbraw/zinc/34/99/67/574349967.db2.gz AFWAAWFLDQSSPG-UHFFFAOYSA-N -1 1 299.326 2.670 20 30 CFEDMM Cn1c(Cl)cnc1/C=C1/CCc2cc([O-])ccc2C1=O ZINC000752889184 574396282 /nfs/dbraw/zinc/39/62/82/574396282.db2.gz TVWKMDMXBZSKLB-YFHOEESVSA-N -1 1 288.734 2.992 20 30 CFEDMM N#Cc1cc(F)ccc1CN(CC(=O)[O-])Cc1ccccc1 ZINC000692497119 599961983 /nfs/dbraw/zinc/96/19/83/599961983.db2.gz VTUMPMHYGXLAPL-UHFFFAOYSA-N -1 1 298.317 2.784 20 30 CFEDMM CC(C)(C#N)CCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000824059273 607864234 /nfs/dbraw/zinc/86/42/34/607864234.db2.gz RLIQZCHUEYMAHK-UHFFFAOYSA-N -1 1 289.314 2.715 20 30 CFEDMM O=C([O-])c1ccc(C=NNc2cccc(C(F)(F)F)n2)[nH]1 ZINC000749814721 601336872 /nfs/dbraw/zinc/33/68/72/601336872.db2.gz QXZLBBXVYUYXSO-UHFFFAOYSA-N -1 1 298.224 2.573 20 30 CFEDMM CC(=NNc1nc(=O)cc(C)[nH]1)[C@H](C)CCCCC(=O)[O-] ZINC000814681313 604631365 /nfs/dbraw/zinc/63/13/65/604631365.db2.gz GHNPVBDULDAFOR-SECBINFHSA-N -1 1 294.355 2.560 20 30 CFEDMM C=CCN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1 ZINC000833376459 605103188 /nfs/dbraw/zinc/10/31/88/605103188.db2.gz VLIQCTPNWZPHJJ-UHFFFAOYSA-N -1 1 270.332 2.901 20 30 CFEDMM CC(=NNc1ccc(C(=O)[O-])cn1)c1cccc(F)c1F ZINC000776259428 605122055 /nfs/dbraw/zinc/12/20/55/605122055.db2.gz JIVPEFVLEFEKSB-UHFFFAOYSA-N -1 1 291.257 2.894 20 30 CFEDMM C#CCCCCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833361605 605625613 /nfs/dbraw/zinc/62/56/13/605625613.db2.gz CXBFAUBLRONZGF-UHFFFAOYSA-N -1 1 299.330 2.783 20 30 CFEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)Cc2ccccc21 ZINC000823503731 606388186 /nfs/dbraw/zinc/38/81/86/606388186.db2.gz HXWQGJFAZPLCAK-CSKARUKUSA-N -1 1 294.339 2.751 20 30 CFEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)Oc2ccccc21 ZINC000823503034 606392914 /nfs/dbraw/zinc/39/29/14/606392914.db2.gz AILQMTXZFFJXRB-YRNVUSSQSA-N -1 1 296.311 2.544 20 30 CFEDMM C=CCNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000819750456 606764188 /nfs/dbraw/zinc/76/41/88/606764188.db2.gz FEUPCIRWDAHDIG-UHFFFAOYSA-N -1 1 294.318 2.652 20 30 CFEDMM CC(C)(C#N)CCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000824059273 607864233 /nfs/dbraw/zinc/86/42/33/607864233.db2.gz RLIQZCHUEYMAHK-UHFFFAOYSA-N -1 1 289.314 2.715 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NNC[C@H]1CCSC1 ZINC000901244779 620770837 /nfs/dbraw/zinc/77/08/37/620770837.db2.gz XCMJYOZNFXSKIT-SNVBAGLBSA-N -1 1 268.357 2.516 20 30 CFEDMM C=CCN(C(=O)c1c([O-])cnc2c(F)cccc21)C1CC1 ZINC000901313086 620789724 /nfs/dbraw/zinc/78/97/24/620789724.db2.gz AYDVZWGNTBFGOH-UHFFFAOYSA-N -1 1 286.306 2.870 20 30 CFEDMM C=CCCO[N-]C(=O)C1(CC(=O)OC(C)(C)C)CCC1 ZINC000856027493 618421730 /nfs/dbraw/zinc/42/17/30/618421730.db2.gz OLLJVFZTOZXNCI-UHFFFAOYSA-N -1 1 283.368 2.512 20 30 CFEDMM C#CCCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000893632300 619123187 /nfs/dbraw/zinc/12/31/87/619123187.db2.gz GFKCARFPPGLUAQ-UHFFFAOYSA-N -1 1 280.755 2.648 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NN[C@@H](C)c2ccccc2)c1 ZINC000726737370 619259316 /nfs/dbraw/zinc/25/93/16/619259316.db2.gz PRURTOOYBFQYSX-LBPRGKRZSA-N -1 1 298.342 2.864 20 30 CFEDMM C#C[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000896315018 619716407 /nfs/dbraw/zinc/71/64/07/619716407.db2.gz NYDIAWMQYXZMFI-LBPRGKRZSA-N -1 1 292.766 2.743 20 30 CFEDMM C#CC1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000898088215 620335160 /nfs/dbraw/zinc/33/51/60/620335160.db2.gz LIJXAQIQSGTODA-UHFFFAOYSA-N -1 1 295.338 2.736 20 30 CFEDMM C#CCc1c(C)[n-]n([C@@H]2CCc3c2cccc3F)c1=O ZINC000899356691 620549744 /nfs/dbraw/zinc/54/97/44/620549744.db2.gz QGYZOBJUPKKSGA-XHDPSFHLSA-N -1 1 270.307 2.671 20 30 CFEDMM Cn1cc(/C=C2\Cc3cc([O-])ccc3C2=O)c(C2CC2)n1 ZINC000899369123 620555585 /nfs/dbraw/zinc/55/55/85/620555585.db2.gz RFWTXMCXWSQCQT-KPKJPENVSA-N -1 1 280.327 2.826 20 30 CFEDMM O=C(/C=C/c1cc2n(n1)CCCC2)c1cc([O-])cc(F)c1 ZINC000899412509 620565588 /nfs/dbraw/zinc/56/55/88/620565588.db2.gz IVWYLQMYIIVYOQ-SNAWJCMRSA-N -1 1 286.306 2.960 20 30 CFEDMM O=C(/C=C/c1cn(C2CCC2)nn1)c1cc([O-])cc(F)c1 ZINC000899413978 620565925 /nfs/dbraw/zinc/56/59/25/620565925.db2.gz RGTKACPJMNXOKM-SNAWJCMRSA-N -1 1 287.294 2.744 20 30 CFEDMM C=CCC[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000901689702 620895262 /nfs/dbraw/zinc/89/52/62/620895262.db2.gz DXRUYLQZKPAODQ-DRZSPHRISA-N -1 1 263.337 2.912 20 30 CFEDMM C=C(C)CCSc1nc([O-])cc(=O)n1CCCC ZINC000901748661 620908160 /nfs/dbraw/zinc/90/81/60/620908160.db2.gz JOZOLAJNVIMAPS-UHFFFAOYSA-N -1 1 268.382 2.601 20 30 CFEDMM CCOc1nc(C(=O)[N-]c2sc(CC)cc2C#N)co1 ZINC000902774151 621170703 /nfs/dbraw/zinc/17/07/03/621170703.db2.gz XFCQXMIEXSUHHH-UHFFFAOYSA-N -1 1 291.332 2.821 20 30 CFEDMM C#CCCCC(=O)Nc1cccc([O-])c1Br ZINC000908710427 622267073 /nfs/dbraw/zinc/26/70/73/622267073.db2.gz PXLBXVAAUOOQQR-UHFFFAOYSA-N -1 1 282.137 2.897 20 30 CFEDMM CCC(C#N)(CC)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910993533 622496789 /nfs/dbraw/zinc/49/67/89/622496789.db2.gz QGSVDHRRIAQUPV-UHFFFAOYSA-N -1 1 268.263 2.939 20 30 CFEDMM C=C(C)CO[N-]C(=O)Cc1sc(CCCC)nc1C ZINC000911901794 622569409 /nfs/dbraw/zinc/56/94/09/622569409.db2.gz NNNJAPIZAWSDSE-UHFFFAOYSA-N -1 1 282.409 2.961 20 30 CFEDMM C[Si](C)(C)C#CCCNC(=O)c1ccc([O-])c(F)c1 ZINC000912329823 622681608 /nfs/dbraw/zinc/68/16/08/622681608.db2.gz WWBBGHDXGGTUOV-UHFFFAOYSA-N -1 1 279.387 2.532 20 30 CFEDMM [O-]c1c(Cl)cc(Cl)cc1C=NNc1cnccn1 ZINC000912961211 622805410 /nfs/dbraw/zinc/80/54/10/622805410.db2.gz DMMGYKDTYYXERW-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM COc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1O ZINC000156651659 622952388 /nfs/dbraw/zinc/95/23/88/622952388.db2.gz PUTJPTVNAHWDHE-GORDUTHDSA-N -1 1 286.283 2.708 20 30 CFEDMM O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cc(O)ccc1[O-] ZINC000156643432 622952846 /nfs/dbraw/zinc/95/28/46/622952846.db2.gz LVPWLMNJEOBMHE-FNORWQNLSA-N -1 1 285.255 2.902 20 30 CFEDMM CCn1cc(/C=C/C(=O)c2cc(OC)ccc2[O-])cn1 ZINC000156687215 622954592 /nfs/dbraw/zinc/95/45/92/622954592.db2.gz SWXLMVCDGUBLEL-GQCTYLIASA-N -1 1 272.304 2.513 20 30 CFEDMM C=CCO[N-]C(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000837045771 624080701 /nfs/dbraw/zinc/08/07/01/624080701.db2.gz ABTUHCYAGULIQX-VIFPVBQESA-N -1 1 284.153 2.786 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC000828147726 624186061 /nfs/dbraw/zinc/18/60/61/624186061.db2.gz FAOBGSMKYSVHGE-BTTYYORXSA-N -1 1 270.332 2.795 20 30 CFEDMM Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)c(C)[nH]1 ZINC000917563086 624356679 /nfs/dbraw/zinc/35/66/79/624356679.db2.gz FBXLKESGORVFLV-UHFFFAOYSA-N -1 1 257.293 2.776 20 30 CFEDMM C#CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000917650504 624372946 /nfs/dbraw/zinc/37/29/46/624372946.db2.gz MRVBRTDQNILGNU-UHFFFAOYSA-N -1 1 298.578 2.558 20 30 CFEDMM C#CCCNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000834668114 625771394 /nfs/dbraw/zinc/77/13/94/625771394.db2.gz GXSSKFXAIZFFQO-UHFFFAOYSA-N -1 1 284.281 2.609 20 30 CFEDMM CC1CC(C#N)(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000834829348 625887882 /nfs/dbraw/zinc/88/78/82/625887882.db2.gz UNTNBLFTCKQYLE-UHFFFAOYSA-N -1 1 278.739 2.602 20 30 CFEDMM C#Cc1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000055183888 626072075 /nfs/dbraw/zinc/07/20/75/626072075.db2.gz CWCKECOCENKAMV-UHFFFAOYSA-N -1 1 294.310 2.584 20 30 CFEDMM COc1ccccc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757473727 626553272 /nfs/dbraw/zinc/55/32/72/626553272.db2.gz ODYHKKYNLHNZEP-VURMDHGXSA-N -1 1 298.294 2.995 20 30 CFEDMM COC(=O)c1cc(/C=C\C(=O)c2cc(C)ccc2[O-])c[nH]1 ZINC000757476863 626553289 /nfs/dbraw/zinc/55/32/89/626553289.db2.gz VBWLYMMQJQMAAF-XQRVVYSFSA-N -1 1 285.299 2.711 20 30 CFEDMM N#CC(=C([O-])C=CSCc1ccco1)c1ccncn1 ZINC000760340887 626737138 /nfs/dbraw/zinc/73/71/38/626737138.db2.gz OXMXYUJYTBMMPH-DJFZKKHWSA-N -1 1 285.328 2.693 20 30 CFEDMM CC(C)[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765746402 627156076 /nfs/dbraw/zinc/15/60/76/627156076.db2.gz OXTZCBYNGCRBIY-CYBMUJFWSA-N -1 1 284.281 2.972 20 30 CFEDMM C#CCN(C(=O)c1ccc([O-])c(F)c1)C1CCCCC1 ZINC000767885717 627290758 /nfs/dbraw/zinc/29/07/58/627290758.db2.gz ULWIYQFRENFXBE-UHFFFAOYSA-N -1 1 275.323 2.939 20 30 CFEDMM N#Cc1ccsc1[N-]C(=O)c1nc(Cl)cs1 ZINC000790626132 627328264 /nfs/dbraw/zinc/32/82/64/627328264.db2.gz AEEXDSKWWDVHFH-UHFFFAOYSA-N -1 1 269.738 2.982 20 30 CFEDMM CC(N=Nc1cnccn1)c1ccc([O-])c(Cl)c1 ZINC000768771250 627370870 /nfs/dbraw/zinc/37/08/70/627370870.db2.gz BTZIKUSDTCXIFL-UHFFFAOYSA-N -1 1 262.700 2.672 20 30 CFEDMM CC(=NNC1CCOCC1)c1ccc([O-])c(Cl)c1 ZINC000768776958 627372339 /nfs/dbraw/zinc/37/23/39/627372339.db2.gz UPACJXMNVXJQPG-UHFFFAOYSA-N -1 1 268.744 2.538 20 30 CFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000770392985 627518417 /nfs/dbraw/zinc/51/84/17/627518417.db2.gz IWQGRVOVKPDAGB-SECBINFHSA-N -1 1 289.759 2.559 20 30 CFEDMM N#Cc1ccc(F)cc1COC(=O)c1ccc([O-])cc1F ZINC000773571232 627838397 /nfs/dbraw/zinc/83/83/97/627838397.db2.gz RKNVMMZFXPRPKG-UHFFFAOYSA-N -1 1 289.237 2.899 20 30 CFEDMM CC(C)(C#N)CCOC(=O)c1c([O-])cc(F)cc1F ZINC000776378960 628138901 /nfs/dbraw/zinc/13/89/01/628138901.db2.gz JGUBROWLAAPRFB-UHFFFAOYSA-N -1 1 269.247 2.767 20 30 CFEDMM [O-]c1ccc(C=NOCCC(F)(F)F)cc1F ZINC000777458716 628227769 /nfs/dbraw/zinc/22/77/69/628227769.db2.gz AXRRIZGDVKRXAS-UHFFFAOYSA-N -1 1 251.179 2.834 20 30 CFEDMM Cc1ncsc1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000780187754 628438091 /nfs/dbraw/zinc/43/80/91/628438091.db2.gz HJVOPUNTBXYHBL-UXBLZVDNSA-N -1 1 257.314 2.980 20 30 CFEDMM Cc1[nH]c2ccc(F)cc2c1C=NNc1nc(C)cc(=O)[n-]1 ZINC000782222201 628616756 /nfs/dbraw/zinc/61/67/56/628616756.db2.gz YOVVLGZILWYJAK-UHFFFAOYSA-N -1 1 299.309 2.865 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2cc(Cl)cs2)nc1 ZINC000782265472 628621009 /nfs/dbraw/zinc/62/10/09/628621009.db2.gz AYIRRSNQDWJJHM-UHFFFAOYSA-N -1 1 281.724 2.941 20 30 CFEDMM N#Cc1ccc2c(c1)CC[C@@H]2[N-]C(=O)C(F)(F)C(F)F ZINC000786395182 628953750 /nfs/dbraw/zinc/95/37/50/628953750.db2.gz NDQMOXLPNSOMSD-JTQLQIEISA-N -1 1 286.228 2.562 20 30 CFEDMM N#CCc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000790051142 629205636 /nfs/dbraw/zinc/20/56/36/629205636.db2.gz MCYNRWOCBHOLGH-UHFFFAOYSA-N -1 1 287.706 2.759 20 30 CFEDMM CC[C@@H](C)CON=Cc1cc(C(=O)OC)ccc1[O-] ZINC000793164219 629495806 /nfs/dbraw/zinc/49/58/06/629495806.db2.gz TYUQLAPZASNJKX-SNVBAGLBSA-N -1 1 265.309 2.575 20 30 CFEDMM CN(C)Cc1cnc(/C=C/C(=O)c2ccc([O-])cc2)s1 ZINC000794692740 629676637 /nfs/dbraw/zinc/67/66/37/629676637.db2.gz WCFZSJAKKZYJPG-BQYQJAHWSA-N -1 1 288.372 2.806 20 30 CFEDMM Cc1cnn(C)c1/C=C/C(=O)c1cc(C)ccc1[O-] ZINC000794703254 629676850 /nfs/dbraw/zinc/67/68/50/629676850.db2.gz UEXOKPSPAJNQKW-FNORWQNLSA-N -1 1 256.305 2.639 20 30 CFEDMM O=c1[n-]c(N=NC[C@@H]2CCCSC2)nc2ccccc21 ZINC000794919447 629704221 /nfs/dbraw/zinc/70/42/21/629704221.db2.gz YNCBJDACBBOKMS-JTQLQIEISA-N -1 1 288.376 2.876 20 30 CFEDMM CCCN1c2ccccc2C(=N[N-]c2ncccc2F)C1=O ZINC000794985893 629717858 /nfs/dbraw/zinc/71/78/58/629717858.db2.gz VQEYRGFAUPTJQY-UHFFFAOYSA-N -1 1 298.321 2.794 20 30 CFEDMM COC(=O)c1ccc(C(=O)O[C@H](C)c2ccc(C#N)cc2)[n-]1 ZINC000796369499 629909682 /nfs/dbraw/zinc/90/96/82/629909682.db2.gz ORLOYYUFTLHLIB-SNVBAGLBSA-N -1 1 298.298 2.591 20 30 CFEDMM C=CCCCOC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801325188 630441712 /nfs/dbraw/zinc/44/17/12/630441712.db2.gz NXMWWAKQOJUTJS-UHFFFAOYSA-N -1 1 290.294 2.840 20 30 CFEDMM C=C(C)COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801356864 630442766 /nfs/dbraw/zinc/44/27/66/630442766.db2.gz BAVOUEHXTHOBOY-UHFFFAOYSA-N -1 1 292.722 2.964 20 30 CFEDMM C=CCCOC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801369470 630442814 /nfs/dbraw/zinc/44/28/14/630442814.db2.gz OAQNJPAVSUJNFC-UHFFFAOYSA-N -1 1 272.304 2.619 20 30 CFEDMM C=C(C)COC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000801428325 630446836 /nfs/dbraw/zinc/44/68/36/630446836.db2.gz WEZKEPZLDTXVBH-UHFFFAOYSA-N -1 1 290.294 2.758 20 30 CFEDMM C#Cc1ccccc1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000811395804 631558968 /nfs/dbraw/zinc/55/89/68/631558968.db2.gz JQESLPJNVRTPTJ-UHFFFAOYSA-N -1 1 286.718 2.603 20 30 CFEDMM CC(=NNC[C@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000811658065 631597428 /nfs/dbraw/zinc/59/74/28/631597428.db2.gz GJGPGYQUQXORCU-SECBINFHSA-N -1 1 286.347 2.737 20 30 CFEDMM C#C[C@H](NC(=O)c1ncccc1[O-])c1ccc(Cl)cc1 ZINC000812353695 631695363 /nfs/dbraw/zinc/69/53/63/631695363.db2.gz WKTGZFQBIVOWCJ-LBPRGKRZSA-N -1 1 286.718 2.545 20 30 CFEDMM Cc1cc(NN=Cc2cccc(O)c2Cl)nc(C)n1 ZINC000814807483 632128695 /nfs/dbraw/zinc/12/86/95/632128695.db2.gz YFWSWSIMPKSVJT-UHFFFAOYSA-N -1 1 276.727 2.898 20 30 CFEDMM Cc1cc(N=NCc2cccc([O-])c2Cl)nc(C)n1 ZINC000814807483 632128699 /nfs/dbraw/zinc/12/86/99/632128699.db2.gz YFWSWSIMPKSVJT-UHFFFAOYSA-N -1 1 276.727 2.898 20 30 CFEDMM Cc1ccc(NN=Cc2cc(Cl)c(F)cc2[O-])nn1 ZINC000814840395 632136398 /nfs/dbraw/zinc/13/63/98/632136398.db2.gz JXTKGJAFIJIWPY-UHFFFAOYSA-N -1 1 280.690 2.729 20 30 CFEDMM Cc1ccc(N=NCc2cc(Cl)c(F)cc2[O-])nn1 ZINC000814840395 632136401 /nfs/dbraw/zinc/13/64/01/632136401.db2.gz JXTKGJAFIJIWPY-UHFFFAOYSA-N -1 1 280.690 2.729 20 30 CFEDMM COc1ccc(N=NC(C)c2cc(C(=O)[O-])cs2)nc1 ZINC000814908684 632160211 /nfs/dbraw/zinc/16/02/11/632160211.db2.gz AWIJYANBZSUIQX-UHFFFAOYSA-N -1 1 291.332 2.686 20 30 CFEDMM CC1(C)C[C@@H](NN=Cc2cccc([O-])c2Cl)CCO1 ZINC000814909838 632161080 /nfs/dbraw/zinc/16/10/80/632161080.db2.gz LPANXWFUCAPQKW-NSHDSACASA-N -1 1 282.771 2.927 20 30 CFEDMM CC(C)OCCON=Cc1cccc([O-])c1Cl ZINC000814937112 632174386 /nfs/dbraw/zinc/17/43/86/632174386.db2.gz VNMRRPVNACAIJT-UHFFFAOYSA-N -1 1 257.717 2.821 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]CC(C)(F)F ZINC000815066379 632193687 /nfs/dbraw/zinc/19/36/87/632193687.db2.gz MJZCIOGEVQOONP-UHFFFAOYSA-N -1 1 257.346 2.531 20 30 CFEDMM CC1(C)CCC[C@H]1NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844594082 632258024 /nfs/dbraw/zinc/25/80/24/632258024.db2.gz RABWUCMOTKZQIM-OAHLLOKOSA-N -1 1 298.390 2.868 20 30 CFEDMM C=C(C)CC[C@H](C)OC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000845865462 632585731 /nfs/dbraw/zinc/58/57/31/632585731.db2.gz OSTMNTBUPUNTAL-JTQLQIEISA-N -1 1 265.309 2.703 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1cccc(Cl)c1F ZINC000846551941 632740108 /nfs/dbraw/zinc/74/01/08/632740108.db2.gz BSKPIMHTQPMQLR-MRVPVSSYSA-N -1 1 257.692 2.644 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)C1(CC(=O)OC(C)(C)C)CCC1 ZINC000846555031 632742077 /nfs/dbraw/zinc/74/20/77/632742077.db2.gz QGRJCSLIWAIVBC-LLVKDONJSA-N -1 1 283.368 2.511 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846583541 632751822 /nfs/dbraw/zinc/75/18/22/632751822.db2.gz SGHFJDVIMUKKRJ-AWEZNQCLSA-N -1 1 292.285 2.525 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1c(C)nc([C@H](C)CC)nc1C ZINC000848245698 633223237 /nfs/dbraw/zinc/22/32/37/633223237.db2.gz NKZZWSSJXLLTBE-MNOVXSKESA-N -1 1 291.395 2.772 20 30 CFEDMM C#C[C@@](C)(CC)NC(=O)c1c([O-])cccc1Cl ZINC000854700796 635372994 /nfs/dbraw/zinc/37/29/94/635372994.db2.gz YHUCHHJWEDAKHK-ZDUSSCGKSA-N -1 1 251.713 2.577 20 30 CFEDMM C[C@@H](C#N)N(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000855582564 635590117 /nfs/dbraw/zinc/59/01/17/635590117.db2.gz JYUSKGQOPZVMTL-QMMMGPOBSA-N -1 1 264.712 2.562 20 30 CFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2conc2C)cc1 ZINC000860468464 636892341 /nfs/dbraw/zinc/89/23/41/636892341.db2.gz COOKZFPTJADFRW-ZDUSSCGKSA-N -1 1 297.314 2.507 20 30 CFEDMM CCCCCC(=CN=NC1=NCC(=O)[N-]1)Cc1ccccc1 ZINC000863174104 637578977 /nfs/dbraw/zinc/57/89/77/637578977.db2.gz FTYWVHIWJKYABV-TWERBRQASA-N -1 1 298.390 2.712 20 30 CFEDMM C#CCO[N-]C(=O)[C@](C)(Cc1ccccc1)C(C)C ZINC000869254953 639107757 /nfs/dbraw/zinc/10/77/57/639107757.db2.gz UUFFLLQTWZPLJW-MRXNPFEDSA-N -1 1 259.349 2.572 20 30 CFEDMM CCN(C)c1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cn1 ZINC000191319295 650490121 /nfs/dbraw/zinc/49/01/21/650490121.db2.gz HZPPBZUSFRWNOJ-QPJJXVBHSA-N -1 1 298.342 2.845 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)CC2(C#N)CCCCC2)c1 ZINC000870690063 639772513 /nfs/dbraw/zinc/77/25/13/639772513.db2.gz IDYODHQNQHYLPI-UHFFFAOYSA-N -1 1 283.331 2.832 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2CCCC23CC3)c1 ZINC000870690362 639772704 /nfs/dbraw/zinc/77/27/04/639772704.db2.gz FIWCIXNRAUPWNL-ZDUSSCGKSA-N -1 1 256.305 2.549 20 30 CFEDMM CCc1[n-]n(-c2cc(C#N)cc(Cl)n2)c(=O)c1C(C)C ZINC000871954586 641528904 /nfs/dbraw/zinc/52/89/04/641528904.db2.gz MCWGULJDNXNTKU-ZDUSSCGKSA-N -1 1 290.754 2.991 20 30 CFEDMM O=C([O-])Cc1ccc(N=NCC(F)(F)C(F)(F)F)cc1 ZINC000872387111 641786097 /nfs/dbraw/zinc/78/60/97/641786097.db2.gz MAPHPJJNHPZLJQ-UHFFFAOYSA-N -1 1 296.195 2.909 20 30 CFEDMM C=CCCCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872990066 641978702 /nfs/dbraw/zinc/97/87/02/641978702.db2.gz HCEJTUGMXBTTLA-UHFFFAOYSA-N -1 1 268.744 2.811 20 30 CFEDMM N#CC1(c2ccc(C=C3SC(=O)[N-]C3=O)cc2)CC1 ZINC000874930141 642556144 /nfs/dbraw/zinc/55/61/44/642556144.db2.gz XKXYDLACCFLHEO-YRNVUSSQSA-N -1 1 270.313 2.566 20 30 CFEDMM O=C([O-])c1cccc(/C=C/C(=O)c2ccc(O)cc2O)c1 ZINC000126465990 643234202 /nfs/dbraw/zinc/23/42/02/643234202.db2.gz GWKMAYXVUWXTOY-QPJJXVBHSA-N -1 1 284.267 2.692 20 30 CFEDMM C=CCCC[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000880389910 644685674 /nfs/dbraw/zinc/68/56/74/644685674.db2.gz KWPBYRSYSCYGFG-CYBMUJFWSA-N -1 1 272.352 2.698 20 30 CFEDMM N#Cc1ccc(C(=O)NCC2(CC3CC3)CC2)cc1[O-] ZINC000881520648 645015720 /nfs/dbraw/zinc/01/57/20/645015720.db2.gz SMQPDBLSIURMNR-UHFFFAOYSA-N -1 1 270.332 2.574 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC2CCC=CCC2)c1 ZINC000886017517 646820113 /nfs/dbraw/zinc/82/01/13/646820113.db2.gz DUMGGZBVQUROQN-UHFFFAOYSA-N -1 1 270.332 2.740 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@@H]2C2CCCC2)cc1[O-] ZINC000889407204 647563798 /nfs/dbraw/zinc/56/37/98/647563798.db2.gz LDAVNLAKJUQXOM-CQSZACIVSA-N -1 1 270.332 2.669 20 30 CFEDMM CC[C@@H](Nc1cnn(CCF)c1)c1cccc(C#N)c1[O-] ZINC000926754235 648603284 /nfs/dbraw/zinc/60/32/84/648603284.db2.gz NEUHIIUEWRFBRB-CQSZACIVSA-N -1 1 288.326 2.993 20 30 CFEDMM Cc1noc(C(C)C)c1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000928787764 648954494 /nfs/dbraw/zinc/95/44/94/648954494.db2.gz OBRFWXCCOURXCZ-UHFFFAOYSA-N -1 1 285.303 2.936 20 30 CFEDMM C=CC[C@@H]1CCN1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932063843 649530581 /nfs/dbraw/zinc/53/05/81/649530581.db2.gz XQRZOIKOBJSORH-CYBMUJFWSA-N -1 1 298.346 2.760 20 30 CFEDMM COC(=O)c1ccc(-c2cccc([O-])c2F)cc1C#N ZINC001243545149 782267999 /nfs/dbraw/zinc/26/79/99/782267999.db2.gz UNWDNYNAFCKINU-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM CCCc1cc(=O)[n-]c(SCc2cncc(C#N)c2)n1 ZINC000721557382 775163131 /nfs/dbraw/zinc/16/31/31/775163131.db2.gz AZQXKJSELAPVAU-UHFFFAOYSA-N -1 1 286.360 2.694 20 30 CFEDMM C=C[C@@H](CCCCCC)OCC[P@](=O)([O-])O ZINC001224602429 775224242 /nfs/dbraw/zinc/22/42/42/775224242.db2.gz RAOQRVWSJULFHV-NSHDSACASA-N -1 1 250.275 2.706 20 30 CFEDMM C=CC[C@H](CCC)OCCCC[P@](=O)([O-])O ZINC001225021890 775338747 /nfs/dbraw/zinc/33/87/47/775338747.db2.gz JYOSGULIDAXFDR-LLVKDONJSA-N -1 1 250.275 2.706 20 30 CFEDMM C=C[C@]1(C)CC[C@H](Oc2cc(=O)[n-]c(=S)[nH]2)C(C)(C)O1 ZINC001225765974 775586327 /nfs/dbraw/zinc/58/63/27/775586327.db2.gz PEKPPARTVDDCEE-LKFCYVNXSA-N -1 1 296.392 2.752 20 30 CFEDMM C#C[C@@H](CC)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226181980 775728102 /nfs/dbraw/zinc/72/81/02/775728102.db2.gz IMAWYXAQXWUTAA-LBPRGKRZSA-N -1 1 254.289 2.640 20 30 CFEDMM C#C[C@@H](CCCCC)Oc1[n-]c(=S)ncc1OC ZINC001226243232 775753350 /nfs/dbraw/zinc/75/33/50/775753350.db2.gz ZPSUUSALWKDTBI-JTQLQIEISA-N -1 1 266.366 2.735 20 30 CFEDMM C[C@@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1F ZINC001226252816 775756197 /nfs/dbraw/zinc/75/61/97/775756197.db2.gz ASVSBSGGYMSWJV-PTPOTIKZSA-N -1 1 261.256 2.564 20 30 CFEDMM C=CCOc1ccccc1[C@@H](C)Oc1nccc(/C=N/[O-])n1 ZINC001226255990 775757775 /nfs/dbraw/zinc/75/77/75/775757775.db2.gz NKTMVWCFRRHYBB-MBNTZHJCSA-N -1 1 299.330 2.990 20 30 CFEDMM C[C@H](Oc1nccc(/C=N/[O-])n1)c1ccc(F)c(F)c1 ZINC001226256924 775758073 /nfs/dbraw/zinc/75/80/73/775758073.db2.gz XANZNFDLLJMXQX-TXQWPAICSA-N -1 1 279.246 2.703 20 30 CFEDMM C=CCOc1ccccc1[C@H](C)Oc1cnc[n-]c1=O ZINC001227052471 776075409 /nfs/dbraw/zinc/07/54/09/776075409.db2.gz ZRJILSSGIKVOOB-NSHDSACASA-N -1 1 272.304 2.887 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC1CCOCC1 ZINC001227119811 776106350 /nfs/dbraw/zinc/10/63/50/776106350.db2.gz YQUJXKGBNGGHKD-UHFFFAOYSA-N -1 1 276.332 2.881 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)COC ZINC001227120204 776106434 /nfs/dbraw/zinc/10/64/34/776106434.db2.gz HQFLVMQLGRRVJM-JTQLQIEISA-N -1 1 264.321 2.737 20 30 CFEDMM C[C@H](Oc1[n-]c(=S)ncc1F)c1ccccc1C#N ZINC001227384938 776190375 /nfs/dbraw/zinc/19/03/75/776190375.db2.gz DMJQWRMIDJLXKL-QMMMGPOBSA-N -1 1 275.308 2.916 20 30 CFEDMM C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=O)nc2c1CO[C@@H]2C ZINC001227716459 776268094 /nfs/dbraw/zinc/26/80/94/776268094.db2.gz QJQSYHPBLWLXHM-MNOVXSKESA-N -1 1 288.347 2.756 20 30 CFEDMM C[C@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1ccccc1C#N ZINC001227716554 776269054 /nfs/dbraw/zinc/26/90/54/776269054.db2.gz RQWHMNVMFHUVSN-VHSXEESVSA-N -1 1 297.314 2.785 20 30 CFEDMM C=CC[C@@H](Oc1cc(=O)[n-]c(SC)n1)C(C)C ZINC001228094987 776395867 /nfs/dbraw/zinc/39/58/67/776395867.db2.gz OOWKTSNWPOBCQM-SECBINFHSA-N -1 1 254.355 2.884 20 30 CFEDMM N#Cc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1N ZINC001213445826 776427888 /nfs/dbraw/zinc/42/78/88/776427888.db2.gz PUMFFBCWZWVTBD-UHFFFAOYSA-N -1 1 291.314 2.775 20 30 CFEDMM C=CCCCCCC[C@@H](C)Oc1nc(C(=O)OC)n[n-]1 ZINC001228312403 776454451 /nfs/dbraw/zinc/45/44/51/776454451.db2.gz SKINOWMIDOXGLI-LLVKDONJSA-N -1 1 281.356 2.885 20 30 CFEDMM C=CCCCCCC[C@@H](C)Oc1n[n-]c(C(=O)OC)n1 ZINC001228312403 776454459 /nfs/dbraw/zinc/45/44/59/776454459.db2.gz SKINOWMIDOXGLI-LLVKDONJSA-N -1 1 281.356 2.885 20 30 CFEDMM C#C[C@@H](Oc1cc([O-])c(Cl)cc1Cl)C(=O)OCC ZINC001229405948 776802287 /nfs/dbraw/zinc/80/22/87/776802287.db2.gz FKVNORHCDYYIPO-SNVBAGLBSA-N -1 1 289.114 2.643 20 30 CFEDMM CCC[C@H](CC(=O)OC)Oc1ccccc1/C(C)=N/[O-] ZINC001229736461 776882547 /nfs/dbraw/zinc/88/25/47/776882547.db2.gz CTUYMAJZGIXPQD-PILJQMSFSA-N -1 1 279.336 2.995 20 30 CFEDMM C=C[C@@H](CCCCC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230280687 776971070 /nfs/dbraw/zinc/97/10/70/776971070.db2.gz YTEICVHGBZXAIS-JTQLQIEISA-N -1 1 252.314 2.710 20 30 CFEDMM C[C@@H](CS)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231050406 777124867 /nfs/dbraw/zinc/12/48/67/777124867.db2.gz SNBYNCABPRPLIG-BYPYZUCNSA-N -1 1 278.164 2.962 20 30 CFEDMM C[C@@H](CS)Oc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231050406 777124870 /nfs/dbraw/zinc/12/48/70/777124870.db2.gz SNBYNCABPRPLIG-BYPYZUCNSA-N -1 1 278.164 2.962 20 30 CFEDMM N#C[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001231459210 777226448 /nfs/dbraw/zinc/22/64/48/777226448.db2.gz VIFNVQQFHPYZMQ-LLVKDONJSA-N -1 1 276.311 2.650 20 30 CFEDMM CCCN(CCC#N)Cc1cc([O-])c(F)c(F)c1 ZINC001232971622 777746249 /nfs/dbraw/zinc/74/62/49/777746249.db2.gz ORVWBUIUPUSFNX-UHFFFAOYSA-N -1 1 254.280 2.796 20 30 CFEDMM C#C[C@H](CCCC)Oc1[n-]c(=O)ncc1Br ZINC001227137562 777771066 /nfs/dbraw/zinc/77/10/66/777771066.db2.gz KKHJAAJMVGSVRX-MRVPVSSYSA-N -1 1 285.141 2.516 20 30 CFEDMM C#C[C@H](CC)Oc1cc([O-])c(O)cc1C(=O)CCC ZINC001233497641 777968411 /nfs/dbraw/zinc/96/84/11/777968411.db2.gz QGWWRISYNZMBCC-SNVBAGLBSA-N -1 1 262.305 2.871 20 30 CFEDMM C#CC[C@@H](C)Oc1cc([O-])c(O)cc1C(=O)CCC ZINC001233498715 777970064 /nfs/dbraw/zinc/97/00/64/777970064.db2.gz VATPXDPUZGKXFF-SNVBAGLBSA-N -1 1 262.305 2.871 20 30 CFEDMM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1ccccc1C=N[O-] ZINC001234819102 778301552 /nfs/dbraw/zinc/30/15/52/778301552.db2.gz HILATNZACFCXIY-UKRRQHHQSA-N -1 1 291.347 2.995 20 30 CFEDMM CCOC(=O)[C@H]1CC[C@H](Oc2ccccc2C=N[O-])C1 ZINC001234817817 778301779 /nfs/dbraw/zinc/30/17/79/778301779.db2.gz ABSHUVVCBZHEDY-AAEUAGOBSA-N -1 1 277.320 2.605 20 30 CFEDMM CCOC(=O)[C@@H]1CCC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234818739 778302344 /nfs/dbraw/zinc/30/23/44/778302344.db2.gz DDDBARPQANTLNA-TZMCWYRMSA-N -1 1 291.347 2.995 20 30 CFEDMM [O-]N=Cc1ccccc1OC[C@@H]1Cc2ccccc2O1 ZINC001234823446 778303199 /nfs/dbraw/zinc/30/31/99/778303199.db2.gz UWCAWGYQFQJSHX-AWEZNQCLSA-N -1 1 269.300 2.877 20 30 CFEDMM C=CCNC(=O)c1cccnc1-c1c(F)ccc(C)c1[O-] ZINC001236389385 778799842 /nfs/dbraw/zinc/79/98/42/778799842.db2.gz CZNFOHBVBOVJSO-UHFFFAOYSA-N -1 1 286.306 2.818 20 30 CFEDMM N#CCC1CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237946382 779214448 /nfs/dbraw/zinc/21/44/48/779214448.db2.gz KYAUJDITDPMDGE-UHFFFAOYSA-N -1 1 254.692 2.530 20 30 CFEDMM [O-]/N=C/c1ccc(F)c(-c2cnn(C3CCOCC3)c2)c1 ZINC001240089200 779940902 /nfs/dbraw/zinc/94/09/02/779940902.db2.gz ZSRWGSOXGRKCOD-QGMBQPNBSA-N -1 1 289.310 2.849 20 30 CFEDMM [O-]/N=C/c1cc(-c2cn[nH]c2)cc(C(F)(F)F)c1 ZINC001240241397 780023560 /nfs/dbraw/zinc/02/35/60/780023560.db2.gz MQSJSVNMKMRAJZ-HAVNEIBRSA-N -1 1 255.199 2.904 20 30 CFEDMM COC(=O)c1ccc(C#N)cc1-c1ccc([O-])c(F)c1 ZINC001240789714 780445010 /nfs/dbraw/zinc/44/50/10/780445010.db2.gz BHLJBQUGQSHBGF-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM Cc1cnc(-c2c(F)ccc([O-])c2F)c(/C=N/O)c1 ZINC001241288896 780758062 /nfs/dbraw/zinc/75/80/62/780758062.db2.gz AEJHBUCCXOQSHR-UBKPWBPPSA-N -1 1 264.231 2.849 20 30 CFEDMM N#Cc1nccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242127173 781294533 /nfs/dbraw/zinc/29/45/33/781294533.db2.gz WJSPBXKSORYJRK-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM N#Cc1c[nH]c2cc(-c3cccc(F)c3[O-])cnc12 ZINC001242351929 781424278 /nfs/dbraw/zinc/42/42/78/781424278.db2.gz BXZFSUNIFTZXOY-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM COCCCn1cc(-c2ccc(/C=N/[O-])c(F)c2)cn1 ZINC001242489522 781541442 /nfs/dbraw/zinc/54/14/42/781541442.db2.gz LGPGZQRJKWJLAA-RQZCQDPDSA-N -1 1 277.299 2.534 20 30 CFEDMM N#Cc1cc(-c2cc(OCC3CC3)ncn2)ccc1[O-] ZINC001242563080 781601441 /nfs/dbraw/zinc/60/14/41/781601441.db2.gz RTOJNQYUIKLDHA-UHFFFAOYSA-N -1 1 267.288 2.510 20 30 CFEDMM CCN(CC)c1cncc(-c2ccc([O-])c(C#N)c2)n1 ZINC001242563062 781601609 /nfs/dbraw/zinc/60/16/09/781601609.db2.gz AHANOVYHBLGTBB-UHFFFAOYSA-N -1 1 268.320 2.567 20 30 CFEDMM N#Cc1cc(-c2ncnc3cc4c(cc32)OCO4)ccc1[O-] ZINC001242564403 781603434 /nfs/dbraw/zinc/60/34/34/781603434.db2.gz XWZIQEOXNPMMJI-UHFFFAOYSA-N -1 1 291.266 2.603 20 30 CFEDMM N#Cc1cc(-c2ncc(C(F)(F)F)cc2N)ccc1[O-] ZINC001242564433 781603470 /nfs/dbraw/zinc/60/34/70/781603470.db2.gz ZLEQOQAJPCRWMO-UHFFFAOYSA-N -1 1 279.221 2.927 20 30 CFEDMM Cc1c2nc[nH]c2ncc1-c1ccc([O-])c(C#N)c1 ZINC001242565153 781603733 /nfs/dbraw/zinc/60/37/33/781603733.db2.gz OGLZQTKWULWGPB-UHFFFAOYSA-N -1 1 250.261 2.511 20 30 CFEDMM N#Cc1cc(-c2ccc(C(=O)N3CCCC3)nc2)ccc1[O-] ZINC001242565414 781604616 /nfs/dbraw/zinc/60/46/16/781604616.db2.gz BNNDQMRLPLYPNQ-UHFFFAOYSA-N -1 1 293.326 2.562 20 30 CFEDMM CCOCc1cncc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242566091 781605152 /nfs/dbraw/zinc/60/51/52/781605152.db2.gz IMTRVBXGUNVXIF-UHFFFAOYSA-N -1 1 254.289 2.862 20 30 CFEDMM CC(C)n1ccc(-c2ccc([O-])c(C#N)c2)cc1=O ZINC001242565470 781605167 /nfs/dbraw/zinc/60/51/67/781605167.db2.gz GHSPOUKOPNZUKO-UHFFFAOYSA-N -1 1 254.289 2.673 20 30 CFEDMM N#Cc1cc(-c2cnc(OCC(F)(F)F)cn2)ccc1[O-] ZINC001242567178 781606407 /nfs/dbraw/zinc/60/64/07/781606407.db2.gz QIKBIAVPDUQURI-UHFFFAOYSA-N -1 1 295.220 2.662 20 30 CFEDMM COc1nc(-c2cccc([O-])c2Cl)ccc1C#N ZINC001242801806 781766837 /nfs/dbraw/zinc/76/68/37/781766837.db2.gz XJDORBVAROPRFS-UHFFFAOYSA-N -1 1 260.680 2.988 20 30 CFEDMM CC(C)[C@@H]1C[C@@H](N=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596185402 349820740 /nfs/dbraw/zinc/82/07/40/349820740.db2.gz QPDDPQVGDQQFQW-WPRPVWTQSA-N -1 1 285.800 2.706 20 30 CFEDMM N#Cc1[n-]c(=NC[C@H]2CCCC2(F)F)sc1Cl ZINC000596254665 349842075 /nfs/dbraw/zinc/84/20/75/349842075.db2.gz LUUMFFCFBMOBRJ-ZCFIWIBFSA-N -1 1 277.727 2.937 20 30 CFEDMM CCCc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000187628357 348131079 /nfs/dbraw/zinc/13/10/79/348131079.db2.gz HITGZIHVFCBZEQ-IJDCCNJMSA-N -1 1 298.338 2.867 20 30 CFEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H]2CCC[C@@H]21 ZINC000584675334 348704693 /nfs/dbraw/zinc/70/46/93/348704693.db2.gz JVYYIIMXWODWOW-UONOGXRCSA-N -1 1 284.359 2.915 20 30 CFEDMM Cc1ccccc1C[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589169074 348814893 /nfs/dbraw/zinc/81/48/93/348814893.db2.gz WFPAWKUYGOMRHR-CYBMUJFWSA-N -1 1 294.354 2.933 20 30 CFEDMM C[C@@H]1CCC[C@H](N(C)C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589168689 348815020 /nfs/dbraw/zinc/81/50/20/348815020.db2.gz DNPBUIQMYSGRSG-RISCZKNCSA-N -1 1 272.348 2.915 20 30 CFEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1F ZINC000589177556 348816108 /nfs/dbraw/zinc/81/61/08/348816108.db2.gz FANFHFAVFFIQFB-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM CC[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589185038 348816818 /nfs/dbraw/zinc/81/68/18/348816818.db2.gz RHIBKZAMZXESQZ-BXUZGUMPSA-N -1 1 272.348 2.962 20 30 CFEDMM CC[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589181844 348817233 /nfs/dbraw/zinc/81/72/33/348817233.db2.gz HSYKDUWTNGTOLW-GFCCVEGCSA-N -1 1 272.348 2.916 20 30 CFEDMM CCC1(CC)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589189182 348817737 /nfs/dbraw/zinc/81/77/37/348817737.db2.gz LKECXQUOXVJTBO-UHFFFAOYSA-N -1 1 272.348 2.916 20 30 CFEDMM C[C@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589188691 348818245 /nfs/dbraw/zinc/81/82/45/348818245.db2.gz HHHUBRGSSULXMX-QWRGUYRKSA-N -1 1 258.321 2.524 20 30 CFEDMM C[C@H]1CCCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589209310 348819975 /nfs/dbraw/zinc/81/99/75/348819975.db2.gz NQJDORLLAPLXMF-NSHDSACASA-N -1 1 258.321 2.526 20 30 CFEDMM N#Cc1cc(CSc2nc(C(F)F)cc(=O)[n-]2)ccn1 ZINC000589261736 348823493 /nfs/dbraw/zinc/82/34/93/348823493.db2.gz VYUDPMACZZFJQM-UHFFFAOYSA-N -1 1 294.286 2.679 20 30 CFEDMM N#Cc1ccc(C(=O)NC2(C(F)F)CCCC2)cc1[O-] ZINC000589949172 348864806 /nfs/dbraw/zinc/86/48/06/348864806.db2.gz LCWABZKHCBRCQX-UHFFFAOYSA-N -1 1 280.274 2.572 20 30 CFEDMM Cc1ccc(F)c(-c2cc(=NC(=O)CC3(C#N)CC3)[nH][n-]2)c1 ZINC000590738899 348940129 /nfs/dbraw/zinc/94/01/29/348940129.db2.gz DIUUYDIPSISXOW-UHFFFAOYSA-N -1 1 298.321 2.579 20 30 CFEDMM Cc1ccc2[nH]c(NC(=O)c3cc([O-])cc(C#N)c3)nc2c1 ZINC000590451862 348901501 /nfs/dbraw/zinc/90/15/01/348901501.db2.gz RTVFWYKLASEWGM-UHFFFAOYSA-N -1 1 292.298 2.701 20 30 CFEDMM Cc1ccc2nc(NC(=O)c3cc([O-])cc(C#N)c3)[nH]c2c1 ZINC000590451862 348901504 /nfs/dbraw/zinc/90/15/04/348901504.db2.gz RTVFWYKLASEWGM-UHFFFAOYSA-N -1 1 292.298 2.701 20 30 CFEDMM C[C@@H]1CCCC[C@]1(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000590893883 348963136 /nfs/dbraw/zinc/96/31/36/348963136.db2.gz RXUGRCGZNNCZIU-BZNIZROVSA-N -1 1 272.348 2.962 20 30 CFEDMM CC(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(F)(F)F ZINC000591233815 349001148 /nfs/dbraw/zinc/00/11/48/349001148.db2.gz AAMZRYOQIQXCCL-NSHDSACASA-N -1 1 286.253 2.581 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC2CCC(F)CC2)c1 ZINC000592896599 349174986 /nfs/dbraw/zinc/17/49/86/349174986.db2.gz AGEUVZHTLYDRQL-UHFFFAOYSA-N -1 1 276.311 2.522 20 30 CFEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ncc2ccccc2c1[O-] ZINC000597352183 350087923 /nfs/dbraw/zinc/08/79/23/350087923.db2.gz VPZLWZLZQNZMCL-GFCCVEGCSA-N -1 1 283.331 2.608 20 30 CFEDMM C=CCCSCCNC(=O)c1cc(F)ccc1[O-] ZINC000597968971 350165003 /nfs/dbraw/zinc/16/50/03/350165003.db2.gz SJTDNDYLRUDKBA-UHFFFAOYSA-N -1 1 269.341 2.570 20 30 CFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCC(F)CC1 ZINC000598368201 350251649 /nfs/dbraw/zinc/25/16/49/350251649.db2.gz YQDWBQIGVDLZTF-PWQPVHBWSA-N -1 1 290.338 2.910 20 30 CFEDMM C[C@]1(C#N)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000598410654 350260754 /nfs/dbraw/zinc/26/07/54/350260754.db2.gz LTXNHJGFVZVWTL-QGZVFWFLSA-N -1 1 280.327 2.921 20 30 CFEDMM C=CCN(Cc1nc(=O)c2sccc2[n-]1)C1CC1 ZINC000271375141 191105231 /nfs/dbraw/zinc/10/52/31/191105231.db2.gz HKVCFQQXONLQGY-UHFFFAOYSA-N -1 1 261.350 2.547 20 30 CFEDMM N#CCCN(CC1CC1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601036897 350648466 /nfs/dbraw/zinc/64/84/66/350648466.db2.gz HSNXXFNKLPRDEC-UHFFFAOYSA-N -1 1 292.766 2.740 20 30 CFEDMM Cc1nc(SCc2ccncc2C#N)[n-]c(=O)c1C1CC1 ZINC000601088680 350665274 /nfs/dbraw/zinc/66/52/74/350665274.db2.gz YDOBTBLWTAPKHV-UHFFFAOYSA-N -1 1 298.371 2.927 20 30 CFEDMM Cc1[n-]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1C1CC1 ZINC000601948769 350815225 /nfs/dbraw/zinc/81/52/25/350815225.db2.gz LCTKAGGYMCFDRD-ZDUSSCGKSA-N -1 1 273.723 2.960 20 30 CFEDMM Cc1nn(C)cc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000603627757 351176329 /nfs/dbraw/zinc/17/63/29/351176329.db2.gz MGVBRAQDDXRFNX-ZDUSSCGKSA-N -1 1 290.326 2.767 20 30 CFEDMM N#C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000613445189 351961093 /nfs/dbraw/zinc/96/10/93/351961093.db2.gz UJFPIUANBUQPLD-ZDUSSCGKSA-N -1 1 288.253 2.665 20 30 CFEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000613510029 351972550 /nfs/dbraw/zinc/97/25/50/351972550.db2.gz APQMLIXFJMAVJO-BONVTDFDSA-N -1 1 276.311 2.734 20 30 CFEDMM COc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614293417 352076367 /nfs/dbraw/zinc/07/63/67/352076367.db2.gz PBMRCXWNTKPELF-UHFFFAOYSA-N -1 1 268.272 2.525 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(Cl)cc2)c1 ZINC000614293471 352076467 /nfs/dbraw/zinc/07/64/67/352076467.db2.gz UAHVETNYNIRUAF-UHFFFAOYSA-N -1 1 286.718 2.847 20 30 CFEDMM CN(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293349 352076634 /nfs/dbraw/zinc/07/66/34/352076634.db2.gz KXILTNKHXPXTHM-UHFFFAOYSA-N -1 1 266.300 2.536 20 30 CFEDMM CC(C)[C@@H](C)N(C(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000614366359 352085387 /nfs/dbraw/zinc/08/53/87/352085387.db2.gz NUMZYKGMYVEXDB-LLVKDONJSA-N -1 1 272.348 2.913 20 30 CFEDMM CCc1ccccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000614370083 352086126 /nfs/dbraw/zinc/08/61/26/352086126.db2.gz VDEYKPRYYWENNX-UHFFFAOYSA-N -1 1 280.327 2.756 20 30 CFEDMM CC(C)C[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614370616 352086488 /nfs/dbraw/zinc/08/64/88/352086488.db2.gz XGPBVJOVTAPEEC-LBPRGKRZSA-N -1 1 272.348 2.772 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC2(c3ccccc3)CC2)c1 ZINC000614713433 352114363 /nfs/dbraw/zinc/11/43/63/352114363.db2.gz RNKZLZWXVCQLDA-UHFFFAOYSA-N -1 1 292.338 2.725 20 30 CFEDMM Cc1ccc(F)c(CN(C)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000618246197 352738061 /nfs/dbraw/zinc/73/80/61/352738061.db2.gz KLMUZDDPHQWRIM-UHFFFAOYSA-N -1 1 298.317 2.984 20 30 CFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000619461197 353026920 /nfs/dbraw/zinc/02/69/20/353026920.db2.gz TVPLSPOUEKJSTD-UHFFFAOYSA-N -1 1 290.319 2.693 20 30 CFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000619461128 353027085 /nfs/dbraw/zinc/02/70/85/353027085.db2.gz CEXWXFSZWKBGBQ-UHFFFAOYSA-N -1 1 290.319 2.693 20 30 CFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)ccc1[O-] ZINC000620305406 353149377 /nfs/dbraw/zinc/14/93/77/353149377.db2.gz FLHZSRKSHJZOEV-TXEJJXNPSA-N -1 1 261.296 2.855 20 30 CFEDMM C=CC(C)(C)CCNC(=O)c1c([O-])cccc1F ZINC000628313981 354540356 /nfs/dbraw/zinc/54/03/56/354540356.db2.gz JINWXSIEYMILAQ-UHFFFAOYSA-N -1 1 251.301 2.863 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@H]2c2ccccc2)cc1[O-] ZINC000336404568 283126575 /nfs/dbraw/zinc/12/65/75/283126575.db2.gz ATHZKWJXDCRNKZ-HNNXBMFYSA-N -1 1 278.311 2.851 20 30 CFEDMM N#Cc1ccc(C(=O)NC2(c3ccccc3)CC2)cc1[O-] ZINC000336357723 283128693 /nfs/dbraw/zinc/12/86/93/283128693.db2.gz XOMJXMUQXVIFSJ-UHFFFAOYSA-N -1 1 278.311 2.683 20 30 CFEDMM CCc1nnc(-c2ccc(F)c([O-])c2)c(C#N)c1CC ZINC001243050736 781955854 /nfs/dbraw/zinc/95/58/54/781955854.db2.gz SBOXLOLHPVVTHU-UHFFFAOYSA-N -1 1 271.295 2.985 20 30 CFEDMM N#Cc1ccc(C(=O)NCCC2CCCCC2)cc1[O-] ZINC000442852882 241007408 /nfs/dbraw/zinc/00/74/08/241007408.db2.gz GQPWDGMJHVHOIQ-UHFFFAOYSA-N -1 1 272.348 2.964 20 30 CFEDMM CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000451677005 242918829 /nfs/dbraw/zinc/91/88/29/242918829.db2.gz BREZVKXJECDECZ-NEPJUHHUSA-N -1 1 296.392 2.646 20 30 CFEDMM CC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000451677008 242919870 /nfs/dbraw/zinc/91/98/70/242919870.db2.gz BREZVKXJECDECZ-VXGBXAGGSA-N -1 1 296.392 2.646 20 30 CFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H]1CCC[C@H](C)C1 ZINC000452086443 243039428 /nfs/dbraw/zinc/03/94/28/243039428.db2.gz XPMJYFVIPOZXCZ-SRVKXCTJSA-N -1 1 296.392 2.644 20 30 CFEDMM CC(C)CC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000330679841 203110433 /nfs/dbraw/zinc/11/04/33/203110433.db2.gz XZXHQIUEROZGAS-UHFFFAOYSA-N -1 1 284.381 2.502 20 30 CFEDMM CCc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000016130196 372099868 /nfs/dbraw/zinc/09/98/68/372099868.db2.gz NQCALGGNLAPASR-UHFFFAOYSA-N -1 1 286.356 2.921 20 30 CFEDMM N#CCc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000028435020 372365506 /nfs/dbraw/zinc/36/55/06/372365506.db2.gz HHWQZWMDJOSLEY-UHFFFAOYSA-N -1 1 252.273 2.711 20 30 CFEDMM CCN(CCC#N)C(=O)c1ccc2ccccc2c1[O-] ZINC000044413385 373004199 /nfs/dbraw/zinc/00/41/99/373004199.db2.gz KIRSSMRCKWDDNB-UHFFFAOYSA-N -1 1 268.316 2.921 20 30 CFEDMM C[C@@H](CC#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000050391280 373372790 /nfs/dbraw/zinc/37/27/90/373372790.db2.gz KHMHQICKSFZNDA-JTQLQIEISA-N -1 1 254.289 2.577 20 30 CFEDMM C[C@H](CC#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000050391282 373372857 /nfs/dbraw/zinc/37/28/57/373372857.db2.gz KHMHQICKSFZNDA-SNVBAGLBSA-N -1 1 254.289 2.577 20 30 CFEDMM N#CCc1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000051266201 373392050 /nfs/dbraw/zinc/39/20/50/373392050.db2.gz HFJMTBDXBHFPKH-UHFFFAOYSA-N -1 1 295.224 2.526 20 30 CFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000070431826 374173477 /nfs/dbraw/zinc/17/34/77/374173477.db2.gz VODHALOBMHQSBG-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000074932556 374446834 /nfs/dbraw/zinc/44/68/34/374446834.db2.gz QGNCJSUDICSAHT-UHFFFAOYSA-N -1 1 272.329 2.668 20 30 CFEDMM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000091514449 375054561 /nfs/dbraw/zinc/05/45/61/375054561.db2.gz IIGCVVHKAFNCQT-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1ccc2nc(-c3ccc([N+](=O)[O-])c([O-])c3)[nH]c2c1 ZINC000154235301 378550928 /nfs/dbraw/zinc/55/09/28/378550928.db2.gz DVCFEULDNDWWTL-UHFFFAOYSA-N -1 1 280.243 2.715 20 30 CFEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC000335902253 380079265 /nfs/dbraw/zinc/07/92/65/380079265.db2.gz FYJPPRMOWDZKFN-UHFFFAOYSA-N -1 1 282.708 2.605 20 30 CFEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]1C1CC1 ZINC000336020979 380248411 /nfs/dbraw/zinc/24/84/11/380248411.db2.gz YATJWVNYZKDNDT-AWEZNQCLSA-N -1 1 270.332 2.524 20 30 CFEDMM COc1cc(Cl)cc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000345990610 382326412 /nfs/dbraw/zinc/32/64/12/382326412.db2.gz JRHQEIMSNSQPPC-GFCCVEGCSA-N -1 1 287.706 2.629 20 30 CFEDMM Cc1ocnc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000345367359 382299624 /nfs/dbraw/zinc/29/96/24/382299624.db2.gz DPNXLGFVGMJBCH-SNVBAGLBSA-N -1 1 280.287 2.658 20 30 CFEDMM N#Cc1ccc(C(=O)NCc2coc3ccccc23)cc1[O-] ZINC000352382862 382299664 /nfs/dbraw/zinc/29/96/64/382299664.db2.gz TZEIMSRQRPITRV-UHFFFAOYSA-N -1 1 292.294 2.940 20 30 CFEDMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188534833 382430107 /nfs/dbraw/zinc/43/01/07/382430107.db2.gz YALWQXLONIGDDL-VXGBXAGGSA-N -1 1 272.348 2.915 20 30 CFEDMM CCSCC[C@@H](C)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188625252 382445960 /nfs/dbraw/zinc/44/59/60/382445960.db2.gz MNLXGAZFFGCUHL-LLVKDONJSA-N -1 1 292.404 2.868 20 30 CFEDMM Cc1csc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000188431079 382412495 /nfs/dbraw/zinc/41/24/95/382412495.db2.gz POPADRWOAWQOEW-SECBINFHSA-N -1 1 287.344 2.520 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)cc1[O-] ZINC000188478521 382421331 /nfs/dbraw/zinc/42/13/31/382421331.db2.gz VWQPCCSFUMMBEN-HZPDHXFCSA-N -1 1 292.338 2.797 20 30 CFEDMM Cc1nc(SCC(=O)c2ccc(C#N)cc2)[n-]c(=O)c1C ZINC000346719416 382488344 /nfs/dbraw/zinc/48/83/44/382488344.db2.gz AMPNDTRJFUGDEB-UHFFFAOYSA-N -1 1 299.355 2.646 20 30 CFEDMM C#CCC(C)(C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000189980963 382648355 /nfs/dbraw/zinc/64/83/55/382648355.db2.gz GBLSXDKSZBIRAR-UHFFFAOYSA-N -1 1 297.152 2.538 20 30 CFEDMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000191002319 382688071 /nfs/dbraw/zinc/68/80/71/382688071.db2.gz WMMYAXDTZBQCOK-BXUZGUMPSA-N -1 1 272.348 2.820 20 30 CFEDMM CCOc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442622474 382938813 /nfs/dbraw/zinc/93/88/13/382938813.db2.gz MFLQRLCFZPEKKK-UHFFFAOYSA-N -1 1 296.326 2.593 20 30 CFEDMM C[C@@H](CCc1ccco1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442633939 382939839 /nfs/dbraw/zinc/93/98/39/382939839.db2.gz LHMYREGSCXUKEY-NSHDSACASA-N -1 1 284.315 2.608 20 30 CFEDMM Cc1nc(C)c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000543573697 382971546 /nfs/dbraw/zinc/97/15/46/382971546.db2.gz FRNLURSRIMDOAB-LLVKDONJSA-N -1 1 294.314 2.966 20 30 CFEDMM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553483756 383109871 /nfs/dbraw/zinc/10/98/71/383109871.db2.gz YMDDAVRSXWIMBI-AAEUAGOBSA-N -1 1 296.392 2.788 20 30 CFEDMM CCC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCC1 ZINC000458344913 383169203 /nfs/dbraw/zinc/16/92/03/383169203.db2.gz WCSJMDMZWNMZMP-CQSZACIVSA-N -1 1 272.348 2.962 20 30 CFEDMM C=CCCCCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000519423319 383216792 /nfs/dbraw/zinc/21/67/92/383216792.db2.gz CMGRZVVKSMBBFH-UHFFFAOYSA-N -1 1 258.321 2.740 20 30 CFEDMM C=C(C)CN(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302032939 393486802 /nfs/dbraw/zinc/48/68/02/393486802.db2.gz IZOXQWUKAPIDJB-UHFFFAOYSA-N -1 1 284.363 2.873 20 30 CFEDMM N#C[C@H]1CC[C@@H](N=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000335599948 393682747 /nfs/dbraw/zinc/68/27/47/393682747.db2.gz YXQKZMKBZIKBTF-NKWVEPMBSA-N -1 1 261.272 2.688 20 30 CFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1CC(C)(C)C1 ZINC000335128288 393644110 /nfs/dbraw/zinc/64/41/10/393644110.db2.gz GVKHDGGFNSAEKL-UHFFFAOYSA-N -1 1 258.321 2.524 20 30 CFEDMM CC(C)C[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336611492 393743789 /nfs/dbraw/zinc/74/37/89/393743789.db2.gz KRAAWZAVNMHVAQ-CQSZACIVSA-N -1 1 272.348 2.915 20 30 CFEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CC1(C)C ZINC000416276262 393895005 /nfs/dbraw/zinc/89/50/05/393895005.db2.gz MHSXFWUEXXTASI-STQMWFEESA-N -1 1 272.348 2.818 20 30 CFEDMM CC(C)(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000416637110 393934192 /nfs/dbraw/zinc/93/41/92/393934192.db2.gz SYNRNTMEVZNDJW-RYUDHWBXSA-N -1 1 296.392 2.644 20 30 CFEDMM C=CCN(CC=C)[C@@H](CN=c1nc(CC)[n-]s1)C(C)C ZINC000348720624 393957181 /nfs/dbraw/zinc/95/71/81/393957181.db2.gz DHEYNVDDQUNUJX-ZDUSSCGKSA-N -1 1 294.468 2.633 20 30 CFEDMM C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000530010879 394442897 /nfs/dbraw/zinc/44/28/97/394442897.db2.gz ZLACEGWMGHDXAR-SECBINFHSA-N -1 1 280.274 2.524 20 30 CFEDMM CC#CCN(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000647540615 395382980 /nfs/dbraw/zinc/38/29/80/395382980.db2.gz YYDKLANOQJMRNS-UHFFFAOYSA-N -1 1 271.238 2.506 20 30 CFEDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1C ZINC000344823426 162128124 /nfs/dbraw/zinc/12/81/24/162128124.db2.gz LMWKXZVYWXONTN-WOPDTQHZSA-N -1 1 296.392 2.502 20 30 CFEDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000007409066 170283350 /nfs/dbraw/zinc/28/33/50/170283350.db2.gz XPQNYDZCJDELBL-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM N#CC1(CSc2nc(C(F)F)cc(=O)[n-]2)CC1 ZINC000351288986 227752418 /nfs/dbraw/zinc/75/24/18/227752418.db2.gz MSSMVEFJBJUPFZ-UHFFFAOYSA-N -1 1 257.265 2.516 20 30 CFEDMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCOCC1 ZINC000330222480 228071486 /nfs/dbraw/zinc/07/14/86/228071486.db2.gz MLNWPAFBNIPFCS-VIFPVBQESA-N -1 1 253.273 2.936 20 30 CFEDMM CCc1cc(=O)[n-]c(SCCCC(C)(C)C#N)n1 ZINC000188113140 260071932 /nfs/dbraw/zinc/07/19/32/260071932.db2.gz BXCLOALPJZHWOJ-UHFFFAOYSA-N -1 1 265.382 2.754 20 30 CFEDMM CC(=O)c1cc(Cl)cc(CN(C)CCC#N)c1[O-] ZINC000050132684 260207007 /nfs/dbraw/zinc/20/70/07/260207007.db2.gz UJSMNZKNPHQZLT-UHFFFAOYSA-N -1 1 266.728 2.594 20 30 CFEDMM CC[C@@H](CC#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000183899068 261996658 /nfs/dbraw/zinc/99/66/58/261996658.db2.gz MNKZMXNTONZHEH-ZDUSSCGKSA-N -1 1 268.316 2.967 20 30 CFEDMM N#CC1(C(=O)Nc2nc(Cl)ccc2[O-])CCCCC1 ZINC000188372541 262154962 /nfs/dbraw/zinc/15/49/62/262154962.db2.gz GTKLLXGOJZPLBK-UHFFFAOYSA-N -1 1 279.727 2.853 20 30 CFEDMM C=CCOc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000111579341 262276883 /nfs/dbraw/zinc/27/68/83/262276883.db2.gz SAOLLPIBVFBUOT-UHFFFAOYSA-N -1 1 270.288 2.604 20 30 CFEDMM C[C@H](c1ccco1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188276628 262288445 /nfs/dbraw/zinc/28/84/45/262288445.db2.gz YFRXSZXZIQTEOB-SNVBAGLBSA-N -1 1 270.288 2.690 20 30 CFEDMM CCCN(CC#N)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271931621 263000449 /nfs/dbraw/zinc/00/04/49/263000449.db2.gz LHBFTXJBWVJWBB-UHFFFAOYSA-N -1 1 286.253 2.787 20 30 CFEDMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CC[C@H](C#N)C1 ZINC000278759494 263050796 /nfs/dbraw/zinc/05/07/96/263050796.db2.gz XTDDAXYBMSUVTB-VHSXEESVSA-N -1 1 288.376 2.521 20 30 CFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)C#N ZINC000330820391 264046965 /nfs/dbraw/zinc/04/69/65/264046965.db2.gz OTEGSFBUTJEPKF-UHFFFAOYSA-N -1 1 290.367 2.643 20 30 CFEDMM Cc1cnc(C(=O)N[C@@H](C#N)C2CCCCC2)c([O-])c1 ZINC000330884301 264062660 /nfs/dbraw/zinc/06/26/60/264062660.db2.gz PMFKBIMUTZUTEF-LBPRGKRZSA-N -1 1 273.336 2.873 20 30 CFEDMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1c([O-])cccc1F ZINC000331220760 264166353 /nfs/dbraw/zinc/16/63/53/264166353.db2.gz AIDVQYAIAIVAFH-BXKDBHETSA-N -1 1 267.300 2.651 20 30 CFEDMM O=C(NC1(CCO)CCCCC1)c1c([O-])cccc1F ZINC000331237595 264175321 /nfs/dbraw/zinc/17/53/21/264175321.db2.gz MNWFLAPAXBWKDR-UHFFFAOYSA-N -1 1 281.327 2.921 20 30 CFEDMM CC(C)(CO)C(C)(C)NC(=O)c1ccc([O-])cc1F ZINC000331247356 264179286 /nfs/dbraw/zinc/17/92/86/264179286.db2.gz VTJUZKPASKAFSB-UHFFFAOYSA-N -1 1 269.316 2.633 20 30 CFEDMM N#CCCN(Cc1ccco1)C(=O)c1cc(F)ccc1[O-] ZINC000094074064 265214236 /nfs/dbraw/zinc/21/42/36/265214236.db2.gz SZTLDCWWAMVDCC-UHFFFAOYSA-N -1 1 288.278 2.680 20 30 CFEDMM N#Cc1ccc(C(=O)NCCCc2cccs2)cc1[O-] ZINC000526944085 268198435 /nfs/dbraw/zinc/19/84/35/268198435.db2.gz ZVNIVUCKJHOZPR-UHFFFAOYSA-N -1 1 286.356 2.688 20 30 CFEDMM CC1(C)CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000442923987 278228085 /nfs/dbraw/zinc/22/80/85/278228085.db2.gz JOORSFNPOMGLAV-CYBMUJFWSA-N -1 1 272.348 2.962 20 30 CFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000076935515 280522046 /nfs/dbraw/zinc/52/20/46/280522046.db2.gz GKUMFOFGVLSNQH-UHFFFAOYSA-N -1 1 297.339 2.539 20 30 CFEDMM N#Cc1cc(C(=O)Nc2ncccc2[O-])ccc1Cl ZINC000539788782 281574172 /nfs/dbraw/zinc/57/41/72/281574172.db2.gz PLUVJYNNFMNJEZ-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM CCCc1cc(=O)[n-]c(S[C@H]2CC[C@H](C#N)C2)n1 ZINC000278622067 328228755 /nfs/dbraw/zinc/22/87/55/328228755.db2.gz SPYZJDYWCYPFMD-ONGXEEELSA-N -1 1 263.366 2.919 20 30 CFEDMM CN(CC1CCCCC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188262198 324011994 /nfs/dbraw/zinc/01/19/94/324011994.db2.gz CWMAYVRKJZBDAI-UHFFFAOYSA-N -1 1 272.348 2.916 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1[O-] ZINC000188566189 324017777 /nfs/dbraw/zinc/01/77/77/324017777.db2.gz VZXYHHAQGIMSFD-SMDDNHRTSA-N -1 1 270.332 2.669 20 30 CFEDMM CCc1ccc(C(=O)Nc2cc(CC#N)ccn2)c([O-])c1 ZINC000527051012 328823106 /nfs/dbraw/zinc/82/31/06/328823106.db2.gz XAUNQQYWIZQTKN-UHFFFAOYSA-N -1 1 281.315 2.668 20 30 CFEDMM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000050391574 329647076 /nfs/dbraw/zinc/64/70/76/329647076.db2.gz BVKGRLGEXPIITJ-RXMQYKEDSA-N -1 1 299.204 2.635 20 30 CFEDMM N#C[C@@H]1CC[C@H](Sc2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000450834524 331001841 /nfs/dbraw/zinc/00/18/41/331001841.db2.gz DFGHUEDPUVPHFE-RQJHMYQMSA-N -1 1 289.282 2.985 20 30 CFEDMM C=CCCC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000195081789 331137637 /nfs/dbraw/zinc/13/76/37/331137637.db2.gz PXBCWKSOMGBJQC-UHFFFAOYSA-N -1 1 264.350 2.687 20 30 CFEDMM C=CC(C)(C)CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000456121622 331184924 /nfs/dbraw/zinc/18/49/24/331184924.db2.gz XSWCJPLAQFOTJB-UHFFFAOYSA-N -1 1 291.395 2.730 20 30 CFEDMM C#CCN(C(=O)c1cc(F)ccc1[O-])C1CCCCC1 ZINC000490914335 332128608 /nfs/dbraw/zinc/12/86/08/332128608.db2.gz HOKJEKLGAKLTSP-UHFFFAOYSA-N -1 1 275.323 2.939 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1cc(Cl)cc(C)c1OC ZINC000530146406 333525579 /nfs/dbraw/zinc/52/55/79/333525579.db2.gz HICHBEVEABDWQG-UHFFFAOYSA-N -1 1 289.784 2.975 20 30 CFEDMM CC(C)C(=NNc1cnnc([O-])c1Cl)C1CC1 ZINC000750931920 574363539 /nfs/dbraw/zinc/36/35/39/574363539.db2.gz DOJFUCYHAUSKKH-UHFFFAOYSA-N -1 1 254.721 2.670 20 30 CFEDMM CC1(CC(F)(F)F)CN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000335172183 520697119 /nfs/dbraw/zinc/69/71/19/520697119.db2.gz NAORWRNZRGMVQN-UHFFFAOYSA-N -1 1 298.264 2.678 20 30 CFEDMM CCC1(CC)CN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000334184304 521689526 /nfs/dbraw/zinc/68/95/26/521689526.db2.gz DOVFQVLHAFZIGL-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000334091204 523058911 /nfs/dbraw/zinc/05/89/11/523058911.db2.gz BDOLYJLMJNQLPB-SMDDNHRTSA-N -1 1 272.348 2.962 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CSc3ccccc32)cc1[O-] ZINC000336447802 526599139 /nfs/dbraw/zinc/59/91/39/526599139.db2.gz SLGSAWKJNAFKSY-CYBMUJFWSA-N -1 1 296.351 2.841 20 30 CFEDMM N#Cc1csc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000335035561 526781697 /nfs/dbraw/zinc/78/16/97/526781697.db2.gz LWKGSYQXUHQXBC-UHFFFAOYSA-N -1 1 262.265 2.717 20 30 CFEDMM C=CCC[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000756387831 574099779 /nfs/dbraw/zinc/09/97/79/574099779.db2.gz MQXFODRNTUVWTM-CYBMUJFWSA-N -1 1 259.305 2.942 20 30 CFEDMM CC(=NN=C(C)c1ccc(F)cc1[O-])c1cnccn1 ZINC000745201954 574106637 /nfs/dbraw/zinc/10/66/37/574106637.db2.gz OVUSPDFKXGADGI-UHFFFAOYSA-N -1 1 272.283 2.555 20 30 CFEDMM CCc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)s1 ZINC000731155668 574111450 /nfs/dbraw/zinc/11/14/50/574111450.db2.gz OLSLELRINNDOJQ-LMVHVUTASA-N -1 1 290.340 2.539 20 30 CFEDMM CCCCCNC(=S)NN=Cc1cccc(F)c1[O-] ZINC000755587767 574169377 /nfs/dbraw/zinc/16/93/77/574169377.db2.gz XOADLSGSMACRJD-UHFFFAOYSA-N -1 1 283.372 2.520 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc([C@H]3C[C@@H]3C)o2)n1 ZINC000732763532 574170243 /nfs/dbraw/zinc/17/02/43/574170243.db2.gz ZRKMIFNVTCMMJI-KWQFWETISA-N -1 1 272.308 2.653 20 30 CFEDMM N#Cc1ccc(CNN=Cc2cccc(F)c2[O-])cc1 ZINC000755800790 574188153 /nfs/dbraw/zinc/18/81/53/574188153.db2.gz BFPAXESZGOZEMB-UHFFFAOYSA-N -1 1 269.279 2.527 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(C#N)cc1 ZINC000756898956 574271497 /nfs/dbraw/zinc/27/14/97/574271497.db2.gz JGBVQLZHSALAGQ-UHFFFAOYSA-N -1 1 295.298 2.711 20 30 CFEDMM C=C(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000736095036 574350877 /nfs/dbraw/zinc/35/08/77/574350877.db2.gz FVTNWFHKFZHEJR-UHFFFAOYSA-N -1 1 269.728 2.508 20 30 CFEDMM C=C(C)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736095036 574350879 /nfs/dbraw/zinc/35/08/79/574350879.db2.gz FVTNWFHKFZHEJR-UHFFFAOYSA-N -1 1 269.728 2.508 20 30 CFEDMM C=C(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736095036 574350881 /nfs/dbraw/zinc/35/08/81/574350881.db2.gz FVTNWFHKFZHEJR-UHFFFAOYSA-N -1 1 269.728 2.508 20 30 CFEDMM CC(=NNC(=S)N[C@@H](C)C1CC1)c1ccc(F)cc1[O-] ZINC000751529533 574378415 /nfs/dbraw/zinc/37/84/15/574378415.db2.gz BCZZVJFNZXMOMH-QMMMGPOBSA-N -1 1 295.383 2.518 20 30 CFEDMM C[C@@H](NC(=S)NN=Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000751529412 574378445 /nfs/dbraw/zinc/37/84/45/574378445.db2.gz ADLXYJPJYMTXRZ-MRVPVSSYSA-N -1 1 297.811 2.642 20 30 CFEDMM [O-]c1c(Cl)cccc1CN=Nc1cncc(Cl)n1 ZINC000753162127 574399588 /nfs/dbraw/zinc/39/95/88/574399588.db2.gz IKBWQGHOOAEKDC-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM C=CCN(C/C=C(/C)C(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000825682355 601159487 /nfs/dbraw/zinc/15/94/87/601159487.db2.gz XYNGBJHHBGGTCR-GHXNOFRVSA-N -1 1 290.319 2.614 20 30 CFEDMM COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c(O)c1 ZINC000832157748 601825752 /nfs/dbraw/zinc/82/57/52/601825752.db2.gz UJKIBXARXHJCFF-UTCJRWHESA-N -1 1 288.255 2.588 20 30 CFEDMM CC(C)[C@H](CCN(C)Cc1ccccc1C#N)NC(=O)[O-] ZINC000824104320 603823454 /nfs/dbraw/zinc/82/34/54/603823454.db2.gz DXLCNBCAYBUMAF-HNNXBMFYSA-N -1 1 289.379 2.672 20 30 CFEDMM C=C(Br)CN[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000833366660 604947210 /nfs/dbraw/zinc/94/72/10/604947210.db2.gz BFVHJVIPJBJUMC-ZDUSSCGKSA-N -1 1 298.180 2.875 20 30 CFEDMM C#CCOc1ccccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000817675357 605095305 /nfs/dbraw/zinc/09/53/05/605095305.db2.gz RQTXMLHYDBQSCB-UHFFFAOYSA-N -1 1 295.338 2.687 20 30 CFEDMM C#CCN(Cc1ccc(C(=O)[O-])[nH]1)[C@@H]1CCc2ccccc21 ZINC000833364208 605099117 /nfs/dbraw/zinc/09/91/17/605099117.db2.gz HGHHANXCNUQMRX-QGZVFWFLSA-N -1 1 294.354 2.836 20 30 CFEDMM CCc1ccccc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821495999 606370388 /nfs/dbraw/zinc/37/03/88/606370388.db2.gz AHVKXWOEFRFONI-UHFFFAOYSA-N -1 1 298.375 2.937 20 30 CFEDMM CC[C@@](C)(C#N)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759518 617837675 /nfs/dbraw/zinc/83/76/75/617837675.db2.gz MHSJVOUUEDPDPK-ZDUSSCGKSA-N -1 1 266.728 2.602 20 30 CFEDMM C#C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000890648419 617733418 /nfs/dbraw/zinc/73/34/18/617733418.db2.gz ZRNAKPJWDPXLCD-LLVKDONJSA-N -1 1 263.724 2.674 20 30 CFEDMM C#C[C@@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000890651797 617737286 /nfs/dbraw/zinc/73/72/86/617737286.db2.gz XCYUQAQGORTWAT-SNVBAGLBSA-N -1 1 263.724 2.674 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C)c(C)c2)c(=O)o1 ZINC000255060975 617938242 /nfs/dbraw/zinc/93/82/42/617938242.db2.gz PLZWLOXSDUGCBG-MWWKQMNYSA-N -1 1 284.311 2.532 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NO[C@H]1CCCCO1 ZINC000901206893 620764986 /nfs/dbraw/zinc/76/49/86/620764986.db2.gz ZSSNBFKDIIGBLR-LBPRGKRZSA-N -1 1 253.273 2.717 20 30 CFEDMM O=C(/C=C\c1cccc2c1OCCO2)c1cc(O)ccc1[O-] ZINC000255733137 618272782 /nfs/dbraw/zinc/27/27/82/618272782.db2.gz NNLDJCHFPOPIOB-XQRVVYSFSA-N -1 1 298.294 2.765 20 30 CFEDMM CC[C@@H]1CC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)O1 ZINC000901372862 620797691 /nfs/dbraw/zinc/79/76/91/620797691.db2.gz OKFAWRIUVOUBSV-CHWSQXEVSA-N -1 1 267.300 2.501 20 30 CFEDMM O=C(COc1ccc(F)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901376818 620798493 /nfs/dbraw/zinc/79/84/93/620798493.db2.gz YLKCKRNVJQHOIG-UHFFFAOYSA-N -1 1 293.269 2.762 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cs2)c(=O)o1 ZINC000195333102 618949989 /nfs/dbraw/zinc/94/99/89/618949989.db2.gz HINUXYOBBWKSNM-QAVQXKDTSA-N -1 1 296.731 2.630 20 30 CFEDMM [O-]c1cccc(CN=Nc2ccc(Cl)nn2)c1Cl ZINC000814698299 619256811 /nfs/dbraw/zinc/25/68/11/619256811.db2.gz YLZIIHZMNIUCDC-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM C#CCCCCNC(=O)c1ccc(Br)cc1[O-] ZINC000163146067 619485781 /nfs/dbraw/zinc/48/57/81/619485781.db2.gz IJULYRYYFWCHBJ-UHFFFAOYSA-N -1 1 296.164 2.688 20 30 CFEDMM C#C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C(C)C ZINC000894931592 619513571 /nfs/dbraw/zinc/51/35/71/619513571.db2.gz BHEPWVRKWZYNNT-LBPRGKRZSA-N -1 1 280.755 2.503 20 30 CFEDMM O=C(/C=C/c1cccc2nccn21)c1ccc([O-])cc1 ZINC000178940888 619535597 /nfs/dbraw/zinc/53/55/97/619535597.db2.gz VDLURMMLGUFDMP-RMKNXTFCSA-N -1 1 264.284 2.936 20 30 CFEDMM C#CCc1c(C)[n-]n(Cc2cccc(Cl)c2)c1=O ZINC000899351080 620550806 /nfs/dbraw/zinc/55/08/06/620550806.db2.gz YVCQMTCCZGMSDU-ZDUSSCGKSA-N -1 1 260.724 2.698 20 30 CFEDMM Cc1ccc([O-])c(C(=O)/C=C\c2c3c(nn2C)CCC3)c1 ZINC000899363448 620551101 /nfs/dbraw/zinc/55/11/01/620551101.db2.gz MYPGTJAFNKNVEJ-CLFYSBASSA-N -1 1 282.343 2.819 20 30 CFEDMM CCn1cc(/C=C\C(=O)c2c(C)cc(C)cc2[O-])nn1 ZINC000899371097 620556055 /nfs/dbraw/zinc/55/60/55/620556055.db2.gz NEYWFGFKRLZSCB-WAYWQWQTSA-N -1 1 271.320 2.517 20 30 CFEDMM CC(C)(C)n1cc(/C=C/C(=O)c2cc([O-])cc(F)c2)nn1 ZINC000899411573 620565185 /nfs/dbraw/zinc/56/51/85/620565185.db2.gz BZEOKDJSRHLZLF-SNAWJCMRSA-N -1 1 289.310 2.774 20 30 CFEDMM C[C@@H](N[C@H](c1ncccn1)C1CC1)c1cccc(C#N)c1[O-] ZINC000903323476 621323397 /nfs/dbraw/zinc/32/33/97/621323397.db2.gz NIINZAWZKBFDFP-ABAIWWIYSA-N -1 1 294.358 2.856 20 30 CFEDMM CO[C@@H](CC(C)C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177301 621543227 /nfs/dbraw/zinc/54/32/27/621543227.db2.gz AKFSFEYMLDNHIX-ZDUSSCGKSA-N -1 1 269.316 2.605 20 30 CFEDMM CO[C@H](C(=O)N([O-])Cc1ccccc1Cl)C(C)C ZINC000904189949 621545908 /nfs/dbraw/zinc/54/59/08/621545908.db2.gz DENCPHJZOBUMMA-LBPRGKRZSA-N -1 1 271.744 2.729 20 30 CFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(C3CCCCC3)CC2)o1 ZINC000908469186 622233505 /nfs/dbraw/zinc/23/35/05/622233505.db2.gz LTKILKCVXQDUEK-UHFFFAOYSA-N -1 1 294.376 2.542 20 30 CFEDMM C#CCC(C)(C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910981837 622494717 /nfs/dbraw/zinc/49/47/17/622494717.db2.gz GLPVIIPOEPRYOM-UHFFFAOYSA-N -1 1 253.248 2.658 20 30 CFEDMM C[Si](C)(C)C#CCCNC(=O)c1c([O-])cccc1F ZINC000912329780 622681542 /nfs/dbraw/zinc/68/15/42/622681542.db2.gz VDGPWFFNYCALSO-UHFFFAOYSA-N -1 1 279.387 2.532 20 30 CFEDMM C=C(Cl)COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000913299198 622870427 /nfs/dbraw/zinc/87/04/27/622870427.db2.gz HUMDDQICWLKSQY-UHFFFAOYSA-N -1 1 252.657 2.579 20 30 CFEDMM N#Cc1ccccc1COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000913299241 622871033 /nfs/dbraw/zinc/87/10/33/622871033.db2.gz WQLAICNKRAMJDS-UHFFFAOYSA-N -1 1 293.282 2.898 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2cnc3ccccn23)c1 ZINC000156686931 622954386 /nfs/dbraw/zinc/95/43/86/622954386.db2.gz VOQQEHGQHIDXRT-FNORWQNLSA-N -1 1 294.310 2.945 20 30 CFEDMM C[C@H](CC#N)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824713280 623549735 /nfs/dbraw/zinc/54/97/35/623549735.db2.gz DWXPHKNJSJCBHE-SECBINFHSA-N -1 1 283.169 2.889 20 30 CFEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc2c(c1)CCO2 ZINC000915932445 624188273 /nfs/dbraw/zinc/18/82/73/624188273.db2.gz RQDNDYQTWDHTCA-UHFFFAOYSA-N -1 1 298.346 2.652 20 30 CFEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1cccc(O)c1 ZINC000916240373 624230061 /nfs/dbraw/zinc/23/00/61/624230061.db2.gz AJBDKSWOBFKHAF-UHFFFAOYSA-N -1 1 270.288 2.927 20 30 CFEDMM Cc1nc(SCC2(C#N)CCCC2)[n-]c(=O)c1C ZINC000917419920 624341757 /nfs/dbraw/zinc/34/17/57/624341757.db2.gz ZGBKZNXHBBZFTP-UHFFFAOYSA-N -1 1 263.366 2.975 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1nc2ccccc2s1 ZINC000917562993 624356391 /nfs/dbraw/zinc/35/63/91/624356391.db2.gz CVJDPQXWVVIWKG-UHFFFAOYSA-N -1 1 299.359 2.936 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C1/COc2ccc(F)cc21 ZINC000918155081 624423596 /nfs/dbraw/zinc/42/35/96/624423596.db2.gz DIHJBWDUWKYFSX-VBKFSLOCSA-N -1 1 284.242 2.910 20 30 CFEDMM CC(C)[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000920865080 624777268 /nfs/dbraw/zinc/77/72/68/624777268.db2.gz ZCGXFYXIJDVXKP-ZDUSSCGKSA-N -1 1 284.281 2.972 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000921377924 624863114 /nfs/dbraw/zinc/86/31/14/624863114.db2.gz KBUVTEPDNSVEJB-TUKIKUTGSA-N -1 1 270.332 2.572 20 30 CFEDMM C#C[C@H](CCC)NC(=O)c1ccc(Br)cc1[O-] ZINC000233358010 624940467 /nfs/dbraw/zinc/94/04/67/624940467.db2.gz DPZGURVIDXKBHO-SNVBAGLBSA-N -1 1 296.164 2.686 20 30 CFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000831299228 624985775 /nfs/dbraw/zinc/98/57/75/624985775.db2.gz NOTYDWISRWAHNM-LBPRGKRZSA-N -1 1 295.335 2.652 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccc2c(c1)OCCO2 ZINC000187220208 626480821 /nfs/dbraw/zinc/48/08/21/626480821.db2.gz YXJXEUAANRILRH-NTUHNPAUSA-N -1 1 294.306 2.986 20 30 CFEDMM Cc1ccc([O-])c(C(=O)/C=C/c2ccc3c(c2)nnn3C)c1 ZINC000757467513 626552882 /nfs/dbraw/zinc/55/28/82/626552882.db2.gz FFZSFYGBZRZNMC-VMPITWQZSA-N -1 1 293.326 2.878 20 30 CFEDMM Cc1n[nH]c(C)c1/C=C\C(=O)c1cc(C)ccc1[O-] ZINC000757469032 626552938 /nfs/dbraw/zinc/55/29/38/626552938.db2.gz YNDPAJNOGZHBMD-ALCCZGGFSA-N -1 1 256.305 2.937 20 30 CFEDMM Cc1nn(C)c(Cl)c1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000757467255 626552997 /nfs/dbraw/zinc/55/29/97/626552997.db2.gz CHNOLXDTPLIGHP-GQCTYLIASA-N -1 1 292.722 2.689 20 30 CFEDMM Cn1cnc2cc(/C=C\C(=O)c3cc(O)ccc3[O-])ccc21 ZINC000761205560 626815578 /nfs/dbraw/zinc/81/55/78/626815578.db2.gz OOCCLANKIRWQNX-UTCJRWHESA-N -1 1 294.310 2.881 20 30 CFEDMM Cn1cnc2cc(/C=C/C(=O)c3cc(O)ccc3[O-])ccc21 ZINC000761205563 626815720 /nfs/dbraw/zinc/81/57/20/626815720.db2.gz OOCCLANKIRWQNX-ZZXKWVIFSA-N -1 1 294.310 2.881 20 30 CFEDMM CCCCCCCCCC=Nn1c(=O)cn[n-]c1=S ZINC000766475752 627205279 /nfs/dbraw/zinc/20/52/79/627205279.db2.gz YSCSCJNRKINCJT-UHFFFAOYSA-N -1 1 282.413 2.902 20 30 CFEDMM COC(=O)c1coc(C(=O)/C=C/c2ccc([O-])c(F)c2)c1 ZINC000766501329 627206417 /nfs/dbraw/zinc/20/64/17/627206417.db2.gz FLXSTQPPTRUFHJ-HWKANZROSA-N -1 1 290.246 2.807 20 30 CFEDMM CC(N=Nc1ncc(F)cn1)c1ccc([O-])c(Cl)c1 ZINC000768783295 627372946 /nfs/dbraw/zinc/37/29/46/627372946.db2.gz ADUFNXZOYCETOV-UHFFFAOYSA-N -1 1 280.690 2.811 20 30 CFEDMM N#Cc1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769044535 627398446 /nfs/dbraw/zinc/39/84/46/627398446.db2.gz ASKLYCBZPJPVJE-UHFFFAOYSA-N -1 1 298.254 2.529 20 30 CFEDMM CCCCCCC(C)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769817266 627477861 /nfs/dbraw/zinc/47/78/61/627477861.db2.gz KZXWRWWLBSZBRY-UHFFFAOYSA-N -1 1 290.371 2.827 20 30 CFEDMM CC(=NNCC(F)(F)F)c1ccc([O-])c(Cl)c1 ZINC000769823929 627479141 /nfs/dbraw/zinc/47/91/41/627479141.db2.gz BYUMZMHQAPZNEM-UHFFFAOYSA-N -1 1 266.650 2.922 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cscc2Cl)c(=O)o1 ZINC000771845247 627636524 /nfs/dbraw/zinc/63/65/24/627636524.db2.gz JSXPSJSUTGABHE-DLGQBQFBSA-N -1 1 296.731 2.630 20 30 CFEDMM O=C([O-])c1ccc2c(C=NOC3CCCC3)n[nH]c2c1 ZINC000774596320 627940481 /nfs/dbraw/zinc/94/04/81/627940481.db2.gz CLFRUAOWLNZBHI-UHFFFAOYSA-N -1 1 273.292 2.554 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Cl)nc2)c1 ZINC000776614933 628164780 /nfs/dbraw/zinc/16/47/80/628164780.db2.gz SERDFCALMWJPAC-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM C=CC[C@@H](NC(=O)c1ncc(C)cc1[O-])c1ccncc1 ZINC000778838334 628335670 /nfs/dbraw/zinc/33/56/70/628335670.db2.gz XEDYAVJVJGECSF-CYBMUJFWSA-N -1 1 283.331 2.538 20 30 CFEDMM CC1(C#N)CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000780779574 628496694 /nfs/dbraw/zinc/49/66/94/628496694.db2.gz NGLRRRQBIYWXMT-UHFFFAOYSA-N -1 1 278.739 2.811 20 30 CFEDMM CC(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccn1 ZINC000785409864 628880137 /nfs/dbraw/zinc/88/01/37/628880137.db2.gz SOQDJUKQLLQMMO-MRXNPFEDSA-N -1 1 295.342 2.786 20 30 CFEDMM CC(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccn1 ZINC000785409860 628880306 /nfs/dbraw/zinc/88/03/06/628880306.db2.gz SOQDJUKQLLQMMO-INIZCTEOSA-N -1 1 295.342 2.786 20 30 CFEDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@](F)(C#N)C2)c1[O-] ZINC000786437077 628956419 /nfs/dbraw/zinc/95/64/19/628956419.db2.gz OOWULWDMHRLGOJ-CQSZACIVSA-N -1 1 296.729 2.686 20 30 CFEDMM CC(=O)c1cc(Cl)cc(CN2CC[C@](F)(C#N)C2)c1[O-] ZINC000786437075 628956578 /nfs/dbraw/zinc/95/65/78/628956578.db2.gz OOWULWDMHRLGOJ-AWEZNQCLSA-N -1 1 296.729 2.686 20 30 CFEDMM Cc1cc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)n(C)n1 ZINC000789158127 629130067 /nfs/dbraw/zinc/13/00/67/629130067.db2.gz BKRYLLNOYLJZGV-GQCTYLIASA-N -1 1 276.723 2.984 20 30 CFEDMM CCc1cccc(F)c1C=NNc1ccc(C(=O)[O-])cn1 ZINC000794523521 629653825 /nfs/dbraw/zinc/65/38/25/629653825.db2.gz ILNFVEUIRLIGLF-UHFFFAOYSA-N -1 1 287.294 2.927 20 30 CFEDMM [O-]c1ccc(F)c(C=NOCc2cccnc2)c1F ZINC000794522770 629654036 /nfs/dbraw/zinc/65/40/36/629654036.db2.gz CEPFZOYBICNTJG-UHFFFAOYSA-N -1 1 264.231 2.616 20 30 CFEDMM Cc1cnn(C)c1/C=C\C(=O)c1cc(C)ccc1[O-] ZINC000794703252 629676617 /nfs/dbraw/zinc/67/66/17/629676617.db2.gz UEXOKPSPAJNQKW-ALCCZGGFSA-N -1 1 256.305 2.639 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2C[C@H](C)c3ccccc32)n1 ZINC000807940425 630924204 /nfs/dbraw/zinc/92/42/04/630924204.db2.gz KDWNOZUSRBOIJA-VIFPVBQESA-N -1 1 268.320 2.814 20 30 CFEDMM C=CCO[N-]C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000837049495 630945985 /nfs/dbraw/zinc/94/59/85/630945985.db2.gz IFHOUPZXGALEOL-GFCCVEGCSA-N -1 1 275.348 2.863 20 30 CFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000041661603 649992205 /nfs/dbraw/zinc/99/22/05/649992205.db2.gz GVPLEIGGYWOMCF-UHFFFAOYSA-N -1 1 289.331 2.916 20 30 CFEDMM C#Cc1ccccc1CC(=O)Nc1c([O-])cccc1F ZINC000810411102 631369027 /nfs/dbraw/zinc/36/90/27/631369027.db2.gz IKYPLSMECAXKPH-UHFFFAOYSA-N -1 1 269.275 2.694 20 30 CFEDMM CC(=NNC[C@@H]1CCSC1)c1cc(F)cc(F)c1[O-] ZINC000811658066 631597243 /nfs/dbraw/zinc/59/72/43/631597243.db2.gz GJGPGYQUQXORCU-VIFPVBQESA-N -1 1 286.347 2.737 20 30 CFEDMM C[C@H](COc1ccccc1)NN=Cc1cccc(F)c1[O-] ZINC000811666201 631601479 /nfs/dbraw/zinc/60/14/79/631601479.db2.gz AJJCCHWBMGHFOM-GFCCVEGCSA-N -1 1 288.322 2.922 20 30 CFEDMM C=CCCO[N-]C(=O)C1(Cc2ccccc2)CCOCC1 ZINC000856027548 635703414 /nfs/dbraw/zinc/70/34/14/635703414.db2.gz QJMPGHYLOQEJRS-UHFFFAOYSA-N -1 1 289.375 2.650 20 30 CFEDMM Cc1cc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)nc(C)n1 ZINC000814807009 632129079 /nfs/dbraw/zinc/12/90/79/632129079.db2.gz BBTYJXCYQPNCDA-UHFFFAOYSA-N -1 1 298.346 2.854 20 30 CFEDMM N#Cc1c(=O)[n-]cc2c1CCCC2=NOC1CCCC1 ZINC000844588834 632255753 /nfs/dbraw/zinc/25/57/53/632255753.db2.gz CMSKANYBFZGTHX-UHFFFAOYSA-N -1 1 271.320 2.658 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1ccc(Br)s1 ZINC000846544599 632733058 /nfs/dbraw/zinc/73/30/58/632733058.db2.gz HYVBQSSXRHKASY-ZETCQYMHSA-N -1 1 290.182 2.675 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)C1(Cc2ccccc2F)CC1 ZINC000846555345 632742059 /nfs/dbraw/zinc/74/20/59/632742059.db2.gz QBHHJWWDKCRACE-NSHDSACASA-N -1 1 263.312 2.771 20 30 CFEDMM C=CCCCCCNC(=O)c1c([O-])c(O)ccc1F ZINC000848390606 633247494 /nfs/dbraw/zinc/24/74/94/633247494.db2.gz CCIMNHMCSSPHNE-UHFFFAOYSA-N -1 1 267.300 2.713 20 30 CFEDMM CC(=NNCCCn1ccnc1)c1ccc([O-])c(Cl)c1 ZINC000848417345 633254248 /nfs/dbraw/zinc/25/42/48/633254248.db2.gz WBMVTWQCFBMGKZ-UHFFFAOYSA-N -1 1 292.770 2.646 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2cc3n(n2)CCCC3)c1 ZINC000848641072 633307030 /nfs/dbraw/zinc/30/70/30/633307030.db2.gz ZKVVGLVDMOXSJU-ALCCZGGFSA-N -1 1 298.342 2.830 20 30 CFEDMM C[C@@H]1C[N@@H+](CC/N=C/c2cc(Cl)ccc2O)[C@@H](C)CO1 ZINC000849170434 633577890 /nfs/dbraw/zinc/57/78/90/633577890.db2.gz PAIYDRHWCLETAK-UFEKZKASSA-N -1 1 296.798 2.574 20 30 CFEDMM O=C(/C=C\c1ccnn1CC1CC1)c1ccc([O-])cc1 ZINC000849240109 633587960 /nfs/dbraw/zinc/58/79/60/633587960.db2.gz FPYMJOHQTDQSJI-YVMONPNESA-N -1 1 268.316 2.895 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccnn2CC2CC2)c1 ZINC000849245611 633589284 /nfs/dbraw/zinc/58/92/84/633589284.db2.gz ARAOIHWYSCNTCA-XQRVVYSFSA-N -1 1 298.342 2.903 20 30 CFEDMM COc1c([O-])c(C=NN2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000853380461 634988369 /nfs/dbraw/zinc/98/83/69/634988369.db2.gz UGBWZVZYGRTKEV-JTQLQIEISA-N -1 1 293.323 2.517 20 30 CFEDMM C[C@@H](CC#N)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680495 635312345 /nfs/dbraw/zinc/31/23/45/635312345.db2.gz RZCFOHSQLPRMSG-LURJTMIESA-N -1 1 256.664 2.673 20 30 CFEDMM C#C[C@](C)(CC)NC(=O)c1c([O-])cccc1Cl ZINC000854700795 635373127 /nfs/dbraw/zinc/37/31/27/635373127.db2.gz YHUCHHJWEDAKHK-CYBMUJFWSA-N -1 1 251.713 2.577 20 30 CFEDMM C#C[C@](C)(CC)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000854703280 635375715 /nfs/dbraw/zinc/37/57/15/635375715.db2.gz QDWCJZXOXTUAGK-CQSZACIVSA-N -1 1 281.739 2.586 20 30 CFEDMM CC(C)CCc1nnc([N-]C(=O)c2ccc(C#N)o2)s1 ZINC000855191292 635482537 /nfs/dbraw/zinc/48/25/37/635482537.db2.gz XYFXSWKRHIZCOY-UHFFFAOYSA-N -1 1 290.348 2.844 20 30 CFEDMM N#CC[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000855253986 635493943 /nfs/dbraw/zinc/49/39/43/635493943.db2.gz BJXLVKUQAQPIPC-JTQLQIEISA-N -1 1 278.739 2.811 20 30 CFEDMM C=CCCO[N-]C(=O)[C@H]1CCCc2ccc(OC)cc21 ZINC000856028484 635704103 /nfs/dbraw/zinc/70/41/03/635704103.db2.gz UPIQMNGCQHKLFL-AWEZNQCLSA-N -1 1 275.348 2.739 20 30 CFEDMM C#C[C@@H](C)[N@H+](C)Cc1c(O)cccc1Br ZINC000862349195 637325869 /nfs/dbraw/zinc/32/58/69/637325869.db2.gz SGFCMCAXZFWLGS-SECBINFHSA-N -1 1 268.154 2.608 20 30 CFEDMM CCCCCC(=CN=NC1=NCC(=O)[N-]1)Cc1ccccc1 ZINC000863174105 637578471 /nfs/dbraw/zinc/57/84/71/637578471.db2.gz FTYWVHIWJKYABV-ZJYHORCRSA-N -1 1 298.390 2.712 20 30 CFEDMM [O-]c1c(F)cccc1C=NNCC(F)(F)C(F)(F)F ZINC000863181271 637580796 /nfs/dbraw/zinc/58/07/96/637580796.db2.gz LWPYPSCGCDSMGB-UHFFFAOYSA-N -1 1 286.175 2.652 20 30 CFEDMM CCCCCCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000863493282 637679112 /nfs/dbraw/zinc/67/91/12/637679112.db2.gz DBRVQBMHLFHWQX-UHFFFAOYSA-N -1 1 287.363 2.623 20 30 CFEDMM CCc1nn(C)cc1N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866325283 638797315 /nfs/dbraw/zinc/79/73/15/638797315.db2.gz IRBFUPMKIBOOJE-JTQLQIEISA-N -1 1 270.336 2.733 20 30 CFEDMM CCn1cc(N[C@@H](C)c2cccc(C#N)c2[O-])cn1 ZINC000866325563 638797483 /nfs/dbraw/zinc/79/74/83/638797483.db2.gz LJXQDAGLSSOTQM-JTQLQIEISA-N -1 1 256.309 2.653 20 30 CFEDMM C[C@H](Nc1cnn(CCF)c1)c1cccc(C#N)c1[O-] ZINC000866396999 638814021 /nfs/dbraw/zinc/81/40/21/638814021.db2.gz DVHCDSZOGWIBLV-JTQLQIEISA-N -1 1 274.299 2.603 20 30 CFEDMM C=C1CC(C)(C(=O)[N-]OCc2ccccc2OC)C1 ZINC000868042158 638917860 /nfs/dbraw/zinc/91/78/60/638917860.db2.gz LIOCXOUGHGSPPA-UHFFFAOYSA-N -1 1 261.321 2.599 20 30 CFEDMM C#C[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000868371446 638941142 /nfs/dbraw/zinc/94/11/42/638941142.db2.gz VAADYLRXOBIESR-ZDUSSCGKSA-N -1 1 279.767 2.752 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2C[C@@H]2C2CCCC2)c1 ZINC000870690916 639773728 /nfs/dbraw/zinc/77/37/28/639773728.db2.gz WLOVUSLEHYRHSS-HUUCEWRRSA-N -1 1 270.332 2.795 20 30 CFEDMM C[C@H](CC(=O)[N-]Oc1cccc(C#N)c1)C(F)(F)F ZINC000870692077 639774776 /nfs/dbraw/zinc/77/47/76/639774776.db2.gz XUMVHOHEGFSRJS-MRVPVSSYSA-N -1 1 272.226 2.557 20 30 CFEDMM C=CCC1(C(=O)[N-]OCCCC(F)(F)F)CCOCC1 ZINC000871217104 641253429 /nfs/dbraw/zinc/25/34/29/641253429.db2.gz LEBJKLNRRQHPSY-UHFFFAOYSA-N -1 1 295.301 2.750 20 30 CFEDMM C=C[C@H](CCC(=O)[O-])NCc1c(F)cccc1OCC ZINC000871878628 641495059 /nfs/dbraw/zinc/49/50/59/641495059.db2.gz QIBKEQFNHNAEPU-LLVKDONJSA-N -1 1 281.327 2.733 20 30 CFEDMM C#C[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C(C)C ZINC000873000787 641981622 /nfs/dbraw/zinc/98/16/22/641981622.db2.gz YBPFHMRKFICCHL-GFCCVEGCSA-N -1 1 280.755 2.503 20 30 CFEDMM C#C[C@H]1CC[C@H](NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000874861647 642533275 /nfs/dbraw/zinc/53/32/75/642533275.db2.gz SMHWEUHZGCCZFS-XYPYZODXSA-N -1 1 277.751 2.967 20 30 CFEDMM CN(Cc1ccc(F)c(F)c1[O-])CC(C)(C)C#N ZINC000877548794 643349582 /nfs/dbraw/zinc/34/95/82/643349582.db2.gz BNMNBFZJZDUPJT-UHFFFAOYSA-N -1 1 254.280 2.652 20 30 CFEDMM CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CCC[C@@H]1C#N ZINC000879311695 644218931 /nfs/dbraw/zinc/21/89/31/644218931.db2.gz SUKLIBTXTNSRAN-IAQYHMDHSA-N -1 1 298.342 2.623 20 30 CFEDMM N#Cc1ccsc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000128012153 644433430 /nfs/dbraw/zinc/43/34/30/644433430.db2.gz NIOXBULTFKEPPH-UHFFFAOYSA-N -1 1 291.263 2.919 20 30 CFEDMM CCCCCCCC(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC000880652649 644797218 /nfs/dbraw/zinc/79/72/18/644797218.db2.gz KVJIOGVITNKTHL-UHFFFAOYSA-N -1 1 297.424 2.881 20 30 CFEDMM N#Cc1c(NCc2cc(F)cc(F)c2[O-])n[nH]c1C1CC1 ZINC000883143472 645623777 /nfs/dbraw/zinc/62/37/77/645623777.db2.gz LQTJEXREARYRHM-UHFFFAOYSA-N -1 1 290.273 2.755 20 30 CFEDMM C=CCCOCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674570 646735041 /nfs/dbraw/zinc/73/50/41/646735041.db2.gz QPTWSZJCRQNTOU-UHFFFAOYSA-N -1 1 273.691 2.716 20 30 CFEDMM C=C[C@@H](CC)CC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886271548 646944002 /nfs/dbraw/zinc/94/40/02/646944002.db2.gz MMZUDDKNKKBGKG-JTQLQIEISA-N -1 1 283.318 2.931 20 30 CFEDMM N#C[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000928229936 648880004 /nfs/dbraw/zinc/88/00/04/648880004.db2.gz WHVRMHOAGKAFDA-LBPRGKRZSA-N -1 1 280.327 2.921 20 30 CFEDMM N#CC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000928813306 648959037 /nfs/dbraw/zinc/95/90/37/648959037.db2.gz IRUUHOXSSGRRCE-SECBINFHSA-N -1 1 292.644 2.620 20 30 CFEDMM C=CCN(C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CC1 ZINC000932047420 649528763 /nfs/dbraw/zinc/52/87/63/649528763.db2.gz HHVRVZYNZLWHKK-UHFFFAOYSA-N -1 1 298.346 2.760 20 30 CFEDMM COC(=O)c1cc(C#N)cc(-c2cccc([O-])c2F)c1 ZINC001243546832 782270103 /nfs/dbraw/zinc/27/01/03/782270103.db2.gz JHWMTKRUSIUTOV-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM C[C@@H]1CC(=O)C=C(Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC001210775525 770365554 /nfs/dbraw/zinc/36/55/54/770365554.db2.gz GIMDNLNTQNQQBN-NSHDSACASA-N -1 1 283.331 2.873 20 30 CFEDMM C[C@H]1CC(=O)C=C(Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC001210775518 770366085 /nfs/dbraw/zinc/36/60/85/770366085.db2.gz GIMDNLNTQNQQBN-LLVKDONJSA-N -1 1 283.331 2.873 20 30 CFEDMM N#Cc1cc(Nc2ccccc2C(=O)[O-])c(O)cc1F ZINC001210968457 770406788 /nfs/dbraw/zinc/40/67/88/770406788.db2.gz HIKLVRRXBVSTOM-UHFFFAOYSA-N -1 1 272.235 2.845 20 30 CFEDMM COC(=O)c1ccc(Nc2ccc(F)c([O-])c2)c(C#N)c1 ZINC001211220723 770456227 /nfs/dbraw/zinc/45/62/27/770456227.db2.gz HHANIGFFVSAVJH-UHFFFAOYSA-N -1 1 286.262 2.933 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc(F)nc1 ZINC000588535140 770949540 /nfs/dbraw/zinc/94/95/40/770949540.db2.gz MDCFCLCPDPMGIH-WZUFQYTHSA-N -1 1 255.248 2.749 20 30 CFEDMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)C#C[Si](C)(C)C ZINC001225674916 775551721 /nfs/dbraw/zinc/55/17/21/775551721.db2.gz OBXSHVUCFPEPLQ-SNVBAGLBSA-N -1 1 292.407 2.949 20 30 CFEDMM C=CC[C@@H](CCCC)Oc1nc(=O)[n-]cc1C(=O)OCC ZINC001225900141 775628588 /nfs/dbraw/zinc/62/85/88/775628588.db2.gz AOBNJHDDJLYHPS-NSHDSACASA-N -1 1 294.351 2.873 20 30 CFEDMM Cc1cn2c(n1)[C@@H](Oc1cccc(/C=N/[O-])c1)CCC2 ZINC001226114448 775703612 /nfs/dbraw/zinc/70/36/12/775703612.db2.gz JUOJKQOATDJVLJ-FSEGOYHTSA-N -1 1 271.320 2.914 20 30 CFEDMM COc1cnc(=S)[n-]c1O[C@H](C#N)c1cccc(F)c1 ZINC001226247623 775753890 /nfs/dbraw/zinc/75/38/90/775753890.db2.gz YOHBNRLOUFZQPW-SNVBAGLBSA-N -1 1 291.307 2.557 20 30 CFEDMM C#C[C@@H]1CCC[C@H]1Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487135 775842860 /nfs/dbraw/zinc/84/28/60/775842860.db2.gz VJKHNYILUUGDKU-DGCLKSJQSA-N -1 1 284.311 2.988 20 30 CFEDMM CC#CC[C@H](CC)Oc1[n-]c(=O)ncc1Br ZINC001227136549 776111566 /nfs/dbraw/zinc/11/15/66/776111566.db2.gz AJIWSLYMAVMHGB-QMMMGPOBSA-N -1 1 285.141 2.516 20 30 CFEDMM C=C[C@@H](CCC)Oc1cc([O-])ccc1C(=O)COC ZINC001227171382 776122388 /nfs/dbraw/zinc/12/23/88/776122388.db2.gz COJJOIRFFUUILA-LBPRGKRZSA-N -1 1 264.321 2.955 20 30 CFEDMM N#C[C@H](Oc1[n-]c(=S)ncc1F)c1ccccc1 ZINC001227382563 776189425 /nfs/dbraw/zinc/18/94/25/776189425.db2.gz FMKMSTLURXMJSU-JTQLQIEISA-N -1 1 261.281 2.548 20 30 CFEDMM C[C@H](COC(C)(C)C)Oc1ccc([O-])c(C#N)c1C#N ZINC001227614809 776244710 /nfs/dbraw/zinc/24/47/10/776244710.db2.gz KYAUTELUGGYLQO-SNVBAGLBSA-N -1 1 274.320 2.718 20 30 CFEDMM COC(C)(C)C[C@@H](C)Oc1ccc([O-])c(C#N)c1C#N ZINC001227621370 776247084 /nfs/dbraw/zinc/24/70/84/776247084.db2.gz DEIOTZDXVCGGCC-SNVBAGLBSA-N -1 1 274.320 2.718 20 30 CFEDMM N#Cc1c([O-])ccc(O[C@@H]2C[C@H]3CC[C@@H]2C3)c1C#N ZINC001227619773 776247105 /nfs/dbraw/zinc/24/71/05/776247105.db2.gz VVQLCMOHVPTFTJ-FEUHOPSXSA-N -1 1 254.289 2.703 20 30 CFEDMM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)nc3c2COC3)C1 ZINC001227690787 776259424 /nfs/dbraw/zinc/25/94/24/776259424.db2.gz PGMFXWHVORQTOQ-FZMZJTMJSA-N -1 1 288.347 2.892 20 30 CFEDMM C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1ccccc1C#N ZINC001227716552 776268850 /nfs/dbraw/zinc/26/88/50/776268850.db2.gz RQWHMNVMFHUVSN-NXEZZACHSA-N -1 1 297.314 2.785 20 30 CFEDMM C[C@@H](Oc1cc([O-])ccc1C#N)c1ccncc1F ZINC001228006624 776360087 /nfs/dbraw/zinc/36/00/87/776360087.db2.gz GHLZPTBQSNWYSP-SECBINFHSA-N -1 1 258.252 2.938 20 30 CFEDMM N#Cc1ccc([O-])cc1O[C@@H](C#N)c1ccccc1 ZINC001228005990 776360506 /nfs/dbraw/zinc/36/05/06/776360506.db2.gz VSPDZFZEFHQUIS-HNNXBMFYSA-N -1 1 250.257 2.908 20 30 CFEDMM N#Cc1ccc([O-])cc1O[C@H]1CC(F)(F)C1(F)F ZINC001228008219 776361159 /nfs/dbraw/zinc/36/11/59/776361159.db2.gz WJETYXMOMMTHJS-VIFPVBQESA-N -1 1 261.174 2.686 20 30 CFEDMM C#C[C@H]1CCC[C@H]1Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228553756 776518755 /nfs/dbraw/zinc/51/87/55/776518755.db2.gz DIKXHKZPPLEINT-IINYFYTJSA-N -1 1 274.316 2.871 20 30 CFEDMM CC#C[C@@H](CC)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228556402 776519548 /nfs/dbraw/zinc/51/95/48/776519548.db2.gz OINZGVBREFARMX-LLVKDONJSA-N -1 1 262.305 2.871 20 30 CFEDMM C=CCOc1ccccc1[C@@H](C)Oc1cnnc(=S)[n-]1 ZINC001228641299 776549732 /nfs/dbraw/zinc/54/97/32/776549732.db2.gz CGOKZJKQWQQMNW-SNVBAGLBSA-N -1 1 289.360 2.865 20 30 CFEDMM C#C[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)c1ccncc1 ZINC001229132267 776728751 /nfs/dbraw/zinc/72/87/51/776728751.db2.gz RABIBEBVRADNDA-CQSZACIVSA-N -1 1 293.278 2.647 20 30 CFEDMM C#C[C@@H](CCC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229214832 776753761 /nfs/dbraw/zinc/75/37/61/776753761.db2.gz HQKZSRHUGMYWKY-NSHDSACASA-N -1 1 288.299 2.688 20 30 CFEDMM C=CC[C@@H](C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229217396 776753933 /nfs/dbraw/zinc/75/39/33/776753933.db2.gz BLFLQXSRBWBRIS-SECBINFHSA-N -1 1 276.288 2.851 20 30 CFEDMM CCOC(=O)[C@@H]1CC[C@@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229736401 776882809 /nfs/dbraw/zinc/88/28/09/776882809.db2.gz BGVBEFPUOWMAKV-MDDWGPDPSA-N -1 1 291.347 2.995 20 30 CFEDMM CCOC(=O)[C@@H](Oc1ccccc1/C(C)=N/[O-])C1CC1 ZINC001229739498 776883307 /nfs/dbraw/zinc/88/33/07/776883307.db2.gz XQFJYOHFSBUACP-KNGSKEOJSA-N -1 1 277.320 2.605 20 30 CFEDMM C/C(=N\[O-])c1ccccc1O[C@H](C)c1ncccn1 ZINC001229739095 776883851 /nfs/dbraw/zinc/88/38/51/776883851.db2.gz CBOVMXKVSGUYDP-JDAJCMJVSA-N -1 1 257.293 2.815 20 30 CFEDMM C#C[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccncc1 ZINC001229753365 776887812 /nfs/dbraw/zinc/88/78/12/776887812.db2.gz HJWLSSYFXRQBMD-CQSZACIVSA-N -1 1 284.271 2.757 20 30 CFEDMM C#C[C@@H](Oc1nc(C(=O)OC)c[n-]1)[C@@H](CC)CCCC ZINC001230280718 776971405 /nfs/dbraw/zinc/97/14/05/776971405.db2.gz ZPVXBEWVCLKAKF-WCQYABFASA-N -1 1 278.352 2.793 20 30 CFEDMM C=CC[C@H](CCCC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282262 776972102 /nfs/dbraw/zinc/97/21/02/776972102.db2.gz SVHFTXNYQVIFMN-SNVBAGLBSA-N -1 1 252.314 2.710 20 30 CFEDMM O=C(c1ccc([O-])cc1)c1ccccc1O[C@@H]1C=CC(=O)C1 ZINC001231231800 777175704 /nfs/dbraw/zinc/17/57/04/777175704.db2.gz XBHBFSABNXADPO-OAHLLOKOSA-N -1 1 294.306 2.900 20 30 CFEDMM COc1ccc(CN2CCC[C@H](C#N)CC2)cc1C(=O)[O-] ZINC001231753420 777325357 /nfs/dbraw/zinc/32/53/57/777325357.db2.gz GJDMOWGDOUQVIP-LBPRGKRZSA-N -1 1 288.347 2.519 20 30 CFEDMM N#CC[C@@H]1CCCN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233034336 777773287 /nfs/dbraw/zinc/77/32/87/777773287.db2.gz JNKBTOVEFQASRT-JTQLQIEISA-N -1 1 265.744 2.566 20 30 CFEDMM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC(F)(F)C1(F)F ZINC001233806403 778083336 /nfs/dbraw/zinc/08/33/36/778083336.db2.gz CAGPXOWLTGFTOD-OMEHRSSBSA-N -1 1 293.216 2.925 20 30 CFEDMM C=CCCCCCC[C@@H](C)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234472512 778232411 /nfs/dbraw/zinc/23/24/11/778232411.db2.gz SGDKUZIQCDSNQU-LLVKDONJSA-N -1 1 293.367 2.575 20 30 CFEDMM CC#CC[C@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234478328 778235165 /nfs/dbraw/zinc/23/51/65/778235165.db2.gz YIMXLBNMDGEBPZ-NSHDSACASA-N -1 1 262.305 2.871 20 30 CFEDMM CCOC(=O)[C@@H]1CCC[C@H]1Oc1ccccc1C=N[O-] ZINC001234822115 778303072 /nfs/dbraw/zinc/30/30/72/778303072.db2.gz KRCDYULKHGSFSR-TZMCWYRMSA-N -1 1 277.320 2.605 20 30 CFEDMM N#Cc1cccc(CC(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001142542846 778407637 /nfs/dbraw/zinc/40/76/37/778407637.db2.gz VXJPKEMJPVXUAI-UHFFFAOYSA-N -1 1 288.253 2.723 20 30 CFEDMM COc1cc([O-])c(CN2CCCC[C@H]2C#N)c(Cl)c1 ZINC001236804517 778945079 /nfs/dbraw/zinc/94/50/79/778945079.db2.gz VSSSXELNYRGFFD-JTQLQIEISA-N -1 1 280.755 2.932 20 30 CFEDMM O=C1c2ccc(O)cc2O/C1=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000176380311 779118751 /nfs/dbraw/zinc/11/87/51/779118751.db2.gz TZVLKCKUCXLRTG-NSIKDUERSA-N -1 1 299.238 2.622 20 30 CFEDMM CC1(C#N)CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935052 779211417 /nfs/dbraw/zinc/21/14/17/779211417.db2.gz PGIKYYIAQYVBQG-UHFFFAOYSA-N -1 1 254.692 2.530 20 30 CFEDMM N#CCCN(CCC#N)Cc1cc(F)c(Cl)cc1[O-] ZINC001237950363 779214365 /nfs/dbraw/zinc/21/43/65/779214365.db2.gz RVSPZDBZPMVHCI-UHFFFAOYSA-N -1 1 281.718 2.814 20 30 CFEDMM N#C[C@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237950518 779214711 /nfs/dbraw/zinc/21/47/11/779214711.db2.gz VVZYMEJKMKQLJC-SECBINFHSA-N -1 1 268.719 2.920 20 30 CFEDMM N#C[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237948433 779215134 /nfs/dbraw/zinc/21/51/34/779215134.db2.gz FEFJLLBQOPJAFI-QMMMGPOBSA-N -1 1 254.692 2.530 20 30 CFEDMM C#C[C@H](CCCC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234475279 779234240 /nfs/dbraw/zinc/23/42/40/779234240.db2.gz FNBFELLBKWGWII-LLVKDONJSA-N -1 1 262.305 2.871 20 30 CFEDMM Cn1ncc(C#N)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214480136 780316655 /nfs/dbraw/zinc/31/66/55/780316655.db2.gz LXEVIEAGMXUXJT-UHFFFAOYSA-N -1 1 266.663 2.533 20 30 CFEDMM [O-]/N=C/c1ccc(-c2cnc(C3CC3)nc2)cc1F ZINC001240687525 780360320 /nfs/dbraw/zinc/36/03/20/780360320.db2.gz YPGSTYIMSQNEPI-QGMBQPNBSA-N -1 1 257.268 2.968 20 30 CFEDMM COc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1CO ZINC001241930433 781187280 /nfs/dbraw/zinc/18/72/80/781187280.db2.gz UCQGUOPFBYOGIB-CAOOACKPSA-N -1 1 275.279 2.802 20 30 CFEDMM N#Cc1ncc(-c2cc(C(F)(F)F)ccc2[O-])cn1 ZINC001242137833 781295526 /nfs/dbraw/zinc/29/55/26/781295526.db2.gz KJELDQCSKFCDMD-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM N#CCc1cncc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242131713 781295707 /nfs/dbraw/zinc/29/57/07/781295707.db2.gz JLSCJNPMRSVEHB-UHFFFAOYSA-N -1 1 279.221 2.934 20 30 CFEDMM C#Cc1ccc(-c2ccc3[n-]c(C(=O)OC)nc3c2)cc1 ZINC001242295826 781375620 /nfs/dbraw/zinc/37/56/20/781375620.db2.gz UNSVFBAEGYCXIC-UHFFFAOYSA-N -1 1 276.295 2.998 20 30 CFEDMM C#Cc1ccc(-c2ccc3nc(C(=O)OC)[n-]c3c2)cc1 ZINC001242295826 781375629 /nfs/dbraw/zinc/37/56/29/781375629.db2.gz UNSVFBAEGYCXIC-UHFFFAOYSA-N -1 1 276.295 2.998 20 30 CFEDMM [O-]/N=C/c1ccc(F)c(-c2cc(F)ccc2CO)c1 ZINC001242341655 781413868 /nfs/dbraw/zinc/41/38/68/781413868.db2.gz JCDMMOGOARCVCA-REZTVBANSA-N -1 1 263.243 2.932 20 30 CFEDMM CC(C)Oc1cnc(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242563026 781601180 /nfs/dbraw/zinc/60/11/80/781601180.db2.gz PXOCCUDWELRRDU-UHFFFAOYSA-N -1 1 255.277 2.508 20 30 CFEDMM CCc1noc(-c2ccnc(-c3ccc([O-])c(C#N)c3)c2)n1 ZINC001242562809 781601663 /nfs/dbraw/zinc/60/16/63/781601663.db2.gz INCHQNAMOHHFGP-UHFFFAOYSA-N -1 1 292.298 2.938 20 30 CFEDMM N#Cc1cc(-c2ccc(OC(F)F)cn2)ccc1[O-] ZINC001242562680 781601884 /nfs/dbraw/zinc/60/18/84/781601884.db2.gz HEFLNZNDAJIPIE-UHFFFAOYSA-N -1 1 262.215 2.927 20 30 CFEDMM COC(=O)c1c[nH]c2ncc(-c3ccc([O-])c(C#N)c3)cc12 ZINC001242563767 781602486 /nfs/dbraw/zinc/60/24/86/781602486.db2.gz LBQNHCUNYKKSOM-UHFFFAOYSA-N -1 1 293.282 2.594 20 30 CFEDMM N#Cc1cc(-c2cc(C3CCC3)ncn2)ccc1[O-] ZINC001242563497 781602613 /nfs/dbraw/zinc/60/26/13/781602613.db2.gz RRLYMGRYNWKLJH-UHFFFAOYSA-N -1 1 251.289 2.988 20 30 CFEDMM N#Cc1cc(-c2cnc3[nH]cc(F)c3c2)ccc1[O-] ZINC001242565111 781602989 /nfs/dbraw/zinc/60/29/89/781602989.db2.gz MACZLEOJVSBCAF-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM N#Cc1cc(-c2ccc(N3CCCC3)nc2)ccc1[O-] ZINC001242564774 781603716 /nfs/dbraw/zinc/60/37/16/781603716.db2.gz SXKGGGNDCCVEKZ-UHFFFAOYSA-N -1 1 265.316 2.926 20 30 CFEDMM N#Cc1cc(-c2cccc(N3CCC3=O)c2)ccc1[O-] ZINC001242565431 781604661 /nfs/dbraw/zinc/60/46/61/781604661.db2.gz CNEYHWOUEMQSEA-UHFFFAOYSA-N -1 1 264.284 2.668 20 30 CFEDMM CCOC(=O)c1c(F)cncc1-c1ccc([O-])c(C#N)c1 ZINC001242565798 781604867 /nfs/dbraw/zinc/60/48/67/781604867.db2.gz SOGOJGKCJNYTGD-UHFFFAOYSA-N -1 1 286.262 2.642 20 30 CFEDMM COc1cc(-c2ccc([O-])c(C#N)c2)c2cc[nH]c2n1 ZINC001242565779 781604922 /nfs/dbraw/zinc/60/49/22/781604922.db2.gz CNQGYSVFLRGVOX-UHFFFAOYSA-N -1 1 265.272 2.816 20 30 CFEDMM CCOC(=O)c1ncccc1-c1ccc([O-])c(C#N)c1 ZINC001242565744 781604984 /nfs/dbraw/zinc/60/49/84/781604984.db2.gz RLPTXGXMYUPWHD-UHFFFAOYSA-N -1 1 268.272 2.503 20 30 CFEDMM COC(=O)c1noc2ccc(-c3ccc([O-])c(C#N)c3)cc21 ZINC001242566343 781605921 /nfs/dbraw/zinc/60/59/21/781605921.db2.gz UXEPTUVDUMOHJN-UHFFFAOYSA-N -1 1 294.266 2.859 20 30 CFEDMM CC(C)Cn1cccc(-c2ccc([O-])c(C#N)c2)c1=O ZINC001242567006 781606548 /nfs/dbraw/zinc/60/65/48/781606548.db2.gz ONNJAGBQWYIDMF-UHFFFAOYSA-N -1 1 268.316 2.749 20 30 CFEDMM CCC(=O)Nc1cc(-c2ccc([O-])c(C#N)c2)ccn1 ZINC001242566177 781606718 /nfs/dbraw/zinc/60/67/18/781606718.db2.gz LRBGHCNCGCHVSQ-UHFFFAOYSA-N -1 1 267.288 2.674 20 30 CFEDMM CC1(C)CNC(=O)c2cccc(-c3ccc([O-])c(C#N)c3)c21 ZINC001242566825 781606972 /nfs/dbraw/zinc/60/69/72/781606972.db2.gz LQGRHMUCAPVKRX-UHFFFAOYSA-N -1 1 292.338 2.952 20 30 CFEDMM CCOc1ncc(-c2ccc([O-])c(C#N)c2)cc1OC ZINC001242566212 781607007 /nfs/dbraw/zinc/60/70/07/781607007.db2.gz NGSZJQRRUYVJHY-UHFFFAOYSA-N -1 1 270.288 2.733 20 30 CFEDMM N#Cc1c[nH]c2ccnc(-c3ccccc3C(=O)[O-])c12 ZINC001242878991 781817879 /nfs/dbraw/zinc/81/78/79/781817879.db2.gz KQYAOCRVBLNQSR-UHFFFAOYSA-N -1 1 263.256 2.800 20 30 CFEDMM COCc1cncc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001242957421 781875208 /nfs/dbraw/zinc/87/52/08/781875208.db2.gz TYKAALZTWDQYDA-CAOOACKPSA-N -1 1 260.268 2.842 20 30 CFEDMM N#CCCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000594544910 349444365 /nfs/dbraw/zinc/44/43/65/349444365.db2.gz OSUYVQIWDTYANK-UHFFFAOYSA-N -1 1 261.256 2.818 20 30 CFEDMM CC[C@H](CSC)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596186288 349820765 /nfs/dbraw/zinc/82/07/65/349820765.db2.gz SZJCSWCHGMUCOQ-ZCFIWIBFSA-N -1 1 261.803 2.644 20 30 CFEDMM N#Cc1[n-]c(=NC[C@@H]2CCCC2(F)F)sc1Cl ZINC000596254664 349841879 /nfs/dbraw/zinc/84/18/79/349841879.db2.gz LUUMFFCFBMOBRJ-LURJTMIESA-N -1 1 277.727 2.937 20 30 CFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000172589435 232270288 /nfs/dbraw/zinc/27/02/88/232270288.db2.gz SYCUOUGBGWYMCP-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC3(CCC3)CC2)c1 ZINC000588023565 348767216 /nfs/dbraw/zinc/76/72/16/348767216.db2.gz XMRGLIJWCQOGBL-UHFFFAOYSA-N -1 1 270.332 2.670 20 30 CFEDMM COc1cc(C)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589169335 348815075 /nfs/dbraw/zinc/81/50/75/348815075.db2.gz HQEBMWHBKDSPHZ-UHFFFAOYSA-N -1 1 282.299 2.833 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2cccnc2)c1 ZINC000589168353 348815345 /nfs/dbraw/zinc/81/53/45/348815345.db2.gz RKMNLUWDBPXBBR-MRXNPFEDSA-N -1 1 293.326 2.636 20 30 CFEDMM C[C@@H](Cc1ccsc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589169802 348815406 /nfs/dbraw/zinc/81/54/06/348815406.db2.gz HSMOMHLLCCEPSR-JTQLQIEISA-N -1 1 286.356 2.686 20 30 CFEDMM Cc1cccc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589168038 348815447 /nfs/dbraw/zinc/81/54/47/348815447.db2.gz TTYDNCVIELULIA-UHFFFAOYSA-N -1 1 280.327 2.845 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000589184677 348816804 /nfs/dbraw/zinc/81/68/04/348816804.db2.gz VVMAGMJKTIFTRC-RHSMWYFYSA-N -1 1 292.338 2.625 20 30 CFEDMM CC[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589185040 348817196 /nfs/dbraw/zinc/81/71/96/348817196.db2.gz RHIBKZAMZXESQZ-RISCZKNCSA-N -1 1 272.348 2.962 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC=C(C(F)(F)F)CC2)c1 ZINC000589194427 348817609 /nfs/dbraw/zinc/81/76/09/348817609.db2.gz UHJAMYGLOKIGKU-UHFFFAOYSA-N -1 1 296.248 2.598 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CC23CCCCC3)c1 ZINC000589197284 348818688 /nfs/dbraw/zinc/81/86/88/348818688.db2.gz NYSLAXKTKSUPOA-AWEZNQCLSA-N -1 1 270.332 2.716 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc3cc[nH]c32)c1 ZINC000589207548 348819996 /nfs/dbraw/zinc/81/99/96/348819996.db2.gz ABZNOYPRLQPZAJ-UHFFFAOYSA-N -1 1 277.283 2.997 20 30 CFEDMM C=C(CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589528111 348838063 /nfs/dbraw/zinc/83/80/63/348838063.db2.gz QKAAIVGAABPBPF-UHFFFAOYSA-N -1 1 278.311 2.707 20 30 CFEDMM CCCC[C@@H](C)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589670969 348850094 /nfs/dbraw/zinc/85/00/94/348850094.db2.gz XKJKHPISUGVTPM-LLVKDONJSA-N -1 1 260.337 2.915 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCC[C@H]2C2CC2)c1 ZINC000591088413 348986564 /nfs/dbraw/zinc/98/65/64/348986564.db2.gz XMCBGUDIXUUWSS-CJNGLKHVSA-N -1 1 284.359 2.820 20 30 CFEDMM C[C@@H]1CC(C)(C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000591103148 348988118 /nfs/dbraw/zinc/98/81/18/348988118.db2.gz XUDHGTIQPBMSJZ-SNVBAGLBSA-N -1 1 258.321 2.524 20 30 CFEDMM C[C@H]1CC(C)(C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000591103147 348988233 /nfs/dbraw/zinc/98/82/33/348988233.db2.gz XUDHGTIQPBMSJZ-JTQLQIEISA-N -1 1 258.321 2.524 20 30 CFEDMM C[C@H](CC(C)(C)C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000590892047 348963159 /nfs/dbraw/zinc/96/31/59/348963159.db2.gz HDBBQQZPOFVJQR-SNVBAGLBSA-N -1 1 260.337 2.818 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC3(CC3(F)F)CC2)cc1[O-] ZINC000593825779 349330209 /nfs/dbraw/zinc/33/02/09/349330209.db2.gz KNDDQDLZBLHNSU-UHFFFAOYSA-N -1 1 292.285 2.525 20 30 CFEDMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000593785638 349326324 /nfs/dbraw/zinc/32/63/24/349326324.db2.gz IHKKQFPVLIOHNO-GXTWGEPZSA-N -1 1 272.348 2.818 20 30 CFEDMM N#CC1(NC(=O)c2ncc3ccccc3c2[O-])CCCC1 ZINC000597157292 350041222 /nfs/dbraw/zinc/04/12/22/350041222.db2.gz DOJZKRVQMHANOA-UHFFFAOYSA-N -1 1 281.315 2.507 20 30 CFEDMM C[C@]1(C#N)CCN(Cc2cccc([O-])c2Cl)C1 ZINC000597232039 350065385 /nfs/dbraw/zinc/06/53/85/350065385.db2.gz RDMACLIYVKRKQF-CYBMUJFWSA-N -1 1 250.729 2.781 20 30 CFEDMM Cc1nc(C(C)C)oc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000597683691 350123724 /nfs/dbraw/zinc/12/37/24/350123724.db2.gz DYQRJTDTGOFLSG-UHFFFAOYSA-N -1 1 299.330 2.614 20 30 CFEDMM CSCC1(CCNC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000597988759 350174793 /nfs/dbraw/zinc/17/47/93/350174793.db2.gz VKEJBGKTSJWDAG-UHFFFAOYSA-N -1 1 290.388 2.527 20 30 CFEDMM C[C@H](C#N)N(C(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC000598125224 350201752 /nfs/dbraw/zinc/20/17/52/350201752.db2.gz HJPZQRFZGWXEGS-MRVPVSSYSA-N -1 1 264.712 2.562 20 30 CFEDMM N#CC1(C(=O)Nc2cccc(F)c2[O-])CC2(CC2)C1 ZINC000601683116 350758567 /nfs/dbraw/zinc/75/85/67/350758567.db2.gz JLMVXGWZMBLIIC-UHFFFAOYSA-N -1 1 260.268 2.554 20 30 CFEDMM N#Cc1cccc(CC(=O)Nc2c([O-])cccc2F)c1 ZINC000610528505 351579209 /nfs/dbraw/zinc/57/92/09/351579209.db2.gz RDIAFEJQXCGTLT-UHFFFAOYSA-N -1 1 270.263 2.584 20 30 CFEDMM CC(C)CCN(CCC#N)C(=O)c1ccc([O-])c(F)c1 ZINC000613505509 351972092 /nfs/dbraw/zinc/97/20/92/351972092.db2.gz USSHDSZAUGZIDN-UHFFFAOYSA-N -1 1 278.327 2.933 20 30 CFEDMM CC(C)[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614897273 352130273 /nfs/dbraw/zinc/13/02/73/352130273.db2.gz DAVRHGFYRRUUJI-CYBMUJFWSA-N -1 1 272.348 2.772 20 30 CFEDMM Cc1nc2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc2o1 ZINC000614293404 352076500 /nfs/dbraw/zinc/07/65/00/352076500.db2.gz FPZYNQQTWDNMRR-UHFFFAOYSA-N -1 1 293.282 2.966 20 30 CFEDMM CCOc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614293481 352076606 /nfs/dbraw/zinc/07/66/06/352076606.db2.gz UVOKBVQGCRGXJD-UHFFFAOYSA-N -1 1 282.299 2.915 20 30 CFEDMM CCS[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614300519 352077187 /nfs/dbraw/zinc/07/71/87/352077187.db2.gz IZXCYRNHYUQZRX-KBPBESRZSA-N -1 1 290.388 2.668 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC2CC(c3ccccc3)C2)c1 ZINC000614367115 352085593 /nfs/dbraw/zinc/08/55/93/352085593.db2.gz DLNSNFSCSWINQR-UHFFFAOYSA-N -1 1 292.338 2.940 20 30 CFEDMM CSc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000615278406 352175182 /nfs/dbraw/zinc/17/51/82/352175182.db2.gz RJLJQKVJOUMMNP-UHFFFAOYSA-N -1 1 298.367 2.916 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(C3CC3)cs2)c1 ZINC000616030223 352276068 /nfs/dbraw/zinc/27/60/68/352276068.db2.gz JAAVYUUCEYSFEC-UHFFFAOYSA-N -1 1 285.328 2.850 20 30 CFEDMM C=CC[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000617781935 352644698 /nfs/dbraw/zinc/64/46/98/352644698.db2.gz VULPLULVZZNXAP-NSHDSACASA-N -1 1 263.312 2.960 20 30 CFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461153 353026896 /nfs/dbraw/zinc/02/68/96/353026896.db2.gz IJRRPJGSCNFVQJ-UHFFFAOYSA-N -1 1 286.356 2.862 20 30 CFEDMM C=CCCN(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632703017 355731645 /nfs/dbraw/zinc/73/16/45/355731645.db2.gz LRGRQYQYKWXWQI-UHFFFAOYSA-N -1 1 253.729 2.623 20 30 CFEDMM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188534807 290495735 /nfs/dbraw/zinc/49/57/35/290495735.db2.gz YALWQXLONIGDDL-RYUDHWBXSA-N -1 1 272.348 2.915 20 30 CFEDMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(C#N)c2)o1 ZINC000426769748 239259890 /nfs/dbraw/zinc/25/98/90/239259890.db2.gz LPPLCJQSTIUVBO-CQSZACIVSA-N -1 1 284.315 2.765 20 30 CFEDMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C[C@H]1C ZINC000443109177 241041864 /nfs/dbraw/zinc/04/18/64/241041864.db2.gz OVVRDCSHDSEEIU-JTNHKYCSSA-N -1 1 272.348 2.818 20 30 CFEDMM C=CCNc1ncc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000675538953 541665222 /nfs/dbraw/zinc/66/52/22/541665222.db2.gz XWGPZBXYTOUQSR-UHFFFAOYSA-N -1 1 293.323 2.838 20 30 CFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000070430441 374174257 /nfs/dbraw/zinc/17/42/57/374174257.db2.gz HBGVLDKRSZLMEY-UHFFFAOYSA-N -1 1 297.339 2.539 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000334146803 206081449 /nfs/dbraw/zinc/08/14/49/206081449.db2.gz CPVNDFGIRFBBNP-UHFFFAOYSA-N -1 1 262.652 2.763 20 30 CFEDMM N#Cc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000075912535 374512571 /nfs/dbraw/zinc/51/25/71/374512571.db2.gz TZGBTYQPZRJTPU-UHFFFAOYSA-N -1 1 256.236 2.655 20 30 CFEDMM C=CCCO[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129615333 377451725 /nfs/dbraw/zinc/45/17/25/377451725.db2.gz WIFUDPUORNZHAC-VIFPVBQESA-N -1 1 269.728 2.965 20 30 CFEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCSC1 ZINC000329847667 378504930 /nfs/dbraw/zinc/50/49/30/378504930.db2.gz PIIHIQSOKCNNBR-YFKPBYRVSA-N -1 1 280.275 2.555 20 30 CFEDMM N#CCCCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180510960 380669311 /nfs/dbraw/zinc/66/93/11/380669311.db2.gz SMXDOMQRVLQPDT-UHFFFAOYSA-N -1 1 286.253 2.835 20 30 CFEDMM N#CCc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181097693 380738319 /nfs/dbraw/zinc/73/83/19/380738319.db2.gz UALKKOZGHBHCJX-UHFFFAOYSA-N -1 1 270.263 2.850 20 30 CFEDMM CCN(Cc1occc1C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000412797329 381449201 /nfs/dbraw/zinc/44/92/01/381449201.db2.gz GSMITJUTOIDQQF-UHFFFAOYSA-N -1 1 284.315 2.828 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccnn2C(C)C)n1 ZINC000361661853 381855498 /nfs/dbraw/zinc/85/54/98/381855498.db2.gz HJPSSUWQGWSKGU-SNVBAGLBSA-N -1 1 274.349 2.719 20 30 CFEDMM C=C[C@H](CCC(=O)[O-])NCc1c(Cl)cccc1OC ZINC000417605409 382061669 /nfs/dbraw/zinc/06/16/69/382061669.db2.gz BCBRZXBEPPAUPL-SNVBAGLBSA-N -1 1 283.755 2.858 20 30 CFEDMM C[C@H]1C[C@]1(C#N)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000351091628 382025824 /nfs/dbraw/zinc/02/58/24/382025824.db2.gz FYXDGZBHAPOSAD-WPPNPWJKSA-N -1 1 275.695 2.897 20 30 CFEDMM Cc1c(C#N)cccc1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000357150083 382028972 /nfs/dbraw/zinc/02/89/72/382028972.db2.gz RLSHWJKSHZOGET-UHFFFAOYSA-N -1 1 298.371 2.572 20 30 CFEDMM COc1ccccc1CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188220693 382370404 /nfs/dbraw/zinc/37/04/04/382370404.db2.gz KTCNZVHZHPLKDK-UHFFFAOYSA-N -1 1 296.326 2.545 20 30 CFEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nccs1 ZINC000188533769 382430729 /nfs/dbraw/zinc/43/07/29/382430729.db2.gz YJAFTOJNTKSGBC-NSHDSACASA-N -1 1 287.344 2.601 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1O ZINC000188485458 382421907 /nfs/dbraw/zinc/42/19/07/382421907.db2.gz RQEHURLWJGRMDW-UHFFFAOYSA-N -1 1 288.690 2.875 20 30 CFEDMM CCN(CC1CCC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000358163406 382479122 /nfs/dbraw/zinc/47/91/22/382479122.db2.gz FUQDRWASXMTHCM-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM C=C(C)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000192708160 382711396 /nfs/dbraw/zinc/71/13/96/382711396.db2.gz ALNMATYSEBFKKC-UHFFFAOYSA-N -1 1 266.366 2.732 20 30 CFEDMM COc1cccc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000442619736 382939226 /nfs/dbraw/zinc/93/92/26/382939226.db2.gz HYFDTMBUSRRIQN-NSHDSACASA-N -1 1 296.326 2.763 20 30 CFEDMM C[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000457309801 383019057 /nfs/dbraw/zinc/01/90/57/383019057.db2.gz XVCDFOBACGSQRQ-MEDUHNTESA-N -1 1 272.348 2.962 20 30 CFEDMM CCCc1cc(=O)[n-]c(SCC2(C#N)CCC2)n1 ZINC000450627299 383478375 /nfs/dbraw/zinc/47/83/75/383478375.db2.gz IDQBFYGRWQPXMV-UHFFFAOYSA-N -1 1 263.366 2.921 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000437524123 383905240 /nfs/dbraw/zinc/90/52/40/383905240.db2.gz JNMKVASKHFPYEK-HZMBPMFUSA-N -1 1 295.766 2.757 20 30 CFEDMM C[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]1C ZINC000188552238 262314972 /nfs/dbraw/zinc/31/49/72/262314972.db2.gz KRUFWAKYSJFFIE-MNOVXSKESA-N -1 1 258.321 2.524 20 30 CFEDMM C=CCCOCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000683593962 542703318 /nfs/dbraw/zinc/70/33/18/542703318.db2.gz QDBIZHUAJFJCPQ-UHFFFAOYSA-N -1 1 264.256 2.674 20 30 CFEDMM CCc1cc(=O)[n-]c(SCc2ccc(C#N)cc2C)n1 ZINC000195075611 393730742 /nfs/dbraw/zinc/73/07/42/393730742.db2.gz VDFYWJAZEYQDGB-UHFFFAOYSA-N -1 1 285.372 2.805 20 30 CFEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000342986707 393877022 /nfs/dbraw/zinc/87/70/22/393877022.db2.gz CUIFJDFIGLIADB-SECBINFHSA-N -1 1 288.438 2.783 20 30 CFEDMM CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000351348045 393995179 /nfs/dbraw/zinc/99/51/79/393995179.db2.gz CEFYGMYTZDNSPC-HNNXBMFYSA-N -1 1 284.319 2.661 20 30 CFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000051637850 397589866 /nfs/dbraw/zinc/58/98/66/397589866.db2.gz HLFUIUWMALBVGF-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1ccc(C(=O)NCC2(C(F)(F)F)CCC2)cc1[O-] ZINC000343190876 154137061 /nfs/dbraw/zinc/13/70/61/154137061.db2.gz CQVLRLRHYPHXGU-UHFFFAOYSA-N -1 1 298.264 2.726 20 30 CFEDMM CCC#C[C@H](C)Sc1nc(CC)c(C)c(=O)[n-]1 ZINC000657263793 413382015 /nfs/dbraw/zinc/38/20/15/413382015.db2.gz MMQCBQDBPZKTTF-VIFPVBQESA-N -1 1 250.367 2.947 20 30 CFEDMM O=C(Nc1nnn[n-]1)c1cccc(Oc2ccccc2)c1 ZINC000006453735 170202592 /nfs/dbraw/zinc/20/25/92/170202592.db2.gz WJQACQBXPHNBMV-UHFFFAOYSA-N -1 1 281.275 2.628 20 30 CFEDMM O=C(Nc1nn[n-]n1)c1cccc(Oc2ccccc2)c1 ZINC000006453735 170202594 /nfs/dbraw/zinc/20/25/94/170202594.db2.gz WJQACQBXPHNBMV-UHFFFAOYSA-N -1 1 281.275 2.628 20 30 CFEDMM C=CCN(CC=C)C(=O)c1ccc(Br)cc1[O-] ZINC000044490168 175180348 /nfs/dbraw/zinc/18/03/48/175180348.db2.gz HSGIYZZNRFEVDW-UHFFFAOYSA-N -1 1 296.164 2.969 20 30 CFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000340851692 263309253 /nfs/dbraw/zinc/30/92/53/263309253.db2.gz XURJFIXYILQEOW-MRVPVSSYSA-N -1 1 277.748 2.722 20 30 CFEDMM O=C(NC1(CCO)CCCCC1)c1ccc([O-])cc1F ZINC000331250391 264180828 /nfs/dbraw/zinc/18/08/28/264180828.db2.gz YSWNKQFJOHJYAB-UHFFFAOYSA-N -1 1 281.327 2.921 20 30 CFEDMM COc1cc(C(=O)NC[C@@H]2CCC[C@@H]2O)cc(Cl)c1[O-] ZINC000331260199 264184067 /nfs/dbraw/zinc/18/40/67/264184067.db2.gz AKVKVLMZDQFMKE-KWQFWETISA-N -1 1 299.754 2.520 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCc3ccc(F)cc32)cc1[O-] ZINC000525954439 268204137 /nfs/dbraw/zinc/20/41/37/268204137.db2.gz APRSTHJWPKHLSX-OAHLLOKOSA-N -1 1 296.301 2.820 20 30 CFEDMM N#Cc1cccc(CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532267354 268277878 /nfs/dbraw/zinc/27/78/78/268277878.db2.gz IRKHLFKILGVNFM-UHFFFAOYSA-N -1 1 270.263 2.584 20 30 CFEDMM CC1(C)CCC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188616963 278235493 /nfs/dbraw/zinc/23/54/93/278235493.db2.gz WFKYKFIYSSUZEL-ZDUSSCGKSA-N -1 1 258.321 2.572 20 30 CFEDMM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561507423 282056204 /nfs/dbraw/zinc/05/62/04/282056204.db2.gz MMJRIVLHFGDBSR-YPMHNXCESA-N -1 1 296.392 2.788 20 30 CFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCC(C)(C)C1 ZINC000335280819 288920404 /nfs/dbraw/zinc/92/04/04/288920404.db2.gz OCNAIVZMEUVDTB-ZDUSSCGKSA-N -1 1 272.348 2.915 20 30 CFEDMM CC(=Cc1ccc(F)c(F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000562931665 290082435 /nfs/dbraw/zinc/08/24/35/290082435.db2.gz KYSPNWPQBWMJSG-VMPITWQZSA-N -1 1 287.269 2.789 20 30 CFEDMM C=C(C[N-]S(=O)(=O)c1sccc1F)c1ccccc1 ZINC000338989538 327994206 /nfs/dbraw/zinc/99/42/06/327994206.db2.gz HPZDYBAAKIITQU-UHFFFAOYSA-N -1 1 297.376 2.879 20 30 CFEDMM C[C@@H](C1CC1)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000188292428 324012957 /nfs/dbraw/zinc/01/29/57/324012957.db2.gz RMBDATDGIWFOMV-JTQLQIEISA-N -1 1 270.332 2.667 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)cc1[O-] ZINC000188394476 324014987 /nfs/dbraw/zinc/01/49/87/324014987.db2.gz AKHDONWWZBMZHV-MRXNPFEDSA-N -1 1 292.338 2.894 20 30 CFEDMM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188519087 324016516 /nfs/dbraw/zinc/01/65/16/324016516.db2.gz YTSGTSSGNHWVPN-CHWSQXEVSA-N -1 1 290.388 2.668 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cc1[O-] ZINC000188581887 324017584 /nfs/dbraw/zinc/01/75/84/324017584.db2.gz FXSMSGMNXNZETO-UHFFFAOYSA-N -1 1 298.264 2.678 20 30 CFEDMM N#Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1[O-] ZINC000188621676 324018786 /nfs/dbraw/zinc/01/87/86/324018786.db2.gz GKJXIIGOJSQRPV-KBPBESRZSA-N -1 1 270.332 2.526 20 30 CFEDMM COc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1C#N ZINC000173016663 329142236 /nfs/dbraw/zinc/14/22/36/329142236.db2.gz PALIECQLZYOBKK-FRKPEAEDSA-N -1 1 293.278 2.889 20 30 CFEDMM C=CCN(C(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000221918504 329215811 /nfs/dbraw/zinc/21/58/11/329215811.db2.gz RGVCLTLAEHKLCB-UHFFFAOYSA-N -1 1 296.164 2.945 20 30 CFEDMM Cc1c(-c2ccccc2)nc(S[C@@H](C)C#N)[n-]c1=O ZINC000185054404 329265163 /nfs/dbraw/zinc/26/51/63/329265163.db2.gz FQWPIMBIRKJGPF-VIFPVBQESA-N -1 1 271.345 2.750 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(F)nc1 ZINC000186397725 329343839 /nfs/dbraw/zinc/34/38/39/329343839.db2.gz VLWUEKMNSQBYJW-XGICHPGQSA-N -1 1 257.220 2.543 20 30 CFEDMM C=CC[C@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000116987513 330362845 /nfs/dbraw/zinc/36/28/45/330362845.db2.gz UAVGFILXROJJEX-QMMMGPOBSA-N -1 1 284.153 2.849 20 30 CFEDMM N#CCCCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451162819 331018327 /nfs/dbraw/zinc/01/83/27/331018327.db2.gz AFFALDGAGUDBRY-UHFFFAOYSA-N -1 1 296.323 2.544 20 30 CFEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000451808737 331043212 /nfs/dbraw/zinc/04/32/12/331043212.db2.gz GMNIGDFUCFBJSG-UHFFFAOYSA-N -1 1 293.310 2.594 20 30 CFEDMM C=CC(C)(C)CNC(=O)c1c(F)ccc([O-])c1F ZINC000452774847 331076206 /nfs/dbraw/zinc/07/62/06/331076206.db2.gz MMGZFAQJZGAIQW-UHFFFAOYSA-N -1 1 255.264 2.612 20 30 CFEDMM CCc1ccc([C@H](C#N)NC(=O)c2ncc(C)cc2[O-])cc1 ZINC000489968314 332074971 /nfs/dbraw/zinc/07/49/71/332074971.db2.gz VCWBQQHXEUTPFS-AWEZNQCLSA-N -1 1 295.342 2.653 20 30 CFEDMM C=CCCC[C@@H](C)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000337878617 335130725 /nfs/dbraw/zinc/13/07/25/335130725.db2.gz SJWZSVTWUJXVHC-NXEZZACHSA-N -1 1 255.387 2.824 20 30 CFEDMM CCN(C[C@@H](C)C#N)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153599980 334674583 /nfs/dbraw/zinc/67/45/83/334674583.db2.gz APZHDUJCKBBRMR-VIFPVBQESA-N -1 1 296.754 2.676 20 30 CFEDMM C=C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000264085887 534458752 /nfs/dbraw/zinc/45/87/52/534458752.db2.gz JUMUVVSMXGQSPM-UHFFFAOYSA-N -1 1 296.164 2.947 20 30 CFEDMM N#CC(=C([O-])c1cncc2ccccc21)c1ccncn1 ZINC000354476603 534740380 /nfs/dbraw/zinc/74/03/80/534740380.db2.gz ZRFPGLYZHOSSNE-ZDUSSCGKSA-N -1 1 274.283 2.515 20 30 CFEDMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)C1 ZINC000336405483 524626090 /nfs/dbraw/zinc/62/60/90/524626090.db2.gz CZWVSTOTIGRZAN-SJKOYZFVSA-N -1 1 284.359 2.916 20 30 CFEDMM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCCO2)c1 ZINC000329927662 528747549 /nfs/dbraw/zinc/74/75/49/528747549.db2.gz LUJADOAGHHMMGK-UHFFFAOYSA-N -1 1 278.308 2.558 20 30 CFEDMM C#Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])nc1 ZINC000754493931 574098570 /nfs/dbraw/zinc/09/85/70/574098570.db2.gz BNCIBAHBNQFAOZ-UHFFFAOYSA-N -1 1 272.691 2.674 20 30 CFEDMM CNC(=S)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000731319709 574116558 /nfs/dbraw/zinc/11/65/58/574116558.db2.gz GSTJKHMZEPVFNY-VIFPVBQESA-N -1 1 265.407 2.997 20 30 CFEDMM O=[N+]([O-])c1ccccc1NN=Cc1cccc(F)c1[O-] ZINC000755464788 574163517 /nfs/dbraw/zinc/16/35/17/574163517.db2.gz BMTAHOCDCGBOCQ-UHFFFAOYSA-N -1 1 275.239 2.886 20 30 CFEDMM Cc1cccc(CNN=Cc2cccc(F)c2[O-])c1 ZINC000755772979 574186757 /nfs/dbraw/zinc/18/67/57/574186757.db2.gz ADGMZYWGGFYGDQ-UHFFFAOYSA-N -1 1 258.296 2.963 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCCc3cc(F)ccc32)n1 ZINC000747624966 574203926 /nfs/dbraw/zinc/20/39/26/574203926.db2.gz WTEFJOPBJARCMQ-UHFFFAOYSA-N -1 1 286.310 2.782 20 30 CFEDMM COc1cc(C)nc(N=NCc2ccc([O-])c(Cl)c2)n1 ZINC000747634788 574204148 /nfs/dbraw/zinc/20/41/48/574204148.db2.gz AHBHGJSIZDBHNU-UHFFFAOYSA-N -1 1 292.726 2.599 20 30 CFEDMM O=[N+]([O-])c1ccc(C=NN=c2[nH]c3ccccc3[nH]2)cc1[O-] ZINC000748132484 574231319 /nfs/dbraw/zinc/23/13/19/574231319.db2.gz UMGZAWCUAGCMSP-UHFFFAOYSA-N -1 1 297.274 2.623 20 30 CFEDMM C[C@@H]1CCC[C@](C#N)([N-]C(=O)C(F)(F)c2nccs2)C1 ZINC000756745742 574260415 /nfs/dbraw/zinc/26/04/15/574260415.db2.gz RJXKPSDVGYLQCF-SKDRFNHKSA-N -1 1 299.346 2.824 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1nc(C)cs1 ZINC000756901444 574271319 /nfs/dbraw/zinc/27/13/19/574271319.db2.gz QAJQYJZXBWVXCI-UHFFFAOYSA-N -1 1 291.332 2.604 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cccnc1 ZINC000756901066 574271362 /nfs/dbraw/zinc/27/13/62/574271362.db2.gz IKJKIYPZPLDFPZ-UHFFFAOYSA-N -1 1 285.303 2.625 20 30 CFEDMM COCc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC000741758368 574300926 /nfs/dbraw/zinc/30/09/26/574300926.db2.gz WMLONYUVXGTYAO-UHFFFAOYSA-N -1 1 284.315 2.977 20 30 CFEDMM O=C([O-])c1ccc(CN=Nc2cc(F)c(F)cc2F)[nH]1 ZINC000749814361 574310758 /nfs/dbraw/zinc/31/07/58/574310758.db2.gz NPTOATQRDYEZIF-UHFFFAOYSA-N -1 1 283.209 2.576 20 30 CFEDMM Cc1ccc2[nH]cc(C=NNc3nc(C)cc(=O)[n-]3)c2c1 ZINC000735609177 574331067 /nfs/dbraw/zinc/33/10/67/574331067.db2.gz OWKKJDFEMQMHRY-UHFFFAOYSA-N -1 1 281.319 2.726 20 30 CFEDMM CO[C@H](C(=O)N([O-])Cc1cccc2ccccc21)C1CC1 ZINC000900092154 620637289 /nfs/dbraw/zinc/63/72/89/620637289.db2.gz ZSAAGAQCDWCZKN-INIZCTEOSA-N -1 1 285.343 2.983 20 30 CFEDMM Cc1cccc(F)c1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000832969553 600756652 /nfs/dbraw/zinc/75/66/52/600756652.db2.gz LANOZVOEQZGNBC-INIZCTEOSA-N -1 1 298.317 2.921 20 30 CFEDMM O=C([O-])c1ccc(/C=C\C(=O)c2ccccc2O)o1 ZINC000833311782 601825934 /nfs/dbraw/zinc/82/59/34/601825934.db2.gz DBSFYEYJXIVUPA-ALCCZGGFSA-N -1 1 258.229 2.580 20 30 CFEDMM CN(Cc1ccc(C(=O)[O-])s1)Cc1ccc(C#N)cc1 ZINC000830811235 601940765 /nfs/dbraw/zinc/94/07/65/601940765.db2.gz VTSMFMCXZHPPRB-UHFFFAOYSA-N -1 1 286.356 2.950 20 30 CFEDMM C=C(C)CN(CC)Cc1cccc(C(=O)[O-])c1C#N ZINC000833369096 604601609 /nfs/dbraw/zinc/60/16/09/604601609.db2.gz FETIQKNCFIJNII-UHFFFAOYSA-N -1 1 258.321 2.654 20 30 CFEDMM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ccc(F)cc1F ZINC000833406012 605038233 /nfs/dbraw/zinc/03/82/33/605038233.db2.gz JUOJLXJTKDPDCJ-VIFPVBQESA-N -1 1 293.273 2.858 20 30 CFEDMM N#CC(C(=O)Cc1ccccc1NC(=O)[O-])c1ccccn1 ZINC000833959711 606090947 /nfs/dbraw/zinc/09/09/47/606090947.db2.gz CSBYXNYERGYVPA-GFCCVEGCSA-N -1 1 295.298 2.590 20 30 CFEDMM C#CCOc1ccccc1NC(=O)c1ccccc1[O-] ZINC000187217095 617679150 /nfs/dbraw/zinc/67/91/50/617679150.db2.gz RLWKBWDYGIHNAK-UHFFFAOYSA-N -1 1 267.284 2.657 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NN1C(=S)N=NC1C(C)C ZINC000901141919 620756203 /nfs/dbraw/zinc/75/62/03/620756203.db2.gz OMZYXFNFGYBUNR-UHFFFAOYSA-N -1 1 294.355 2.726 20 30 CFEDMM O=[N+]([O-])c1cc(N=Cc2ccc(O)c([O-])c2O)ccc1F ZINC000255083648 617953619 /nfs/dbraw/zinc/95/36/19/617953619.db2.gz IYDAWPPANXIPRQ-UHFFFAOYSA-N -1 1 292.222 2.601 20 30 CFEDMM Cc1ncccc1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000255140639 618003132 /nfs/dbraw/zinc/00/31/32/618003132.db2.gz OSALUGCUDYHPGQ-VGOFMYFVSA-N -1 1 253.257 2.712 20 30 CFEDMM C=CCC1(O)CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000924434150 618084600 /nfs/dbraw/zinc/08/46/00/618084600.db2.gz HAHGWBASFAZNPR-UHFFFAOYSA-N -1 1 295.766 2.589 20 30 CFEDMM CCCCCCCC(=O)N[C@@H](CCC)c1nn[n-]n1 ZINC000176748713 618108650 /nfs/dbraw/zinc/10/86/50/618108650.db2.gz ZQIBWIJJGAXDIC-NSHDSACASA-N -1 1 267.377 2.518 20 30 CFEDMM C[C@@H]1C[C@@H](NN=Cc2ccc([O-])c(Cl)c2)C[C@H](C)O1 ZINC000901311066 620782778 /nfs/dbraw/zinc/78/27/78/620782778.db2.gz QUMCXOSNFVUZOH-PEGIJTEDSA-N -1 1 282.771 2.925 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cnn2ccccc12 ZINC000255307298 618185620 /nfs/dbraw/zinc/18/56/20/618185620.db2.gz MQHITTLQKGXJPQ-CHHVJCJISA-N -1 1 278.267 2.656 20 30 CFEDMM C[C@H](CN([C@H](C)C#N)C1CC1)C(=O)c1ccc([O-])cc1 ZINC000930973056 618357051 /nfs/dbraw/zinc/35/70/51/618357051.db2.gz GEEKWYPLXFRWKQ-VXGBXAGGSA-N -1 1 272.348 2.587 20 30 CFEDMM O=C([C@@H]1Cc2ccccc2O1)N([O-])Cc1ccc(F)cc1 ZINC000901376587 620798430 /nfs/dbraw/zinc/79/84/30/620798430.db2.gz WNQRENHPZCIFOG-HNNXBMFYSA-N -1 1 287.290 2.547 20 30 CFEDMM CCCc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000901418057 620812463 /nfs/dbraw/zinc/81/24/63/620812463.db2.gz XZDRTVVNHUZMRM-OAGJVSPASA-N -1 1 298.338 2.867 20 30 CFEDMM Cc1nn(C)cc1/C=C\C(=O)c1cc(C)ccc1[O-] ZINC000255911666 618661034 /nfs/dbraw/zinc/66/10/34/618661034.db2.gz JMXLUQSZJIKVBB-ALCCZGGFSA-N -1 1 256.305 2.639 20 30 CFEDMM C=C1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000896311101 619715755 /nfs/dbraw/zinc/71/57/55/619715755.db2.gz KXMSGAWRUNJUKC-UHFFFAOYSA-N -1 1 280.755 2.907 20 30 CFEDMM C=C1CC(c2noc(-c3ccc(OC)cc3[O-])n2)C1 ZINC000896883478 619858114 /nfs/dbraw/zinc/85/81/14/619858114.db2.gz JDXYCIZFKGARBY-UHFFFAOYSA-N -1 1 258.277 2.884 20 30 CFEDMM N#CCC1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000897635064 620264849 /nfs/dbraw/zinc/26/48/49/620264849.db2.gz WPNOCDPOFHQOPR-UHFFFAOYSA-N -1 1 296.326 2.675 20 30 CFEDMM C[C@@H](C#N)N(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC000898678845 620488000 /nfs/dbraw/zinc/48/80/00/620488000.db2.gz WKWJACSOGMRLEG-JTQLQIEISA-N -1 1 296.326 2.768 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000899166144 620527276 /nfs/dbraw/zinc/52/72/76/620527276.db2.gz JRKOBURFXOLWSC-QXMXGUDHSA-N -1 1 288.372 2.642 20 30 CFEDMM C#CCCc1cc(=O)n(-c2ccc(OCC)cc2)[n-]1 ZINC000899347090 620547853 /nfs/dbraw/zinc/54/78/53/620547853.db2.gz HPGPUZOZZCTABM-UHFFFAOYSA-N -1 1 256.305 2.591 20 30 CFEDMM C#CCc1c(C)[n-]n([C@@H]2CCc3c2cccc3F)c1=O ZINC000899356689 620549969 /nfs/dbraw/zinc/54/99/69/620549969.db2.gz QGYZOBJUPKKSGA-IAQYHMDHSA-N -1 1 270.307 2.671 20 30 CFEDMM N#Cc1ccc(C(=O)N(CC(F)F)C2CCC2)cc1[O-] ZINC000899786539 620599491 /nfs/dbraw/zinc/59/94/91/620599491.db2.gz XTYWLBILVDJTQR-UHFFFAOYSA-N -1 1 280.274 2.524 20 30 CFEDMM C=CCC[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000901689704 620894982 /nfs/dbraw/zinc/89/49/82/620894982.db2.gz DXRUYLQZKPAODQ-UHTWSYAYSA-N -1 1 263.337 2.912 20 30 CFEDMM C=CCN(CC(=O)[O-])Cc1ccccc1CC(C)C ZINC000903595551 621403978 /nfs/dbraw/zinc/40/39/78/621403978.db2.gz FMNKDOCETHFEAS-UHFFFAOYSA-N -1 1 261.365 2.958 20 30 CFEDMM CC[C@](C)(OC)C(=O)N([O-])Cc1ccccc1Cl ZINC000904192905 621546929 /nfs/dbraw/zinc/54/69/29/621546929.db2.gz DPZRTYJUGDFJFQ-ZDUSSCGKSA-N -1 1 271.744 2.873 20 30 CFEDMM C=C(Br)CN[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000905394281 621765820 /nfs/dbraw/zinc/76/58/20/621765820.db2.gz IAVHKVGKSGGEQU-GFCCVEGCSA-N -1 1 298.180 2.927 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@@]23C[C@@H]2CCCC3)cc1[O-] ZINC000927441685 621870689 /nfs/dbraw/zinc/87/06/89/621870689.db2.gz WOUKYJTZFJPMJJ-XJKSGUPXSA-N -1 1 270.332 2.574 20 30 CFEDMM C=C[C@@H](CC)CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000905948625 621910317 /nfs/dbraw/zinc/91/03/17/621910317.db2.gz OHSYSHWIOBOCMK-JTQLQIEISA-N -1 1 275.352 2.602 20 30 CFEDMM N#CC1(C(=O)Nc2cc([O-])c(F)cc2F)CCCC1 ZINC000909976105 622379016 /nfs/dbraw/zinc/37/90/16/622379016.db2.gz XMVMQOVDIZSBAA-UHFFFAOYSA-N -1 1 266.247 2.693 20 30 CFEDMM C=CCOCCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982812 622494608 /nfs/dbraw/zinc/49/46/08/622494608.db2.gz QNOBFTUQGJRJOI-UHFFFAOYSA-N -1 1 271.263 2.592 20 30 CFEDMM N#CCCCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986124 622495561 /nfs/dbraw/zinc/49/55/61/622495561.db2.gz IMNORMKSSZQRAT-UHFFFAOYSA-N -1 1 254.236 2.693 20 30 CFEDMM C=C[C@@](C)(CCOC)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910993813 622496781 /nfs/dbraw/zinc/49/67/81/622496781.db2.gz ROHQRFUGXFBTLC-AWEZNQCLSA-N -1 1 285.290 2.838 20 30 CFEDMM N#CC(=C([O-])C=C[C@@H]1CCCO1)c1cnc2ccccc2n1 ZINC000820853563 622775018 /nfs/dbraw/zinc/77/50/18/622775018.db2.gz XLPZVJYIHMPHLL-YHQHFJRFSA-N -1 1 293.326 2.541 20 30 CFEDMM O=C(/C=C\c1ccc(-n2cncn2)cc1)c1ccc([O-])cc1 ZINC000229863607 623229639 /nfs/dbraw/zinc/22/96/39/623229639.db2.gz QYMNXFFSCPZEGM-KMKOMSMNSA-N -1 1 291.310 2.869 20 30 CFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccco1 ZINC000193390837 623992742 /nfs/dbraw/zinc/99/27/42/623992742.db2.gz IFTYSYNQWXJKEZ-NSHDSACASA-N -1 1 288.690 2.894 20 30 CFEDMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000828148413 624185798 /nfs/dbraw/zinc/18/57/98/624185798.db2.gz PYJUPDPODCNWOI-OPQSFPLASA-N -1 1 270.332 2.650 20 30 CFEDMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000828148411 624186097 /nfs/dbraw/zinc/18/60/97/624186097.db2.gz PYJUPDPODCNWOI-BPGGGUHBSA-N -1 1 270.332 2.650 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CSCc3ccccc32)n1 ZINC000915932276 624190777 /nfs/dbraw/zinc/19/07/77/624190777.db2.gz MWDSCOMJKWWJPP-UHFFFAOYSA-N -1 1 286.360 2.554 20 30 CFEDMM Cn1c2ccccc2[nH]c1=NN=Cc1ccc(C(=O)[O-])cc1 ZINC000915968539 624195934 /nfs/dbraw/zinc/19/59/34/624195934.db2.gz YTHATARLRIWPLK-UHFFFAOYSA-N -1 1 294.314 2.718 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccccc1Cl ZINC000916241701 624230792 /nfs/dbraw/zinc/23/07/92/624230792.db2.gz OXMZXDYNCHFGLI-UHFFFAOYSA-N -1 1 276.727 2.980 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C1\COc2ccc(F)cc21 ZINC000918155031 624424349 /nfs/dbraw/zinc/42/43/49/624424349.db2.gz DIHJBWDUWKYFSX-FOWTUZBSSA-N -1 1 284.242 2.910 20 30 CFEDMM Cc1nc(SCc2cncc(C#N)c2)[n-]c(=O)c1C1CC1 ZINC000918462096 624437082 /nfs/dbraw/zinc/43/70/82/624437082.db2.gz ACUGFYJYJZKPIZ-UHFFFAOYSA-N -1 1 298.371 2.927 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1csc(C)c1 ZINC000834912234 625920764 /nfs/dbraw/zinc/92/07/64/625920764.db2.gz MKIGGICGLMXZDB-UHFFFAOYSA-N -1 1 262.338 2.697 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cnn2ccccc12 ZINC000187223399 626480904 /nfs/dbraw/zinc/48/09/04/626480904.db2.gz WGDLQLDVXJLFJE-WQLSENKSSA-N -1 1 276.295 2.862 20 30 CFEDMM Cc1ccc(N=NC(C)c2cc(F)cc(F)c2[O-])nn1 ZINC000757465804 626552788 /nfs/dbraw/zinc/55/27/88/626552788.db2.gz XNDDOXFECCJEFY-UHFFFAOYSA-N -1 1 278.262 2.605 20 30 CFEDMM O=C([O-])c1ccc(N=NCc2cc(F)c(F)cc2F)nc1 ZINC000763371460 626983498 /nfs/dbraw/zinc/98/34/98/626983498.db2.gz BAYIALTWJAFVJF-UHFFFAOYSA-N -1 1 295.220 2.643 20 30 CFEDMM CCN(C[C@H](C)C#N)C(=O)c1c([O-])cccc1Cl ZINC000763983580 627028816 /nfs/dbraw/zinc/02/88/16/627028816.db2.gz DBTLDFDADMADSQ-SECBINFHSA-N -1 1 266.728 2.667 20 30 CFEDMM CC(C)[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765791965 627158226 /nfs/dbraw/zinc/15/82/26/627158226.db2.gz MLHPCDKXURBDDG-LLVKDONJSA-N -1 1 270.254 2.582 20 30 CFEDMM CC(C)C[C@H](C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000768140486 627320580 /nfs/dbraw/zinc/32/05/80/627320580.db2.gz PXTOIOXGDGPGDQ-GFCCVEGCSA-N -1 1 284.281 2.972 20 30 CFEDMM COc1ccnc(N=NC(C)c2ccc([O-])c(Cl)c2)n1 ZINC000768773210 627371508 /nfs/dbraw/zinc/37/15/08/627371508.db2.gz MRDMUZDRJCQGAO-UHFFFAOYSA-N -1 1 292.726 2.680 20 30 CFEDMM N#CCn1cc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000769739039 627471575 /nfs/dbraw/zinc/47/15/75/627471575.db2.gz XLPLVTSROBEBHK-UHFFFAOYSA-N -1 1 292.298 2.518 20 30 CFEDMM COC(=O)c1coc(/C=C/C(=O)c2cc(C)ccc2[O-])c1 ZINC000774137525 627892492 /nfs/dbraw/zinc/89/24/92/627892492.db2.gz XIBNXZHXZUQSNE-GQCTYLIASA-N -1 1 286.283 2.976 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCCNc3ccccc32)n1 ZINC000774300623 627913430 /nfs/dbraw/zinc/91/34/30/627913430.db2.gz GPAVQQGGEXKMFU-UHFFFAOYSA-N -1 1 283.335 2.513 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(F)c1F ZINC000776257539 628122575 /nfs/dbraw/zinc/12/25/75/628122575.db2.gz MCQCXMCKNPJOBP-UHFFFAOYSA-N -1 1 278.262 2.605 20 30 CFEDMM N#CCc1ccccc1CC(=O)Nc1c([O-])cccc1F ZINC000777431878 628224866 /nfs/dbraw/zinc/22/48/66/628224866.db2.gz XEIZQFKLLLJRLW-UHFFFAOYSA-N -1 1 284.290 2.779 20 30 CFEDMM C=CC[C@H](NC(=O)c1ncc(C)cc1[O-])c1ccncc1 ZINC000778838335 628335566 /nfs/dbraw/zinc/33/55/66/628335566.db2.gz XEDYAVJVJGECSF-ZDUSSCGKSA-N -1 1 283.331 2.538 20 30 CFEDMM COc1cccc(NN=C(C)c2cccc(C(=O)[O-])c2)n1 ZINC000779817477 628410809 /nfs/dbraw/zinc/41/08/09/628410809.db2.gz PBUHIZJTQNNGKG-UHFFFAOYSA-N -1 1 285.303 2.625 20 30 CFEDMM COC(=O)c1cccc(NN=Cc2cccc(F)c2[O-])c1 ZINC000779826781 628411758 /nfs/dbraw/zinc/41/17/58/628411758.db2.gz DCGJGLKPXUBLOO-UHFFFAOYSA-N -1 1 288.278 2.764 20 30 CFEDMM CC(=NN[C@@H]1CCCOC1)c1ccc([O-])c(Cl)c1 ZINC000780260583 628447306 /nfs/dbraw/zinc/44/73/06/628447306.db2.gz NFVVLFROMMMJGZ-LLVKDONJSA-N -1 1 268.744 2.538 20 30 CFEDMM C#Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000780992189 628511856 /nfs/dbraw/zinc/51/18/56/628511856.db2.gz MEVDWFSFQVATOQ-UHFFFAOYSA-N -1 1 272.691 2.674 20 30 CFEDMM C[C@@]1(C#N)CCCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000784455844 628818467 /nfs/dbraw/zinc/81/84/67/628818467.db2.gz XGTIVRAWXAPWLK-KRWDZBQOSA-N -1 1 298.342 2.624 20 30 CFEDMM CN(CCc1ccccc1F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000785416311 628881028 /nfs/dbraw/zinc/88/10/28/628881028.db2.gz ZBIRYXNUFPCZFK-UHFFFAOYSA-N -1 1 298.317 2.718 20 30 CFEDMM C#CCCc1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000785584007 628895646 /nfs/dbraw/zinc/89/56/46/628895646.db2.gz ILIGJBJQOGCMOF-UHFFFAOYSA-N -1 1 278.695 2.670 20 30 CFEDMM CC[C@H](C)NN=Cc1cc(O)c([O-])c(Br)c1 ZINC000790191439 629218642 /nfs/dbraw/zinc/21/86/42/629218642.db2.gz YZOVKGVVIAWFAA-ZETCQYMHSA-N -1 1 287.157 2.582 20 30 CFEDMM C#Cc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC000792628741 629440212 /nfs/dbraw/zinc/44/02/12/629440212.db2.gz YYPUZGKVZZAXES-UHFFFAOYSA-N -1 1 264.284 2.812 20 30 CFEDMM CC[C@@H](NN=Cc1ccc(N2CCCCC2)s1)C(=O)[O-] ZINC000793078746 629484391 /nfs/dbraw/zinc/48/43/91/629484391.db2.gz OGCZERAIHPVFCW-GFCCVEGCSA-N -1 1 295.408 2.525 20 30 CFEDMM CC[C@@H](C)CON=Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000793146858 629492902 /nfs/dbraw/zinc/49/29/02/629492902.db2.gz VUFXOEYKXGEBEL-SECBINFHSA-N -1 1 282.296 2.706 20 30 CFEDMM [O-]c1c(F)cc(Cl)cc1CN=Nc1ncncc1F ZINC000793218507 629507767 /nfs/dbraw/zinc/50/77/67/629507767.db2.gz WPXHUKWYASHJAE-UHFFFAOYSA-N -1 1 284.653 2.560 20 30 CFEDMM N#Cc1ccc(NN=Cc2c(F)ccc([O-])c2F)cc1 ZINC000794493940 629651038 /nfs/dbraw/zinc/65/10/38/629651038.db2.gz PSTUCEQIAUSZCA-UHFFFAOYSA-N -1 1 273.242 2.988 20 30 CFEDMM C=CCCC[C@@H](C)OC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796366547 629909210 /nfs/dbraw/zinc/90/92/10/629909210.db2.gz TXKFQNRXLKEJLR-SNVBAGLBSA-N -1 1 265.309 2.703 20 30 CFEDMM C=C(Cl)COC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801368714 630442887 /nfs/dbraw/zinc/44/28/87/630442887.db2.gz BGCLSCIIUBTMKD-UHFFFAOYSA-N -1 1 292.722 2.796 20 30 CFEDMM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000804455145 630682998 /nfs/dbraw/zinc/68/29/98/630682998.db2.gz DYKRGCUFCHQVII-HNNXBMFYSA-N -1 1 297.329 2.896 20 30 CFEDMM C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])cc1F ZINC000804454572 630683046 /nfs/dbraw/zinc/68/30/46/630683046.db2.gz QUNSMIBWKDRIMZ-CQSZACIVSA-N -1 1 297.329 2.896 20 30 CFEDMM O=C([O-])c1ccc(C(=O)/C=C\c2cccc(O)c2)c(O)c1 ZINC000806559893 630812108 /nfs/dbraw/zinc/81/21/08/630812108.db2.gz GJQFYZFYSQUBJV-DAXSKMNVSA-N -1 1 284.267 2.692 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C/c2cnccn2)c([O-])c1 ZINC000809155951 631090695 /nfs/dbraw/zinc/09/06/95/631090695.db2.gz AIBLXZDIYNYNTB-ONEGZZNKSA-N -1 1 254.289 2.695 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3c(F)cccc3C2)c1 ZINC000809736909 631274000 /nfs/dbraw/zinc/27/40/00/631274000.db2.gz NKVZGUILEWNGFI-UHFFFAOYSA-N -1 1 296.301 2.601 20 30 CFEDMM CC(NNc1cccc(C(=O)[O-])c1)=C1CC1(F)F ZINC000841601988 631427225 /nfs/dbraw/zinc/42/72/25/631427225.db2.gz BCZAOUSTPXYQMK-SNVBAGLBSA-N -1 1 254.236 2.828 20 30 CFEDMM CC(NNc1ccc(C(=O)[O-])cc1)=C1CC1(F)F ZINC000841605414 631428088 /nfs/dbraw/zinc/42/80/88/631428088.db2.gz ZSUIXZTTXUAPHF-JTQLQIEISA-N -1 1 254.236 2.828 20 30 CFEDMM CC(=NOC[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841638650 631440477 /nfs/dbraw/zinc/44/04/77/631440477.db2.gz UGKHTROUSCNKLG-JTQLQIEISA-N -1 1 269.728 2.823 20 30 CFEDMM CC[C@H](O)CNN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000811653692 631595209 /nfs/dbraw/zinc/59/52/09/631595209.db2.gz GXUUAXPDUNNRRW-NSHDSACASA-N -1 1 292.766 2.893 20 30 CFEDMM O=C([O-])COc1ccccc1CN=Nc1ccccc1F ZINC000812458744 631721988 /nfs/dbraw/zinc/72/19/88/631721988.db2.gz JSQJGMLTAJWYPW-UHFFFAOYSA-N -1 1 288.278 2.735 20 30 CFEDMM C#C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000812747672 631766452 /nfs/dbraw/zinc/76/64/52/631766452.db2.gz GNWNOODPBVHCIK-CQSZACIVSA-N -1 1 287.265 2.775 20 30 CFEDMM CC(C)CCNC(=S)NN=Cc1cccc([O-])c1Cl ZINC000814759178 632118889 /nfs/dbraw/zinc/11/88/89/632118889.db2.gz UCMLQINKTQXHDD-UHFFFAOYSA-N -1 1 299.827 2.890 20 30 CFEDMM CC(=NNCCN1CCCCC1)[C@@H](C)CCCCC(=O)[O-] ZINC000814808711 632130058 /nfs/dbraw/zinc/13/00/58/632130058.db2.gz RHWHGKMGTBDFFI-AWEZNQCLSA-N -1 1 297.443 2.719 20 30 CFEDMM Cc1nc(C#N)c(N=NCc2cc(Cl)c(F)cc2[O-])o1 ZINC000814812954 632131169 /nfs/dbraw/zinc/13/11/69/632131169.db2.gz RJBILYHQTXHBQM-UHFFFAOYSA-N -1 1 294.673 2.799 20 30 CFEDMM Cc1cc(NN=Cc2cc(Cl)c(F)cc2[O-])ncn1 ZINC000814846196 632137173 /nfs/dbraw/zinc/13/71/73/632137173.db2.gz IXEYRJLIGBKQDI-UHFFFAOYSA-N -1 1 280.690 2.729 20 30 CFEDMM [O-]c1cccc(C=NNCCOCC(F)(F)F)c1Cl ZINC000814889510 632150656 /nfs/dbraw/zinc/15/06/56/632150656.db2.gz JBKSLTATPNKQMR-UHFFFAOYSA-N -1 1 296.676 2.548 20 30 CFEDMM O=C([O-])c1cccc(CN=Nc2cc(Cl)ccn2)c1 ZINC000814897805 632154170 /nfs/dbraw/zinc/15/41/70/632154170.db2.gz FNRZIGSXWLKGGA-UHFFFAOYSA-N -1 1 275.695 2.879 20 30 CFEDMM Cc1[nH]c(CN=Nc2ccc(F)c(F)c2F)cc1C(=O)[O-] ZINC000814945936 632177718 /nfs/dbraw/zinc/17/77/18/632177718.db2.gz XPMSPDYZCWHYCD-UHFFFAOYSA-N -1 1 297.236 2.885 20 30 CFEDMM CC(C)(C)c1[nH]ncc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000815877907 632327695 /nfs/dbraw/zinc/32/76/95/632327695.db2.gz LIXCLOAFPCXIFP-UHFFFAOYSA-N -1 1 284.319 2.537 20 30 CFEDMM Cc1nc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)c(C)o1 ZINC000815908175 632332470 /nfs/dbraw/zinc/33/24/70/632332470.db2.gz VFSYNIFALBJAKZ-ZDUSSCGKSA-N -1 1 297.314 2.561 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000816083875 632368409 /nfs/dbraw/zinc/36/84/09/632368409.db2.gz HZNARPDTGNHOHQ-VIFPVBQESA-N -1 1 289.228 2.726 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C3CC3)c2)c(=O)o1 ZINC000817342250 632609862 /nfs/dbraw/zinc/60/98/62/632609862.db2.gz RKKODJKBRMMPPP-AFCDSYGPSA-N -1 1 296.322 2.792 20 30 CFEDMM C=CCN(CC(=O)[O-])C[C@H](OC(C)C)c1ccccc1 ZINC000846263643 632676418 /nfs/dbraw/zinc/67/64/18/632676418.db2.gz PZOQASAJQBXBCO-HNNXBMFYSA-N -1 1 277.364 2.725 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1coc2cc(OC)ccc12 ZINC000846541074 632729690 /nfs/dbraw/zinc/72/96/90/632729690.db2.gz CTSPCFDLMNSDRN-SNVBAGLBSA-N -1 1 275.304 2.606 20 30 CFEDMM C=C[C@@H](C)ONC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000846548337 632736009 /nfs/dbraw/zinc/73/60/09/632736009.db2.gz JHCVEUBIHDPVTE-SSDOTTSWSA-N -1 1 275.226 2.647 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)C1(Cc2ccccc2F)CC1 ZINC000846555344 632741771 /nfs/dbraw/zinc/74/17/71/632741771.db2.gz QBHHJWWDKCRACE-LLVKDONJSA-N -1 1 263.312 2.771 20 30 CFEDMM C#C[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000848281215 633230874 /nfs/dbraw/zinc/23/08/74/633230874.db2.gz WKCTZJSTIHKASL-JTQLQIEISA-N -1 1 263.724 2.531 20 30 CFEDMM C#C[C@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000848288358 633234674 /nfs/dbraw/zinc/23/46/74/633234674.db2.gz HVXISGRMHMVLAY-JTQLQIEISA-N -1 1 293.750 2.540 20 30 CFEDMM C#CCO[N-]C(=O)CCc1c(Cl)cccc1Cl ZINC000848385411 633246627 /nfs/dbraw/zinc/24/66/27/633246627.db2.gz KSHTUIYAWZDYAL-UHFFFAOYSA-N -1 1 272.131 2.607 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cn(C3CCC3)nn1)O2 ZINC000849242740 633588574 /nfs/dbraw/zinc/58/85/74/633588574.db2.gz APMYVVKUEFUKIR-NSIKDUERSA-N -1 1 297.314 2.633 20 30 CFEDMM Cc1ccc([O-])c(C(=O)/C=C\c2cc3n(n2)CCC3)c1 ZINC000849247928 633590714 /nfs/dbraw/zinc/59/07/14/633590714.db2.gz ZOALGDAKJPAYIO-ALCCZGGFSA-N -1 1 268.316 2.739 20 30 CFEDMM C#CCCCCCC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000854506191 635320362 /nfs/dbraw/zinc/32/03/62/635320362.db2.gz QIHJNNDVSOKECZ-UHFFFAOYSA-N -1 1 286.331 2.974 20 30 CFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)ccc(O)c1[O-] ZINC000857332667 635966825 /nfs/dbraw/zinc/96/68/25/635966825.db2.gz AMOXXLFJBBRIBU-AOOOYVTPSA-N -1 1 277.295 2.560 20 30 CFEDMM Cc1nnc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2[O-])s1 ZINC000866338747 638799019 /nfs/dbraw/zinc/79/90/19/638799019.db2.gz XACIUONWRMLBKL-DTWKUNHWSA-N -1 1 288.376 2.836 20 30 CFEDMM C[C@H](Nc1cnn2c1CCCC2)c1cccc(C#N)c1[O-] ZINC000866461171 638825578 /nfs/dbraw/zinc/82/55/78/638825578.db2.gz QYMUREUVPLWKDW-NSHDSACASA-N -1 1 282.347 2.970 20 30 CFEDMM CN(C(=O)c1c([O-])cccc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000870670716 639761830 /nfs/dbraw/zinc/76/18/30/639761830.db2.gz AJOVCXZSOOABAR-KOLCDFICSA-N -1 1 278.739 2.810 20 30 CFEDMM C#CCCCS(=O)(=O)[N-]c1cccc(SCCC)n1 ZINC000872005937 641546175 /nfs/dbraw/zinc/54/61/75/641546175.db2.gz DQBKUAGWIAUHDO-UHFFFAOYSA-N -1 1 298.433 2.739 20 30 CFEDMM C#CCCCCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872937314 641966907 /nfs/dbraw/zinc/96/69/07/641966907.db2.gz KBEPXRMDJHFNAJ-UHFFFAOYSA-N -1 1 280.755 2.648 20 30 CFEDMM Cc1ccc(C#N)cc1NC(=O)c1cccc(O)c1[O-] ZINC000126129956 642991078 /nfs/dbraw/zinc/99/10/78/642991078.db2.gz UZZAZAUZNAOCRC-UHFFFAOYSA-N -1 1 268.272 2.530 20 30 CFEDMM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccn2)o1 ZINC000128873687 644929460 /nfs/dbraw/zinc/92/94/60/644929460.db2.gz ZUILLEAQXUZNNO-LBPRGKRZSA-N -1 1 297.314 2.507 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2cncs2)c1 ZINC000130116294 645455699 /nfs/dbraw/zinc/45/56/99/645455699.db2.gz OMWJZXGOTNYABT-HWKANZROSA-N -1 1 261.302 2.753 20 30 CFEDMM C#CCCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678615 646735709 /nfs/dbraw/zinc/73/57/09/646735709.db2.gz SSKKPSRFNUCUPB-UHFFFAOYSA-N -1 1 255.676 2.927 20 30 CFEDMM C=CCC(F)(F)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886268564 646941633 /nfs/dbraw/zinc/94/16/33/646941633.db2.gz VBSLFFBKCPMKDY-UHFFFAOYSA-N -1 1 291.244 2.541 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@H]2C2CCCC2)cc1[O-] ZINC000889407203 647563992 /nfs/dbraw/zinc/56/39/92/647563992.db2.gz LDAVNLAKJUQXOM-AWEZNQCLSA-N -1 1 270.332 2.669 20 30 CFEDMM N#Cc1cnc2cc[nH]c(-c3cccc([O-])c3F)c1-2 ZINC001243543783 782265189 /nfs/dbraw/zinc/26/51/89/782265189.db2.gz IOMDZEGRYLVNBO-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM N#Cc1c[nH]c2ccnc(-c3cccc([O-])c3F)c12 ZINC001243543783 782265196 /nfs/dbraw/zinc/26/51/96/782265196.db2.gz IOMDZEGRYLVNBO-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM N#Cc1c[nH]c2cc(-c3cccc([O-])c3F)cnc12 ZINC001243548117 782271413 /nfs/dbraw/zinc/27/14/13/782271413.db2.gz ZTMNPCLRYSYPRA-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC[P@](=O)([O-])O ZINC001224603128 775224634 /nfs/dbraw/zinc/22/46/34/775224634.db2.gz VLWXHXYWUOORMC-WOPDTQHZSA-N -1 1 262.286 2.562 20 30 CFEDMM CC[C@H](C#Cc1ccccc1)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663343 775546881 /nfs/dbraw/zinc/54/68/81/775546881.db2.gz DJDQQXAMHWBBSW-CYBMUJFWSA-N -1 1 298.298 2.905 20 30 CFEDMM CC[C@H](C#Cc1ccccc1)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225663343 775546887 /nfs/dbraw/zinc/54/68/87/775546887.db2.gz DJDQQXAMHWBBSW-CYBMUJFWSA-N -1 1 298.298 2.905 20 30 CFEDMM CC(=O)c1c(O)cc([O-])cc1OC1CCC(C#N)CC1 ZINC001225674045 775552004 /nfs/dbraw/zinc/55/20/04/775552004.db2.gz AYQYMTNQYVDMSE-UHFFFAOYSA-N -1 1 275.304 2.762 20 30 CFEDMM C#C[C@@H](CC(C)C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225674892 775552274 /nfs/dbraw/zinc/55/22/74/775552274.db2.gz NGAZMDUKPXHPLE-LBPRGKRZSA-N -1 1 262.305 2.727 20 30 CFEDMM O=C(c1ccc([O-])cc1)c1ccc(O[C@@H]2C=CC(=O)C2)cc1 ZINC001225808180 775600476 /nfs/dbraw/zinc/60/04/76/775600476.db2.gz LXLICYLSGAZTBY-QGZVFWFLSA-N -1 1 294.306 2.900 20 30 CFEDMM C[C@@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)[C@H](C)S ZINC001226184413 775727963 /nfs/dbraw/zinc/72/79/63/775727963.db2.gz FFNQHUVUJFAVFE-ZJUUUORDSA-N -1 1 276.361 2.935 20 30 CFEDMM CCC[C@@H](C#Cc1ccccc1)Oc1nccc(/C=N/[O-])n1 ZINC001226256693 775757491 /nfs/dbraw/zinc/75/74/91/775757491.db2.gz VFCGZASCONTUEC-HUCUOGIVSA-N -1 1 295.342 2.884 20 30 CFEDMM C=CCOc1ccccc1[C@@H](C)Oc1cnc[n-]c1=O ZINC001227052470 776075970 /nfs/dbraw/zinc/07/59/70/776075970.db2.gz ZRJILSSGIKVOOB-LLVKDONJSA-N -1 1 272.304 2.887 20 30 CFEDMM CC#CC[C@@H](CC)Oc1[n-]c(=O)ncc1Br ZINC001227136547 776110768 /nfs/dbraw/zinc/11/07/68/776110768.db2.gz AJIWSLYMAVMHGB-MRVPVSSYSA-N -1 1 285.141 2.516 20 30 CFEDMM C=C[C@H](CCC)Oc1cc([O-])ccc1C(=O)COC ZINC001227171380 776122454 /nfs/dbraw/zinc/12/24/54/776122454.db2.gz COJJOIRFFUUILA-GFCCVEGCSA-N -1 1 264.321 2.955 20 30 CFEDMM C#C[C@@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227579983 776233574 /nfs/dbraw/zinc/23/35/74/776233574.db2.gz CXISIEVOFKPJCJ-SNVBAGLBSA-N -1 1 292.290 2.568 20 30 CFEDMM CCCCOC[C@H](C)Oc1ccc([O-])c(C#N)c1C#N ZINC001227617207 776245949 /nfs/dbraw/zinc/24/59/49/776245949.db2.gz AVRNYAQYNJDHNA-NSHDSACASA-N -1 1 274.320 2.720 20 30 CFEDMM C[C@H](Oc1ccc([O-])c(C#N)c1C#N)c1ncccc1F ZINC001227617154 776245988 /nfs/dbraw/zinc/24/59/88/776245988.db2.gz ACHJDJNZOZCHPW-VIFPVBQESA-N -1 1 283.262 2.810 20 30 CFEDMM C=C[C@H](Oc1[n-]c(=O)nc2c1COC2)c1ccccc1 ZINC001227686251 776256122 /nfs/dbraw/zinc/25/61/22/776256122.db2.gz KHYDYZUJFARNTD-ZDUSSCGKSA-N -1 1 270.288 2.519 20 30 CFEDMM N#Cc1ccc([O-])cc1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001228006221 776360553 /nfs/dbraw/zinc/36/05/53/776360553.db2.gz YIUMOXBRHOMYIY-OAHLLOKOSA-N -1 1 296.282 2.718 20 30 CFEDMM CSc1nc(O[C@H](C)c2ccccc2C#N)cc(=O)[n-]1 ZINC001228094589 776395991 /nfs/dbraw/zinc/39/59/91/776395991.db2.gz KWGOPVGYWIHKSQ-SECBINFHSA-N -1 1 287.344 2.916 20 30 CFEDMM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228143047 776408099 /nfs/dbraw/zinc/40/80/99/776408099.db2.gz JBGMGLCFBPBCRD-GHMZBOCLSA-N -1 1 291.307 2.770 20 30 CFEDMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CC[C@H](C#N)C1 ZINC001228557729 776522020 /nfs/dbraw/zinc/52/20/20/776522020.db2.gz AUWLYAQZBVPQPD-GXSJLCMTSA-N -1 1 275.304 2.762 20 30 CFEDMM C=C1O[C@@H](C)C(=O)C1Oc1[n-]c(=S)nc2ccccc21 ZINC001228766428 776603424 /nfs/dbraw/zinc/60/34/24/776603424.db2.gz SOOLNUBPAPPQAB-ZETCQYMHSA-N -1 1 288.328 2.517 20 30 CFEDMM C#C[C@@H](CC)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228859638 776636501 /nfs/dbraw/zinc/63/65/01/776636501.db2.gz MKBRTKRZPCMLLR-LURJTMIESA-N -1 1 290.197 2.505 20 30 CFEDMM C=CC(C=C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860914 776638149 /nfs/dbraw/zinc/63/81/49/776638149.db2.gz XWWPQJFYXIXNPX-UHFFFAOYSA-N -1 1 290.197 2.834 20 30 CFEDMM CCOCC(COCC)Oc1ccccc1/C(C)=N/[O-] ZINC001229736791 776883431 /nfs/dbraw/zinc/88/34/31/776883431.db2.gz KPYMIUGWGROBFE-FOWTUZBSSA-N -1 1 281.352 2.705 20 30 CFEDMM C#C[C@@H](C)Oc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231045239 777120611 /nfs/dbraw/zinc/12/06/11/777120611.db2.gz UGDNFQNKXWKSAS-RXMQYKEDSA-N -1 1 256.092 2.665 20 30 CFEDMM C#C[C@@H](C)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231045239 777120609 /nfs/dbraw/zinc/12/06/09/777120609.db2.gz UGDNFQNKXWKSAS-RXMQYKEDSA-N -1 1 256.092 2.665 20 30 CFEDMM C=CCS(=O)(=O)[N-]c1ccc(C#N)cc1C(F)(F)F ZINC000710887539 777137316 /nfs/dbraw/zinc/13/73/16/777137316.db2.gz FMUIMEUSXMIBSF-UHFFFAOYSA-N -1 1 290.266 2.505 20 30 CFEDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C#N)c2ccccc2)n1 ZINC001231260661 777180344 /nfs/dbraw/zinc/18/03/44/777180344.db2.gz VHNHISSOGPAIJS-LBPRGKRZSA-N -1 1 285.259 2.648 20 30 CFEDMM C[C@@]1(C#N)CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231735672 777317825 /nfs/dbraw/zinc/31/78/25/777317825.db2.gz SUXIWVJQQJUNHE-ZDUSSCGKSA-N -1 1 250.729 2.781 20 30 CFEDMM CC1(C#N)CCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232973375 777750090 /nfs/dbraw/zinc/75/00/90/777750090.db2.gz VOYONICMXGZBQE-UHFFFAOYSA-N -1 1 266.291 2.796 20 30 CFEDMM N#CCN(Cc1ccccc1)Cc1cc(Cl)ncc1[O-] ZINC001233035021 777772016 /nfs/dbraw/zinc/77/20/16/777772016.db2.gz WANGJRWUZLPIPW-UHFFFAOYSA-N -1 1 287.750 2.966 20 30 CFEDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)CS ZINC001233495476 777969059 /nfs/dbraw/zinc/96/90/59/777969059.db2.gz GPCKWERJIOBHAM-QMMMGPOBSA-N -1 1 270.350 2.778 20 30 CFEDMM COc1cc(/C=N/[O-])ccc1O[C@@H](C)C(F)(F)F ZINC001233801284 778080665 /nfs/dbraw/zinc/08/06/65/778080665.db2.gz YAQHEDIONSCOCX-CKLBDGOISA-N -1 1 263.215 2.833 20 30 CFEDMM CCC[C@@H](Oc1ccc(/C=N/[O-])cc1OC)C(=O)OCC ZINC001233803497 778082650 /nfs/dbraw/zinc/08/26/50/778082650.db2.gz QICWWTNJBDNXQE-BVTUPMQUSA-N -1 1 295.335 2.614 20 30 CFEDMM C=CC[C@H](C=C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234046079 778151855 /nfs/dbraw/zinc/15/18/55/778151855.db2.gz XXXWIGXUXWWYIP-JTQLQIEISA-N -1 1 272.304 2.859 20 30 CFEDMM C=CCC[C@@H](CC)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234565838 778253835 /nfs/dbraw/zinc/25/38/35/778253835.db2.gz PNZRSKCRVRYFNC-SNVBAGLBSA-N -1 1 293.367 2.528 20 30 CFEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001211923330 778279636 /nfs/dbraw/zinc/27/96/36/778279636.db2.gz YUVRVVPZOOZCGT-LBPRGKRZSA-N -1 1 289.759 2.559 20 30 CFEDMM CCC[C@H](Oc1ccccc1C=N[O-])C(=O)OCC ZINC001234821499 778299956 /nfs/dbraw/zinc/29/99/56/778299956.db2.gz FXQGNPQVJPCWKG-ZDUSSCGKSA-N -1 1 265.309 2.605 20 30 CFEDMM [O-]N=Cc1ccccc1OC[C@@H]1CC[C@@]2(CCCCO2)O1 ZINC001234820842 778301362 /nfs/dbraw/zinc/30/13/62/778301362.db2.gz ZBAAKSONNCEDMN-GOEBONIOSA-N -1 1 291.347 2.949 20 30 CFEDMM CCOC(=O)[C@H](CC(C)C)Oc1ccccc1C=N[O-] ZINC001234819301 778301635 /nfs/dbraw/zinc/30/16/35/778301635.db2.gz KJMPEFYGRNMUSZ-AWEZNQCLSA-N -1 1 279.336 2.851 20 30 CFEDMM COC(=O)[C@H](Cc1ccccc1)Oc1ccccc1C=N[O-] ZINC001234823093 778303020 /nfs/dbraw/zinc/30/30/20/778303020.db2.gz QTQRPZWXZUGBJD-INIZCTEOSA-N -1 1 299.326 2.658 20 30 CFEDMM Cc1nn(C)cc1[C@H](C)Oc1ccccc1C=N[O-] ZINC001234822180 778303896 /nfs/dbraw/zinc/30/38/96/778303896.db2.gz LGUDJBQRMFDXPO-NSHDSACASA-N -1 1 259.309 2.677 20 30 CFEDMM C#C[C@@H]1CCC[C@H]1O/C(=N\[O-])c1cc(F)ccc1F ZINC001223890096 778359876 /nfs/dbraw/zinc/35/98/76/778359876.db2.gz NSTVKMYTLQYZJD-VSEBIEBWSA-N -1 1 265.259 2.919 20 30 CFEDMM C[C@@]1(C(=O)N([O-])C(=N)c2ccccc2N)CC=CCC1 ZINC001142547551 778407619 /nfs/dbraw/zinc/40/76/19/778407619.db2.gz ACPWUZRGXKQMQF-OAHLLOKOSA-N -1 1 273.336 2.558 20 30 CFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccco2)cc1 ZINC000128359660 778505611 /nfs/dbraw/zinc/50/56/11/778505611.db2.gz NQWVRJBBWFGGKR-CYBMUJFWSA-N -1 1 282.299 2.803 20 30 CFEDMM C#C[C@@H](CC(C)C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234476548 779234273 /nfs/dbraw/zinc/23/42/73/779234273.db2.gz MVCUGRATVZRLOU-NSHDSACASA-N -1 1 262.305 2.727 20 30 CFEDMM N#CC[C@@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001238236065 779287535 /nfs/dbraw/zinc/28/75/35/779287535.db2.gz PDKAWWDIZNCNMG-NSHDSACASA-N -1 1 276.311 2.650 20 30 CFEDMM C=CCNC(=O)c1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241118976 780647417 /nfs/dbraw/zinc/64/74/17/780647417.db2.gz AQRWYXXDUAINTM-UHFFFAOYSA-N -1 1 290.269 2.648 20 30 CFEDMM Cc1nnc(-c2c(F)ccc([O-])c2F)c(C#N)c1C ZINC001241291504 780761696 /nfs/dbraw/zinc/76/16/96/780761696.db2.gz NYFVLBZEHBCRLT-UHFFFAOYSA-N -1 1 261.231 2.616 20 30 CFEDMM Cc1cnc(-c2ccc([O-])c(C#N)c2)nc1NC(C)C ZINC001242562072 781600606 /nfs/dbraw/zinc/60/06/06/781600606.db2.gz GLNINWVVYDJHCI-UHFFFAOYSA-N -1 1 268.320 2.850 20 30 CFEDMM CCOC(=O)c1cc(C)cnc1-c1ccc([O-])c(C#N)c1 ZINC001242562866 781601136 /nfs/dbraw/zinc/60/11/36/781601136.db2.gz MACCOWCDEDGJHI-UHFFFAOYSA-N -1 1 282.299 2.811 20 30 CFEDMM N#Cc1cc(-c2cc(-c3ccco3)ncn2)ccc1[O-] ZINC001242563630 781602567 /nfs/dbraw/zinc/60/25/67/781602567.db2.gz UEYSGADNRIAQJD-UHFFFAOYSA-N -1 1 263.256 2.981 20 30 CFEDMM COc1cc(C)c(-c2ccc([O-])c(C#N)c2)c(C)n1 ZINC001242565085 781603175 /nfs/dbraw/zinc/60/31/75/781603175.db2.gz KYMGLJGJLDNSHG-UHFFFAOYSA-N -1 1 254.289 2.951 20 30 CFEDMM N#Cc1cc(-c2cccc3c2NC(=O)CC3)ccc1[O-] ZINC001242565109 781604006 /nfs/dbraw/zinc/60/40/06/781604006.db2.gz LXKQLOFXFUUIIU-UHFFFAOYSA-N -1 1 264.284 2.816 20 30 CFEDMM N#Cc1cc(-c2cccc(-c3nc[nH]n3)c2)ccc1[O-] ZINC001242565366 781604653 /nfs/dbraw/zinc/60/46/53/781604653.db2.gz ZIZJDSYUDXPUHZ-UHFFFAOYSA-N -1 1 262.272 2.716 20 30 CFEDMM COC(=O)c1c(F)cccc1-c1ccc([O-])c(C#N)c1 ZINC001242565704 781604805 /nfs/dbraw/zinc/60/48/05/781604805.db2.gz QUCYZRWKNCDKGT-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM COC(=O)c1noc2cc(-c3ccc([O-])c(C#N)c3)ccc21 ZINC001242565336 781604872 /nfs/dbraw/zinc/60/48/72/781604872.db2.gz XUHABFBQMDWIEJ-UHFFFAOYSA-N -1 1 294.266 2.859 20 30 CFEDMM CCOC(=O)c1cnc(C)c(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565547 781604907 /nfs/dbraw/zinc/60/49/07/781604907.db2.gz JMIIQDGRPZYTJO-UHFFFAOYSA-N -1 1 282.299 2.811 20 30 CFEDMM N#Cc1cc(-c2ccc(N3CCOCC3)cc2F)ccc1[O-] ZINC001242565306 781604917 /nfs/dbraw/zinc/60/49/17/781604917.db2.gz WCRCDLFNBCMYED-UHFFFAOYSA-N -1 1 298.317 2.907 20 30 CFEDMM N#Cc1cc(-c2ccc3c(N)noc3c2)ccc1[O-] ZINC001242565988 781605199 /nfs/dbraw/zinc/60/51/99/781605199.db2.gz ZFZUIIPXKPUYAD-UHFFFAOYSA-N -1 1 251.245 2.654 20 30 CFEDMM N#Cc1cc(Cl)cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001242571900 781609128 /nfs/dbraw/zinc/60/91/28/781609128.db2.gz YNGWYNLFTMQGTF-UHFFFAOYSA-N -1 1 296.713 2.691 20 30 CFEDMM N#CCCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000594543838 349444141 /nfs/dbraw/zinc/44/41/41/349444141.db2.gz IEPZMTCDTRMYGL-UHFFFAOYSA-N -1 1 261.256 2.818 20 30 CFEDMM CCc1nc(SCc2ccncc2C#N)[n-]c(=O)c1C ZINC000594903409 349500141 /nfs/dbraw/zinc/50/01/41/349500141.db2.gz BYRPXZGPTJIDSO-UHFFFAOYSA-N -1 1 286.360 2.612 20 30 CFEDMM N#Cc1[n-]c(=NC2CC(C(F)(F)F)C2)sc1Cl ZINC000596236160 349835450 /nfs/dbraw/zinc/83/54/50/349835450.db2.gz STDXRZJUHPFLED-UHFFFAOYSA-N -1 1 281.690 2.843 20 30 CFEDMM N#CC1(NC(=O)c2ccc(Cl)cc2[O-])CCCC1 ZINC000040217100 346345317 /nfs/dbraw/zinc/34/53/17/346345317.db2.gz BTCNASUHOAZNFJ-UHFFFAOYSA-N -1 1 264.712 2.612 20 30 CFEDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C1CCCCC1 ZINC000588113321 348771799 /nfs/dbraw/zinc/77/17/99/348771799.db2.gz KYDZIVVTLSVPPB-CYBMUJFWSA-N -1 1 296.392 2.788 20 30 CFEDMM C[C@H](N(C)C(=O)c1cc([O-])cc(C#N)c1)C(C)(C)C ZINC000589168293 348815010 /nfs/dbraw/zinc/81/50/10/348815010.db2.gz BSLVTJFBVFFKKA-JTQLQIEISA-N -1 1 260.337 2.770 20 30 CFEDMM COc1cccc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589168303 348815323 /nfs/dbraw/zinc/81/53/23/348815323.db2.gz DDJAIZGBUYRTID-LLVKDONJSA-N -1 1 296.326 2.763 20 30 CFEDMM Cc1cc([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)on1 ZINC000589170119 348815499 /nfs/dbraw/zinc/81/54/99/348815499.db2.gz LUMZISDDPHOBPP-CQSZACIVSA-N -1 1 297.314 2.538 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cc3ccccc3[nH]2)c1 ZINC000589173224 348816513 /nfs/dbraw/zinc/81/65/13/348816513.db2.gz MIXLAGAWCTXPRB-UHFFFAOYSA-N -1 1 291.310 2.675 20 30 CFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCCC1 ZINC000589181305 348817278 /nfs/dbraw/zinc/81/72/78/348817278.db2.gz LMYMSQVYTJCHOH-JTQLQIEISA-N -1 1 258.321 2.572 20 30 CFEDMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589189104 348818383 /nfs/dbraw/zinc/81/83/83/348818383.db2.gz ZUFVXEGVGRZBTB-ZWNOBZJWSA-N -1 1 258.321 2.524 20 30 CFEDMM N#Cc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)n1 ZINC000589368599 348829999 /nfs/dbraw/zinc/82/99/99/348829999.db2.gz ZLDMAZFXQSHDOH-UHFFFAOYSA-N -1 1 282.234 2.515 20 30 CFEDMM CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000589981368 348867254 /nfs/dbraw/zinc/86/72/54/348867254.db2.gz UMSBFOCQKICMAR-ZDUSSCGKSA-N -1 1 298.264 2.833 20 30 CFEDMM CC[C@H]1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000590471210 348902382 /nfs/dbraw/zinc/90/23/82/348902382.db2.gz YJURFJPMNDZWHD-YEORSEQZSA-N -1 1 272.348 2.962 20 30 CFEDMM CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@H]1CC1(C)C ZINC000591321489 349009674 /nfs/dbraw/zinc/00/96/74/349009674.db2.gz RMCBDHGVCXVMIL-ZIAGYGMSSA-N -1 1 272.348 2.818 20 30 CFEDMM N#Cc1ccc(C(=O)NCCCC2CCC2)cc1[O-] ZINC000598219959 350219321 /nfs/dbraw/zinc/21/93/21/350219321.db2.gz WEDBJTZJVUDYPT-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM N#CC1(CNC(=O)c2cc(F)ccc2[O-])CCCCC1 ZINC000598310108 350231835 /nfs/dbraw/zinc/23/18/35/350231835.db2.gz BZPSKNQXGAHGNG-UHFFFAOYSA-N -1 1 276.311 2.735 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC(Cc3ccsc3)C2)cc1[O-] ZINC000598778394 350327798 /nfs/dbraw/zinc/32/77/98/350327798.db2.gz GIZVHRWXXIKILS-UHFFFAOYSA-N -1 1 298.367 2.640 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC(Cc3ccsc3)C2)c1 ZINC000598778258 350328058 /nfs/dbraw/zinc/32/80/58/350328058.db2.gz DTYDWLZFRPROIU-UHFFFAOYSA-N -1 1 298.367 2.640 20 30 CFEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H](C)C1(F)F ZINC000600186447 350534559 /nfs/dbraw/zinc/53/45/59/350534559.db2.gz ZOUHWABVKIPIAH-UWVGGRQHSA-N -1 1 294.301 2.627 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC[C@@H]2CC=CCC2)c1 ZINC000600395434 350552913 /nfs/dbraw/zinc/55/29/13/350552913.db2.gz VDWHXWXFDNJVEV-GFCCVEGCSA-N -1 1 270.332 2.740 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC[C@H]2CC=CCC2)c1 ZINC000600395448 350553026 /nfs/dbraw/zinc/55/30/26/350553026.db2.gz VDWHXWXFDNJVEV-LBPRGKRZSA-N -1 1 270.332 2.740 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC(Cc3cccs3)C2)c1 ZINC000600759646 350606336 /nfs/dbraw/zinc/60/63/36/350606336.db2.gz FMQDCVRFVQRPMB-UHFFFAOYSA-N -1 1 298.367 2.640 20 30 CFEDMM N#CC1(c2nc(-c3ccc([O-])c(F)c3)no2)CC2(CC2)C1 ZINC000601373673 350727829 /nfs/dbraw/zinc/72/78/29/350727829.db2.gz XOOXBKXGGTURJT-UHFFFAOYSA-N -1 1 285.278 2.917 20 30 CFEDMM CC1(C#N)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000601416653 350731764 /nfs/dbraw/zinc/73/17/64/350731764.db2.gz ZMDCOLCTOLAKMA-UHFFFAOYSA-N -1 1 292.766 2.740 20 30 CFEDMM C[C@]1(C#N)CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000601432001 350732292 /nfs/dbraw/zinc/73/22/92/350732292.db2.gz IIFDPARUNOMKIX-OAHLLOKOSA-N -1 1 292.766 2.740 20 30 CFEDMM CCc1c(C)[n-]n(-c2ccc(C#N)c(Cl)c2)c1=O ZINC000601948048 350815255 /nfs/dbraw/zinc/81/52/55/350815255.db2.gz IXHMIQYPZYYMCR-NSHDSACASA-N -1 1 261.712 2.960 20 30 CFEDMM CCCc1c(C)[n-]n(Cc2ccc(C#N)cc2)c1=O ZINC000601948668 350815512 /nfs/dbraw/zinc/81/55/12/350815512.db2.gz XKZIVMKBEVKLCW-CQSZACIVSA-N -1 1 255.321 2.693 20 30 CFEDMM CC(C)c1c(Cc2ccccc2)[n-]n(C[C@H](C)C#N)c1=O ZINC000601932798 350806320 /nfs/dbraw/zinc/80/63/20/350806320.db2.gz NQCJTWHUBNOAMD-CJNGLKHVSA-N -1 1 283.375 2.859 20 30 CFEDMM CCc1c(C(C)C)[n-]n(Cc2ccc(C#N)cc2)c1=O ZINC000601943805 350812845 /nfs/dbraw/zinc/81/28/45/350812845.db2.gz CTCVKXBJHWIBRO-AWEZNQCLSA-N -1 1 269.348 2.939 20 30 CFEDMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1cccc(C#N)c1 ZINC000613884794 352021859 /nfs/dbraw/zinc/02/18/59/352021859.db2.gz HWIFTXJRYJMEEC-SNVBAGLBSA-N -1 1 284.290 2.894 20 30 CFEDMM CN(Cc1cccc(F)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293061 352076446 /nfs/dbraw/zinc/07/64/46/352076446.db2.gz RWWRFNYFQQZZLL-UHFFFAOYSA-N -1 1 284.290 2.675 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc3[nH]ccc32)c1 ZINC000614298710 352077047 /nfs/dbraw/zinc/07/70/47/352077047.db2.gz ZLDGICOBOLVISM-UHFFFAOYSA-N -1 1 277.283 2.997 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000614357302 352084136 /nfs/dbraw/zinc/08/41/36/352084136.db2.gz XUBMCMFTZRZYKH-UHFFFAOYSA-N -1 1 274.226 2.794 20 30 CFEDMM C[C@@H](C1CC1)N(C(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000614365820 352085397 /nfs/dbraw/zinc/08/53/97/352085397.db2.gz ODTYBPSHQPIIMX-JTQLQIEISA-N -1 1 270.332 2.667 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000614370160 352086268 /nfs/dbraw/zinc/08/62/68/352086268.db2.gz VCLZUSQXRKQKTQ-HZPDHXFCSA-N -1 1 284.359 2.962 20 30 CFEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1c(C)noc1C ZINC000616035184 352276595 /nfs/dbraw/zinc/27/65/95/352276595.db2.gz UEZAHVXYRUSTEM-AWEZNQCLSA-N -1 1 299.330 2.750 20 30 CFEDMM CC(C)N(CC1CCC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000618257918 352740646 /nfs/dbraw/zinc/74/06/46/352740646.db2.gz VOTOIHSAHGWRBE-UHFFFAOYSA-N -1 1 272.348 2.915 20 30 CFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccsc1 ZINC000619777770 353065721 /nfs/dbraw/zinc/06/57/21/353065721.db2.gz XIWXCPWDMJNTPO-SECBINFHSA-N -1 1 272.329 2.816 20 30 CFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H]1CCC[C@H](C)C1 ZINC000452086438 243039822 /nfs/dbraw/zinc/03/98/22/243039822.db2.gz XPMJYFVIPOZXCZ-SDDRHHMPSA-N -1 1 296.392 2.644 20 30 CFEDMM C[C@@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000330679431 203107664 /nfs/dbraw/zinc/10/76/64/203107664.db2.gz XPXOGZBJUVANRV-NEPJUHHUSA-N -1 1 296.392 2.646 20 30 CFEDMM N#Cc1c[nH]c2ncc(-c3ccc(F)c([O-])c3)cc12 ZINC001243061484 781963595 /nfs/dbraw/zinc/96/35/95/781963595.db2.gz GJWLIZGERUXQAM-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM C[C@@H]1CC(C(=O)Nc2n[n-]c(C(F)(F)F)n2)C[C@H](C)O1 ZINC000094036985 375337351 /nfs/dbraw/zinc/33/73/51/375337351.db2.gz JCYVTIBFRASTGV-MEKDEQNOSA-N -1 1 292.261 2.615 20 30 CFEDMM C[C@H](CC#N)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000133586913 377941802 /nfs/dbraw/zinc/94/18/02/377941802.db2.gz ADCMIVBVKPYELQ-MRVPVSSYSA-N -1 1 297.152 2.529 20 30 CFEDMM CCN(CC#N)C(=O)c1cc2ccccc2cc1[O-] ZINC000154994532 378606447 /nfs/dbraw/zinc/60/64/47/378606447.db2.gz LEISYJSDEUAWMC-UHFFFAOYSA-N -1 1 254.289 2.531 20 30 CFEDMM C=CC[C@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000160648529 378787862 /nfs/dbraw/zinc/78/78/62/378787862.db2.gz ZOSVNGQOMTWWFA-QMMMGPOBSA-N -1 1 284.153 2.849 20 30 CFEDMM C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC12CCC2 ZINC000335387183 379204862 /nfs/dbraw/zinc/20/48/62/379204862.db2.gz HUQKWQWTSGBMPS-LBPRGKRZSA-N -1 1 284.359 2.916 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000335203023 380001433 /nfs/dbraw/zinc/00/14/33/380001433.db2.gz JELBHEBVQWYBEG-ZETCQYMHSA-N -1 1 294.710 2.662 20 30 CFEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H]1C1CC1 ZINC000336020980 380247818 /nfs/dbraw/zinc/24/78/18/380247818.db2.gz YATJWVNYZKDNDT-CQSZACIVSA-N -1 1 270.332 2.524 20 30 CFEDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000176672631 380262553 /nfs/dbraw/zinc/26/25/53/380262553.db2.gz GWJVBCOAUMPZOS-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336625456 380569217 /nfs/dbraw/zinc/56/92/17/380569217.db2.gz HWEMRDDNTHLGMA-LDYMZIIASA-N -1 1 298.264 2.677 20 30 CFEDMM COC(=O)c1c[n-]c(SCc2ccc(CC#N)cc2)n1 ZINC000432664927 383749022 /nfs/dbraw/zinc/74/90/22/383749022.db2.gz CERFCVUKOUGKTQ-UHFFFAOYSA-N -1 1 287.344 2.555 20 30 CFEDMM C#CCO[N-]C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC000291233542 381716926 /nfs/dbraw/zinc/71/69/26/381716926.db2.gz KNTSTCMTVNCILO-UHFFFAOYSA-N -1 1 287.359 2.665 20 30 CFEDMM COc1ccc(NC(=O)c2cscc2C#N)c([O-])c1 ZINC000349206389 381848153 /nfs/dbraw/zinc/84/81/53/381848153.db2.gz AVKZOTYZJQTRFE-UHFFFAOYSA-N -1 1 274.301 2.586 20 30 CFEDMM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000343890896 382007089 /nfs/dbraw/zinc/00/70/89/382007089.db2.gz VXHVYZHPRWDVRK-UHFFFAOYSA-N -1 1 299.305 2.721 20 30 CFEDMM COC(=O)c1cnc(S[C@@H](C#N)C2CCCCC2)[n-]1 ZINC000187590705 382218078 /nfs/dbraw/zinc/21/80/78/382218078.db2.gz JZRKWOBZKXMJMR-NSHDSACASA-N -1 1 279.365 2.761 20 30 CFEDMM COC(=O)c1c[n-]c(S[C@@H](C#N)C2CCCCC2)n1 ZINC000187590705 382218084 /nfs/dbraw/zinc/21/80/84/382218084.db2.gz JZRKWOBZKXMJMR-NSHDSACASA-N -1 1 279.365 2.761 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2c3ccccc3nn2C)n1 ZINC000357853949 382351767 /nfs/dbraw/zinc/35/17/67/382351767.db2.gz ZBCIEDWVDUFBGP-NSHDSACASA-N -1 1 296.355 2.828 20 30 CFEDMM C[C@@H](Cc1cccs1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188288371 382384362 /nfs/dbraw/zinc/38/43/62/382384362.db2.gz LZZLNULXWRUXSV-JTQLQIEISA-N -1 1 286.356 2.686 20 30 CFEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nccs1 ZINC000188533794 382430360 /nfs/dbraw/zinc/43/03/60/382430360.db2.gz YJAFTOJNTKSGBC-LLVKDONJSA-N -1 1 287.344 2.601 20 30 CFEDMM N#Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1[O-] ZINC000189775711 382640472 /nfs/dbraw/zinc/64/04/72/382640472.db2.gz IUWWRCRHTWJQSU-UHFFFAOYSA-N -1 1 286.718 2.847 20 30 CFEDMM N#Cc1ccc(C(=O)NC2CCCCCC2)cc1[O-] ZINC000189782101 382640480 /nfs/dbraw/zinc/64/04/80/382640480.db2.gz PHNFNWHWTURNFZ-UHFFFAOYSA-N -1 1 258.321 2.716 20 30 CFEDMM N#Cc1ccc(C(=O)NCCCC2CCCC2)cc1[O-] ZINC000190080050 382653020 /nfs/dbraw/zinc/65/30/20/382653020.db2.gz DRJBEODOLAOHBM-UHFFFAOYSA-N -1 1 272.348 2.964 20 30 CFEDMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(C#N)cc1 ZINC000226603722 382830123 /nfs/dbraw/zinc/83/01/23/382830123.db2.gz ADPRCVRCBPHBFT-ZETCQYMHSA-N -1 1 274.217 2.636 20 30 CFEDMM C=CCN(Cc1cccs1)C(=O)c1ncc(C)cc1[O-] ZINC000494917415 382941060 /nfs/dbraw/zinc/94/10/60/382941060.db2.gz AZMHNOONFFEKCL-UHFFFAOYSA-N -1 1 288.372 2.986 20 30 CFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000566006851 383182947 /nfs/dbraw/zinc/18/29/47/383182947.db2.gz SPZKLSIOQQMWLJ-VIFPVBQESA-N -1 1 282.390 2.539 20 30 CFEDMM CC1(C)COc2c1cccc2C([O-])=C(C#N)c1ccncn1 ZINC000521389283 383294738 /nfs/dbraw/zinc/29/47/38/383294738.db2.gz HKANFDACNOYXMM-GFCCVEGCSA-N -1 1 293.326 2.637 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1ccc(SC)cn1 ZINC000427761988 383415566 /nfs/dbraw/zinc/41/55/66/383415566.db2.gz PBOSGGBFAPLEKV-UHFFFAOYSA-N -1 1 272.395 2.511 20 30 CFEDMM C=C(C)CCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000450711810 383483746 /nfs/dbraw/zinc/48/37/46/383483746.db2.gz HUDOCQXFJBACOC-UHFFFAOYSA-N -1 1 284.363 2.661 20 30 CFEDMM N#CC1(C(=O)Nc2cccc(F)c2[O-])CCCCC1 ZINC000530006316 383763281 /nfs/dbraw/zinc/76/32/81/383763281.db2.gz OQVMPWZCTMPRMW-UHFFFAOYSA-N -1 1 262.284 2.944 20 30 CFEDMM C=CCN(Cc1cccs1)[C@@H](C(=O)[O-])C1CC1 ZINC000571054152 383662184 /nfs/dbraw/zinc/66/21/84/383662184.db2.gz QVMGSJLPWJFHEL-GFCCVEGCSA-N -1 1 251.351 2.599 20 30 CFEDMM Cc1oc(C#N)cc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000438257274 383975695 /nfs/dbraw/zinc/97/56/95/383975695.db2.gz LNTYMDUMBVYTIH-UHFFFAOYSA-N -1 1 298.327 2.586 20 30 CFEDMM C=CC[C@@H]1N(C(=O)c2ncccc2[O-])CCCC1(C)C ZINC000278275897 384514842 /nfs/dbraw/zinc/51/48/42/384514842.db2.gz ZHJXEOXRULSDBE-ZDUSSCGKSA-N -1 1 274.364 2.994 20 30 CFEDMM C=CCC(CC=C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000268236627 384575912 /nfs/dbraw/zinc/57/59/12/384575912.db2.gz WJQIBEXZTBXOSV-UHFFFAOYSA-N -1 1 274.246 2.530 20 30 CFEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(F)cc1[O-])OCC ZINC000270297339 385046516 /nfs/dbraw/zinc/04/65/16/385046516.db2.gz BLFOSLUNHRNWPL-CYBMUJFWSA-N -1 1 267.300 2.841 20 30 CFEDMM Cc1ccn(C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000190668896 393581889 /nfs/dbraw/zinc/58/18/89/393581889.db2.gz REYOPCIRCLLJNL-NSHDSACASA-N -1 1 279.299 2.965 20 30 CFEDMM N#CCCCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338409830 393786420 /nfs/dbraw/zinc/78/64/20/393786420.db2.gz NDWPVLYFSSAOBA-UHFFFAOYSA-N -1 1 289.722 2.627 20 30 CFEDMM C=CCN(CC=C)[C@H](CN=c1nc(CC)[n-]s1)C(C)C ZINC000348720623 393957458 /nfs/dbraw/zinc/95/74/58/393957458.db2.gz DHEYNVDDQUNUJX-CYBMUJFWSA-N -1 1 294.468 2.633 20 30 CFEDMM C#CCN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000491394085 394049323 /nfs/dbraw/zinc/04/93/23/394049323.db2.gz LAQSVHYTQVGAAW-UHFFFAOYSA-N -1 1 290.322 2.539 20 30 CFEDMM CCC(CC)CN(CCC#N)C(=O)c1ncccc1[O-] ZINC000126498267 394029761 /nfs/dbraw/zinc/02/97/61/394029761.db2.gz DCLZGADSVAMLBT-UHFFFAOYSA-N -1 1 275.352 2.579 20 30 CFEDMM C=CCN(Cc1ccccc1F)C(=O)c1ncccc1[O-] ZINC000153635215 394287243 /nfs/dbraw/zinc/28/72/43/394287243.db2.gz IWLWDILLPFZFPM-UHFFFAOYSA-N -1 1 286.306 2.755 20 30 CFEDMM N#Cc1ccsc1C(=O)N1CCCc2cccc([O-])c21 ZINC000155650129 394320880 /nfs/dbraw/zinc/32/08/80/394320880.db2.gz QJPFXYPCXBPFJC-UHFFFAOYSA-N -1 1 284.340 2.918 20 30 CFEDMM C[C@H]1CC[C@@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000335524932 300038715 /nfs/dbraw/zinc/03/87/15/300038715.db2.gz WEDZZYRPSLCVPS-GXFFZTMASA-N -1 1 258.321 2.524 20 30 CFEDMM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000408114676 157379681 /nfs/dbraw/zinc/37/96/81/157379681.db2.gz YXICHKZMASQSFG-VXGBXAGGSA-N -1 1 296.392 2.644 20 30 CFEDMM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000007052210 170264434 /nfs/dbraw/zinc/26/44/34/170264434.db2.gz WHDMGXBGJRRRSV-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM Cc1ccc(Cl)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354472570 227005403 /nfs/dbraw/zinc/00/54/03/227005403.db2.gz PCQVOVCGPRUVOU-LBPRGKRZSA-N -1 1 271.707 2.929 20 30 CFEDMM Cc1ccc(Cl)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354472567 227006913 /nfs/dbraw/zinc/00/69/13/227006913.db2.gz PCQVOVCGPRUVOU-GFCCVEGCSA-N -1 1 271.707 2.929 20 30 CFEDMM C[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188391539 262294000 /nfs/dbraw/zinc/29/40/00/262294000.db2.gz QMLJLQHPHLCVII-LLVKDONJSA-N -1 1 258.321 2.526 20 30 CFEDMM CC(C)[C@@H](C#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271908089 263000222 /nfs/dbraw/zinc/00/02/22/263000222.db2.gz CRQAHWKSKPPAAV-SNVBAGLBSA-N -1 1 286.253 2.689 20 30 CFEDMM CS[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC000330802292 264042340 /nfs/dbraw/zinc/04/23/40/264042340.db2.gz HGWODSMEULADHL-JTQLQIEISA-N -1 1 268.382 2.870 20 30 CFEDMM CC[C@H](NC(=O)c1ncc(C)cc1[O-])C1CCOCC1 ZINC000331190127 264157331 /nfs/dbraw/zinc/15/73/31/264157331.db2.gz JZCRDKZWVBKJHM-LBPRGKRZSA-N -1 1 278.352 2.605 20 30 CFEDMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188828864 276597093 /nfs/dbraw/zinc/59/70/93/276597093.db2.gz FRRGUSDVELVKIA-ZWNOBZJWSA-N -1 1 258.321 2.524 20 30 CFEDMM CC(C)[C@@H]1N(C(=O)c2ccc(C#N)c([O-])c2)CC1(C)C ZINC000336019009 280060813 /nfs/dbraw/zinc/06/08/13/280060813.db2.gz KPFLBHBTMZQTER-AWEZNQCLSA-N -1 1 272.348 2.770 20 30 CFEDMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1C ZINC000248985056 281043416 /nfs/dbraw/zinc/04/34/16/281043416.db2.gz WEXXZOUZVPRQRN-SUNKGSAMSA-N -1 1 272.348 2.818 20 30 CFEDMM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561507420 282056518 /nfs/dbraw/zinc/05/65/18/282056518.db2.gz MMJRIVLHFGDBSR-AAEUAGOBSA-N -1 1 296.392 2.788 20 30 CFEDMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188266767 324011868 /nfs/dbraw/zinc/01/18/68/324011868.db2.gz IJGMXBHNKQGMRK-RISCZKNCSA-N -1 1 272.348 2.915 20 30 CFEDMM COc1cc(C(=O)NC[C@@H]2CCCC2=O)cc(Cl)c1[O-] ZINC000331037205 328474741 /nfs/dbraw/zinc/47/47/41/328474741.db2.gz BRZDKXDNCCRTHE-QMMMGPOBSA-N -1 1 297.738 2.728 20 30 CFEDMM Cn1cc([C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)cn1 ZINC000331214487 328478318 /nfs/dbraw/zinc/47/83/18/328478318.db2.gz USTIZTOMAREFCN-CYBMUJFWSA-N -1 1 288.351 2.613 20 30 CFEDMM CC(C)n1cc(/C=C2/Oc3cc([O-])ccc3C2=O)cn1 ZINC000171981771 329082895 /nfs/dbraw/zinc/08/28/95/329082895.db2.gz CYCFZMGBCDLMTL-LHHJGKSTSA-N -1 1 270.288 2.786 20 30 CFEDMM Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000079640088 330050822 /nfs/dbraw/zinc/05/08/22/330050822.db2.gz NYIBQARIVPWPPH-NSHDSACASA-N -1 1 276.299 2.756 20 30 CFEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000437524125 330702201 /nfs/dbraw/zinc/70/22/01/330702201.db2.gz JNMKVASKHFPYEK-IINYFYTJSA-N -1 1 295.766 2.757 20 30 CFEDMM N#CC1(CN=c2[n-]c(-c3cccc(Cl)c3)no2)CC1 ZINC000581978858 336182722 /nfs/dbraw/zinc/18/27/22/336182722.db2.gz SRWASQZAENUBRN-UHFFFAOYSA-N -1 1 274.711 2.528 20 30 CFEDMM N#CC1(CN=c2nc(-c3cccc(Cl)c3)[n-]o2)CC1 ZINC000581978858 336182724 /nfs/dbraw/zinc/18/27/24/336182724.db2.gz SRWASQZAENUBRN-UHFFFAOYSA-N -1 1 274.711 2.528 20 30 CFEDMM Cc1cc(Cl)cc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354476168 533770399 /nfs/dbraw/zinc/77/03/99/533770399.db2.gz YTMADJUTOFLOKZ-GFCCVEGCSA-N -1 1 271.707 2.929 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H](C2CC2)C2CCC2)cc1[O-] ZINC000569904008 518196520 /nfs/dbraw/zinc/19/65/20/518196520.db2.gz VSVUWSVLASMNNW-HNNXBMFYSA-N -1 1 270.332 2.572 20 30 CFEDMM CC1(C)CCC[C@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000360848070 520360564 /nfs/dbraw/zinc/36/05/64/520360564.db2.gz GSFKFRLJUNMIAA-ZDUSSCGKSA-N -1 1 272.348 2.820 20 30 CFEDMM CC[C@@]1(C)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000336344518 523713370 /nfs/dbraw/zinc/71/33/70/523713370.db2.gz ZCBVAUQHBDDNBG-HNNXBMFYSA-N -1 1 258.321 2.526 20 30 CFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)ccc1C#N ZINC000235893471 525419915 /nfs/dbraw/zinc/41/99/15/525419915.db2.gz MQPUPASYUSYOIW-UHFFFAOYSA-N -1 1 297.339 2.539 20 30 CFEDMM Cc1ccsc1CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000336128491 525839413 /nfs/dbraw/zinc/83/94/13/525839413.db2.gz LEAUVSCQVRLYBY-UHFFFAOYSA-N -1 1 286.356 2.906 20 30 CFEDMM C=CCC[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000756387849 574099840 /nfs/dbraw/zinc/09/98/40/574099840.db2.gz MQXFODRNTUVWTM-ZDUSSCGKSA-N -1 1 259.305 2.942 20 30 CFEDMM CCc1ccc(C=NNc2nc(C)cc(=O)[n-]2)s1 ZINC000731151778 574110943 /nfs/dbraw/zinc/11/09/43/574110943.db2.gz NOIZGWQFGLMJSW-UHFFFAOYSA-N -1 1 262.338 2.561 20 30 CFEDMM CN(Cc1ccc(F)cc1C#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737472369 574144009 /nfs/dbraw/zinc/14/40/09/574144009.db2.gz OWOUYTLSDGFHKT-MRXNPFEDSA-N -1 1 298.317 2.955 20 30 CFEDMM C#Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)nc1 ZINC000732309276 574151311 /nfs/dbraw/zinc/15/13/11/574151311.db2.gz NJELZVNHDGKSQG-UHFFFAOYSA-N -1 1 272.691 2.674 20 30 CFEDMM C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000738217296 574160083 /nfs/dbraw/zinc/16/00/83/574160083.db2.gz VXPOMBJKBXUQKO-PLXUTZOBSA-N -1 1 262.092 2.591 20 30 CFEDMM [O-]c1c(F)cccc1C=NNCc1ccc(F)c(F)c1 ZINC000755657700 574175609 /nfs/dbraw/zinc/17/56/09/574175609.db2.gz QJEGGOWVWQKKSQ-UHFFFAOYSA-N -1 1 280.249 2.933 20 30 CFEDMM N#CC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000739067053 574196119 /nfs/dbraw/zinc/19/61/19/574196119.db2.gz VRKGIBJRBIXETH-CYBMUJFWSA-N -1 1 278.739 2.701 20 30 CFEDMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(C#N)c1 ZINC000749414973 574294746 /nfs/dbraw/zinc/29/47/46/574294746.db2.gz YJLOCUQYTAASBL-SSDOTTSWSA-N -1 1 274.217 2.636 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCc3c2c(F)ccc3F)n1 ZINC000749604480 574301928 /nfs/dbraw/zinc/30/19/28/574301928.db2.gz WJUCPQFIZWACKT-UHFFFAOYSA-N -1 1 290.273 2.531 20 30 CFEDMM CC1(C)CCCC1=NNc1cnnc([O-])c1Cl ZINC000749860310 574313033 /nfs/dbraw/zinc/31/30/33/574313033.db2.gz XGVNRIWNBSSRRT-UHFFFAOYSA-N -1 1 254.721 2.814 20 30 CFEDMM [O-]c1c(Cl)cc(Cl)cc1C=NNc1cccnn1 ZINC000735976991 574346162 /nfs/dbraw/zinc/34/61/62/574346162.db2.gz OHUTXZVNVBZVCY-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM C=CCCCN(C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736102475 574350330 /nfs/dbraw/zinc/35/03/30/574350330.db2.gz JSDRYOITOVMMRX-GFCCVEGCSA-N -1 1 292.379 2.799 20 30 CFEDMM C#CCOc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000751068078 574369078 /nfs/dbraw/zinc/36/90/78/574369078.db2.gz HXCUYJDVFHDUPG-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM O=C([O-])c1occc1/C=C\C(=O)c1ccc(O)c(F)c1 ZINC000739214628 574376886 /nfs/dbraw/zinc/37/68/86/574376886.db2.gz FZQXGAHZFDIRNA-IWQZZHSRSA-N -1 1 276.219 2.719 20 30 CFEDMM C#CCOc1ccccc1CNCc1cccc(C(=O)[O-])c1 ZINC000819706050 598194048 /nfs/dbraw/zinc/19/40/48/598194048.db2.gz KTXKWOWKQZVNKV-UHFFFAOYSA-N -1 1 295.338 2.687 20 30 CFEDMM Cc1ccc(N=NCc2ccc(C(=O)[O-])cc2)nc1 ZINC000727263094 600055483 /nfs/dbraw/zinc/05/54/83/600055483.db2.gz MTJLFIKSUQRFTI-UHFFFAOYSA-N -1 1 255.277 2.534 20 30 CFEDMM CCC(CC)CN(C/C=C(/C)C(=O)[O-])CCC#N ZINC000828858911 601176962 /nfs/dbraw/zinc/17/69/62/601176962.db2.gz GIILNYBNRASXLO-GHXNOFRVSA-N -1 1 252.358 2.669 20 30 CFEDMM Cc1cccc(F)c1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832969794 601306154 /nfs/dbraw/zinc/30/61/54/601306154.db2.gz PWLZMYIUXWYLIK-INIZCTEOSA-N -1 1 298.317 2.921 20 30 CFEDMM O=C([O-])CC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000833214558 601413888 /nfs/dbraw/zinc/41/38/88/601413888.db2.gz OHAMIBDXIWAKKW-UHFFFAOYSA-N -1 1 291.778 2.878 20 30 CFEDMM COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c(O)c1 ZINC000229802055 601825648 /nfs/dbraw/zinc/82/56/48/601825648.db2.gz XDMXZBNIOIWILE-WTKPLQERSA-N -1 1 298.294 2.995 20 30 CFEDMM CC(C)[C@@H](CCN(C)Cc1ccccc1C#N)NC(=O)[O-] ZINC000824104321 603823694 /nfs/dbraw/zinc/82/36/94/603823694.db2.gz DXLCNBCAYBUMAF-OAHLLOKOSA-N -1 1 289.379 2.672 20 30 CFEDMM C[C@@H]1CCCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833615583 604602058 /nfs/dbraw/zinc/60/20/58/604602058.db2.gz OTZSFSXFYJTZTM-LLVKDONJSA-N -1 1 258.321 2.631 20 30 CFEDMM CC(=NNc1nc(=O)cc(C)[nH]1)[C@@H](C)CCCCC(=O)[O-] ZINC000814681314 604632197 /nfs/dbraw/zinc/63/21/97/604632197.db2.gz GHNPVBDULDAFOR-VIFPVBQESA-N -1 1 294.355 2.560 20 30 CFEDMM CC(C)CN(CCC#N)Cc1ccccc1CC(=O)[O-] ZINC000167677823 605067804 /nfs/dbraw/zinc/06/78/04/605067804.db2.gz OYOYZFKEVMNYTD-UHFFFAOYSA-N -1 1 274.364 2.685 20 30 CFEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(O)cc1 ZINC000812443882 605098856 /nfs/dbraw/zinc/09/88/56/605098856.db2.gz ZXVCUFMKJXTVGI-UHFFFAOYSA-N -1 1 270.288 2.927 20 30 CFEDMM C#CC[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000833360811 605133950 /nfs/dbraw/zinc/13/39/50/605133950.db2.gz OWHXYCSCRNCNKY-CQSZACIVSA-N -1 1 269.300 2.832 20 30 CFEDMM O=C([O-])Nc1ncccc1CN=Nc1cc(Cl)ccn1 ZINC000834283203 605391220 /nfs/dbraw/zinc/39/12/20/605391220.db2.gz LJMURGWJIPMPOB-UHFFFAOYSA-N -1 1 291.698 2.666 20 30 CFEDMM CC(C)C[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000900510113 620684347 /nfs/dbraw/zinc/68/43/47/620684347.db2.gz VYNFATSPVQDUAX-GFCCVEGCSA-N -1 1 291.301 2.705 20 30 CFEDMM CC(CC1CC1)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000820232115 606766649 /nfs/dbraw/zinc/76/66/49/606766649.db2.gz DKIYGTBEALAQOT-UHFFFAOYSA-N -1 1 289.343 2.566 20 30 CFEDMM C=CCCC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823894810 608332846 /nfs/dbraw/zinc/33/28/46/608332846.db2.gz XKLOZAZJMJDMDL-VIFPVBQESA-N -1 1 292.364 2.830 20 30 CFEDMM C=CCCC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823894810 608332847 /nfs/dbraw/zinc/33/28/47/608332847.db2.gz XKLOZAZJMJDMDL-VIFPVBQESA-N -1 1 292.364 2.830 20 30 CFEDMM CCCCCCCCCn1ccnc1-c1nnn[n-]1 ZINC000825271746 608889523 /nfs/dbraw/zinc/88/95/23/608889523.db2.gz NLYSUUGJXIKSKB-UHFFFAOYSA-N -1 1 262.361 2.814 20 30 CFEDMM CCCCCCCCCn1ccnc1-c1nn[n-]n1 ZINC000825271746 608889526 /nfs/dbraw/zinc/88/95/26/608889526.db2.gz NLYSUUGJXIKSKB-UHFFFAOYSA-N -1 1 262.361 2.814 20 30 CFEDMM CC[C@](C)(C#N)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759517 617836894 /nfs/dbraw/zinc/83/68/94/617836894.db2.gz MHSJVOUUEDPDPK-CYBMUJFWSA-N -1 1 266.728 2.602 20 30 CFEDMM C#C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000890647351 617732593 /nfs/dbraw/zinc/73/25/93/617732593.db2.gz FVEFLVAOQZKJBK-LLVKDONJSA-N -1 1 263.724 2.674 20 30 CFEDMM C[C@@H]1CC(NN=Cc2cc(F)cc(F)c2[O-])C[C@@H](C)O1 ZINC000901300740 620779528 /nfs/dbraw/zinc/77/95/28/620779528.db2.gz TWLNHAQSGSZREH-RKDXNWHRSA-N -1 1 284.306 2.550 20 30 CFEDMM CC[C@H]1CC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)O1 ZINC000901372864 620797897 /nfs/dbraw/zinc/79/78/97/620797897.db2.gz OKFAWRIUVOUBSV-QWHCGFSZSA-N -1 1 267.300 2.501 20 30 CFEDMM O=C(COc1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC000901378091 620798886 /nfs/dbraw/zinc/79/88/86/620798886.db2.gz CEUXEZPCQYVZDI-UHFFFAOYSA-N -1 1 275.279 2.623 20 30 CFEDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1cc(O)ccc1[O-] ZINC000211775382 618487970 /nfs/dbraw/zinc/48/79/70/618487970.db2.gz CSWMHNUORHHJQY-CLTKARDFSA-N -1 1 285.255 2.902 20 30 CFEDMM C=C(C)C[C@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000194587200 618937824 /nfs/dbraw/zinc/93/78/24/618937824.db2.gz USMRARYAXLNOEX-QMMMGPOBSA-N -1 1 254.717 2.981 20 30 CFEDMM CC(=CC(=O)Nc1nnn[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000198341933 618970576 /nfs/dbraw/zinc/97/05/76/618970576.db2.gz BIEIFXMCUUJPQK-MBXJOHMKSA-N -1 1 287.367 2.950 20 30 CFEDMM CC(=CC(=O)Nc1nn[n-]n1)C12CC3CC(CC(C3)C1)C2 ZINC000198341933 618970579 /nfs/dbraw/zinc/97/05/79/618970579.db2.gz BIEIFXMCUUJPQK-MBXJOHMKSA-N -1 1 287.367 2.950 20 30 CFEDMM CC(=CC(=O)Nc1nnn[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000198341924 618970715 /nfs/dbraw/zinc/97/07/15/618970715.db2.gz BIEIFXMCUUJPQK-XNWCZRBMSA-N -1 1 287.367 2.950 20 30 CFEDMM CC(=CC(=O)Nc1nn[n-]n1)C12CC3CC(CC(C3)C1)C2 ZINC000198341924 618970717 /nfs/dbraw/zinc/97/07/17/618970717.db2.gz BIEIFXMCUUJPQK-XNWCZRBMSA-N -1 1 287.367 2.950 20 30 CFEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895857688 619624038 /nfs/dbraw/zinc/62/40/38/619624038.db2.gz DTOFMEGEDKULDQ-LLVKDONJSA-N -1 1 298.342 2.873 20 30 CFEDMM CC(C)(C)c1coc(NC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000898301783 620368411 /nfs/dbraw/zinc/36/84/11/620368411.db2.gz JBTGQGWKLYKXQH-UHFFFAOYSA-N -1 1 285.303 2.802 20 30 CFEDMM CCn1ncc(/C=C\C(=O)c2c(C)cc(C)cc2[O-])n1 ZINC000901505225 620838975 /nfs/dbraw/zinc/83/89/75/620838975.db2.gz ULSSBCSJVWSKKQ-WAYWQWQTSA-N -1 1 271.320 2.517 20 30 CFEDMM C=C(C)C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000901680134 620891570 /nfs/dbraw/zinc/89/15/70/620891570.db2.gz UGMIGKWIUFBUDY-DRZSPHRISA-N -1 1 263.337 2.912 20 30 CFEDMM C=C(C)C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000901680137 620891635 /nfs/dbraw/zinc/89/16/35/620891635.db2.gz UGMIGKWIUFBUDY-WXHSDQCUSA-N -1 1 263.337 2.912 20 30 CFEDMM C=C(C)CN(C)Cc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000902487275 621112221 /nfs/dbraw/zinc/11/22/21/621112221.db2.gz AVFZOMUTDGOWMY-UHFFFAOYSA-N -1 1 285.347 2.578 20 30 CFEDMM C=CC1(CC(=O)N=c2ccnc3n(C)[n-]cc2-3)CCCCC1 ZINC000904940051 621677115 /nfs/dbraw/zinc/67/71/15/621677115.db2.gz KFERSXDTMNFRGN-UHFFFAOYSA-N -1 1 298.390 2.807 20 30 CFEDMM CC#CCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909985514 622379612 /nfs/dbraw/zinc/37/96/12/622379612.db2.gz KDHBYBNDIFYEJT-UHFFFAOYSA-N -1 1 253.248 2.803 20 30 CFEDMM C=C[C@@](C)(CCOC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985973 622379774 /nfs/dbraw/zinc/37/97/74/622379774.db2.gz VTWSEQDKLGUXLO-AWEZNQCLSA-N -1 1 285.290 2.838 20 30 CFEDMM N#C[C@H]1CC[C@@H](NC(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000911289379 622517459 /nfs/dbraw/zinc/51/74/59/622517459.db2.gz ZHGNYMODOAMPSY-VHSXEESVSA-N -1 1 299.305 2.502 20 30 CFEDMM CCCCCCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000912971662 622815459 /nfs/dbraw/zinc/81/54/59/622815459.db2.gz OVTUNPBENNNALK-UHFFFAOYSA-N -1 1 277.368 2.760 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCCCC2CC2)c1 ZINC000825670597 623735850 /nfs/dbraw/zinc/73/58/50/623735850.db2.gz WCWWNKMBELVWER-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM C=CC[N@H+](C/C=C(\C)C(=O)[O-])Cc1cccs1 ZINC000825682297 623739232 /nfs/dbraw/zinc/73/92/32/623739232.db2.gz WQYFITMTOSWHBD-IZZDOVSWSA-N -1 1 251.351 2.767 20 30 CFEDMM C=CCN(C/C=C(\C)C(=O)[O-])Cc1cccs1 ZINC000825682297 623739238 /nfs/dbraw/zinc/73/92/38/623739238.db2.gz WQYFITMTOSWHBD-IZZDOVSWSA-N -1 1 251.351 2.767 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(C)ccc1F ZINC000763340932 623952012 /nfs/dbraw/zinc/95/20/12/623952012.db2.gz ZEJOVSHMPUIGBF-UHFFFAOYSA-N -1 1 274.299 2.774 20 30 CFEDMM C=CCOc1cccc(C=NNc2nc(C)cc(=O)[n-]2)c1 ZINC000916241438 624229428 /nfs/dbraw/zinc/22/94/28/624229428.db2.gz BLKUMVSMCBHJDO-UHFFFAOYSA-N -1 1 284.319 2.501 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(Cl)c(F)c2)n1 ZINC000921255350 624826753 /nfs/dbraw/zinc/82/67/53/624826753.db2.gz ZGEBJBVUCNVBAR-UHFFFAOYSA-N -1 1 280.690 2.729 20 30 CFEDMM Cc1cc(C)cc(C=NNc2nc(C)cc(=O)[n-]2)c1 ZINC000921253104 624827463 /nfs/dbraw/zinc/82/74/63/624827463.db2.gz IPVQYCUUWHSVJA-UHFFFAOYSA-N -1 1 256.309 2.553 20 30 CFEDMM C#C[C@@H](CCC)NC(=O)c1cc(Cl)ccc1[O-] ZINC000233294518 624931975 /nfs/dbraw/zinc/93/19/75/624931975.db2.gz NKQIBUIGWABDBY-JTQLQIEISA-N -1 1 251.713 2.577 20 30 CFEDMM C#C[C@H](CCC)NC(=O)c1ccc(Cl)cc1[O-] ZINC000233358173 624940481 /nfs/dbraw/zinc/94/04/81/624940481.db2.gz FMNUIWUJWKSWPN-SNVBAGLBSA-N -1 1 251.713 2.577 20 30 CFEDMM C#CC(C)(C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000070118548 625269860 /nfs/dbraw/zinc/26/98/60/625269860.db2.gz HEKHXMPCGLBVIM-UHFFFAOYSA-N -1 1 253.301 2.687 20 30 CFEDMM N#CC1(C(=O)NCc2ccc([O-])c(Cl)c2)CC2(CC2)C1 ZINC000834818944 625879305 /nfs/dbraw/zinc/87/93/05/625879305.db2.gz RUNPIDUDGDIKQJ-UHFFFAOYSA-N -1 1 290.750 2.746 20 30 CFEDMM CCOC(=O)C(C)(C)ON=Cc1cccc([O-])c1Cl ZINC000835007670 625954421 /nfs/dbraw/zinc/95/44/21/625954421.db2.gz VGKAJFWRHDHOAI-UHFFFAOYSA-N -1 1 285.727 2.738 20 30 CFEDMM C=CCOc1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000106695283 626071551 /nfs/dbraw/zinc/07/15/51/626071551.db2.gz ZLITVODRAJDWIP-FLIBITNWSA-N -1 1 261.302 2.575 20 30 CFEDMM COc1c([O-])c(C=NNC2CCCCC2)ccc1[N+](=O)[O-] ZINC000773071862 626099011 /nfs/dbraw/zinc/09/90/11/626099011.db2.gz CPLMIXKONQWJPY-UHFFFAOYSA-N -1 1 293.323 2.565 20 30 CFEDMM CC(C)(C)c1noc(CN=Nc2ccccc2C(=O)[O-])n1 ZINC000758095817 626576157 /nfs/dbraw/zinc/57/61/57/626576157.db2.gz IGBBJVWMAVOVLJ-UHFFFAOYSA-N -1 1 288.307 2.511 20 30 CFEDMM COC(=O)c1coc(/C=C2/CCc3cc([O-])ccc3C2=O)c1 ZINC000763174214 626968703 /nfs/dbraw/zinc/96/87/03/626968703.db2.gz HQWNLEDOEADFQF-XFFZJAGNSA-N -1 1 298.294 2.984 20 30 CFEDMM COc1ccc2oc(C=NNc3nc(C)cc(=O)[n-]3)cc2c1 ZINC000763337070 626980803 /nfs/dbraw/zinc/98/08/03/626980803.db2.gz CYFPSCJNRMASDT-UHFFFAOYSA-N -1 1 298.302 2.691 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2cc(F)cc(F)c2)nc1 ZINC000763372014 626983694 /nfs/dbraw/zinc/98/36/94/626983694.db2.gz PAZLDDCLGSDGAF-UHFFFAOYSA-N -1 1 277.230 2.504 20 30 CFEDMM CC(C)c1ncc(C=NNc2ccc(C(=O)[O-])cn2)s1 ZINC000763371605 626983827 /nfs/dbraw/zinc/98/38/27/626983827.db2.gz FXBVLNKKDPWZLY-UHFFFAOYSA-N -1 1 290.348 2.806 20 30 CFEDMM CC(N=Nc1ccc(F)cn1)c1cccc(C(=O)[O-])c1 ZINC000764685534 627084567 /nfs/dbraw/zinc/08/45/67/627084567.db2.gz ALOUXCFQILYNKO-UHFFFAOYSA-N -1 1 273.267 2.755 20 30 CFEDMM O=C([O-])c1ccc2c(C=NNc3ccccc3)n[nH]c2c1 ZINC000765542810 627146211 /nfs/dbraw/zinc/14/62/11/627146211.db2.gz JMGLONXVIIJCQB-UHFFFAOYSA-N -1 1 280.287 2.707 20 30 CFEDMM [O-]c1ccc(C=NNCC(F)(F)F)cc1Cl ZINC000769825750 627479481 /nfs/dbraw/zinc/47/94/81/627479481.db2.gz VJAQQABJROYENO-UHFFFAOYSA-N -1 1 252.623 2.531 20 30 CFEDMM CC(=NNCc1ccc(C#N)cc1)c1ccc(F)cc1[O-] ZINC000769820350 627477737 /nfs/dbraw/zinc/47/77/37/627477737.db2.gz DBZSMOVUZYQQSD-UHFFFAOYSA-N -1 1 283.306 2.917 20 30 CFEDMM COC(=O)c1ccc([O-])c(C=NOC2CCCCC2)c1 ZINC000777458543 628227794 /nfs/dbraw/zinc/22/77/94/628227794.db2.gz JDCONSPMERRTFB-UHFFFAOYSA-N -1 1 277.320 2.862 20 30 CFEDMM COC(=O)c1occc1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000780188472 628438020 /nfs/dbraw/zinc/43/80/20/628438020.db2.gz RYDXPWMOATWWPF-WDZFZDKYSA-N -1 1 284.267 2.594 20 30 CFEDMM COc1ccc(NN=Cc2ccc([O-])c(Cl)c2)nc1 ZINC000780274543 628449123 /nfs/dbraw/zinc/44/91/23/628449123.db2.gz FEVSYXNOCYSWJK-UHFFFAOYSA-N -1 1 277.711 2.895 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(N)cc1Cl ZINC000782894070 628661915 /nfs/dbraw/zinc/66/19/15/628661915.db2.gz SQIRUNZDFRYOLK-UHFFFAOYSA-N -1 1 291.742 2.562 20 30 CFEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C3=CCCCC3)nc1-2 ZINC000783100256 628674498 /nfs/dbraw/zinc/67/44/98/628674498.db2.gz WKYGPCUBFDXYEQ-GFCCVEGCSA-N -1 1 280.331 2.943 20 30 CFEDMM C=CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccncc1 ZINC000785416335 628880881 /nfs/dbraw/zinc/88/08/81/628880881.db2.gz ZOODJGHDHWZXPE-OAHLLOKOSA-N -1 1 293.326 2.706 20 30 CFEDMM Cc1ccc(N(CCC#N)C(=O)c2cncc([O-])c2)cc1 ZINC000786002210 628929778 /nfs/dbraw/zinc/92/97/78/628929778.db2.gz JRXWSKNFIYBKEL-UHFFFAOYSA-N -1 1 281.315 2.656 20 30 CFEDMM CC(=NNCCc1ccccn1)c1cc(F)cc(F)c1[O-] ZINC000789104450 629127292 /nfs/dbraw/zinc/12/72/92/629127292.db2.gz DVBMQKIVQKIOBX-UHFFFAOYSA-N -1 1 291.301 2.622 20 30 CFEDMM COc1cccc2c1CCCC2=NNc1nc(C)cc(=O)[n-]1 ZINC000799462285 630311064 /nfs/dbraw/zinc/31/10/64/630311064.db2.gz MDIBOKWMINRRIN-UHFFFAOYSA-N -1 1 298.346 2.652 20 30 CFEDMM COc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])ccc1C#N ZINC000799496979 630315684 /nfs/dbraw/zinc/31/56/84/630315684.db2.gz BXGKIHWNQVXCPM-ZZXKWVIFSA-N -1 1 295.294 2.874 20 30 CFEDMM C=C(C)CCOC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000803321094 630601697 /nfs/dbraw/zinc/60/16/97/630601697.db2.gz FUWUSKGLZNHERE-UHFFFAOYSA-N -1 1 297.376 2.571 20 30 CFEDMM C#CC[C@@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1F ZINC000804453839 630683315 /nfs/dbraw/zinc/68/33/15/630683315.db2.gz KFZSRRNLOZCOAE-AWEZNQCLSA-N -1 1 297.329 2.896 20 30 CFEDMM C#C[C@@H](NC(=O)c1c([O-])cccc1Cl)C(C)(C)C ZINC000807881308 630918017 /nfs/dbraw/zinc/91/80/17/630918017.db2.gz GGMXJZMYUMDUNK-LLVKDONJSA-N -1 1 265.740 2.823 20 30 CFEDMM Cc1cc(/C=C2/CCc3cc([O-])ccc3C2=O)nn1C ZINC000840716043 631176328 /nfs/dbraw/zinc/17/63/28/631176328.db2.gz GHOPTQRUCJMRAZ-WQLSENKSSA-N -1 1 268.316 2.647 20 30 CFEDMM Cc1cc(/C=C2\CCc3cc([O-])ccc3C2=O)nn1C ZINC000840716046 631176545 /nfs/dbraw/zinc/17/65/45/631176545.db2.gz GHOPTQRUCJMRAZ-XYOKQWHBSA-N -1 1 268.316 2.647 20 30 CFEDMM C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)C(C)(C)C ZINC000809679395 631260126 /nfs/dbraw/zinc/26/01/26/631260126.db2.gz FTEGUJMCJOULGS-SNVBAGLBSA-N -1 1 260.337 2.676 20 30 CFEDMM COc1c(O)cccc1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000810238175 631347678 /nfs/dbraw/zinc/34/76/78/631347678.db2.gz NUTKHYALHSMWEY-VGOFMYFVSA-N -1 1 284.267 2.723 20 30 CFEDMM CC[C@H](C)NN=Cc1cccc([O-])c1Br ZINC000841637144 631439741 /nfs/dbraw/zinc/43/97/41/631439741.db2.gz GTYXMMXBFOYIDR-QMMMGPOBSA-N -1 1 271.158 2.877 20 30 CFEDMM C#C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(C)(C)C ZINC000867272202 631471990 /nfs/dbraw/zinc/47/19/90/631471990.db2.gz VNDAZKYSJRDSTQ-VIFPVBQESA-N -1 1 291.319 2.543 20 30 CFEDMM Cn1cc(/C=C2\Oc3cc([O-])ccc3C2=O)c(C(F)F)n1 ZINC000812241560 631677624 /nfs/dbraw/zinc/67/76/24/631677624.db2.gz JNESALLSJKRRKS-WCIBSUBMSA-N -1 1 292.241 2.680 20 30 CFEDMM C#C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000812753414 631767783 /nfs/dbraw/zinc/76/77/83/631767783.db2.gz IULSRTHDDRATKZ-MRXNPFEDSA-N -1 1 294.285 2.507 20 30 CFEDMM CC(C)(C)NC(=S)NN=Cc1cccc([O-])c1Cl ZINC000814750469 632117247 /nfs/dbraw/zinc/11/72/47/632117247.db2.gz NXMDJYGQDHXFGX-UHFFFAOYSA-N -1 1 285.800 2.642 20 30 CFEDMM Cc1ccc(N=NCc2cccc([O-])c2Cl)nn1 ZINC000814840642 632136327 /nfs/dbraw/zinc/13/63/27/632136327.db2.gz OYMKDKDTGXDSGP-UHFFFAOYSA-N -1 1 262.700 2.590 20 30 CFEDMM Cc1cc(N=NCc2cccc([O-])c2Cl)ncn1 ZINC000814846157 632137266 /nfs/dbraw/zinc/13/72/66/632137266.db2.gz IDCICNXXBVYXML-UHFFFAOYSA-N -1 1 262.700 2.590 20 30 CFEDMM [O-]c1cccc(C=NO[C@@H]2CCCCO2)c1Cl ZINC000814886957 632149202 /nfs/dbraw/zinc/14/92/02/632149202.db2.gz DDGANGPZQZSODO-LLVKDONJSA-N -1 1 255.701 2.923 20 30 CFEDMM CC(C)OCCNN=Cc1cc(Cl)c(F)cc1[O-] ZINC000814896562 632153321 /nfs/dbraw/zinc/15/33/21/632153321.db2.gz BPFJOPXTZXFUFI-UHFFFAOYSA-N -1 1 274.723 2.533 20 30 CFEDMM [O-]c1cccc(CN=Nc2nc3ccccn3n2)c1Cl ZINC000814911305 632160906 /nfs/dbraw/zinc/16/09/06/632160906.db2.gz AOCMZNLTOWYIDF-UHFFFAOYSA-N -1 1 287.710 2.534 20 30 CFEDMM [O-]c1cccc(C=NN[C@@H](CO)c2ccccc2)c1Cl ZINC000814920066 632165136 /nfs/dbraw/zinc/16/51/36/632165136.db2.gz YZRZPYMINGERQH-ZDUSSCGKSA-N -1 1 290.750 2.703 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1c(C)oc2ccccc21 ZINC000846548456 632736430 /nfs/dbraw/zinc/73/64/30/632736430.db2.gz JZIGIYZTUXGVDX-JTQLQIEISA-N -1 1 259.305 2.906 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846583543 632751172 /nfs/dbraw/zinc/75/11/72/632751172.db2.gz SGHFJDVIMUKKRJ-CQSZACIVSA-N -1 1 292.285 2.525 20 30 CFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OC)s1 ZINC000819070772 632951960 /nfs/dbraw/zinc/95/19/60/632951960.db2.gz ZJYCGNJASAOYQK-UHFFFAOYSA-N -1 1 292.813 2.516 20 30 CFEDMM N#Cc1ccc(C(=O)NCC[C@@H]2CC2(Cl)Cl)cc1[O-] ZINC000857379554 635971503 /nfs/dbraw/zinc/97/15/03/635971503.db2.gz AGPNGKANTSLFTI-SNVBAGLBSA-N -1 1 299.157 2.578 20 30 CFEDMM [O-]c1cc(Br)ccc1C=NOCC1CC1 ZINC000853349179 634979916 /nfs/dbraw/zinc/97/99/16/634979916.db2.gz SJQGHNRNJBDTGK-UHFFFAOYSA-N -1 1 270.126 2.915 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC[C@H]2CC2(Cl)Cl)c1 ZINC000857382149 635972205 /nfs/dbraw/zinc/97/22/05/635972205.db2.gz YWEMHQHKBGFPEM-JTQLQIEISA-N -1 1 299.157 2.578 20 30 CFEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1cnccn1 ZINC000115962201 636165766 /nfs/dbraw/zinc/16/57/66/636165766.db2.gz KUQFXROKXNLJRM-DUXPYHPUSA-N -1 1 260.680 2.732 20 30 CFEDMM C#CC[C@@H](CCOC)NC(=O)c1ccc2ccccc2c1[O-] ZINC000863790292 637780372 /nfs/dbraw/zinc/78/03/72/637780372.db2.gz DQPUFQYWSZFTCC-AWEZNQCLSA-N -1 1 297.354 2.704 20 30 CFEDMM Cn1nc2c(c1/C=C1/Cc3cc([O-])ccc3C1=O)CCCC2 ZINC000865222843 638227677 /nfs/dbraw/zinc/22/76/77/638227677.db2.gz BIMWBROPKJXRGG-BENRWUELSA-N -1 1 294.354 2.827 20 30 CFEDMM Cc1nnc([C@@H](C)N[C@H](C)c2cccc(C#N)c2[O-])s1 ZINC000866338749 638799095 /nfs/dbraw/zinc/79/90/95/638799095.db2.gz XACIUONWRMLBKL-RKDXNWHRSA-N -1 1 288.376 2.836 20 30 CFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866802731 638876405 /nfs/dbraw/zinc/87/64/05/638876405.db2.gz OGXZPLJIYCQXGI-ZETCQYMHSA-N -1 1 295.191 2.631 20 30 CFEDMM CCN(C)c1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cn1 ZINC000191257555 650485902 /nfs/dbraw/zinc/48/59/02/650485902.db2.gz RNFJWWKAAKPSOJ-OVCLIPMQSA-N -1 1 296.326 2.860 20 30 CFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@]12C[C@H]1CCCC2 ZINC000870530527 639706138 /nfs/dbraw/zinc/70/61/38/639706138.db2.gz VLUNDVUKLCCGCL-KHIZAZIESA-N -1 1 284.359 2.962 20 30 CFEDMM N#CC1(c2ccc(C=C3SC(=O)[N-]C3=O)cc2)CC1 ZINC000874930131 642556009 /nfs/dbraw/zinc/55/60/09/642556009.db2.gz XKXYDLACCFLHEO-XFFZJAGNSA-N -1 1 270.313 2.566 20 30 CFEDMM O=C([O-])c1cccc(/C=C/C(=O)c2ccccc2O)c1 ZINC000126465513 643234516 /nfs/dbraw/zinc/23/45/16/643234516.db2.gz GTVBOLIMAPUGAJ-CMDGGOBGSA-N -1 1 268.268 2.987 20 30 CFEDMM CC(=NNC[C@H]1CCSC1)c1c([O-])cccc1F ZINC000884469559 646374422 /nfs/dbraw/zinc/37/44/22/646374422.db2.gz NVXARPNESVBPEB-SNVBAGLBSA-N -1 1 268.357 2.598 20 30 CFEDMM CC[C@H](NCc1nnc(C)s1)c1cccc(C#N)c1[O-] ZINC000926113785 648407649 /nfs/dbraw/zinc/40/76/49/648407649.db2.gz ASBASUIKCKDRFV-LBPRGKRZSA-N -1 1 288.376 2.665 20 30 CFEDMM C#CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C(C)C ZINC000928625999 648937912 /nfs/dbraw/zinc/93/79/12/648937912.db2.gz LAJKFSHLMWJXLB-UHFFFAOYSA-N -1 1 285.265 2.895 20 30 CFEDMM C[C@H](C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)C(=O)c1ccc(O)cc1 ZINC000931477154 649437940 /nfs/dbraw/zinc/43/79/40/649437940.db2.gz VXDBWOMEWYZGCS-XNRPHZJLSA-N -1 1 286.375 2.835 20 30 CFEDMM N#Cc1cc2nc(-c3cccc([O-])c3F)ccc2[nH]1 ZINC001243544846 782265628 /nfs/dbraw/zinc/26/56/28/782265628.db2.gz VZVIUUFJLFCTFF-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM N#C[C@@H]1CCCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583675 770964571 /nfs/dbraw/zinc/96/45/71/770964571.db2.gz QNDVUKLPBLCAPP-SNVBAGLBSA-N -1 1 266.291 2.796 20 30 CFEDMM CC(C)n1ncc(C#N)c1Nc1cc([O-])cc(F)c1 ZINC001206766769 769862750 /nfs/dbraw/zinc/86/27/50/769862750.db2.gz LYFFQNSXOOADBR-UHFFFAOYSA-N -1 1 260.272 2.924 20 30 CFEDMM CC(C)(C#N)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001143401709 770668255 /nfs/dbraw/zinc/66/82/55/770668255.db2.gz VYAMMGPTQQLPNR-UHFFFAOYSA-N -1 1 272.226 2.899 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc2c(c1)OCCO2 ZINC000588535259 770950504 /nfs/dbraw/zinc/95/05/04/770950504.db2.gz YXJXEUAANRILRH-QPEQYQDCSA-N -1 1 294.306 2.986 20 30 CFEDMM Cc1nc(Nc2cc(F)c([O-])c(F)c2)c(C#N)cc1C#N ZINC001213373705 773190846 /nfs/dbraw/zinc/19/08/46/773190846.db2.gz UPAWCFMNKUPSHB-UHFFFAOYSA-N -1 1 286.241 2.861 20 30 CFEDMM N#CC[C@@H](OCCCC[P@@](=O)([O-])O)c1ccccc1 ZINC001225019652 775337576 /nfs/dbraw/zinc/33/75/76/775337576.db2.gz ZLCUYMWLNMUWPC-CYBMUJFWSA-N -1 1 283.264 2.616 20 30 CFEDMM C=C(C)C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(=C)C ZINC001225664308 775547405 /nfs/dbraw/zinc/54/74/05/775547405.db2.gz MYJLVWDJKBFMEP-NSHDSACASA-N -1 1 264.281 2.985 20 30 CFEDMM CC#CC[C@H](CC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225674872 775551869 /nfs/dbraw/zinc/55/18/69/775551869.db2.gz MWOOTWBYJXESQB-LBPRGKRZSA-N -1 1 262.305 2.871 20 30 CFEDMM C#CC(C#C)Oc1ccc(C(=O)c2ccc([O-])cc2)cc1 ZINC001225808150 775600078 /nfs/dbraw/zinc/60/00/78/775600078.db2.gz LRLFEADHGXNPKH-UHFFFAOYSA-N -1 1 276.291 2.637 20 30 CFEDMM [O-]/N=C/c1cccc(OC[C@H]2CC[C@@]3(CCCCO3)O2)c1 ZINC001226115132 775703836 /nfs/dbraw/zinc/70/38/36/775703836.db2.gz WZEWKNJXQZRGPU-KDUYSQSBSA-N -1 1 291.347 2.949 20 30 CFEDMM COc1cnc(=S)[n-]c1O[C@@H](CC#N)c1ccccc1 ZINC001226244897 775752505 /nfs/dbraw/zinc/75/25/05/775752505.db2.gz HGADGZLIUKFYRI-NSHDSACASA-N -1 1 287.344 2.808 20 30 CFEDMM COc1cnc(=S)[n-]c1O[C@H](CC#N)c1ccccc1 ZINC001226244893 775753238 /nfs/dbraw/zinc/75/32/38/775753238.db2.gz HGADGZLIUKFYRI-LLVKDONJSA-N -1 1 287.344 2.808 20 30 CFEDMM CC[C@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1F ZINC001226254909 775757956 /nfs/dbraw/zinc/75/79/56/775757956.db2.gz FJMIAHCODBGERR-YRUBURHZSA-N -1 1 275.283 2.954 20 30 CFEDMM C#CC[C@@H](CC)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226485580 775843088 /nfs/dbraw/zinc/84/30/88/775843088.db2.gz MZWATAIDXJTDTJ-GFCCVEGCSA-N -1 1 272.300 2.988 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC[C@@H]1CCCO1 ZINC001227120506 776107111 /nfs/dbraw/zinc/10/71/11/776107111.db2.gz MRBUIEHJHNCQLZ-LBPRGKRZSA-N -1 1 276.332 2.881 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCOC[C@H]1F ZINC001227123514 776108027 /nfs/dbraw/zinc/10/80/27/776108027.db2.gz XVAWPQZNSRHKSO-UKRRQHHQSA-N -1 1 294.322 2.829 20 30 CFEDMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1ccccc1C#N ZINC001227384936 776190729 /nfs/dbraw/zinc/19/07/29/776190729.db2.gz DMJQWRMIDJLXKL-MRVPVSSYSA-N -1 1 275.308 2.916 20 30 CFEDMM Cc1cn2c(n1)[C@H](Oc1ccc([O-])c(C#N)c1C#N)CCC2 ZINC001227620285 776246524 /nfs/dbraw/zinc/24/65/24/776246524.db2.gz ZFMJBEBYUOIFHA-OAHLLOKOSA-N -1 1 294.314 2.554 20 30 CFEDMM C[C@@H](COc1ccccc1)Oc1ccc([O-])c(C#N)c1C#N ZINC001227618360 776246725 /nfs/dbraw/zinc/24/67/25/776246725.db2.gz KIVZOPWLPPNJIQ-LBPRGKRZSA-N -1 1 294.310 2.982 20 30 CFEDMM C[C@H](COc1ccc([O-])c(C#N)c1C#N)Oc1ccccc1 ZINC001227621108 776246946 /nfs/dbraw/zinc/24/69/46/776246946.db2.gz ADRMRRJATXSTAG-GFCCVEGCSA-N -1 1 294.310 2.982 20 30 CFEDMM COc1ccc([C@H](C)Oc2cc([O-])ccc2C#N)cn1 ZINC001228007608 776360117 /nfs/dbraw/zinc/36/01/17/776360117.db2.gz SNSSAPNPOANQEC-JTQLQIEISA-N -1 1 270.288 2.807 20 30 CFEDMM CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228008049 776361518 /nfs/dbraw/zinc/36/15/18/776361518.db2.gz VUZJTBLZFLBXHK-BXUZGUMPSA-N -1 1 289.331 2.765 20 30 CFEDMM C=CC[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228139907 776406850 /nfs/dbraw/zinc/40/68/50/776406850.db2.gz CHBKSTPSMRNZTO-NSHDSACASA-N -1 1 287.275 2.787 20 30 CFEDMM CCCCCCC[C@H](C)Oc1nc(C(=O)OC)n[n-]1 ZINC001228310274 776453876 /nfs/dbraw/zinc/45/38/76/776453876.db2.gz DQMBWEROVREHBJ-JTQLQIEISA-N -1 1 269.345 2.719 20 30 CFEDMM CCCCCCC[C@H](C)Oc1n[n-]c(C(=O)OC)n1 ZINC001228310274 776453877 /nfs/dbraw/zinc/45/38/77/776453877.db2.gz DQMBWEROVREHBJ-JTQLQIEISA-N -1 1 269.345 2.719 20 30 CFEDMM C#C[C@@H](Oc1cnnc(=S)[n-]1)[C@H](CC)CCCC ZINC001228642811 776550227 /nfs/dbraw/zinc/55/02/27/776550227.db2.gz VNWMSVFZWVWKBY-GHMZBOCLSA-N -1 1 265.382 2.757 20 30 CFEDMM C#C[C@H](Oc1cnnc(=S)[n-]1)[C@H](CC)CCCC ZINC001228642812 776551350 /nfs/dbraw/zinc/55/13/50/776551350.db2.gz VNWMSVFZWVWKBY-MNOVXSKESA-N -1 1 265.382 2.757 20 30 CFEDMM C=CCS(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000710938540 777143878 /nfs/dbraw/zinc/14/38/78/777143878.db2.gz NRSTXCHNTVHZJY-UHFFFAOYSA-N -1 1 282.752 2.816 20 30 CFEDMM C=CC(C=C)Oc1cccnc1-c1ncccc1[O-] ZINC001231200511 777169379 /nfs/dbraw/zinc/16/93/79/777169379.db2.gz PHDICMPMXHZGAW-UHFFFAOYSA-N -1 1 254.289 2.969 20 30 CFEDMM C#CC[C@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231200273 777169728 /nfs/dbraw/zinc/16/97/28/777169728.db2.gz LAZVXDZFSLWSEM-NSHDSACASA-N -1 1 254.289 2.640 20 30 CFEDMM C#C[C@H](CC)Oc1cccnc1-c1ncccc1[O-] ZINC001231199095 777169757 /nfs/dbraw/zinc/16/97/57/777169757.db2.gz AOQDOIXTWCHRQK-LLVKDONJSA-N -1 1 254.289 2.640 20 30 CFEDMM C#C[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001231259065 777178488 /nfs/dbraw/zinc/17/84/88/777178488.db2.gz DZEPDUDMXJIXLD-ZDUSSCGKSA-N -1 1 284.271 2.757 20 30 CFEDMM C=C[C@H](C#CC(C)(C)C)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231262902 777180423 /nfs/dbraw/zinc/18/04/23/777180423.db2.gz HVRRNKISRPSWFU-LLVKDONJSA-N -1 1 290.319 2.987 20 30 CFEDMM C#C[C@H](CCCC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231265052 777181544 /nfs/dbraw/zinc/18/15/44/777181544.db2.gz VZBSMWWELQZMCM-SNVBAGLBSA-N -1 1 264.281 2.575 20 30 CFEDMM C=C[C@H](CCC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231265174 777181645 /nfs/dbraw/zinc/18/16/45/777181645.db2.gz ZPOOQNNASIZGLO-SECBINFHSA-N -1 1 252.270 2.737 20 30 CFEDMM CCOC(=O)[C@H](CC(C)C)Oc1cccc(/C=N/[O-])c1 ZINC001226114710 777439888 /nfs/dbraw/zinc/43/98/88/777439888.db2.gz PMHLKZQFWOSCOL-KNGSKEOJSA-N -1 1 279.336 2.851 20 30 CFEDMM CC1(C#N)CCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232936942 777725240 /nfs/dbraw/zinc/72/52/40/777725240.db2.gz IRBHTIWMOIVCSY-UHFFFAOYSA-N -1 1 266.291 2.796 20 30 CFEDMM C#C[C@@H](CC)Oc1cc([O-])c(O)cc1C(=O)CCC ZINC001233497638 777968806 /nfs/dbraw/zinc/96/88/06/777968806.db2.gz QGWWRISYNZMBCC-JTQLQIEISA-N -1 1 262.305 2.871 20 30 CFEDMM C#C[C@@H](CC)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233498436 777970298 /nfs/dbraw/zinc/97/02/98/777970298.db2.gz LTPQORXNZKJHIM-ZETCQYMHSA-N -1 1 279.683 2.915 20 30 CFEDMM CC(=O)[C@@H](Oc1cc([O-])ccc1C#N)c1ccccc1 ZINC001228006434 777993664 /nfs/dbraw/zinc/99/36/64/777993664.db2.gz AXQODVNXKUMSLH-MRXNPFEDSA-N -1 1 267.284 2.973 20 30 CFEDMM C=CC[C@@H](CCCC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141781 778016532 /nfs/dbraw/zinc/01/65/32/778016532.db2.gz UXBBRUTXDKYFBN-VIFPVBQESA-N -1 1 267.285 2.604 20 30 CFEDMM COc1cc(/C=N/[O-])ccc1O[C@H]1CCc2cccnc21 ZINC001233802852 778081815 /nfs/dbraw/zinc/08/18/15/778081815.db2.gz JHOMCBCGPXJQDE-XKYMITNMSA-N -1 1 284.315 2.965 20 30 CFEDMM [O-]N=Cc1ccccc1O[C@H]1CCCC2(C1)OCCO2 ZINC001234818590 778300985 /nfs/dbraw/zinc/30/09/85/778300985.db2.gz BXNILDFVSSETDD-ZDUSSCGKSA-N -1 1 277.320 2.559 20 30 CFEDMM COC(=O)C[C@@H]1CCC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234818684 778301245 /nfs/dbraw/zinc/30/12/45/778301245.db2.gz CNEGBYZUSQEDFP-TZMCWYRMSA-N -1 1 291.347 2.995 20 30 CFEDMM CCC1=C(Oc2nc3sccc3[n-]2)C(=O)[C@@H](C)O1 ZINC001234847866 778307840 /nfs/dbraw/zinc/30/78/40/778307840.db2.gz MJNMPWOZXYXOMZ-ZCFIWIBFSA-N -1 1 264.306 2.613 20 30 CFEDMM C[C@]1(C(=O)Nc2ccc(C#N)cc2[O-])CC=CCC1 ZINC001142547754 778407573 /nfs/dbraw/zinc/40/75/73/778407573.db2.gz GJNKRNGKKLFOCY-HNNXBMFYSA-N -1 1 256.305 2.949 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C)c(C)c2)c(=O)o1 ZINC000128008444 778470876 /nfs/dbraw/zinc/47/08/76/778470876.db2.gz PLZWLOXSDUGCBG-MOEXGYKKSA-N -1 1 284.311 2.532 20 30 CFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccco1 ZINC000128899354 778633366 /nfs/dbraw/zinc/63/33/66/778633366.db2.gz AUWYCANDPYADRT-LLVKDONJSA-N -1 1 298.298 2.639 20 30 CFEDMM C=C1O[C@@H](CC)C(=O)C1Oc1nc2sccc2[n-]1 ZINC001234848757 779272659 /nfs/dbraw/zinc/27/26/59/779272659.db2.gz SNXHFMFVDZQMSG-QMMMGPOBSA-N -1 1 264.306 2.613 20 30 CFEDMM [O-]/N=C/c1ccc(F)c(-c2cnn(CC3CC3)c2)c1 ZINC001240516215 780224204 /nfs/dbraw/zinc/22/42/04/780224204.db2.gz KSDNJKXGDKRVJO-UBKPWBPPSA-N -1 1 259.284 2.907 20 30 CFEDMM N#Cc1cnc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214479699 780315427 /nfs/dbraw/zinc/31/54/27/780315427.db2.gz DFKVAYXCNUBDLK-UHFFFAOYSA-N -1 1 264.647 2.590 20 30 CFEDMM COC[C@@H](C)OC[C@@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229737579 780462363 /nfs/dbraw/zinc/46/23/63/780462363.db2.gz BNWFYAARJHLTNP-ZFHNCLSMSA-N -1 1 281.352 2.704 20 30 CFEDMM CCOC(=O)c1cc(C#N)c(C)nc1-c1ccccc1[O-] ZINC001241001990 780585763 /nfs/dbraw/zinc/58/57/63/780585763.db2.gz OOGFUWBEFQDVHE-UHFFFAOYSA-N -1 1 282.299 2.811 20 30 CFEDMM [O-]/N=C/c1ccc(F)c(-c2cc(CO)ccc2F)c1 ZINC001241154093 780671860 /nfs/dbraw/zinc/67/18/60/780671860.db2.gz OESCWTHRWVUPPN-REZTVBANSA-N -1 1 263.243 2.932 20 30 CFEDMM COc1nc(-c2cc([O-])cc(F)c2)c(F)cc1C#N ZINC001241261977 780742442 /nfs/dbraw/zinc/74/24/42/780742442.db2.gz GONQVCRQHZRLPT-UHFFFAOYSA-N -1 1 262.215 2.613 20 30 CFEDMM N#Cc1nc(-c2ccc(C(=O)[O-])c(Cl)c2)cc2[nH]cnc21 ZINC001241346142 780799827 /nfs/dbraw/zinc/79/98/27/780799827.db2.gz YANCBSGOWCMHFI-UHFFFAOYSA-N -1 1 298.689 2.848 20 30 CFEDMM N#Cc1ncncc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242138220 781296827 /nfs/dbraw/zinc/29/68/27/781296827.db2.gz RVPYFINOGATLBL-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM COC(=O)c1ccc(-c2ccc(F)cc2[O-])cc1C#N ZINC001242218187 781333360 /nfs/dbraw/zinc/33/33/60/781333360.db2.gz WYRBPXPODMSNJV-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM N#Cc1cc(-c2ccc(N3CCCCC3)nn2)ccc1[O-] ZINC001242562383 781600509 /nfs/dbraw/zinc/60/05/09/781600509.db2.gz VMLMIOHESFILII-UHFFFAOYSA-N -1 1 280.331 2.711 20 30 CFEDMM N#Cc1cc(-c2ccc(-c3ccncc3)nn2)ccc1[O-] ZINC001242563666 781602424 /nfs/dbraw/zinc/60/24/24/781602424.db2.gz UWIGHUKBAZMFDK-UHFFFAOYSA-N -1 1 274.283 2.783 20 30 CFEDMM CC(C)(C)NC(=O)c1ccnc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242563625 781602558 /nfs/dbraw/zinc/60/25/58/781602558.db2.gz JHJLEXJYGLCANT-UHFFFAOYSA-N -1 1 295.342 2.854 20 30 CFEDMM N#Cc1cc(-c2cc3c(cc2F)CC(=O)N3)ccc1[O-] ZINC001242565128 781603223 /nfs/dbraw/zinc/60/32/23/781603223.db2.gz MWBMUOGPYCHNKM-UHFFFAOYSA-N -1 1 268.247 2.565 20 30 CFEDMM COC(=O)c1c(F)ccc(-c2ccc([O-])c(C#N)c2)c1F ZINC001242565208 781603309 /nfs/dbraw/zinc/60/33/09/781603309.db2.gz QTSQQBAVVINTKO-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM N#Cc1cc(-c2ccc3oc(C(N)=O)cc3c2)ccc1[O-] ZINC001242564940 781603324 /nfs/dbraw/zinc/60/33/24/781603324.db2.gz BXYHFVMYOOTZOC-UHFFFAOYSA-N -1 1 278.267 2.776 20 30 CFEDMM N#Cc1cc(-c2cnc(C(F)(F)F)nc2)ccc1[O-] ZINC001242564718 781603546 /nfs/dbraw/zinc/60/35/46/781603546.db2.gz PXXFZVCHFYRSIH-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM N#Cc1cc(-c2ccnc(OC(F)F)c2)ccc1[O-] ZINC001242565078 781603668 /nfs/dbraw/zinc/60/36/68/781603668.db2.gz KPZBSLOIAKZDGW-UHFFFAOYSA-N -1 1 262.215 2.927 20 30 CFEDMM N#Cc1cc(-c2ccccc2N2CCOCC2)ccc1[O-] ZINC001242565521 781604846 /nfs/dbraw/zinc/60/48/46/781604846.db2.gz IREOGJKJCLCNLI-UHFFFAOYSA-N -1 1 280.327 2.767 20 30 CFEDMM COc1nccc(-c2ccc3c(c2)CC/C3=N/[O-])c1OC ZINC001242960740 781879067 /nfs/dbraw/zinc/87/90/67/781879067.db2.gz FOFNQOLOFCHYOH-JXAWBTAJSA-N -1 1 284.315 2.890 20 30 CFEDMM C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000408430817 290636650 /nfs/dbraw/zinc/63/66/50/290636650.db2.gz YRFRVUCGCRAUST-MJHDQNEOSA-N -1 1 258.321 2.572 20 30 CFEDMM CC(C)(C)O[C@H]1C[C@H](N=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596298217 349856465 /nfs/dbraw/zinc/85/64/65/349856465.db2.gz VPHQSSFLESGXOL-ZKCHVHJHSA-N -1 1 285.800 2.848 20 30 CFEDMM CCC1(C)CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000442953331 282345092 /nfs/dbraw/zinc/34/50/92/282345092.db2.gz AARKHXQQQNHOOR-UHFFFAOYSA-N -1 1 272.348 2.916 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)COC3)n1 ZINC000050204992 346490956 /nfs/dbraw/zinc/49/09/56/346490956.db2.gz WLFMTBZKQVHZRR-ZDUSSCGKSA-N -1 1 284.340 2.972 20 30 CFEDMM C=CCN(Cc1ccccc1F)C(=O)c1cncc([O-])c1 ZINC000109955659 347747202 /nfs/dbraw/zinc/74/72/02/347747202.db2.gz IUWLGQKKSRISCW-UHFFFAOYSA-N -1 1 286.306 2.755 20 30 CFEDMM COc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000584598976 348685005 /nfs/dbraw/zinc/68/50/05/348685005.db2.gz QVQNNLOACIRDST-FNORWQNLSA-N -1 1 298.294 2.995 20 30 CFEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]2CCC[C@@H]21 ZINC000584675332 348704949 /nfs/dbraw/zinc/70/49/49/348704949.db2.gz JVYYIIMXWODWOW-KBPBESRZSA-N -1 1 284.359 2.915 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H]2c2ccccc2)c1 ZINC000589169700 348814929 /nfs/dbraw/zinc/81/49/29/348814929.db2.gz DRZWLIOGEMLFMF-INIZCTEOSA-N -1 1 278.311 2.851 20 30 CFEDMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000589168933 348814938 /nfs/dbraw/zinc/81/49/38/348814938.db2.gz LEXGRHUCSUOOQS-BONVTDFDSA-N -1 1 296.326 2.910 20 30 CFEDMM C[C@H]1CCC[C@H](N(C)C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589168688 348815523 /nfs/dbraw/zinc/81/55/23/348815523.db2.gz DNPBUIQMYSGRSG-FZMZJTMJSA-N -1 1 272.348 2.915 20 30 CFEDMM Cc1cccc2c1CC[C@@H]2NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589179175 348816306 /nfs/dbraw/zinc/81/63/06/348816306.db2.gz GHAJWMVETYEOOM-KRWDZBQOSA-N -1 1 292.338 2.990 20 30 CFEDMM CCC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccn1 ZINC000589178895 348816397 /nfs/dbraw/zinc/81/63/97/348816397.db2.gz ANKYNLNMLRUOJV-INIZCTEOSA-N -1 1 295.342 2.930 20 30 CFEDMM CN(CCc1cccs1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589186551 348816931 /nfs/dbraw/zinc/81/69/31/348816931.db2.gz HJQVCBKEVARTGU-UHFFFAOYSA-N -1 1 286.356 2.640 20 30 CFEDMM C[C@@H]1CCCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589180700 348816990 /nfs/dbraw/zinc/81/69/90/348816990.db2.gz FIQCSEDREGEKDH-LLVKDONJSA-N -1 1 258.321 2.669 20 30 CFEDMM CC[C@@]1(C)CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589187664 348817241 /nfs/dbraw/zinc/81/72/41/348817241.db2.gz HPGVPNMOKRFMRZ-INIZCTEOSA-N -1 1 272.348 2.916 20 30 CFEDMM C[C@@H]1CC(NC(=O)c2cc([O-])cc(C#N)c2)C[C@@H](C)C1 ZINC000589183670 348817264 /nfs/dbraw/zinc/81/72/64/348817264.db2.gz FCTUDRVNPUNAAX-QWRGUYRKSA-N -1 1 272.348 2.818 20 30 CFEDMM CCC1(CNC(=O)c2cc([O-])cc(C#N)c2)CCCC1 ZINC000589189651 348817617 /nfs/dbraw/zinc/81/76/17/348817617.db2.gz RSINRMATKUXVBE-UHFFFAOYSA-N -1 1 272.348 2.964 20 30 CFEDMM CC[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589189070 348817647 /nfs/dbraw/zinc/81/76/47/348817647.db2.gz AVIRNFTUOHBKCL-RISCZKNCSA-N -1 1 258.321 2.572 20 30 CFEDMM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589189101 348817931 /nfs/dbraw/zinc/81/79/31/348817931.db2.gz ZUFVXEGVGRZBTB-MFKMUULPSA-N -1 1 258.321 2.524 20 30 CFEDMM CC1(C)CCCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589189414 348818012 /nfs/dbraw/zinc/81/80/12/348818012.db2.gz WCMVMMPGHQZFNK-AWEZNQCLSA-N -1 1 272.348 2.962 20 30 CFEDMM CC1(C)CCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589188111 348818290 /nfs/dbraw/zinc/81/82/90/348818290.db2.gz VKJXQKGYAMJTBS-ZDUSSCGKSA-N -1 1 258.321 2.572 20 30 CFEDMM C=CCN(CCc1ccco1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589197867 348818816 /nfs/dbraw/zinc/81/88/16/348818816.db2.gz JXVFQKTYFHMMAB-UHFFFAOYSA-N -1 1 296.326 2.728 20 30 CFEDMM C=CCCC[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589196984 348819321 /nfs/dbraw/zinc/81/93/21/348819321.db2.gz RCFVXORSXZILAY-NSHDSACASA-N -1 1 258.321 2.738 20 30 CFEDMM C[C@@H](CCC1CC1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589204978 348819706 /nfs/dbraw/zinc/81/97/06/348819706.db2.gz FUEVEZCVACFYAK-JTQLQIEISA-N -1 1 258.321 2.572 20 30 CFEDMM CS[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)C(C)(C)C ZINC000589201691 348819790 /nfs/dbraw/zinc/81/97/90/348819790.db2.gz CWBZGZSUVBLUKF-ZDUSSCGKSA-N -1 1 292.404 2.771 20 30 CFEDMM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589207546 348820112 /nfs/dbraw/zinc/82/01/12/348820112.db2.gz ABFBHRANZKUWEM-QMTHXVAHSA-N -1 1 258.321 2.524 20 30 CFEDMM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589527582 348837867 /nfs/dbraw/zinc/83/78/67/348837867.db2.gz RANZMJMBYPYWSG-QFYYESIMSA-N -1 1 294.310 2.516 20 30 CFEDMM CC1(C)CN(C(=O)c2cc([O-])cc(C#N)c2)[C@H]2CCC[C@H]21 ZINC000590525664 348907980 /nfs/dbraw/zinc/90/79/80/348907980.db2.gz BJRWEAPZGLSLDH-CABCVRRESA-N -1 1 284.359 2.915 20 30 CFEDMM CC1(C)CN(C(=O)c2cc([O-])cc(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000590525665 348908042 /nfs/dbraw/zinc/90/80/42/348908042.db2.gz BJRWEAPZGLSLDH-GJZGRUSLSA-N -1 1 284.359 2.915 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC2(C3CCC3)CCC2)c1 ZINC000590891154 348963389 /nfs/dbraw/zinc/96/33/89/348963389.db2.gz CSZUZBMBLCBWGL-UHFFFAOYSA-N -1 1 284.359 2.964 20 30 CFEDMM C=CCC1(NC(=O)c2cc([O-])cc(C#N)c2)CCCC1 ZINC000598297577 350228292 /nfs/dbraw/zinc/22/82/92/350228292.db2.gz XPYWYTQCMIBCAO-UHFFFAOYSA-N -1 1 270.332 2.883 20 30 CFEDMM N#CCCCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000600676447 350595753 /nfs/dbraw/zinc/59/57/53/350595753.db2.gz WLASYZAFKRTRHI-UHFFFAOYSA-N -1 1 284.319 2.600 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCC23CC3)cc1[O-] ZINC000600801090 350614418 /nfs/dbraw/zinc/61/44/18/350614418.db2.gz AOCNKVCSHQHJLK-CYBMUJFWSA-N -1 1 270.332 2.574 20 30 CFEDMM N#C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C1CC1 ZINC000601082300 350662261 /nfs/dbraw/zinc/66/22/61/350662261.db2.gz GAYSIEBQVQFNNS-ZETCQYMHSA-N -1 1 257.265 2.514 20 30 CFEDMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@H]1CCC[C@H]1C#N ZINC000601824743 350787601 /nfs/dbraw/zinc/78/76/01/350787601.db2.gz XTYFVYVVHZJTER-CABZTGNLSA-N -1 1 278.739 2.810 20 30 CFEDMM C[C@@H]1CCc2[n-]n(Cc3cccc(C#N)c3)c(=O)c2C1 ZINC000601944566 350812640 /nfs/dbraw/zinc/81/26/40/350812640.db2.gz LNPMEFWBIXTWJC-RISCZKNCSA-N -1 1 267.332 2.693 20 30 CFEDMM CC(=Cc1cc(F)cc(F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000571265271 383678641 /nfs/dbraw/zinc/67/86/41/383678641.db2.gz DSFSXANZZLXMER-FPYGCLRLSA-N -1 1 287.269 2.789 20 30 CFEDMM Cc1nn(C)cc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000603627755 351176451 /nfs/dbraw/zinc/17/64/51/351176451.db2.gz MGVBRAQDDXRFNX-CYBMUJFWSA-N -1 1 290.326 2.767 20 30 CFEDMM CC(C)C[C@@H](C#N)NC(=O)c1ccc(Cl)cc1[O-] ZINC000611251181 351657942 /nfs/dbraw/zinc/65/79/42/351657942.db2.gz RDONDBZIPKJBID-JTQLQIEISA-N -1 1 266.728 2.714 20 30 CFEDMM N#CCCN(Cc1ccco1)C(=O)c1ccc([O-])c(F)c1 ZINC000613501619 351971081 /nfs/dbraw/zinc/97/10/81/351971081.db2.gz OXXFCJVWCFWYQX-UHFFFAOYSA-N -1 1 288.278 2.680 20 30 CFEDMM N#C[C@@H](NC(=O)c1ccc([O-])c(F)c1)C1CCCCC1 ZINC000613512257 351972891 /nfs/dbraw/zinc/97/28/91/351972891.db2.gz AXLNNYHSEINBIO-CYBMUJFWSA-N -1 1 276.311 2.734 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCc3cc(F)ccc32)c1 ZINC000614297912 352077250 /nfs/dbraw/zinc/07/72/50/352077250.db2.gz GQPFEXIEGTYVML-INIZCTEOSA-N -1 1 296.301 2.820 20 30 CFEDMM CS[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614299378 352077286 /nfs/dbraw/zinc/07/72/86/352077286.db2.gz LIBKWZHAMREFJZ-GXTWGEPZSA-N -1 1 290.388 2.668 20 30 CFEDMM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614300522 352077294 /nfs/dbraw/zinc/07/72/94/352077294.db2.gz IZXCYRNHYUQZRX-ZIAGYGMSSA-N -1 1 290.388 2.668 20 30 CFEDMM CC(C)CN(C(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000614301451 352077689 /nfs/dbraw/zinc/07/76/89/352077689.db2.gz RTRMIEGYESBGPZ-UHFFFAOYSA-N -1 1 258.321 2.524 20 30 CFEDMM COCc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614363972 352085692 /nfs/dbraw/zinc/08/56/92/352085692.db2.gz DTRVSAXJWLXGKE-UHFFFAOYSA-N -1 1 282.299 2.663 20 30 CFEDMM CN(Cc1ccsc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000615423290 352192049 /nfs/dbraw/zinc/19/20/49/352192049.db2.gz RRZKSVIRFGSMAA-UHFFFAOYSA-N -1 1 272.329 2.598 20 30 CFEDMM N#C[C@]1(F)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000615665362 352226476 /nfs/dbraw/zinc/22/64/76/352226476.db2.gz ZKBGPXBOVIFYKC-MRXNPFEDSA-N -1 1 284.290 2.623 20 30 CFEDMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000616171678 352295965 /nfs/dbraw/zinc/29/59/65/352295965.db2.gz XAAFJSDMYNLXLU-IJLUTSLNSA-N -1 1 272.348 2.770 20 30 CFEDMM CC1(C)CCCN(C(=O)c2ccc([O-])c(F)c2)[C@@H]1C#N ZINC000618037524 352703143 /nfs/dbraw/zinc/70/31/43/352703143.db2.gz VINBQVQTVLTTOA-CYBMUJFWSA-N -1 1 276.311 2.686 20 30 CFEDMM Cn1c(C2CC2)n[n-]c1=NCc1ccc(C(C)(C)C#N)cc1 ZINC000594742141 539926310 /nfs/dbraw/zinc/92/63/10/539926310.db2.gz KLVDRWAUPFUGDJ-UHFFFAOYSA-N -1 1 295.390 2.528 20 30 CFEDMM CCc1nc(C)c(NC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000619544638 353034764 /nfs/dbraw/zinc/03/47/64/353034764.db2.gz MPTSBOOJOXODLE-UHFFFAOYSA-N -1 1 287.344 2.844 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3cccc(F)c3C2)c1 ZINC000619557984 353036294 /nfs/dbraw/zinc/03/62/94/353036294.db2.gz VLQHULANKKAOIA-UHFFFAOYSA-N -1 1 296.301 2.601 20 30 CFEDMM C=CCN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@H](C)COC ZINC000633611758 355947029 /nfs/dbraw/zinc/94/70/29/355947029.db2.gz FKDNVJSDPGIZCV-LLVKDONJSA-N -1 1 297.782 2.638 20 30 CFEDMM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426769158 239260108 /nfs/dbraw/zinc/26/01/08/239260108.db2.gz GIEWETPTQPNLKX-HNNXBMFYSA-N -1 1 284.290 2.613 20 30 CFEDMM COC(=O)c1c[n-]c(SCc2ccc(C#N)c(C)c2)n1 ZINC000432666050 240028169 /nfs/dbraw/zinc/02/81/69/240028169.db2.gz DACDNWGQWBKGCJ-UHFFFAOYSA-N -1 1 287.344 2.669 20 30 CFEDMM COc1cccc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000442634555 240973974 /nfs/dbraw/zinc/97/39/74/240973974.db2.gz MXHVHHMSHCDXRB-UHFFFAOYSA-N -1 1 296.326 2.545 20 30 CFEDMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442978673 241025329 /nfs/dbraw/zinc/02/53/29/241025329.db2.gz YOTVIGLBFQFJDK-DIFFPNOSSA-N -1 1 292.338 2.927 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1[O-] ZINC000443270312 241050600 /nfs/dbraw/zinc/05/06/00/241050600.db2.gz HOXCHVSMHWBUDX-HZPDHXFCSA-N -1 1 292.338 2.625 20 30 CFEDMM C[C@@H](C#N)CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000042460787 372926935 /nfs/dbraw/zinc/92/69/35/372926935.db2.gz OEVHTPJWQCWBEF-NSHDSACASA-N -1 1 268.316 2.777 20 30 CFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000070430442 374173221 /nfs/dbraw/zinc/17/32/21/374173221.db2.gz LLWRQHNGEXAZDM-UHFFFAOYSA-N -1 1 297.339 2.539 20 30 CFEDMM C[C@H]1CC(C(=O)Nc2n[n-]c(C(F)(F)F)n2)C[C@H](C)O1 ZINC000094036986 375336684 /nfs/dbraw/zinc/33/66/84/375336684.db2.gz JCYVTIBFRASTGV-WDSKDSINSA-N -1 1 292.261 2.615 20 30 CFEDMM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1ccccn1 ZINC000121506191 376846279 /nfs/dbraw/zinc/84/62/79/376846279.db2.gz RFOOGSRWQYWHQH-ZDUSSCGKSA-N -1 1 280.331 2.883 20 30 CFEDMM Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)n1 ZINC000122891159 376940116 /nfs/dbraw/zinc/94/01/16/376940116.db2.gz FWLKEXOTVHCMDQ-LBPRGKRZSA-N -1 1 290.326 2.767 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1[O-] ZINC000334195753 378910964 /nfs/dbraw/zinc/91/09/64/378910964.db2.gz XYFNUBMWXOOAIR-VIFPVBQESA-N -1 1 298.264 2.678 20 30 CFEDMM CC#CCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000168729410 379094722 /nfs/dbraw/zinc/09/47/22/379094722.db2.gz BZIPMKAHAYTUAH-UHFFFAOYSA-N -1 1 253.301 2.689 20 30 CFEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc([O-])cc2F)C1 ZINC000181982142 380957945 /nfs/dbraw/zinc/95/79/45/380957945.db2.gz UARDIFAYYPWUMX-BONVTDFDSA-N -1 1 276.311 2.734 20 30 CFEDMM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000295701545 381025701 /nfs/dbraw/zinc/02/57/01/381025701.db2.gz JZJKYYNZDFFJIN-NSHDSACASA-N -1 1 282.365 2.564 20 30 CFEDMM CC[C@@H](CC#N)NC(=O)c1cc(Br)ccc1[O-] ZINC000183874975 381332685 /nfs/dbraw/zinc/33/26/85/381332685.db2.gz BKHAOLVWAMMGFX-VIFPVBQESA-N -1 1 297.152 2.577 20 30 CFEDMM C=CCOCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000351887909 382069126 /nfs/dbraw/zinc/06/91/26/382069126.db2.gz SHKURIMRTZKHQY-UHFFFAOYSA-N -1 1 276.308 2.805 20 30 CFEDMM N#CCCC[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000352160687 382201378 /nfs/dbraw/zinc/20/13/78/382201378.db2.gz ODHNBHIPRLSHNK-INIZCTEOSA-N -1 1 295.342 2.952 20 30 CFEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C)c1cccnc1 ZINC000188509625 382427613 /nfs/dbraw/zinc/42/76/13/382427613.db2.gz RQKZXNJNUGMNQQ-GFCCVEGCSA-N -1 1 295.342 2.882 20 30 CFEDMM CC(C)CN(C(=O)c1ccc(C#N)c([O-])c1)C(C)C ZINC000188465817 382419192 /nfs/dbraw/zinc/41/91/92/382419192.db2.gz QCWDQZONOUWMLH-UHFFFAOYSA-N -1 1 260.337 2.770 20 30 CFEDMM CC(C)N(C(=O)c1ccc(C#N)c([O-])c1)C1CCC1 ZINC000188698511 382459234 /nfs/dbraw/zinc/45/92/34/382459234.db2.gz ROYNZAYPVZAXIQ-UHFFFAOYSA-N -1 1 258.321 2.667 20 30 CFEDMM COc1cc(C)cc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188714857 382463277 /nfs/dbraw/zinc/46/32/77/382463277.db2.gz XBFZJYUHBFUZFF-UHFFFAOYSA-N -1 1 296.326 2.511 20 30 CFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H]2CCCC[C@@H]21 ZINC000188783755 382475639 /nfs/dbraw/zinc/47/56/39/382475639.db2.gz IHCTVOOXNNSELC-KCPJHIHWSA-N -1 1 284.359 2.915 20 30 CFEDMM N#Cc1ccc(C(=O)NCCC2CCCC2)cc1[O-] ZINC000190087915 382653222 /nfs/dbraw/zinc/65/32/22/382653222.db2.gz GWLMJRCWOADHCP-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(C#N)cc1 ZINC000226603714 382830230 /nfs/dbraw/zinc/83/02/30/382830230.db2.gz ADPRCVRCBPHBFT-SSDOTTSWSA-N -1 1 274.217 2.636 20 30 CFEDMM N#Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)nc1 ZINC000232351176 382868738 /nfs/dbraw/zinc/86/87/38/382868738.db2.gz GWSVVSUCGQOGPV-UHFFFAOYSA-N -1 1 282.234 2.515 20 30 CFEDMM N#CC(=C([O-])c1cnc2ccsc2c1)c1ccncn1 ZINC000544816088 382975661 /nfs/dbraw/zinc/97/56/61/382975661.db2.gz UZJZOHRLXIAPSV-JTQLQIEISA-N -1 1 280.312 2.576 20 30 CFEDMM N#CC(=C([O-])c1cnc2ccsc2c1)c1ccncn1 ZINC000544816089 382975746 /nfs/dbraw/zinc/97/57/46/382975746.db2.gz UZJZOHRLXIAPSV-SNVBAGLBSA-N -1 1 280.312 2.576 20 30 CFEDMM C[C@@H](C#N)CN(C)c1ccc(=N[C@H](C)c2ccccc2)[n-]n1 ZINC000425205274 383340549 /nfs/dbraw/zinc/34/05/49/383340549.db2.gz IPXJPDZBVIMPRD-UONOGXRCSA-N -1 1 295.390 2.667 20 30 CFEDMM N#C[C@H]1CC[C@@H](NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000424963975 383298318 /nfs/dbraw/zinc/29/83/18/383298318.db2.gz ACLJBMUCVDWWIQ-WCQYABFASA-N -1 1 280.327 2.967 20 30 CFEDMM Cc1cccnc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000429353629 383522757 /nfs/dbraw/zinc/52/27/57/383522757.db2.gz AEDNMYSYMMBRFT-LBPRGKRZSA-N -1 1 290.326 2.767 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1cccc2c1OC(C)(C)C2 ZINC000530434843 383770818 /nfs/dbraw/zinc/77/08/18/383770818.db2.gz XMCZFOUOWKNKLZ-UHFFFAOYSA-N -1 1 281.377 2.718 20 30 CFEDMM C=CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435431413 383774364 /nfs/dbraw/zinc/77/43/64/383774364.db2.gz IKHKPLZWWKEJBZ-UHFFFAOYSA-N -1 1 284.139 2.597 20 30 CFEDMM N#CCC1(CNC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436899158 383897964 /nfs/dbraw/zinc/89/79/64/383897964.db2.gz BULWHPVOPVIMFD-UHFFFAOYSA-N -1 1 280.327 2.969 20 30 CFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272251915 385487515 /nfs/dbraw/zinc/48/75/15/385487515.db2.gz STFMTRIJFVBWAP-SSDOTTSWSA-N -1 1 295.191 2.631 20 30 CFEDMM CC(C)(C)C1CC(NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000356025140 130371177 /nfs/dbraw/zinc/37/11/77/130371177.db2.gz PEOZJYQJAONJRP-UHFFFAOYSA-N -1 1 272.348 2.818 20 30 CFEDMM Cc1nc(-c2ccc(NCCCCC#N)nc2)[n-]c(=O)c1C ZINC000301409819 393470325 /nfs/dbraw/zinc/47/03/25/393470325.db2.gz OHXAPIPVDPPITL-UHFFFAOYSA-N -1 1 297.362 2.967 20 30 CFEDMM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188534786 393565745 /nfs/dbraw/zinc/56/57/45/393565745.db2.gz YALWQXLONIGDDL-NEPJUHHUSA-N -1 1 272.348 2.915 20 30 CFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)ccc1F ZINC000074932526 393667028 /nfs/dbraw/zinc/66/70/28/393667028.db2.gz HPOYEYOPXIWSPH-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM Cc1cnc(C(=O)N[C@@H](CCC#N)c2ccccc2)c([O-])c1 ZINC000427629425 393895268 /nfs/dbraw/zinc/89/52/68/393895268.db2.gz MPXLTFTUEIJIJE-AWEZNQCLSA-N -1 1 295.342 2.871 20 30 CFEDMM C#C[C@@H](C)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000491698697 394056829 /nfs/dbraw/zinc/05/68/29/394056829.db2.gz MCRMBZHMJZJARZ-LLVKDONJSA-N -1 1 253.301 2.639 20 30 CFEDMM N#CC(=C([O-])c1cc(Cl)cc2c1OCC2)c1ccncn1 ZINC000361022081 394162926 /nfs/dbraw/zinc/16/29/26/394162926.db2.gz JCSQVMXFVBVEMG-LBPRGKRZSA-N -1 1 299.717 2.555 20 30 CFEDMM CC(=O)c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000685418359 542910133 /nfs/dbraw/zinc/91/01/33/542910133.db2.gz DBZFHZLFTPMGIY-UHFFFAOYSA-N -1 1 280.283 2.719 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1n[nH]c(C(C)C)c1C ZINC000647278882 395267617 /nfs/dbraw/zinc/26/76/17/395267617.db2.gz RICYUXRKQUOWRK-UHFFFAOYSA-N -1 1 271.386 2.549 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1nccc(C)c1C1CC1 ZINC000656740073 413167599 /nfs/dbraw/zinc/16/75/99/413167599.db2.gz YNVIVELTSJTVFK-UHFFFAOYSA-N -1 1 280.393 2.975 20 30 CFEDMM C[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)o1)CC(C)(C)C ZINC000344763082 162116595 /nfs/dbraw/zinc/11/65/95/162116595.db2.gz STABXMVMXITRDA-NSHDSACASA-N -1 1 298.408 2.892 20 30 CFEDMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1C ZINC000344823423 162128262 /nfs/dbraw/zinc/12/82/62/162128262.db2.gz LMWKXZVYWXONTN-GRYCIOLGSA-N -1 1 296.392 2.502 20 30 CFEDMM C=C(C)CS(=O)(=O)[N-]CC(F)(F)c1ccccc1C ZINC000660055852 414656203 /nfs/dbraw/zinc/65/62/03/414656203.db2.gz IBODRGNDXJUADZ-UHFFFAOYSA-N -1 1 289.347 2.582 20 30 CFEDMM Cc1nnsc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000330162386 228053269 /nfs/dbraw/zinc/05/32/69/228053269.db2.gz AHAYHTDPOYJFLU-UHFFFAOYSA-N -1 1 264.310 2.657 20 30 CFEDMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCOCC1 ZINC000330222479 228071094 /nfs/dbraw/zinc/07/10/94/228071094.db2.gz MLNWPAFBNIPFCS-SECBINFHSA-N -1 1 253.273 2.936 20 30 CFEDMM CC[C@@H](CC#N)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000184091391 262008153 /nfs/dbraw/zinc/00/81/53/262008153.db2.gz ZKXWQFOBOIYADL-JTQLQIEISA-N -1 1 283.715 2.736 20 30 CFEDMM C[C@@H](CCC#N)Sc1nc(-c2ccccn2)n[nH]1 ZINC000188316801 262154004 /nfs/dbraw/zinc/15/40/04/262154004.db2.gz AZEIJZRNYYKQPB-VIFPVBQESA-N -1 1 259.338 2.651 20 30 CFEDMM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188276601 262288402 /nfs/dbraw/zinc/28/84/02/262288402.db2.gz YFRXSZXZIQTEOB-JTQLQIEISA-N -1 1 270.288 2.690 20 30 CFEDMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@]12CCOC2 ZINC000329741315 262375489 /nfs/dbraw/zinc/37/54/89/262375489.db2.gz ONFGUILICWMMAL-ZANVPECISA-N -1 1 251.257 2.546 20 30 CFEDMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CC[C@@H](C#N)C1 ZINC000278759496 263050700 /nfs/dbraw/zinc/05/07/00/263050700.db2.gz XTDDAXYBMSUVTB-ZJUUUORDSA-N -1 1 288.376 2.521 20 30 CFEDMM N#CC[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000295524107 263179024 /nfs/dbraw/zinc/17/90/24/263179024.db2.gz IURLUMMHJVCSPS-ONGXEEELSA-N -1 1 278.739 2.858 20 30 CFEDMM N#CCN(C(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000299446688 263242353 /nfs/dbraw/zinc/24/23/53/263242353.db2.gz LMLNBAXSPVVBRS-UHFFFAOYSA-N -1 1 266.300 2.674 20 30 CFEDMM CC1CCC(C)(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000187842456 263270686 /nfs/dbraw/zinc/27/06/86/263270686.db2.gz LMUGAWVYJAIIPN-UHFFFAOYSA-N -1 1 272.348 2.962 20 30 CFEDMM Cc1cnc(C(=O)NCCC[C@@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000331177891 264153827 /nfs/dbraw/zinc/15/38/27/264153827.db2.gz HDXNFMDGCJVZPQ-STQMWFEESA-N -1 1 292.379 2.732 20 30 CFEDMM Cc1cnc(C(=O)NCCC[C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000331177890 264154021 /nfs/dbraw/zinc/15/40/21/264154021.db2.gz HDXNFMDGCJVZPQ-QWHCGFSZSA-N -1 1 292.379 2.732 20 30 CFEDMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336447015 280323105 /nfs/dbraw/zinc/32/31/05/280323105.db2.gz PRNSTRRECHKSRT-ZWNOBZJWSA-N -1 1 258.321 2.667 20 30 CFEDMM CN(Cc1cccc(C#N)c1)C(=O)c1cc(F)ccc1[O-] ZINC000124049212 280637378 /nfs/dbraw/zinc/63/73/78/280637378.db2.gz XTLHURARZLVDQJ-UHFFFAOYSA-N -1 1 284.290 2.675 20 30 CFEDMM C[C@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344191264 290336980 /nfs/dbraw/zinc/33/69/80/290336980.db2.gz UKDQDSZOTALTMS-JQWIXIFHSA-N -1 1 296.392 2.644 20 30 CFEDMM Cn1cc(C#N)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000175525740 323664388 /nfs/dbraw/zinc/66/43/88/323664388.db2.gz ZHULUQAPQUORBU-UHFFFAOYSA-N -1 1 275.695 2.508 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1[O-] ZINC000188566120 324017724 /nfs/dbraw/zinc/01/77/24/324017724.db2.gz VZXYHHAQGIMSFD-RISCZKNCSA-N -1 1 270.332 2.669 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000232213961 329385302 /nfs/dbraw/zinc/38/53/02/329385302.db2.gz HLVXQZGTJWLRDV-VIFPVBQESA-N -1 1 272.757 2.692 20 30 CFEDMM C[C@@H](N=c1ccc(N(C)C[C@H](C)C#N)n[n-]1)c1ccccc1 ZINC000425205278 329639620 /nfs/dbraw/zinc/63/96/20/329639620.db2.gz IPXJPDZBVIMPRD-ZIAGYGMSSA-N -1 1 295.390 2.667 20 30 CFEDMM C=CC[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000160648659 330870741 /nfs/dbraw/zinc/87/07/41/330870741.db2.gz ZOSVNGQOMTWWFA-MRVPVSSYSA-N -1 1 284.153 2.849 20 30 CFEDMM CCc1cc(=O)[n-]c(S[C@H](C#N)Cc2ccc(C)cc2)n1 ZINC000195066038 331135358 /nfs/dbraw/zinc/13/53/58/331135358.db2.gz AMYPWUNIFIFZPR-AWEZNQCLSA-N -1 1 299.399 2.868 20 30 CFEDMM C=C[C@](C)(CCOC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456782828 331203551 /nfs/dbraw/zinc/20/35/51/331203551.db2.gz KPFKOQNERGZUKQ-CQSZACIVSA-N -1 1 285.290 2.838 20 30 CFEDMM C#CCN(Cc1ccc(F)cc1)C(=O)c1ncc(C)cc1[O-] ZINC000490973080 332134715 /nfs/dbraw/zinc/13/47/15/332134715.db2.gz JEFPHUWRBHQROM-UHFFFAOYSA-N -1 1 298.317 2.510 20 30 CFEDMM CC(C)(CC#N)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000315774549 333383798 /nfs/dbraw/zinc/38/37/98/333383798.db2.gz KNJUJHDTPGCUPQ-UHFFFAOYSA-N -1 1 266.728 2.715 20 30 CFEDMM N#CCc1ccccc1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000550101949 334213081 /nfs/dbraw/zinc/21/30/81/334213081.db2.gz WXSUIUNKWRBBAG-UHFFFAOYSA-N -1 1 292.298 2.988 20 30 CFEDMM C=C(C)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000154337773 334693018 /nfs/dbraw/zinc/69/30/18/334693018.db2.gz KQJMENLEXWOQSH-UHFFFAOYSA-N -1 1 259.227 2.717 20 30 CFEDMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000193359238 335968745 /nfs/dbraw/zinc/96/87/45/335968745.db2.gz DDHMRESXUOCRPA-UHFFFAOYSA-N -1 1 286.356 2.862 20 30 CFEDMM C=C1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000382505944 336091646 /nfs/dbraw/zinc/09/16/46/336091646.db2.gz WUBBZLBZYGJZGW-UHFFFAOYSA-N -1 1 251.351 2.907 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000386381542 336171908 /nfs/dbraw/zinc/17/19/08/336171908.db2.gz DMQJQALYQCOIHS-SNVBAGLBSA-N -1 1 274.292 2.668 20 30 CFEDMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188828908 523615222 /nfs/dbraw/zinc/61/52/22/523615222.db2.gz FRRGUSDVELVKIA-GXFFZTMASA-N -1 1 258.321 2.524 20 30 CFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000049487780 526008619 /nfs/dbraw/zinc/00/86/19/526008619.db2.gz AKJHZCIZGHTLRW-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1cc(C(=O)Nc2cccc([O-])c2F)ccc1F ZINC000336165027 526546923 /nfs/dbraw/zinc/54/69/23/526546923.db2.gz QUESMCOJUVUHRH-UHFFFAOYSA-N -1 1 274.226 2.794 20 30 CFEDMM C=CC1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000111632238 526977285 /nfs/dbraw/zinc/97/72/85/526977285.db2.gz YBBFJUBQVACDSK-UHFFFAOYSA-N -1 1 297.358 2.682 20 30 CFEDMM C=CC1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000111632238 526977288 /nfs/dbraw/zinc/97/72/88/526977288.db2.gz YBBFJUBQVACDSK-UHFFFAOYSA-N -1 1 297.358 2.682 20 30 CFEDMM CC(C)C1(CNC(=O)c2csc(=NC3CC3)[n-]2)CC1 ZINC000330213337 527598982 /nfs/dbraw/zinc/59/89/82/527598982.db2.gz FHFYVQUJQXKUGX-UHFFFAOYSA-N -1 1 279.409 2.880 20 30 CFEDMM CCCCC(CC)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000736438290 574052565 /nfs/dbraw/zinc/05/25/65/574052565.db2.gz IDRWDIOHURIFTI-UHFFFAOYSA-N -1 1 277.332 2.531 20 30 CFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCC2CCCCCC2)o1 ZINC000737466866 574144081 /nfs/dbraw/zinc/14/40/81/574144081.db2.gz FJYFMUYGDMYAKL-UHFFFAOYSA-N -1 1 289.343 2.531 20 30 CFEDMM CCn1cc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cn1 ZINC000732530776 574160208 /nfs/dbraw/zinc/16/02/08/574160208.db2.gz QZGHJVDUVPDBKX-ACAGNQJTSA-N -1 1 270.288 2.533 20 30 CFEDMM O=[N+]([O-])c1cccc(NN=Cc2ccc([O-])c(F)c2)c1 ZINC000755481156 574164801 /nfs/dbraw/zinc/16/48/01/574164801.db2.gz JHRNEKCERYIDPR-UHFFFAOYSA-N -1 1 275.239 2.886 20 30 CFEDMM [O-]c1ccc(CN=Nc2nccnc2Cl)cc1Cl ZINC000733079364 574187468 /nfs/dbraw/zinc/18/74/68/574187468.db2.gz IJDCWAGFRKIIRJ-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM [O-]c1ccc(C=NO[C@@H]2CCCCO2)cc1Cl ZINC000755816798 574189094 /nfs/dbraw/zinc/18/90/94/574189094.db2.gz WIFMOJYFYPSSTE-GFCCVEGCSA-N -1 1 255.701 2.923 20 30 CFEDMM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)o1 ZINC000739215501 574200945 /nfs/dbraw/zinc/20/09/45/574200945.db2.gz KBTAWLOCRAZUQP-DJWKRKHSSA-N -1 1 276.219 2.719 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccccn1 ZINC000756901689 574271419 /nfs/dbraw/zinc/27/14/19/574271419.db2.gz WOVQXFORWRPUQB-UHFFFAOYSA-N -1 1 285.303 2.625 20 30 CFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(C#N)s1 ZINC000750683634 574350979 /nfs/dbraw/zinc/35/09/79/574350979.db2.gz HTJZWCOXZAKOBU-GFCCVEGCSA-N -1 1 295.323 2.581 20 30 CFEDMM CCOc1cccc(C(C)=NNc2nc(C)cc(=O)[n-]2)c1 ZINC000743526937 574368048 /nfs/dbraw/zinc/36/80/48/574368048.db2.gz ZSWFSYMYKXAEAI-UHFFFAOYSA-N -1 1 286.335 2.725 20 30 CFEDMM COC(=O)c1cc(/C=C2/CCc3cc([O-])ccc3C2=O)c[nH]1 ZINC000753144485 574399263 /nfs/dbraw/zinc/39/92/63/574399263.db2.gz MFTLXDZJHYSELK-SDQBBNPISA-N -1 1 297.310 2.719 20 30 CFEDMM CCn1nccc1/C=C1/Oc2cc([O-])cc(C)c2C1=O ZINC000753713028 574408470 /nfs/dbraw/zinc/40/84/70/574408470.db2.gz VYJDKYNYXIZPNY-NTUHNPAUSA-N -1 1 270.288 2.533 20 30 CFEDMM C=C(C)C[C@@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000194587215 618299634 /nfs/dbraw/zinc/29/96/34/618299634.db2.gz USMRARYAXLNOEX-MRVPVSSYSA-N -1 1 254.717 2.981 20 30 CFEDMM C=CCCCN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000819739797 599563566 /nfs/dbraw/zinc/56/35/66/599563566.db2.gz ICDKRPBVZRIBON-UHFFFAOYSA-N -1 1 294.362 2.817 20 30 CFEDMM C=CCCCN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000819739797 599563568 /nfs/dbraw/zinc/56/35/68/599563568.db2.gz ICDKRPBVZRIBON-UHFFFAOYSA-N -1 1 294.362 2.817 20 30 CFEDMM CC(C)(NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000826630619 601412998 /nfs/dbraw/zinc/41/29/98/601412998.db2.gz LWXCJKQLGYTXGD-UHFFFAOYSA-N -1 1 285.265 2.510 20 30 CFEDMM O=C([O-])c1ccc(/C=C\C(=O)c2cc(F)ccc2O)o1 ZINC000833312037 601825886 /nfs/dbraw/zinc/82/58/86/601825886.db2.gz IDYRQBCZLCWBDY-DJWKRKHSSA-N -1 1 276.219 2.719 20 30 CFEDMM Cc1ccc(NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)nc1 ZINC000794901864 602074070 /nfs/dbraw/zinc/07/40/70/602074070.db2.gz JHAFMIFFTVIPSU-LBPRGKRZSA-N -1 1 299.330 2.688 20 30 CFEDMM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(C#N)cc1 ZINC000825502094 603535357 /nfs/dbraw/zinc/53/53/57/603535357.db2.gz HDTPKCYXTCIJNK-LLVKDONJSA-N -1 1 296.330 2.894 20 30 CFEDMM C=CC[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccncc1 ZINC000823491331 603553589 /nfs/dbraw/zinc/55/35/89/603553589.db2.gz VCOBDKRRQJVVPB-AWEZNQCLSA-N -1 1 298.346 2.974 20 30 CFEDMM N#Cc1ccc(O)c(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000831136598 603739566 /nfs/dbraw/zinc/73/95/66/603739566.db2.gz FUZCRLMOQBEOTC-UHFFFAOYSA-N -1 1 297.270 2.606 20 30 CFEDMM CC(=[NH+][N-]c1ccc(C(=O)[O-])cn1)c1ccccc1N(C)C ZINC000769588334 604684567 /nfs/dbraw/zinc/68/45/67/604684567.db2.gz FDFOXVKRGUWNSX-UHFFFAOYSA-N -1 1 298.346 2.682 20 30 CFEDMM C=CCOc1ccccc1CN[C@@H](C(=O)[O-])c1cccnc1 ZINC000825702306 605000517 /nfs/dbraw/zinc/00/05/17/605000517.db2.gz IXMZETFOLYXSAG-MRXNPFEDSA-N -1 1 298.342 2.562 20 30 CFEDMM C=CCCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833373359 605059913 /nfs/dbraw/zinc/05/99/13/605059913.db2.gz MHAWRYDZSOWMMT-UHFFFAOYSA-N -1 1 273.292 2.556 20 30 CFEDMM CCC[C@H](C)C(CC)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000821014080 606237448 /nfs/dbraw/zinc/23/74/48/606237448.db2.gz BNXPPKCATBTHQW-QMMMGPOBSA-N -1 1 291.359 2.777 20 30 CFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000822930033 606388341 /nfs/dbraw/zinc/38/83/41/606388341.db2.gz XRIXZPDTWOMYRY-VURMDHGXSA-N -1 1 282.328 2.824 20 30 CFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccsc1 ZINC000822928516 606391385 /nfs/dbraw/zinc/39/13/85/606391385.db2.gz IVPKIAHILFRIAD-HNQUOIGGSA-N -1 1 288.357 2.886 20 30 CFEDMM N#Cc1ccccc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822842535 606439455 /nfs/dbraw/zinc/43/94/55/606439455.db2.gz MYVYUZIVSJQLLM-UHFFFAOYSA-N -1 1 298.693 2.579 20 30 CFEDMM N#Cc1ccccc1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822842535 606439456 /nfs/dbraw/zinc/43/94/56/606439456.db2.gz MYVYUZIVSJQLLM-UHFFFAOYSA-N -1 1 298.693 2.579 20 30 CFEDMM N#Cc1ccc(Oc2cccc(-c3nnn[n-]3)n2)c(Cl)c1 ZINC000826386214 607895871 /nfs/dbraw/zinc/89/58/71/607895871.db2.gz UOJDHVMKCZBKPC-UHFFFAOYSA-N -1 1 298.693 2.579 20 30 CFEDMM N#Cc1ccc(Oc2cccc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC000826386214 607895872 /nfs/dbraw/zinc/89/58/72/607895872.db2.gz UOJDHVMKCZBKPC-UHFFFAOYSA-N -1 1 298.693 2.579 20 30 CFEDMM CC(C)(C#N)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759781 617837206 /nfs/dbraw/zinc/83/72/06/617837206.db2.gz RJOIWHXFACZFJV-UHFFFAOYSA-N -1 1 266.728 2.602 20 30 CFEDMM C=CC[C@H]1CCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000890549116 617638628 /nfs/dbraw/zinc/63/86/28/617638628.db2.gz HNRQJCSWPRCQCD-JTQLQIEISA-N -1 1 286.306 2.870 20 30 CFEDMM C=CC[C@@H]1CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000890555646 617648464 /nfs/dbraw/zinc/64/84/64/617648464.db2.gz BKTKVJXPJIPFEK-SNVBAGLBSA-N -1 1 296.164 2.945 20 30 CFEDMM Cc1ccc(F)c([O-])c1C=NOCCOC(C)C ZINC000901246500 620771527 /nfs/dbraw/zinc/77/15/27/620771527.db2.gz OEUNMNQFMHILDZ-UHFFFAOYSA-N -1 1 255.289 2.615 20 30 CFEDMM COC(=O)c1ccc(/C=C\C(=O)c2cc(C)ccc2[O-])o1 ZINC000255218555 618122990 /nfs/dbraw/zinc/12/29/90/618122990.db2.gz OMGSEVMWRRTZBZ-DAXSKMNVSA-N -1 1 286.283 2.976 20 30 CFEDMM CC(=NOC1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841632879 618168609 /nfs/dbraw/zinc/16/86/09/618168609.db2.gz HIZYHIGFWVECTJ-UHFFFAOYSA-N -1 1 269.728 2.965 20 30 CFEDMM CC(=NNCCOC(C)C)c1ccc(Cl)cc1[O-] ZINC000841634172 618176229 /nfs/dbraw/zinc/17/62/29/618176229.db2.gz PPZXJMYRMAPYFB-UHFFFAOYSA-N -1 1 270.760 2.784 20 30 CFEDMM N#Cc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)s1 ZINC000255711100 618266663 /nfs/dbraw/zinc/26/66/63/618266663.db2.gz OPMWJCAFQFPWOS-MLPAPPSSSA-N -1 1 269.281 2.942 20 30 CFEDMM CC[C@H](C)[C@H](OC)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372576 620795548 /nfs/dbraw/zinc/79/55/48/620795548.db2.gz HYCPAKIIXJFXMV-GWCFXTLKSA-N -1 1 269.316 2.605 20 30 CFEDMM COc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC000013144699 618377874 /nfs/dbraw/zinc/37/78/74/618377874.db2.gz WUFSCZGAQIOILP-UHFFFAOYSA-N -1 1 270.288 2.839 20 30 CFEDMM O=C(/C=C\c1cnn2ccccc12)c1cc(O)ccc1[O-] ZINC000255920793 618670429 /nfs/dbraw/zinc/67/04/29/618670429.db2.gz GYBBQPLVCFBANU-XQRVVYSFSA-N -1 1 280.283 2.642 20 30 CFEDMM C[C@H](CC#N)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896883843 619858427 /nfs/dbraw/zinc/85/84/27/619858427.db2.gz LWRCVRJMPOPISV-SNVBAGLBSA-N -1 1 284.315 2.625 20 30 CFEDMM C=C(CC)C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000832634915 625441110 /nfs/dbraw/zinc/44/11/10/625441110.db2.gz XPGWWBTUKVAEHE-UHFFFAOYSA-N -1 1 295.191 2.633 20 30 CFEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1cc2n(n1)CCCC2 ZINC000901563212 620858427 /nfs/dbraw/zinc/85/84/27/620858427.db2.gz MAKSNJVKOARDGT-FNORWQNLSA-N -1 1 286.306 2.960 20 30 CFEDMM CC1(C(=O)[O-])CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000903408445 621363802 /nfs/dbraw/zinc/36/38/02/621363802.db2.gz HXEWFQBPKORAOA-UHFFFAOYSA-N -1 1 292.766 2.898 20 30 CFEDMM CO[C@@H](C(=O)N([O-])Cc1ccccc1Cl)C(C)C ZINC000904189948 621546007 /nfs/dbraw/zinc/54/60/07/621546007.db2.gz DENCPHJZOBUMMA-GFCCVEGCSA-N -1 1 271.744 2.729 20 30 CFEDMM CCOC(C)(C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904192170 621546424 /nfs/dbraw/zinc/54/64/24/621546424.db2.gz COENFWAQVMWQHX-UHFFFAOYSA-N -1 1 271.744 2.873 20 30 CFEDMM N#CC1(CC(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908708216 622266995 /nfs/dbraw/zinc/26/69/95/622266995.db2.gz QZLIKSXTFHLMRV-UHFFFAOYSA-N -1 1 295.136 2.787 20 30 CFEDMM CC[C@@](C)(C#N)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910988752 622496228 /nfs/dbraw/zinc/49/62/28/622496228.db2.gz SCDWOLGKRKMSPL-LBPRGKRZSA-N -1 1 254.236 2.549 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCC[C@H]2C=CCC2)c1 ZINC000834326546 625610170 /nfs/dbraw/zinc/61/01/70/625610170.db2.gz HCBYSLAVNOOZBX-LBPRGKRZSA-N -1 1 270.332 2.740 20 30 CFEDMM C#CCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000174576212 623431465 /nfs/dbraw/zinc/43/14/65/623431465.db2.gz RTUPKQGGMKYCQY-UHFFFAOYSA-N -1 1 253.301 2.689 20 30 CFEDMM C=CCCC[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000827866775 624116441 /nfs/dbraw/zinc/11/64/41/624116441.db2.gz QAHOFGLEMARFTH-VIFPVBQESA-N -1 1 267.300 2.712 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1 ZINC000828147727 624185752 /nfs/dbraw/zinc/18/57/52/624185752.db2.gz FAOBGSMKYSVHGE-ZSOGYDGISA-N -1 1 270.332 2.795 20 30 CFEDMM COc1ccc(Cl)cc1C=NNc1nc(C)cc(=O)[n-]1 ZINC000917529550 624354153 /nfs/dbraw/zinc/35/41/53/624354153.db2.gz QUSWYYUNHRJNSV-UHFFFAOYSA-N -1 1 292.726 2.599 20 30 CFEDMM C[C@H](C#N)CN(C[C@H](C)C(=O)c1ccc([O-])cc1)C1CC1 ZINC000930086192 624587027 /nfs/dbraw/zinc/58/70/27/624587027.db2.gz KZPQRUYIPDBTKH-OLZOCXBDSA-N -1 1 286.375 2.835 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1ccc(C#N)c(C)n1 ZINC000830130140 624638169 /nfs/dbraw/zinc/63/81/69/624638169.db2.gz CZYUTQGYTMDDSX-UHFFFAOYSA-N -1 1 295.408 2.974 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2csc(C(C)(C)C)n2)n1 ZINC000920359180 624714060 /nfs/dbraw/zinc/71/40/60/624714060.db2.gz IIWFKODCWMPPKJ-UHFFFAOYSA-N -1 1 291.380 2.691 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CC(C)(C)c3ccccc32)n1 ZINC000920360294 624714381 /nfs/dbraw/zinc/71/43/81/624714381.db2.gz VZTPVICOAIEUMJ-UHFFFAOYSA-N -1 1 282.347 2.988 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC2CCc3ccccc3CC2)n1 ZINC000834912760 625920674 /nfs/dbraw/zinc/92/06/74/625920674.db2.gz QYAUUDLPKMPXPB-UHFFFAOYSA-N -1 1 282.347 2.838 20 30 CFEDMM C=C(C)C(C)(C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000819509102 625981919 /nfs/dbraw/zinc/98/19/19/625981919.db2.gz AAUCYWBDFYMFOK-UHFFFAOYSA-N -1 1 254.717 2.981 20 30 CFEDMM C=CC(C)(C)CNC(=O)NCCc1c(F)cc([O-])cc1F ZINC000922712997 626348707 /nfs/dbraw/zinc/34/87/07/626348707.db2.gz ZRTWLQXWWRZZNZ-UHFFFAOYSA-N -1 1 298.333 2.724 20 30 CFEDMM Cc1cc(C)nc(N=NC(C)c2cc(F)cc(F)c2[O-])n1 ZINC000757451607 626552385 /nfs/dbraw/zinc/55/23/85/626552385.db2.gz VMDHLMLNPKBRAF-UHFFFAOYSA-N -1 1 292.289 2.913 20 30 CFEDMM Cc1ccc([O-])c(C(=O)/C=C\c2ccc3c(c2)nnn3C)c1 ZINC000757467515 626552947 /nfs/dbraw/zinc/55/29/47/626552947.db2.gz FFZSFYGBZRZNMC-YVMONPNESA-N -1 1 293.326 2.878 20 30 CFEDMM CC(C)(C#N)CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000757907459 626567272 /nfs/dbraw/zinc/56/72/72/626567272.db2.gz UTJKKGAOVVSXKH-UHFFFAOYSA-N -1 1 283.715 2.593 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2cc(Cl)ccc2O)nc1 ZINC000763369839 626983737 /nfs/dbraw/zinc/98/37/37/626983737.db2.gz JLXAIEDSJABZMJ-UHFFFAOYSA-N -1 1 291.694 2.585 20 30 CFEDMM CC#CCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000765500949 627143685 /nfs/dbraw/zinc/14/36/85/627143685.db2.gz DYTUNORWNFNTFR-UHFFFAOYSA-N -1 1 283.121 2.725 20 30 CFEDMM CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765744237 627155684 /nfs/dbraw/zinc/15/56/84/627155684.db2.gz KKYGMOFJQANLNF-VIFPVBQESA-N -1 1 270.254 2.726 20 30 CFEDMM COc1c([O-])c(C=NNc2ccccc2)ccc1[N+](=O)[O-] ZINC000772991839 627765779 /nfs/dbraw/zinc/76/57/79/627765779.db2.gz XEUCGVGLRBGCQQ-UHFFFAOYSA-N -1 1 287.275 2.755 20 30 CFEDMM CCC(CC)CNN=Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000773074913 627779291 /nfs/dbraw/zinc/77/92/91/627779291.db2.gz RBJCKUMGIAXSIH-UHFFFAOYSA-N -1 1 295.339 2.669 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC[C@H]2C(C)=CCC[C@H]2C)n1 ZINC000773179566 627793009 /nfs/dbraw/zinc/79/30/09/627793009.db2.gz DCHGSRRDMXPINA-PWSUYJOCSA-N -1 1 260.341 2.881 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2CCCc3ccc(F)cc32)n1 ZINC000776176942 628111956 /nfs/dbraw/zinc/11/19/56/628111956.db2.gz FNSGKWAAEXHQKL-UHFFFAOYSA-N -1 1 286.310 2.782 20 30 CFEDMM CC(N=Nc1ccnc(F)c1)c1ccc(CC(=O)[O-])cc1 ZINC000781134089 628525335 /nfs/dbraw/zinc/52/53/35/628525335.db2.gz QNVQSWHWIWMSQV-UHFFFAOYSA-N -1 1 287.294 2.684 20 30 CFEDMM Cc1cc(Br)c([O-])c(C=NN[C@@H](C)CC#N)c1 ZINC000781596686 628563977 /nfs/dbraw/zinc/56/39/77/628563977.db2.gz LAUZJROXOLSKBH-VIFPVBQESA-N -1 1 296.168 2.689 20 30 CFEDMM Cc1cc(Br)c([O-])c(C=NNCC(F)F)c1 ZINC000781594689 628563284 /nfs/dbraw/zinc/56/32/84/628563284.db2.gz QGUIDRYENIRQCG-UHFFFAOYSA-N -1 1 293.111 2.652 20 30 CFEDMM CCCNN=Cc1cc(C)cc(Br)c1[O-] ZINC000781589679 628563594 /nfs/dbraw/zinc/56/35/94/628563594.db2.gz MPEPBMYRNJBWJQ-UHFFFAOYSA-N -1 1 271.158 2.797 20 30 CFEDMM CC(C)(C)SCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000785408247 628880540 /nfs/dbraw/zinc/88/05/40/628880540.db2.gz KVHRNURWQOHVRR-UHFFFAOYSA-N -1 1 278.377 2.525 20 30 CFEDMM Cc1cc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)no1 ZINC000787637679 629023191 /nfs/dbraw/zinc/02/31/91/629023191.db2.gz QIMVAGSSMNDMJJ-HNNXBMFYSA-N -1 1 297.314 2.538 20 30 CFEDMM CC(=NNc1ncccc1C)c1ccc(C(=O)[O-])cc1 ZINC000790193885 629218860 /nfs/dbraw/zinc/21/88/60/629218860.db2.gz RDWJCSAMXBGHFD-UHFFFAOYSA-N -1 1 269.304 2.924 20 30 CFEDMM COc1c([O-])c(C=NN[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000793112292 629488458 /nfs/dbraw/zinc/48/84/58/629488458.db2.gz RRWIUSVJDGFAKQ-VIFPVBQESA-N -1 1 295.339 2.667 20 30 CFEDMM CC[C@@H](C)CON=C1Oc2cc([O-])cc(C)c2C1=O ZINC000793145386 629492480 /nfs/dbraw/zinc/49/24/80/629492480.db2.gz JAKPNNHREUHHBY-MRVPVSSYSA-N -1 1 263.293 2.652 20 30 CFEDMM [O-]c1ccc(C=NNCCC(F)(F)F)cc1Cl ZINC000794546186 629659479 /nfs/dbraw/zinc/65/94/79/629659479.db2.gz RSXZWPGJCYLCEE-UHFFFAOYSA-N -1 1 266.650 2.922 20 30 CFEDMM [O-]c1c(F)cc(CN=Nc2ncccc2F)cc1F ZINC000794993650 629719033 /nfs/dbraw/zinc/71/90/33/629719033.db2.gz NPVFNKUQBWLFCD-UHFFFAOYSA-N -1 1 267.210 2.651 20 30 CFEDMM CC(=NNc1cccc(F)n1)c1ccc(C(=O)[O-])c(F)c1 ZINC000795006260 629722941 /nfs/dbraw/zinc/72/29/41/629722941.db2.gz LGTZYVUJKIDPOY-UHFFFAOYSA-N -1 1 291.257 2.894 20 30 CFEDMM COCCCON=C(C)c1ccc([O-])c(Cl)c1 ZINC000795047878 629729219 /nfs/dbraw/zinc/72/92/19/629729219.db2.gz BQQIPXDDYDFCOH-UHFFFAOYSA-N -1 1 257.717 2.823 20 30 CFEDMM C=CCO[N-]C(=O)Cc1sc(SC(F)F)nc1C ZINC000837047938 630944790 /nfs/dbraw/zinc/94/47/90/630944790.db2.gz HYNBEUHMLFUBQR-UHFFFAOYSA-N -1 1 294.348 2.543 20 30 CFEDMM N#CC1(COC(=O)c2c([O-])cc(F)cc2F)CCC1 ZINC000837477238 631042505 /nfs/dbraw/zinc/04/25/05/631042505.db2.gz SUVPIQADEYWHFX-UHFFFAOYSA-N -1 1 267.231 2.521 20 30 CFEDMM CC(C)(CC#N)CNC(=O)c1c([O-])cccc1Cl ZINC000837888679 631147795 /nfs/dbraw/zinc/14/77/95/631147795.db2.gz HEKOAHHXVHQHQD-UHFFFAOYSA-N -1 1 266.728 2.715 20 30 CFEDMM CC(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccn1 ZINC000809687773 631264049 /nfs/dbraw/zinc/26/40/49/631264049.db2.gz QMRAEJJUODCJNB-MRXNPFEDSA-N -1 1 295.342 2.786 20 30 CFEDMM Cc1c(NC(=O)c2cc([O-])cc(C#N)c2)cccc1N(C)C ZINC000809749096 631279614 /nfs/dbraw/zinc/27/96/14/631279614.db2.gz BKDWOQKQVMFVNC-UHFFFAOYSA-N -1 1 295.342 2.891 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC=C(c3ccccc3)C2)c1 ZINC000809749245 631280196 /nfs/dbraw/zinc/28/01/96/631280196.db2.gz FJFCNQDAJPRNEG-UHFFFAOYSA-N -1 1 290.322 2.803 20 30 CFEDMM C#Cc1ccccc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000810576980 631395115 /nfs/dbraw/zinc/39/51/15/631395115.db2.gz JDCPEJOQMUTUNT-UHFFFAOYSA-N -1 1 269.275 2.694 20 30 CFEDMM Cc1cc(C(=O)/C=C/c2nc(C#N)cs2)ccc1[O-] ZINC000811690095 631606409 /nfs/dbraw/zinc/60/64/09/631606409.db2.gz UPQJMGVYMXYJGV-SNAWJCMRSA-N -1 1 270.313 2.925 20 30 CFEDMM COC(=O)c1cc(/C=C/C(=O)c2cc(C)ccc2[O-])cn1C ZINC000811693706 631607344 /nfs/dbraw/zinc/60/73/44/631607344.db2.gz OUODJVFXZYKBPS-FNORWQNLSA-N -1 1 299.326 2.722 20 30 CFEDMM C#CCO[N-]C(=O)CCCOc1cccc2ccccc21 ZINC000812785187 631774612 /nfs/dbraw/zinc/77/46/12/631774612.db2.gz VVIKZVBWKHVOEH-UHFFFAOYSA-N -1 1 283.327 2.680 20 30 CFEDMM C#CC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000843681808 632024829 /nfs/dbraw/zinc/02/48/29/632024829.db2.gz PSQQEGFAKONIEJ-NSHDSACASA-N -1 1 277.751 2.921 20 30 CFEDMM C#CC[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000843998421 632090647 /nfs/dbraw/zinc/09/06/47/632090647.db2.gz CLANRFSFNZDQIZ-LLVKDONJSA-N -1 1 277.751 2.921 20 30 CFEDMM O=C([O-])c1cccc(C=NN=c2[nH]c3ccccc3[nH]2)c1 ZINC000814708582 632111821 /nfs/dbraw/zinc/11/18/21/632111821.db2.gz JLDOLWPWRKLXMX-UHFFFAOYSA-N -1 1 280.287 2.707 20 30 CFEDMM COc1ccc(NN=Cc2cccc([O-])c2Cl)nc1 ZINC000814907906 632158823 /nfs/dbraw/zinc/15/88/23/632158823.db2.gz CFWIRCQGMJPOSH-UHFFFAOYSA-N -1 1 277.711 2.895 20 30 CFEDMM [O-]c1cccc(C=NN[C@H](CO)c2ccccc2)c1Cl ZINC000814920065 632165028 /nfs/dbraw/zinc/16/50/28/632165028.db2.gz YZRZPYMINGERQH-CYBMUJFWSA-N -1 1 290.750 2.703 20 30 CFEDMM CCCC1N=NC(=S)N1N=Cc1cccc([O-])c1Cl ZINC000814932583 632171118 /nfs/dbraw/zinc/17/11/18/632171118.db2.gz KCZOQGCPLXHYGB-UHFFFAOYSA-N -1 1 296.783 2.761 20 30 CFEDMM N#Cc1c(=O)[n-]cc2c1CCCC2=NOCCC(F)(F)F ZINC000844591641 632257168 /nfs/dbraw/zinc/25/71/68/632257168.db2.gz PSTXRSVKUWDSTC-UHFFFAOYSA-N -1 1 299.252 2.668 20 30 CFEDMM Cc1c(NNC=C2CC2(F)F)cccc1C(=O)[O-] ZINC000844622300 632265805 /nfs/dbraw/zinc/26/58/05/632265805.db2.gz BRZATDVBXCBGNQ-MRVPVSSYSA-N -1 1 254.236 2.746 20 30 CFEDMM C#CCCN(CCOC)C(=O)c1ccc2ccccc2c1[O-] ZINC000856386364 635802482 /nfs/dbraw/zinc/80/24/82/635802482.db2.gz YWFOXWCXPMNCNP-UHFFFAOYSA-N -1 1 297.354 2.657 20 30 CFEDMM C=C(C)CONC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000846540403 632729594 /nfs/dbraw/zinc/72/95/94/632729594.db2.gz TZCRDJOKBPEECS-UHFFFAOYSA-N -1 1 285.727 2.682 20 30 CFEDMM C#C[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000848281216 633230715 /nfs/dbraw/zinc/23/07/15/633230715.db2.gz WKCTZJSTIHKASL-SNVBAGLBSA-N -1 1 263.724 2.531 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cc3n(n1)CCCC3)O2 ZINC000848638371 633305547 /nfs/dbraw/zinc/30/55/47/633305547.db2.gz GVXSJJLDYVFYRZ-OVCLIPMQSA-N -1 1 296.326 2.850 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cc2n(n1)CCCC2 ZINC000848641249 633306910 /nfs/dbraw/zinc/30/69/10/633306910.db2.gz BDMJDDJIYNEKJV-WQLSENKSSA-N -1 1 280.327 2.747 20 30 CFEDMM CC(=O)c1ccc([O-])c(CCOC(=O)CCCCC#N)c1 ZINC000848865053 633355525 /nfs/dbraw/zinc/35/55/25/633355525.db2.gz SMMGCBHCOUNRAF-UHFFFAOYSA-N -1 1 289.331 2.764 20 30 CFEDMM CCCCCCCCOCC(=O)Nc1c(C)[n-][nH]c1=O ZINC000854634980 635353018 /nfs/dbraw/zinc/35/30/18/635353018.db2.gz KWHISBVRGXLPGS-UHFFFAOYSA-N -1 1 283.372 2.739 20 30 CFEDMM Cn1nc2c(c1/C=C/C(=O)c1ccc([O-])cc1)CCCC2 ZINC000865213379 638224132 /nfs/dbraw/zinc/22/41/32/638224132.db2.gz XZFRGMKZFFRECM-ZHACJKMWSA-N -1 1 282.343 2.901 20 30 CFEDMM Cn1nc2c(c1/C=C1\Oc3cc([O-])ccc3C1=O)CCCC2 ZINC000865217155 638225232 /nfs/dbraw/zinc/22/52/32/638225232.db2.gz KOGPGTGTQGWPKL-SXGWCWSVSA-N -1 1 296.326 2.621 20 30 CFEDMM C=C(CSc1nc(C)c(C2CC2)c(=O)[n-]1)C(=O)OCC ZINC000865373275 638290501 /nfs/dbraw/zinc/29/05/01/638290501.db2.gz MTNBTJVLEKUGDL-UHFFFAOYSA-N -1 1 294.376 2.579 20 30 CFEDMM C=C1CC(C)(C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000867713691 638893908 /nfs/dbraw/zinc/89/39/08/638893908.db2.gz WNNKXOZYSSVCIW-UHFFFAOYSA-N -1 1 252.701 2.735 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC000870690630 639773572 /nfs/dbraw/zinc/77/35/72/639773572.db2.gz RUCKSDAVWCXXLQ-QWRGUYRKSA-N -1 1 298.264 2.947 20 30 CFEDMM Cc1[n-]n(-c2ccc(C#N)c(C(F)(F)F)c2)c(=O)c1F ZINC000871949484 641524537 /nfs/dbraw/zinc/52/45/37/641524537.db2.gz BRTHUEHKYBYIGZ-SNVBAGLBSA-N -1 1 285.200 2.638 20 30 CFEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=Nn2cccn2)cs1 ZINC000872392909 641788800 /nfs/dbraw/zinc/78/88/00/641788800.db2.gz CTCNOEIZECTVCN-UHFFFAOYSA-N -1 1 293.352 2.569 20 30 CFEDMM C#C[C@H](CCC)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872985411 641977901 /nfs/dbraw/zinc/97/79/01/641977901.db2.gz JJBQMVZHGIWDJZ-LLVKDONJSA-N -1 1 280.755 2.647 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc3ccccc3o2)c(=O)o1 ZINC000131079049 645620233 /nfs/dbraw/zinc/62/02/33/645620233.db2.gz VTQVIEZHDGWZBZ-FYCOFBDGSA-N -1 1 296.278 2.661 20 30 CFEDMM O=C(/C=C/c1cnc2ccccn12)c1ccc([O-])cc1 ZINC000133155153 646039329 /nfs/dbraw/zinc/03/93/29/646039329.db2.gz SIHMSVKIOPXZJK-RMKNXTFCSA-N -1 1 264.284 2.936 20 30 CFEDMM C=C(Cl)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000134856638 646392459 /nfs/dbraw/zinc/39/24/59/646392459.db2.gz BACMNTCKQVYZFL-UHFFFAOYSA-N -1 1 284.139 2.510 20 30 CFEDMM C#CCC1(NC(=O)c2ccc(C#N)c([O-])c2)CCCCC1 ZINC000886655780 647091270 /nfs/dbraw/zinc/09/12/70/647091270.db2.gz FLJLGWNGKOYOOP-UHFFFAOYSA-N -1 1 282.343 2.720 20 30 CFEDMM C=CCN(C(=O)NCCc1c(F)cc([O-])cc1F)C1CC1 ZINC000927786036 648833608 /nfs/dbraw/zinc/83/36/08/648833608.db2.gz PWLZFFNZWWOBRQ-UHFFFAOYSA-N -1 1 296.317 2.573 20 30 CFEDMM C#CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)C ZINC000928625067 648937908 /nfs/dbraw/zinc/93/79/08/648937908.db2.gz ODHKAEACAHWOQO-UHFFFAOYSA-N -1 1 285.265 2.895 20 30 CFEDMM C[C@H](CN([C@@H](C)C#N)C1CC1)C(=O)c1ccc([O-])cc1 ZINC000930973053 649358858 /nfs/dbraw/zinc/35/88/58/649358858.db2.gz GEEKWYPLXFRWKQ-NEPJUHHUSA-N -1 1 272.348 2.587 20 30 CFEDMM O=[N+]([O-])c1ccc([O-])c(C=NNc2nc3ccccc3[nH]2)c1 ZINC000254833540 651096493 /nfs/dbraw/zinc/09/64/93/651096493.db2.gz INTFNAOTAHTHOX-UHFFFAOYSA-N -1 1 297.274 2.623 20 30 CFEDMM COc1ncc(-c2cc(F)cc(F)c2[O-])cc1C#N ZINC001243503001 782239213 /nfs/dbraw/zinc/23/92/13/782239213.db2.gz DMHZOGCATSXARH-UHFFFAOYSA-N -1 1 262.215 2.613 20 30 CFEDMM C[C@H](Oc1ccc([O-])c(C#N)c1C#N)c1nccs1 ZINC001227622073 777859961 /nfs/dbraw/zinc/85/99/61/777859961.db2.gz IJYCLXHWFWMPBP-QMMMGPOBSA-N -1 1 271.301 2.732 20 30 CFEDMM C=CCC[C@@H](CC)OCCCC[P@](=O)([O-])O ZINC001225019025 778815400 /nfs/dbraw/zinc/81/54/00/778815400.db2.gz PCPPNQHXYXZWHR-LLVKDONJSA-N -1 1 250.275 2.706 20 30 CFEDMM COc1cc(/C=C2\Cc3cc([O-])ccc3C2=O)ccc1O ZINC000588535024 770950293 /nfs/dbraw/zinc/95/02/93/770950293.db2.gz DDYNQDZWWIWJDL-WUXMJOGZSA-N -1 1 282.295 2.929 20 30 CFEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cccc(O)c1 ZINC000588535050 770951195 /nfs/dbraw/zinc/95/11/95/770951195.db2.gz KUFVDOFKDZGYOH-SDQBBNPISA-N -1 1 252.269 2.920 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cs2)c(=O)o1 ZINC000588601286 775268907 /nfs/dbraw/zinc/26/89/07/775268907.db2.gz HINUXYOBBWKSNM-DLGQBQFBSA-N -1 1 296.731 2.630 20 30 CFEDMM C=CC[C@H](OCCCC[P@](=O)([O-])O)C(C)C ZINC001225019078 775335608 /nfs/dbraw/zinc/33/56/08/775335608.db2.gz QPNAXSYBCQWFIJ-NSHDSACASA-N -1 1 250.275 2.562 20 30 CFEDMM CC[C@H](C#Cc1ccccc1)OCCCC[P@](=O)([O-])O ZINC001225018565 775336255 /nfs/dbraw/zinc/33/62/55/775336255.db2.gz ATJQGHJUKZTQBO-OAHLLOKOSA-N -1 1 296.303 2.791 20 30 CFEDMM C=C[C@@H](C#CC(C)(C)C)OCCCC[P@](=O)([O-])O ZINC001225019208 775338088 /nfs/dbraw/zinc/33/80/88/775338088.db2.gz UPYNSZFWGDGMJH-LBPRGKRZSA-N -1 1 274.297 2.565 20 30 CFEDMM C=CC[C@H](CCCC)Oc1nc(=O)[n-]cc1C(=O)OCC ZINC001225900139 775628545 /nfs/dbraw/zinc/62/85/45/775628545.db2.gz AOBNJHDDJLYHPS-LLVKDONJSA-N -1 1 294.351 2.873 20 30 CFEDMM [O-]/N=C/c1cccc(OC[C@@H]2COc3ccccc3O2)c1 ZINC001226114452 775704129 /nfs/dbraw/zinc/70/41/29/775704129.db2.gz JVECTNMLCCRGDZ-IREQLNLFSA-N -1 1 285.299 2.714 20 30 CFEDMM N#C[C@H]1CC[C@@H](Oc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC001226181162 775727907 /nfs/dbraw/zinc/72/79/07/775727907.db2.gz ANFFEWPLDQCVPG-WCQYABFASA-N -1 1 281.315 2.920 20 30 CFEDMM C=CC[C@@H](CCC)Oc1[n-]c(=S)ncc1OC ZINC001226242472 775750607 /nfs/dbraw/zinc/75/06/07/775750607.db2.gz NWKOWYJVAFMGQY-VIFPVBQESA-N -1 1 254.355 2.898 20 30 CFEDMM COc1ccc([C@@H](C)Oc2nccc(/C=N/[O-])n2)c(F)c1 ZINC001226256718 775757857 /nfs/dbraw/zinc/75/78/57/775757857.db2.gz VSIIHMRINBJFGC-YFEDRJBBSA-N -1 1 291.282 2.572 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCOC[C@H]1F ZINC001227123513 776108318 /nfs/dbraw/zinc/10/83/18/776108318.db2.gz XVAWPQZNSRHKSO-HIFRSBDPSA-N -1 1 294.322 2.829 20 30 CFEDMM C[C@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccncc1 ZINC001227614728 776243915 /nfs/dbraw/zinc/24/39/15/776243915.db2.gz JOIYBOWSEMKXKX-JTQLQIEISA-N -1 1 265.272 2.671 20 30 CFEDMM N#Cc1c([O-])ccc(O[C@@H]2CCC(F)(F)C2)c1C#N ZINC001227621304 776246963 /nfs/dbraw/zinc/24/69/63/776246963.db2.gz CLIVRACEXPIUGC-MRVPVSSYSA-N -1 1 264.231 2.702 20 30 CFEDMM O=C1C=C[C@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227645820 776249833 /nfs/dbraw/zinc/24/98/33/776249833.db2.gz LQIYWIOEDAZORF-ZETCQYMHSA-N -1 1 259.088 2.975 20 30 CFEDMM N#C[C@H]1CC[C@@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229128737 776727206 /nfs/dbraw/zinc/72/72/06/776727206.db2.gz BQNQITLRQZIPGG-GXSJLCMTSA-N -1 1 271.272 2.570 20 30 CFEDMM C#C[C@H]1CCC[C@@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135849 776729117 /nfs/dbraw/zinc/72/91/17/776729117.db2.gz RGBDPIRIBQZVKB-GWCFXTLKSA-N -1 1 270.284 2.679 20 30 CFEDMM O=C1C=C[C@@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229406129 776803418 /nfs/dbraw/zinc/80/34/18/776803418.db2.gz KWTUQGDVZAMIGB-SSDOTTSWSA-N -1 1 259.088 2.975 20 30 CFEDMM C#C[C@H]1CCC[C@@H]1Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229754026 776887840 /nfs/dbraw/zinc/88/78/40/776887840.db2.gz KCIMQUJXVXADNR-GWCFXTLKSA-N -1 1 261.277 2.790 20 30 CFEDMM COc1c(O[C@H](C)c2ccccc2C#N)nc(C)[n-]c1=O ZINC001230026307 776943965 /nfs/dbraw/zinc/94/39/65/776943965.db2.gz PPWNAMKZDDRQHO-SECBINFHSA-N -1 1 285.303 2.511 20 30 CFEDMM C#C[C@@H](Oc1nc(C(=O)OC)c[n-]1)[C@H](CC)CCCC ZINC001230280717 776970385 /nfs/dbraw/zinc/97/03/85/776970385.db2.gz ZPVXBEWVCLKAKF-DGCLKSJQSA-N -1 1 278.352 2.793 20 30 CFEDMM C=CCS(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000710939498 777144676 /nfs/dbraw/zinc/14/46/76/777144676.db2.gz WLQXZVGWLLGUDF-UHFFFAOYSA-N -1 1 281.255 2.513 20 30 CFEDMM N#CCCN(Cc1cc(C(=O)[O-])ccc1O)C1CCCC1 ZINC001231563377 777262170 /nfs/dbraw/zinc/26/21/70/777262170.db2.gz JAVWNOKFKNRXIX-UHFFFAOYSA-N -1 1 288.347 2.749 20 30 CFEDMM COc1cnc(=S)[n-]c1O[C@@H](C)CC(C)(C)S ZINC001226246393 777488546 /nfs/dbraw/zinc/48/85/46/777488546.db2.gz PWEDGAFARQMBPI-ZETCQYMHSA-N -1 1 274.411 2.640 20 30 CFEDMM N#Cc1ccc([O-])c(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c1 ZINC001232673186 777636291 /nfs/dbraw/zinc/63/62/91/777636291.db2.gz BUFGKMLTCSTNLS-GJZGRUSLSA-N -1 1 284.359 2.597 20 30 CFEDMM N#Cc1ccc([O-])c(CN2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001232673188 777636408 /nfs/dbraw/zinc/63/64/08/777636408.db2.gz BUFGKMLTCSTNLS-LSDHHAIUSA-N -1 1 284.359 2.597 20 30 CFEDMM N#Cc1ccc([O-])c(CN2CCO[C@@H](c3ccccc3)C2)c1 ZINC001232678257 777638109 /nfs/dbraw/zinc/63/81/09/777638109.db2.gz RZRFNCRJLNBOSN-GOSISDBHSA-N -1 1 294.354 2.837 20 30 CFEDMM N#CC[C@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232973100 777749431 /nfs/dbraw/zinc/74/94/31/777749431.db2.gz MNNXWUCULXCNKP-SNVBAGLBSA-N -1 1 266.291 2.796 20 30 CFEDMM C#CCN(C(=O)c1cc(Cl)ccc1[O-])C(C)C ZINC000688885675 777889058 /nfs/dbraw/zinc/88/90/58/777889058.db2.gz GWUQBJOOKMNMCZ-UHFFFAOYSA-N -1 1 251.713 2.529 20 30 CFEDMM C[C@@H](C#N)N(C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418899 777942995 /nfs/dbraw/zinc/94/29/95/777942995.db2.gz APHPFBVRGCIDIF-QMMMGPOBSA-N -1 1 258.243 2.755 20 30 CFEDMM C#C[C@H](Oc1ccc(/C=N/[O-])cc1OC)c1ccncc1 ZINC001233803846 778082216 /nfs/dbraw/zinc/08/22/16/778082216.db2.gz SSPUHYZLVMXHDO-BGARDKSCSA-N -1 1 282.299 2.652 20 30 CFEDMM C#C[C@H]1CCC[C@@H]1Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234043964 778151208 /nfs/dbraw/zinc/15/12/08/778151208.db2.gz HEVVDHKPBYQLJZ-GWCFXTLKSA-N -1 1 284.315 2.530 20 30 CFEDMM C=C[C@@H](CCC)Oc1c(C(=O)OC)nc(C(C)C)[n-]c1=O ZINC001234559861 778252807 /nfs/dbraw/zinc/25/28/07/778252807.db2.gz JQGXISLJQMBJEL-JTQLQIEISA-N -1 1 294.351 2.826 20 30 CFEDMM COC(=O)CC1CCC(Oc2ccccc2C=N[O-])CC1 ZINC001234820267 778302624 /nfs/dbraw/zinc/30/26/24/778302624.db2.gz UGSVSNRHSVRNLA-UHFFFAOYSA-N -1 1 291.347 2.995 20 30 CFEDMM C[C@]1(F)CCN(Cc2cc(C#N)ccc2[O-])C[C@@H]1F ZINC001232673773 778961462 /nfs/dbraw/zinc/96/14/62/778961462.db2.gz NAMYITXJQCNLIG-KBPBESRZSA-N -1 1 266.291 2.536 20 30 CFEDMM Cc1noc(Nc2cc(F)cc(F)c2[O-])c1C#N ZINC001212477508 780392231 /nfs/dbraw/zinc/39/22/31/780392231.db2.gz HAQSGNGAGOQVJT-UHFFFAOYSA-N -1 1 251.192 2.582 20 30 CFEDMM N#CCc1cncc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242153204 781304024 /nfs/dbraw/zinc/30/40/24/781304024.db2.gz UAYPBEZXPCOVRX-UHFFFAOYSA-N -1 1 279.221 2.934 20 30 CFEDMM CS(=O)(=O)c1ccc(-c2cccc(/C=N/[O-])c2)c(F)c1 ZINC001242191555 781319599 /nfs/dbraw/zinc/31/95/99/781319599.db2.gz WWJSSQYZVCARRB-CXUHLZMHSA-N -1 1 293.319 2.704 20 30 CFEDMM N#Cc1cc(-c2ncnc3c2SCCC3)ccc1[O-] ZINC001242563555 781602645 /nfs/dbraw/zinc/60/26/45/781602645.db2.gz HCBLYBXFJFEHLT-UHFFFAOYSA-N -1 1 269.329 2.759 20 30 CFEDMM Cc1nc2cccnc2c(-c2ccc([O-])c(C#N)c2)n1 ZINC001242564364 781603128 /nfs/dbraw/zinc/60/31/28/781603128.db2.gz WRVSAQNUQQMXJP-UHFFFAOYSA-N -1 1 262.272 2.578 20 30 CFEDMM C[S@](=O)c1ccccc1-c1ccc([O-])c(C#N)c1 ZINC001242564616 781603255 /nfs/dbraw/zinc/60/32/55/781603255.db2.gz JPWCUJGHLUIESC-SFHVURJKSA-N -1 1 257.314 2.668 20 30 CFEDMM N#Cc1cc(-c2ccc3c(c2)NC(=O)NC3)ccc1[O-] ZINC001242564984 781603336 /nfs/dbraw/zinc/60/33/36/781603336.db2.gz FDGMMXGHDHNGDC-UHFFFAOYSA-N -1 1 265.272 2.566 20 30 CFEDMM N#Cc1cc(-c2ccc(N3C(=O)CCC3=O)cc2)ccc1[O-] ZINC001242565152 781603403 /nfs/dbraw/zinc/60/34/03/781603403.db2.gz OGDQMCMGKYKCFW-UHFFFAOYSA-N -1 1 292.294 2.584 20 30 CFEDMM CN1Cc2cc(-c3ccc([O-])c(C#N)c3)ccc2C1=O ZINC001242565053 781603702 /nfs/dbraw/zinc/60/37/02/781603702.db2.gz ITRXSFZGHUCJSV-UHFFFAOYSA-N -1 1 264.284 2.516 20 30 CFEDMM [O-]/N=C/c1cccc(-c2cnc(C(F)(F)F)nc2)c1 ZINC001242663185 781681060 /nfs/dbraw/zinc/68/10/60/781681060.db2.gz ZUYZAWUYCUNQCE-BLLMUTORSA-N -1 1 267.210 2.971 20 30 CFEDMM C[C@@H](CC(F)(F)F)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596197364 349824705 /nfs/dbraw/zinc/82/47/05/349824705.db2.gz UJYTXHZHGBYHBL-BYPYZUCNSA-N -1 1 269.679 2.843 20 30 CFEDMM CN(CC(C)(C)C#N)C(=O)c1cc(Cl)ccc1[O-] ZINC000336157841 529842871 /nfs/dbraw/zinc/84/28/71/529842871.db2.gz UVADYHMQFYWTCZ-UHFFFAOYSA-N -1 1 266.728 2.667 20 30 CFEDMM N#Cc1[n-]c(=N[C@H]2CCC[N@H+]3CCCC[C@H]23)sc1Cl ZINC000596296557 349855714 /nfs/dbraw/zinc/85/57/14/349855714.db2.gz LOLYJSHFMCPOKU-GXSJLCMTSA-N -1 1 296.827 2.519 20 30 CFEDMM CC[C@@H](CC#N)NC(=O)c1ccc(Br)cc1[O-] ZINC000054177875 260216833 /nfs/dbraw/zinc/21/68/33/260216833.db2.gz WNJRDLXXHJMHAL-VIFPVBQESA-N -1 1 297.152 2.577 20 30 CFEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H]2CCC[C@H]21 ZINC000584675335 348704703 /nfs/dbraw/zinc/70/47/03/348704703.db2.gz JVYYIIMXWODWOW-ZIAGYGMSSA-N -1 1 284.359 2.915 20 30 CFEDMM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C1CCCCC1 ZINC000588113322 348772030 /nfs/dbraw/zinc/77/20/30/348772030.db2.gz KYDZIVVTLSVPPB-ZDUSSCGKSA-N -1 1 296.392 2.788 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC=C(c3ccco3)C2)c1 ZINC000586866858 348759208 /nfs/dbraw/zinc/75/92/08/348759208.db2.gz MZZCLMJZAJFLIM-UHFFFAOYSA-N -1 1 294.310 2.786 20 30 CFEDMM C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000589170911 348814999 /nfs/dbraw/zinc/81/49/99/348814999.db2.gz OPABYYKBGLXRGD-LLVKDONJSA-N -1 1 298.317 2.936 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCC2CCCC2)c1 ZINC000589168312 348815016 /nfs/dbraw/zinc/81/50/16/348815016.db2.gz GEXDAWOEKISQPA-UHFFFAOYSA-N -1 1 258.321 2.574 20 30 CFEDMM C[C@H]1CCC[C@@H](N(C)C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589168690 348815254 /nfs/dbraw/zinc/81/52/54/348815254.db2.gz DNPBUIQMYSGRSG-SMDDNHRTSA-N -1 1 272.348 2.915 20 30 CFEDMM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H](C)C1 ZINC000589180610 348816341 /nfs/dbraw/zinc/81/63/41/348816341.db2.gz BTIXTMMCMJUDAT-UEKVPHQBSA-N -1 1 272.348 2.818 20 30 CFEDMM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H](C)C1 ZINC000589180609 348816442 /nfs/dbraw/zinc/81/64/42/348816442.db2.gz BTIXTMMCMJUDAT-JRPNMDOOSA-N -1 1 272.348 2.818 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000589182963 348816798 /nfs/dbraw/zinc/81/67/98/348816798.db2.gz BFPWBQZOBRAPLS-INIZCTEOSA-N -1 1 296.301 2.820 20 30 CFEDMM Cc1ccc2c(c1)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)CC2 ZINC000589182869 348816915 /nfs/dbraw/zinc/81/69/15/348816915.db2.gz AJBHKSOIWWRXBB-QGZVFWFLSA-N -1 1 292.338 2.990 20 30 CFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCCCC1 ZINC000589183823 348817084 /nfs/dbraw/zinc/81/70/84/348817084.db2.gz KLGNDPXHXCQCET-NSHDSACASA-N -1 1 272.348 2.962 20 30 CFEDMM C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H](C)C1 ZINC000589195990 348817626 /nfs/dbraw/zinc/81/76/26/348817626.db2.gz WAUHWUASMGSMGZ-NWDGAFQWSA-N -1 1 272.348 2.772 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3ccc(F)cc3C2)c1 ZINC000589191159 348817637 /nfs/dbraw/zinc/81/76/37/348817637.db2.gz QRNISNCKASMUNK-UHFFFAOYSA-N -1 1 296.301 2.601 20 30 CFEDMM Cc1cnc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000589188014 348818164 /nfs/dbraw/zinc/81/81/64/348818164.db2.gz FWOBVQZUBPUYAJ-SECBINFHSA-N -1 1 287.344 2.520 20 30 CFEDMM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589189099 348818249 /nfs/dbraw/zinc/81/82/49/348818249.db2.gz ZUFVXEGVGRZBTB-GXFFZTMASA-N -1 1 258.321 2.524 20 30 CFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H]2CCCC[C@@H]21 ZINC000589199899 348819115 /nfs/dbraw/zinc/81/91/15/348819115.db2.gz SLTATUKIQBWWSL-HFBAOOFYSA-N -1 1 284.359 2.915 20 30 CFEDMM CC(C)(C)[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589201837 348819972 /nfs/dbraw/zinc/81/99/72/348819972.db2.gz FMTMWLQAPLWNKS-CYBMUJFWSA-N -1 1 272.348 2.772 20 30 CFEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1O ZINC000589215431 348820363 /nfs/dbraw/zinc/82/03/63/348820363.db2.gz ZCMNURLKJJPKQA-UHFFFAOYSA-N -1 1 268.272 2.530 20 30 CFEDMM CC1(C2CC2)CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589653455 348850232 /nfs/dbraw/zinc/85/02/32/348850232.db2.gz BTOSDEGJERGHCP-UHFFFAOYSA-N -1 1 284.359 2.916 20 30 CFEDMM CC[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000590885104 348961660 /nfs/dbraw/zinc/96/16/60/348961660.db2.gz AVDPOFAGQUWOTH-NWDGAFQWSA-N -1 1 272.348 2.915 20 30 CFEDMM C[C@]12CN(C(=O)c3cc([O-])cc(C#N)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000590888279 348962266 /nfs/dbraw/zinc/96/22/66/348962266.db2.gz QKDGKWVDDXDBHX-BSXOQXRQSA-N -1 1 296.370 2.772 20 30 CFEDMM N#Cc1cnccc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000592350028 349106840 /nfs/dbraw/zinc/10/68/40/349106840.db2.gz PXMZBEMDFBTZFU-UHFFFAOYSA-N -1 1 284.344 2.619 20 30 CFEDMM CS[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000593784427 349326549 /nfs/dbraw/zinc/32/65/49/349326549.db2.gz RUUREUQWDQVBDC-ZIAGYGMSSA-N -1 1 290.388 2.668 20 30 CFEDMM C[C@@H]1CCC(C)(C)N1C(=O)c1cc([O-])cc(C#N)c1 ZINC000597754126 350132282 /nfs/dbraw/zinc/13/22/82/350132282.db2.gz YUCXRBAZQKNNIC-SNVBAGLBSA-N -1 1 258.321 2.667 20 30 CFEDMM N#CC1(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)CCCC1 ZINC000597776615 350134218 /nfs/dbraw/zinc/13/42/18/350134218.db2.gz AOJZNZQOIXXJNV-UHFFFAOYSA-N -1 1 286.360 2.583 20 30 CFEDMM CSCC1(CCNC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000597988253 350174190 /nfs/dbraw/zinc/17/41/90/350174190.db2.gz KBMSNERAOZHWLS-UHFFFAOYSA-N -1 1 290.388 2.527 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](C3CCC3)C2)cc1[O-] ZINC000598400371 350257206 /nfs/dbraw/zinc/25/72/06/350257206.db2.gz NBWKSJHSORRCGM-OAHLLOKOSA-N -1 1 284.359 2.916 20 30 CFEDMM C[C@@H]1CC(F)(F)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000600445860 350556153 /nfs/dbraw/zinc/55/61/53/350556153.db2.gz CGTKCCKEVWOIRZ-SECBINFHSA-N -1 1 280.274 2.524 20 30 CFEDMM N#Cc1ccc(CSCC(=O)Nc2ccncc2[O-])cc1 ZINC000109890800 186278048 /nfs/dbraw/zinc/27/80/48/186278048.db2.gz YUCYDCIKUGRTIU-UHFFFAOYSA-N -1 1 299.355 2.531 20 30 CFEDMM C[C@@H](C#N)CN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000601368083 350727015 /nfs/dbraw/zinc/72/70/15/350727015.db2.gz JWBKYXXJAIMTCE-JTQLQIEISA-N -1 1 292.766 2.739 20 30 CFEDMM CC(C)c1c(Cc2ccccc2)[n-]n(C[C@@H](C)C#N)c1=O ZINC000601932802 350805821 /nfs/dbraw/zinc/80/58/21/350805821.db2.gz NQCJTWHUBNOAMD-XJKSGUPXSA-N -1 1 283.375 2.859 20 30 CFEDMM C[C@]1(C#N)CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000612371273 351810359 /nfs/dbraw/zinc/81/03/59/351810359.db2.gz ZPRGGENJGPCSBO-CQSZACIVSA-N -1 1 278.739 2.811 20 30 CFEDMM C[C@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614294891 352076451 /nfs/dbraw/zinc/07/64/51/352076451.db2.gz ABERYPAGGHGKOP-GWCFXTLKSA-N -1 1 258.321 2.572 20 30 CFEDMM N#CCc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614293967 352076494 /nfs/dbraw/zinc/07/64/94/352076494.db2.gz GNPDHYZWAFLIPI-UHFFFAOYSA-N -1 1 277.283 2.582 20 30 CFEDMM Cc1ccc(O)c(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614297064 352077025 /nfs/dbraw/zinc/07/70/25/352077025.db2.gz NGMBMSGLMFOXFY-UHFFFAOYSA-N -1 1 268.272 2.530 20 30 CFEDMM CS[C@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614299379 352077093 /nfs/dbraw/zinc/07/70/93/352077093.db2.gz LIBKWZHAMREFJZ-JSGCOSHPSA-N -1 1 290.388 2.668 20 30 CFEDMM CCc1nc(NC(=O)c2cc([O-])cc(C#N)c2)sc1C ZINC000614296493 352077130 /nfs/dbraw/zinc/07/71/30/352077130.db2.gz BWDWKHHAOKZSRR-UHFFFAOYSA-N -1 1 287.344 2.844 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cc3ccccc3o2)c1 ZINC000614363985 352085489 /nfs/dbraw/zinc/08/54/89/352085489.db2.gz VRPZAKCIXFQJHY-UHFFFAOYSA-N -1 1 292.294 2.940 20 30 CFEDMM COc1ccc(F)c(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614375274 352086836 /nfs/dbraw/zinc/08/68/36/352086836.db2.gz VIBPEPQGRLSRPS-UHFFFAOYSA-N -1 1 286.262 2.664 20 30 CFEDMM N#Cc1ccc(C(=O)N2C3CCCC2CCC3)cc1[O-] ZINC000615429032 352192380 /nfs/dbraw/zinc/19/23/80/352192380.db2.gz JLXHWFDQLNQIKC-UHFFFAOYSA-N -1 1 270.332 2.811 20 30 CFEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000617042997 352477760 /nfs/dbraw/zinc/47/77/60/352477760.db2.gz XYLWCLQTSLITCC-DOMZBBRYSA-N -1 1 287.359 2.826 20 30 CFEDMM N#Cc1ccc(C(=O)N(CC2CC2)CC2CCC2)cc1[O-] ZINC000619458713 353026404 /nfs/dbraw/zinc/02/64/04/353026404.db2.gz RJGXAKLXXIANSV-UHFFFAOYSA-N -1 1 284.359 2.916 20 30 CFEDMM N#CC1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCC1 ZINC000619877379 353069768 /nfs/dbraw/zinc/06/97/68/353069768.db2.gz PRHLYJOEYUVGGF-UHFFFAOYSA-N -1 1 284.237 2.587 20 30 CFEDMM C=CCN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000154186524 188128667 /nfs/dbraw/zinc/12/86/67/188128667.db2.gz LHWBIPLGNZDEQV-UHFFFAOYSA-N -1 1 259.227 2.669 20 30 CFEDMM C=C(C)CS(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000621322825 353323038 /nfs/dbraw/zinc/32/30/38/353323038.db2.gz JRHNXYWEYLWRBW-LLVKDONJSA-N -1 1 281.368 2.696 20 30 CFEDMM CC#CCN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000294614593 199108110 /nfs/dbraw/zinc/10/81/10/199108110.db2.gz QVZHPKPGMFQVNU-UHFFFAOYSA-N -1 1 271.238 2.506 20 30 CFEDMM CC#CCN(C)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000294656550 199125847 /nfs/dbraw/zinc/12/58/47/199125847.db2.gz UNPLYLWWUAGSHM-UHFFFAOYSA-N -1 1 281.739 2.540 20 30 CFEDMM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426784903 239265521 /nfs/dbraw/zinc/26/55/21/239265521.db2.gz NXIDKGYTBOATKP-OAHLLOKOSA-N -1 1 284.290 2.613 20 30 CFEDMM COC(=O)c1ccc(-c2ccc(F)c([O-])c2)c(C#N)c1 ZINC001243050773 781955341 /nfs/dbraw/zinc/95/53/41/781955341.db2.gz XIUZCCGKYITGBN-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000033617513 372498241 /nfs/dbraw/zinc/49/82/41/372498241.db2.gz QXNLCTSKLBWIIO-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc(C#N)cc2)n1 ZINC000041520118 372845178 /nfs/dbraw/zinc/84/51/78/372845178.db2.gz XIGXAUSQDBMGEF-GFCCVEGCSA-N -1 1 267.313 2.813 20 30 CFEDMM C[C@H](C#N)CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000042460108 372926575 /nfs/dbraw/zinc/92/65/75/372926575.db2.gz AUFUGPICRDHWDX-LLVKDONJSA-N -1 1 268.316 2.777 20 30 CFEDMM O=C(Cc1ccc(F)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000048607432 373208887 /nfs/dbraw/zinc/20/88/87/373208887.db2.gz IVPUWXMDCHEHRS-UHFFFAOYSA-N -1 1 288.204 2.793 20 30 CFEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@@H]1c1ccco1 ZINC000049398945 373292711 /nfs/dbraw/zinc/29/27/11/373292711.db2.gz IPKXDDJCIUELRU-NTSWFWBYSA-N -1 1 286.213 2.808 20 30 CFEDMM COc1ccc(C(=O)Nc2cc(C#N)ccc2C)c([O-])c1 ZINC000050212893 373363596 /nfs/dbraw/zinc/36/35/96/373363596.db2.gz TWCHVGLNLOMPKB-UHFFFAOYSA-N -1 1 282.299 2.833 20 30 CFEDMM Cc1ccc([O-])c(C(=O)N(C)c2cccc(C#N)c2)c1 ZINC000059095675 373678403 /nfs/dbraw/zinc/67/84/03/373678403.db2.gz PPJFAZZDGUWWDI-UHFFFAOYSA-N -1 1 266.300 2.849 20 30 CFEDMM C=CCCO[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129615545 377452001 /nfs/dbraw/zinc/45/20/01/377452001.db2.gz WIFUDPUORNZHAC-SECBINFHSA-N -1 1 269.728 2.965 20 30 CFEDMM Cn1cccc(N=C([O-])c2coc(C3CCCC3)n2)c1=O ZINC000328785004 378424416 /nfs/dbraw/zinc/42/44/16/378424416.db2.gz INACNDFOOHXJNK-UHFFFAOYSA-N -1 1 287.319 2.667 20 30 CFEDMM Cc1noc(C)c1C(C)(C)NC(=O)c1ncc(C)cc1[O-] ZINC000330666859 378596002 /nfs/dbraw/zinc/59/60/02/378596002.db2.gz ILBMRWYDNQYVDA-UHFFFAOYSA-N -1 1 289.335 2.940 20 30 CFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1(C)CCCC1 ZINC000336540844 380437493 /nfs/dbraw/zinc/43/74/93/380437493.db2.gz IRIORULRSISSIK-UHFFFAOYSA-N -1 1 258.321 2.669 20 30 CFEDMM C=C(Cl)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289592697 381059900 /nfs/dbraw/zinc/05/99/00/381059900.db2.gz SGZKZYFWEHMMPO-UHFFFAOYSA-N -1 1 252.673 2.964 20 30 CFEDMM N#CCCN(Cc1cc(=O)oc2cc([O-])ccc12)CC1CC1 ZINC000182391232 381080371 /nfs/dbraw/zinc/08/03/71/381080371.db2.gz KLJSYQFVYLNFRX-UHFFFAOYSA-N -1 1 298.342 2.624 20 30 CFEDMM C=C(CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000360208125 381770280 /nfs/dbraw/zinc/77/02/80/381770280.db2.gz KLKMCAVNRHXEJS-UHFFFAOYSA-N -1 1 278.311 2.707 20 30 CFEDMM Cc1c[nH]cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000361540331 381840126 /nfs/dbraw/zinc/84/01/26/381840126.db2.gz IYJTXNIJGHYTLM-LLVKDONJSA-N -1 1 276.299 2.756 20 30 CFEDMM Cc1c[nH]cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000361540333 381842278 /nfs/dbraw/zinc/84/22/78/381842278.db2.gz IYJTXNIJGHYTLM-NSHDSACASA-N -1 1 276.299 2.756 20 30 CFEDMM C=CCCCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000351578917 382046027 /nfs/dbraw/zinc/04/60/27/382046027.db2.gz ZUSRWGJILXUVIX-UHFFFAOYSA-N -1 1 275.320 2.599 20 30 CFEDMM CC(C)CN(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000188266657 382379239 /nfs/dbraw/zinc/37/92/39/382379239.db2.gz FIGTXEZTKJZCHZ-UHFFFAOYSA-N -1 1 258.321 2.524 20 30 CFEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)c1cccnc1 ZINC000188509601 382427100 /nfs/dbraw/zinc/42/71/00/382427100.db2.gz RQKZXNJNUGMNQQ-LBPRGKRZSA-N -1 1 295.342 2.882 20 30 CFEDMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H](C)C1 ZINC000188399983 382406668 /nfs/dbraw/zinc/40/66/68/382406668.db2.gz FKLGMKRYFKKFQE-JTNHKYCSSA-N -1 1 272.348 2.818 20 30 CFEDMM COc1cc(C)ccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188650182 382450504 /nfs/dbraw/zinc/45/05/04/382450504.db2.gz LSGVYSONCHDYJQ-UHFFFAOYSA-N -1 1 296.326 2.511 20 30 CFEDMM C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@H](C)C1 ZINC000189006827 382523070 /nfs/dbraw/zinc/52/30/70/382523070.db2.gz YBHJVOSJKOSOHG-RYUDHWBXSA-N -1 1 272.348 2.772 20 30 CFEDMM C=CCCC[C@H](C)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000337878619 382872698 /nfs/dbraw/zinc/87/26/98/382872698.db2.gz SJWZSVTWUJXVHC-VHSXEESVSA-N -1 1 255.387 2.824 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)cc1[O-] ZINC000442619078 382939056 /nfs/dbraw/zinc/93/90/56/382939056.db2.gz KAOSYISLEGLFEQ-HNNXBMFYSA-N -1 1 293.326 2.636 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)cc1[O-] ZINC000442678546 382944614 /nfs/dbraw/zinc/94/46/14/382944614.db2.gz LSDZEMPHQMCOTJ-MRXNPFEDSA-N -1 1 293.326 2.540 20 30 CFEDMM N#CC(=C([O-])c1ccccc1OCC1CC1)c1ccncn1 ZINC000545447351 382977892 /nfs/dbraw/zinc/97/78/92/382977892.db2.gz WXIIQSXQOVXXPL-CQSZACIVSA-N -1 1 293.326 2.755 20 30 CFEDMM Cc1nc(C)c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000543573702 382971101 /nfs/dbraw/zinc/97/11/01/382971101.db2.gz FRNLURSRIMDOAB-NSHDSACASA-N -1 1 294.314 2.966 20 30 CFEDMM C=CCC1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCC1 ZINC000449263067 383189063 /nfs/dbraw/zinc/18/90/63/383189063.db2.gz JRCSGGORFNHNGB-UHFFFAOYSA-N -1 1 288.273 2.899 20 30 CFEDMM N#CC(=C([O-])c1cnc2c(F)cccc2c1)c1ccncn1 ZINC000429510361 383537618 /nfs/dbraw/zinc/53/76/18/383537618.db2.gz SGXZFCBMDTUSSN-GFCCVEGCSA-N -1 1 292.273 2.654 20 30 CFEDMM C=C(CC)CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530167863 383767701 /nfs/dbraw/zinc/76/77/01/383767701.db2.gz GRCLTBRBYFBGBW-UHFFFAOYSA-N -1 1 263.312 2.848 20 30 CFEDMM CC(=O)c1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1[O-] ZINC000436632617 383860515 /nfs/dbraw/zinc/86/05/15/383860515.db2.gz XFMBBOXMTVFYGC-UHFFFAOYSA-N -1 1 298.273 2.858 20 30 CFEDMM CC(C)(C#N)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436725903 383882427 /nfs/dbraw/zinc/88/24/27/383882427.db2.gz VYWTUDLFEKRIKC-UHFFFAOYSA-N -1 1 268.316 2.825 20 30 CFEDMM CC(C)(CCC#N)CNC(=O)c1c([O-])cccc1F ZINC000436725108 383882678 /nfs/dbraw/zinc/88/26/78/383882678.db2.gz QCWZBHJUPBUIJU-UHFFFAOYSA-N -1 1 264.300 2.591 20 30 CFEDMM C#CCCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000278312382 384524575 /nfs/dbraw/zinc/52/45/75/384524575.db2.gz YGQCJDQSXRWEGQ-UHFFFAOYSA-N -1 1 260.268 2.927 20 30 CFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2CCCCCCC2)o1 ZINC000286574711 385653865 /nfs/dbraw/zinc/65/38/65/385653865.db2.gz QVJBHPQTLXJBQW-UHFFFAOYSA-N -1 1 282.365 2.542 20 30 CFEDMM C=CCN(CC(F)(F)F)C(=O)c1ccc([O-])c(F)c1 ZINC000681036576 542402474 /nfs/dbraw/zinc/40/24/74/542402474.db2.gz LSKQPGCTYMGPJK-UHFFFAOYSA-N -1 1 277.217 2.722 20 30 CFEDMM CC[C@H](CC#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000183789136 393522273 /nfs/dbraw/zinc/52/22/73/393522273.db2.gz CEHLVWAYQAIMDH-SECBINFHSA-N -1 1 286.253 2.833 20 30 CFEDMM CCCOc1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1 ZINC000416940424 393947113 /nfs/dbraw/zinc/94/71/13/393947113.db2.gz IVKVAWBSYXIEEL-ZDUSSCGKSA-N -1 1 282.365 2.519 20 30 CFEDMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc(C#N)cs2)o1 ZINC000417567140 393976722 /nfs/dbraw/zinc/97/67/22/393976722.db2.gz JAVGJORVWFGXGX-LBPRGKRZSA-N -1 1 290.344 2.827 20 30 CFEDMM Cc1nc(SCc2ccccc2C#N)[n-]c(=O)c1C ZINC000539615827 394628996 /nfs/dbraw/zinc/62/89/96/394628996.db2.gz KTAJSBZQHYGMFG-UHFFFAOYSA-N -1 1 271.345 2.963 20 30 CFEDMM [O-]/N=C/c1ccc(F)c(-c2cccc(CO)c2F)c1 ZINC001243141216 782010734 /nfs/dbraw/zinc/01/07/34/782010734.db2.gz LMKIVRQBIGWQPR-REZTVBANSA-N -1 1 263.243 2.932 20 30 CFEDMM Cc1cc(C)cc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000007056379 170265028 /nfs/dbraw/zinc/26/50/28/170265028.db2.gz BIEMJBCGCHKWKW-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM Cc1cnc(C(=O)N[C@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000330236654 228075552 /nfs/dbraw/zinc/07/55/52/228075552.db2.gz HIMADUIKBWCLLJ-NSHDSACASA-N -1 1 276.336 2.502 20 30 CFEDMM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)CCC1CC1 ZINC000272499203 263005521 /nfs/dbraw/zinc/00/55/21/263005521.db2.gz UCMMSFPVHKCYHQ-LLVKDONJSA-N -1 1 294.376 2.519 20 30 CFEDMM CC1(C)CCCN(C(=O)c2ccc([O-])cc2F)[C@H]1C#N ZINC000277608866 263042299 /nfs/dbraw/zinc/04/22/99/263042299.db2.gz UZSOXPPHKWBYHP-ZDUSSCGKSA-N -1 1 276.311 2.686 20 30 CFEDMM Cc1cnn(C)c1/C=C1\CCc2cc([O-])ccc2C1=O ZINC000285001274 263089096 /nfs/dbraw/zinc/08/90/96/263089096.db2.gz GWOGCKABLBYXCE-XYOKQWHBSA-N -1 1 268.316 2.647 20 30 CFEDMM C[C@@H](CCC#N)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000289465937 263110333 /nfs/dbraw/zinc/11/03/33/263110333.db2.gz GTMHZWCKMGEKKY-LURJTMIESA-N -1 1 259.281 2.904 20 30 CFEDMM CN(CCc1ccc(F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188361683 263774314 /nfs/dbraw/zinc/77/43/14/263774314.db2.gz VUIQULBGUWMKTA-UHFFFAOYSA-N -1 1 298.317 2.718 20 30 CFEDMM CC[C@H](NC(=O)c1c(F)ccc([O-])c1F)[C@@H]1CCCO1 ZINC000330853378 264068819 /nfs/dbraw/zinc/06/88/19/264068819.db2.gz MOQBHUWCKBCAKM-ONGXEEELSA-N -1 1 285.290 2.933 20 30 CFEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000331162443 264143432 /nfs/dbraw/zinc/14/34/32/264143432.db2.gz DAHYFCRGMLESHG-GFCCVEGCSA-N -1 1 257.293 2.507 20 30 CFEDMM Cc1nc([C@@H](C)NC(=O)c2ncc(C)cc2[O-])cs1 ZINC000331183206 264155874 /nfs/dbraw/zinc/15/58/74/264155874.db2.gz IEUFTTVMZICVBC-MRVPVSSYSA-N -1 1 277.349 2.926 20 30 CFEDMM Cc1nc([C@H](C)NC(=O)c2ncc(C)cc2[O-])cs1 ZINC000331183207 264156109 /nfs/dbraw/zinc/15/61/09/264156109.db2.gz IEUFTTVMZICVBC-QMMMGPOBSA-N -1 1 277.349 2.926 20 30 CFEDMM Cc1cnc(C(=O)NCC2(CCO)CCCCC2)c([O-])c1 ZINC000331189097 264157319 /nfs/dbraw/zinc/15/73/19/264157319.db2.gz JPSXBHFRHVVRRS-UHFFFAOYSA-N -1 1 292.379 2.733 20 30 CFEDMM Cc1nc(CNC(=O)c2ncc(C)cc2[O-])sc1C ZINC000331212697 264163277 /nfs/dbraw/zinc/16/32/77/264163277.db2.gz SLLMEUAWAFMRJJ-UHFFFAOYSA-N -1 1 277.349 2.674 20 30 CFEDMM Cc1cnc(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)c([O-])c1 ZINC000331212033 264163501 /nfs/dbraw/zinc/16/35/01/264163501.db2.gz RYGCGELEICGYON-CHWSQXEVSA-N -1 1 292.379 2.994 20 30 CFEDMM CCC[C@@H]1SCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188507786 266071900 /nfs/dbraw/zinc/07/19/00/266071900.db2.gz OTRHYBIMTCSYOB-ZDUSSCGKSA-N -1 1 276.361 2.579 20 30 CFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000076935472 280522037 /nfs/dbraw/zinc/52/20/37/280522037.db2.gz XONXVIGGEITFCD-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000076935551 280522154 /nfs/dbraw/zinc/52/21/54/280522154.db2.gz BNJQCHADQCIXBM-UHFFFAOYSA-N -1 1 297.339 2.539 20 30 CFEDMM N#Cc1ccc(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1[O-] ZINC000575842976 322731480 /nfs/dbraw/zinc/73/14/80/322731480.db2.gz GGJFENIAABTNMJ-HOCLYGCPSA-N -1 1 282.343 2.524 20 30 CFEDMM C[C@@H](N(C)C(=O)c1ccc(C#N)c([O-])c1)C1(C)CC1 ZINC000188632220 324019199 /nfs/dbraw/zinc/01/91/99/324019199.db2.gz CMULCJFCDSMOEV-SNVBAGLBSA-N -1 1 258.321 2.524 20 30 CFEDMM CC[C@@](C)(C#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000539626226 327114638 /nfs/dbraw/zinc/11/46/38/327114638.db2.gz ALXIOZYTZPGSOQ-LBPRGKRZSA-N -1 1 286.253 2.833 20 30 CFEDMM C=C(C)CN(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000226535739 329260612 /nfs/dbraw/zinc/26/06/12/329260612.db2.gz RPHZYDGDFRMQKG-UHFFFAOYSA-N -1 1 284.153 2.803 20 30 CFEDMM C=C(C)[C@@H](CC(=O)Nc1nc(Cl)ccc1[O-])OCC ZINC000279695233 330123903 /nfs/dbraw/zinc/12/39/03/330123903.db2.gz ISVUAACBIMVZHW-SNVBAGLBSA-N -1 1 284.743 2.750 20 30 CFEDMM C#C[C@@H](CCC)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000491671467 332278574 /nfs/dbraw/zinc/27/85/74/332278574.db2.gz WXTYMLNVUXNRIB-JTQLQIEISA-N -1 1 281.739 2.586 20 30 CFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000491746865 332324316 /nfs/dbraw/zinc/32/43/16/332324316.db2.gz ZBSCXLDLTZVIJR-LBPRGKRZSA-N -1 1 277.345 2.513 20 30 CFEDMM N#CCc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000516790347 333082546 /nfs/dbraw/zinc/08/25/46/333082546.db2.gz NNQJJDCGWKVXPZ-UHFFFAOYSA-N -1 1 270.263 2.850 20 30 CFEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000538284614 333582901 /nfs/dbraw/zinc/58/29/01/333582901.db2.gz ZHJHMQZQLLHMMS-JTQLQIEISA-N -1 1 289.347 2.988 20 30 CFEDMM CCC[C@@H](C#N)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000539626775 333682130 /nfs/dbraw/zinc/68/21/30/333682130.db2.gz VPICPROHAXLERT-VIFPVBQESA-N -1 1 286.253 2.833 20 30 CFEDMM N#CCC[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC000132749180 334004763 /nfs/dbraw/zinc/00/47/63/334004763.db2.gz CDYSRORUCFELQQ-CYBMUJFWSA-N -1 1 281.315 2.562 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1ccc(OC)c2cccnc12 ZINC000546022007 334013085 /nfs/dbraw/zinc/01/30/85/334013085.db2.gz YDIXUHZTLXPDHF-UHFFFAOYSA-N -1 1 292.360 2.561 20 30 CFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084938330 334279442 /nfs/dbraw/zinc/27/94/42/334279442.db2.gz IJJQVKHCCDHTIA-SNVBAGLBSA-N -1 1 265.334 2.676 20 30 CFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000566006850 334615230 /nfs/dbraw/zinc/61/52/30/334615230.db2.gz SPZKLSIOQQMWLJ-SECBINFHSA-N -1 1 282.390 2.539 20 30 CFEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000193360906 335968721 /nfs/dbraw/zinc/96/87/21/335968721.db2.gz XGWASZADDVRVLV-UHFFFAOYSA-N -1 1 290.319 2.693 20 30 CFEDMM C=CCCC(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1 ZINC000068452667 518693300 /nfs/dbraw/zinc/69/33/00/518693300.db2.gz WNPSFYAYOTTYEZ-UHFFFAOYSA-N -1 1 294.424 2.633 20 30 CFEDMM C=Cc1ccc(CCNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000360746337 519314041 /nfs/dbraw/zinc/31/40/41/519314041.db2.gz OVAUUPHSWHIWJX-UHFFFAOYSA-N -1 1 292.338 2.879 20 30 CFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1F ZINC000061119804 525286418 /nfs/dbraw/zinc/28/64/18/525286418.db2.gz IWKVSRNVMQAPRF-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM N#Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccn1 ZINC000193690146 526544639 /nfs/dbraw/zinc/54/46/39/526544639.db2.gz MCUXMVAHNWBAGP-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC=C(C(F)(F)F)CC2)cc1[O-] ZINC000336170487 526588473 /nfs/dbraw/zinc/58/84/73/526588473.db2.gz HEVCKQJLKLTCML-UHFFFAOYSA-N -1 1 296.248 2.598 20 30 CFEDMM C=CCN(CC=C)C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000193126503 527640801 /nfs/dbraw/zinc/64/08/01/527640801.db2.gz BLRYSGLIQDAKAE-UHFFFAOYSA-N -1 1 298.342 2.763 20 30 CFEDMM Cc1nc(Cl)cc(NN=Cc2ccccc2C(=O)[O-])n1 ZINC000738858474 574112216 /nfs/dbraw/zinc/11/22/16/574112216.db2.gz AAZKQBBDIVTPBQ-UHFFFAOYSA-N -1 1 290.710 2.583 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc([C@H]3C[C@H]3C)o2)n1 ZINC000732763531 574170526 /nfs/dbraw/zinc/17/05/26/574170526.db2.gz ZRKMIFNVTCMMJI-KCJUWKMLSA-N -1 1 272.308 2.653 20 30 CFEDMM N#CCOc1cccc(/C=C2\Oc3cc([O-])ccc3C2=O)c1 ZINC000730151712 574256045 /nfs/dbraw/zinc/25/60/45/574256045.db2.gz PWJXDHJJIZZYGL-SXGWCWSVSA-N -1 1 293.278 2.911 20 30 CFEDMM N#C[C@H]([N-]C(=O)C(F)(F)c1nccs1)C1CCCCC1 ZINC000756749735 574260819 /nfs/dbraw/zinc/26/08/19/574260819.db2.gz YISMXRSUVOQTAN-JTQLQIEISA-N -1 1 299.346 2.824 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cccnc1C ZINC000756899365 574271291 /nfs/dbraw/zinc/27/12/91/574271291.db2.gz YGTJNSCAQILDBV-UHFFFAOYSA-N -1 1 285.303 2.543 20 30 CFEDMM C=CCOc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000736113934 574351625 /nfs/dbraw/zinc/35/16/25/574351625.db2.gz HFYRFHPQZYXOLZ-UHFFFAOYSA-N -1 1 287.315 2.832 20 30 CFEDMM [O-]c1c(Cl)cccc1CN=Nc1nccnc1Cl ZINC000753166093 574399677 /nfs/dbraw/zinc/39/96/77/574399677.db2.gz XATVVAHSEHMMGD-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM CO[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)C1CCCC1 ZINC000900094017 620637039 /nfs/dbraw/zinc/63/70/39/620637039.db2.gz GAGDPZOADOXRRM-CQSZACIVSA-N -1 1 281.327 2.749 20 30 CFEDMM O=C(C(F)F)N([O-])Cc1cccc2ccccc21 ZINC000900091971 620637319 /nfs/dbraw/zinc/63/73/19/620637319.db2.gz VEQZYJUUTFQEGU-UHFFFAOYSA-N -1 1 251.232 2.823 20 30 CFEDMM Cc1csc(C(C#N)C(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000821147037 598148488 /nfs/dbraw/zinc/14/84/88/598148488.db2.gz SSHKNVMCNMUJGS-NSHDSACASA-N -1 1 286.312 2.640 20 30 CFEDMM N#Cc1ccc(CNCc2cccc(C(=O)[O-])c2)c(F)c1 ZINC000821336108 598194165 /nfs/dbraw/zinc/19/41/65/598194165.db2.gz KOTMMFPVXMYMHT-UHFFFAOYSA-N -1 1 284.290 2.685 20 30 CFEDMM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1F ZINC000222390307 598200199 /nfs/dbraw/zinc/20/01/99/598200199.db2.gz ZVFUURUPSUBTBJ-HNNXBMFYSA-N -1 1 284.290 2.613 20 30 CFEDMM O=C([O-])c1ccc(/C=C/C(=O)c2ccccc2O)o1 ZINC000833311783 601825900 /nfs/dbraw/zinc/82/59/00/601825900.db2.gz DBSFYEYJXIVUPA-FNORWQNLSA-N -1 1 258.229 2.580 20 30 CFEDMM Cc1ccnc(NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794918685 602076287 /nfs/dbraw/zinc/07/62/87/602076287.db2.gz JJEBOUBQWGPWSF-LBPRGKRZSA-N -1 1 299.330 2.688 20 30 CFEDMM CC(=NNc1ccccn1)c1ccc(C(=O)[O-])cc1 ZINC000825809558 604635659 /nfs/dbraw/zinc/63/56/59/604635659.db2.gz ZIFPGANOHGGALL-UHFFFAOYSA-N -1 1 255.277 2.616 20 30 CFEDMM C=C(CC)CSc1nc([O-])cc(=O)n1CCCC ZINC000901748189 620908103 /nfs/dbraw/zinc/90/81/03/620908103.db2.gz GBKYYKLPPBKNPZ-UHFFFAOYSA-N -1 1 268.382 2.601 20 30 CFEDMM C=CC[C@H](NCc1ccoc1C(=O)[O-])c1ccncc1 ZINC000833369919 605096202 /nfs/dbraw/zinc/09/62/02/605096202.db2.gz HFDHMQAJGCVBGJ-ZDUSSCGKSA-N -1 1 272.304 2.780 20 30 CFEDMM C#CCOc1ccccc1CN=Nc1ccccc1C(=O)[O-] ZINC000812445432 605098832 /nfs/dbraw/zinc/09/88/32/605098832.db2.gz QVMGUHKLIYAOHU-UHFFFAOYSA-N -1 1 294.310 2.843 20 30 CFEDMM CC(C)C[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000900510114 620684292 /nfs/dbraw/zinc/68/42/92/620684292.db2.gz VYNFATSPVQDUAX-LBPRGKRZSA-N -1 1 291.301 2.705 20 30 CFEDMM CC1(C#N)CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000820206387 605679306 /nfs/dbraw/zinc/67/93/06/605679306.db2.gz ZONFXMLFPUXHGR-UHFFFAOYSA-N -1 1 258.321 2.510 20 30 CFEDMM C=C[C@](C)(CC)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891618254 617687178 /nfs/dbraw/zinc/68/71/78/617687178.db2.gz NXTFUCMGCYDMAU-OAHLLOKOSA-N -1 1 275.352 2.602 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc3ccccc3o2)c(=O)o1 ZINC000255291353 618164946 /nfs/dbraw/zinc/16/49/46/618164946.db2.gz VTQVIEZHDGWZBZ-WLMCBFPDSA-N -1 1 296.278 2.661 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C)c2C)c(=O)o1 ZINC000255294008 618165568 /nfs/dbraw/zinc/16/55/68/618165568.db2.gz ROXFMSZTEUDTEV-PTZVLDCSSA-N -1 1 284.311 2.532 20 30 CFEDMM O=C([O-])c1cc(/C=C/C(=O)c2ccccc2O)ccc1O ZINC000095842918 618221208 /nfs/dbraw/zinc/22/12/08/618221208.db2.gz XITJTFZQALDITA-FNORWQNLSA-N -1 1 284.267 2.692 20 30 CFEDMM O=C(/C=C/c1cnn2ccccc12)c1cc(O)ccc1[O-] ZINC000176955387 618247021 /nfs/dbraw/zinc/24/70/21/618247021.db2.gz GYBBQPLVCFBANU-GQCTYLIASA-N -1 1 280.283 2.642 20 30 CFEDMM C=CCN(CC(=O)[O-])Cc1cc(Cl)ccc1F ZINC000165692258 618262923 /nfs/dbraw/zinc/26/29/23/618262923.db2.gz VCSLGKIHHIYPIO-UHFFFAOYSA-N -1 1 257.692 2.552 20 30 CFEDMM C[C@H]1CO[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000901372486 620792952 /nfs/dbraw/zinc/79/29/52/620792952.db2.gz FAZAQJWPFLWXRX-MLGOLLRUSA-N -1 1 285.343 2.983 20 30 CFEDMM CCO[C@@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369864 620796829 /nfs/dbraw/zinc/79/68/29/620796829.db2.gz IPPYDVALQFOQLH-LBPRGKRZSA-N -1 1 273.332 2.983 20 30 CFEDMM O=C(c1ocnc1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000901373067 620798020 /nfs/dbraw/zinc/79/80/20/620798020.db2.gz RZJNJLGBQCOLRW-UHFFFAOYSA-N -1 1 276.267 2.723 20 30 CFEDMM C#CCO[N-]C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000311787367 618723022 /nfs/dbraw/zinc/72/30/22/618723022.db2.gz ISKJNEOZHDDWBP-PYCGDYPRSA-N -1 1 261.365 2.664 20 30 CFEDMM C#CCCCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000163041030 619120157 /nfs/dbraw/zinc/12/01/57/619120157.db2.gz SSWIGZQSYCRNSJ-UHFFFAOYSA-N -1 1 251.713 2.579 20 30 CFEDMM N#CCC1(CNC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000894563858 619418555 /nfs/dbraw/zinc/41/85/55/619418555.db2.gz NCKCFIBQLDZIRZ-UHFFFAOYSA-N -1 1 293.754 2.539 20 30 CFEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895857689 619624154 /nfs/dbraw/zinc/62/41/54/619624154.db2.gz DTOFMEGEDKULDQ-NSHDSACASA-N -1 1 298.342 2.873 20 30 CFEDMM C#CCN(C(=O)c1c([O-])cnc2c(F)cccc21)C(C)C ZINC000928623997 619788406 /nfs/dbraw/zinc/78/84/06/619788406.db2.gz UPEOBVXKZXIUGX-UHFFFAOYSA-N -1 1 286.306 2.563 20 30 CFEDMM C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)C(C)(C)C ZINC000785589734 620224307 /nfs/dbraw/zinc/22/43/07/620224307.db2.gz ACSIMLQHZNQVDN-SNVBAGLBSA-N -1 1 260.337 2.676 20 30 CFEDMM N#C[C@H]1CC[C@@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000898009569 620316582 /nfs/dbraw/zinc/31/65/82/620316582.db2.gz UBORCLCSJYCVSV-CMPLNLGQSA-N -1 1 296.326 2.673 20 30 CFEDMM C=CCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898096153 620337590 /nfs/dbraw/zinc/33/75/90/620337590.db2.gz PVFVJESLLCKQSA-UHFFFAOYSA-N -1 1 279.340 2.660 20 30 CFEDMM C[C@H](C#N)N(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC000898678847 620488063 /nfs/dbraw/zinc/48/80/63/620488063.db2.gz WKWJACSOGMRLEG-SNVBAGLBSA-N -1 1 296.326 2.768 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccnn1C1CCC1 ZINC000899345572 620547143 /nfs/dbraw/zinc/54/71/43/620547143.db2.gz PBOWXESFKYLOGD-NVNXTCNLSA-N -1 1 282.299 2.930 20 30 CFEDMM C=CCC[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000901689703 620894975 /nfs/dbraw/zinc/89/49/75/620894975.db2.gz DXRUYLQZKPAODQ-RTXFEEFZSA-N -1 1 263.337 2.912 20 30 CFEDMM C=CCC[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000901689705 620895222 /nfs/dbraw/zinc/89/52/22/620895222.db2.gz DXRUYLQZKPAODQ-WXHSDQCUSA-N -1 1 263.337 2.912 20 30 CFEDMM Cc1cc(C#N)cc(C)c1CNCc1cc(C(=O)[O-])co1 ZINC000903991219 621500842 /nfs/dbraw/zinc/50/08/42/621500842.db2.gz KXLJIMPKDACJRP-UHFFFAOYSA-N -1 1 284.315 2.756 20 30 CFEDMM CO[C@H](C(=O)N([O-])Cc1ccccc1Cl)C1CCC1 ZINC000904192276 621546377 /nfs/dbraw/zinc/54/63/77/621546377.db2.gz GSMHTEAWRRTKNF-ZDUSSCGKSA-N -1 1 283.755 2.873 20 30 CFEDMM CCO[C@@H](CC)C(=O)N([O-])Cc1ccccc1Cl ZINC000904193668 621547293 /nfs/dbraw/zinc/54/72/93/621547293.db2.gz STJKCZGQPLTWQN-LBPRGKRZSA-N -1 1 271.744 2.873 20 30 CFEDMM CCCCN([O-])C(=O)C(=O)c1ccc(Cl)s1 ZINC000904213479 621554382 /nfs/dbraw/zinc/55/43/82/621554382.db2.gz QRCIEZFZRGUXSU-UHFFFAOYSA-N -1 1 261.730 2.602 20 30 CFEDMM N#Cc1cc(-c2ccc(=O)n(CC3CC3)c2)ccc1[O-] ZINC000904794756 621649063 /nfs/dbraw/zinc/64/90/63/621649063.db2.gz DJVYTHLUBFUWBN-UHFFFAOYSA-N -1 1 266.300 2.503 20 30 CFEDMM CC(C)(C)C#CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909988076 622382401 /nfs/dbraw/zinc/38/24/01/622382401.db2.gz UGFXVUBHJYAEMX-UHFFFAOYSA-N -1 1 253.248 2.658 20 30 CFEDMM CC1(C#N)CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000833552102 625569590 /nfs/dbraw/zinc/56/95/90/625569590.db2.gz ZOLTYZDGOVORLZ-UHFFFAOYSA-N -1 1 264.350 2.572 20 30 CFEDMM CC1(C#N)CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000833551467 625569641 /nfs/dbraw/zinc/56/96/41/625569641.db2.gz LJQKPDIQWSQHSU-UHFFFAOYSA-N -1 1 276.311 2.650 20 30 CFEDMM C#C[C@H]1CCCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000912049334 622619125 /nfs/dbraw/zinc/61/91/25/622619125.db2.gz UZYBTUBEDAWALP-NSHDSACASA-N -1 1 298.317 2.565 20 30 CFEDMM CNC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1 ZINC000912773502 622774986 /nfs/dbraw/zinc/77/49/86/622774986.db2.gz VZJZFNXEJVVLKP-WCIBSUBMSA-N -1 1 281.311 2.648 20 30 CFEDMM CCC(F)(F)C[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000913016299 622824586 /nfs/dbraw/zinc/82/45/86/622824586.db2.gz KIRKDJISDVZRCJ-UHFFFAOYSA-N -1 1 288.244 2.812 20 30 CFEDMM Nc1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cn1 ZINC000821037404 622827607 /nfs/dbraw/zinc/82/76/07/622827607.db2.gz BRMBAWDEPOSTMT-KPKJPENVSA-N -1 1 266.300 2.582 20 30 CFEDMM Cc1cccn2c(/C=C3/Oc4cc([O-])ccc4C3=O)cnc12 ZINC000172691626 623299225 /nfs/dbraw/zinc/29/92/25/623299225.db2.gz PPMXWGGJVVJTEF-VIZOYTHASA-N -1 1 292.294 2.965 20 30 CFEDMM CCN(CCO)N=C(C)c1cc(Cl)c(Cl)cc1[O-] ZINC000842536927 623479792 /nfs/dbraw/zinc/47/97/92/623479792.db2.gz GIOUEAYHIYILKI-UHFFFAOYSA-N -1 1 291.178 2.737 20 30 CFEDMM Cc1cc(C=NNc2nc(C)cc(=O)[n-]2)c(C)n1C1CC1 ZINC000916241750 624230809 /nfs/dbraw/zinc/23/08/09/624230809.db2.gz QTFPUIJCUBRRIF-UHFFFAOYSA-N -1 1 285.351 2.690 20 30 CFEDMM COc1cc(C#N)ccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000829915598 624581336 /nfs/dbraw/zinc/58/13/36/624581336.db2.gz KPBCBVFIMIXAEY-UHFFFAOYSA-N -1 1 292.360 2.766 20 30 CFEDMM C#CCN(C(=O)c1ncc2ccccc2c1[O-])C1CCCC1 ZINC000829991745 624595951 /nfs/dbraw/zinc/59/59/51/624595951.db2.gz CTFRNNQORPREHM-UHFFFAOYSA-N -1 1 294.354 2.958 20 30 CFEDMM CC(C)(C)NC(=S)NN=Cc1ccc([O-])c(Cl)c1 ZINC000921257322 624829776 /nfs/dbraw/zinc/82/97/76/624829776.db2.gz WISHNQFSQXYDQI-UHFFFAOYSA-N -1 1 285.800 2.642 20 30 CFEDMM C#C[C@@H](CCC)NC(=O)c1cc(Br)ccc1[O-] ZINC000233294353 624931884 /nfs/dbraw/zinc/93/18/84/624931884.db2.gz WXSRYKOIMFYADX-JTQLQIEISA-N -1 1 296.164 2.686 20 30 CFEDMM CC[C@](C)(C#N)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834824869 625882422 /nfs/dbraw/zinc/88/24/22/625882422.db2.gz AFCDRNSFVSVNNC-CYBMUJFWSA-N -1 1 266.728 2.602 20 30 CFEDMM C=CCC1(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CCCCC1 ZINC000839346360 626534326 /nfs/dbraw/zinc/53/43/26/626534326.db2.gz NQRUNJHBHXGFCF-UHFFFAOYSA-N -1 1 298.390 2.807 20 30 CFEDMM CC(N=Nc1ccc(Cl)nn1)c1cc(F)cc(F)c1[O-] ZINC000757451409 626552382 /nfs/dbraw/zinc/55/23/82/626552382.db2.gz PWYWKRVNZIUBBT-UHFFFAOYSA-N -1 1 298.680 2.950 20 30 CFEDMM CC(N=Nc1cncc(Cl)n1)c1cc(F)cc(F)c1[O-] ZINC000757460460 626552563 /nfs/dbraw/zinc/55/25/63/626552563.db2.gz WCGISNAVQDICMA-UHFFFAOYSA-N -1 1 298.680 2.950 20 30 CFEDMM [O-]c1ccc(C=NNCCOCC(F)(F)F)cc1Cl ZINC000765601652 627149793 /nfs/dbraw/zinc/14/97/93/627149793.db2.gz YIHWNTFKWVCZPM-UHFFFAOYSA-N -1 1 296.676 2.548 20 30 CFEDMM CC(C)CN(CCC#N)C(=O)c1ccc([O-])c(F)c1 ZINC000767875771 627291068 /nfs/dbraw/zinc/29/10/68/627291068.db2.gz MRBIQUGKFXFLQT-UHFFFAOYSA-N -1 1 264.300 2.543 20 30 CFEDMM C#CCOc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000768256888 627328638 /nfs/dbraw/zinc/32/86/38/627328638.db2.gz BHXYDXYIAGLYCI-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM C#CCCN(CC(F)(F)F)C(=O)c1ccc([O-])c(F)c1 ZINC000768616195 627358356 /nfs/dbraw/zinc/35/83/56/627358356.db2.gz DTWONYCNODCPOS-UHFFFAOYSA-N -1 1 289.228 2.559 20 30 CFEDMM CCOCCON=C(C)c1ccc([O-])c(Cl)c1 ZINC000774430213 627924501 /nfs/dbraw/zinc/92/45/01/627924501.db2.gz AVUJSVOHMJDFAB-UHFFFAOYSA-N -1 1 257.717 2.823 20 30 CFEDMM O=C([O-])c1ccc(C=NNc2cc(Cl)ccn2)cc1 ZINC000777907584 628264533 /nfs/dbraw/zinc/26/45/33/628264533.db2.gz WSQZHUCAXATAQO-UHFFFAOYSA-N -1 1 275.695 2.879 20 30 CFEDMM COc1cccc(NN=C(C)c2cc(F)cc(F)c2[O-])n1 ZINC000779819594 628411243 /nfs/dbraw/zinc/41/12/43/628411243.db2.gz TVKOCEUCHCDNCS-UHFFFAOYSA-N -1 1 293.273 2.910 20 30 CFEDMM CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000780241565 628443115 /nfs/dbraw/zinc/44/31/15/628443115.db2.gz QWEJYQOZXHGIDV-GFCCVEGCSA-N -1 1 280.343 2.803 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(C)c3ncccc3c2)n1 ZINC000783773478 628744273 /nfs/dbraw/zinc/74/42/73/628744273.db2.gz YOYFKCAFHLBFBQ-UHFFFAOYSA-N -1 1 293.330 2.793 20 30 CFEDMM C=CCC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCC1 ZINC000784927796 628852693 /nfs/dbraw/zinc/85/26/93/628852693.db2.gz XOGJTBKIQKOJFL-UHFFFAOYSA-N -1 1 290.315 2.570 20 30 CFEDMM CC(=NN[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000788439561 629067135 /nfs/dbraw/zinc/06/71/35/629067135.db2.gz BGTZBHYYORWUFZ-MRVPVSSYSA-N -1 1 289.162 2.802 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC2CCC[C@H]2c2ccccn2)n1 ZINC000794856341 629696254 /nfs/dbraw/zinc/69/62/54/629696254.db2.gz IEWNPGUBBNLOEQ-NSHDSACASA-N -1 1 283.335 2.621 20 30 CFEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000798038258 630143472 /nfs/dbraw/zinc/14/34/72/630143472.db2.gz DIGFSNOVEQKQPT-QMTHXVAHSA-N -1 1 295.766 2.757 20 30 CFEDMM C=C(C)[C@@H](CC(=O)[N-]OCc1ccccc1OC)OCC ZINC000799093782 630274545 /nfs/dbraw/zinc/27/45/45/630274545.db2.gz CHRILNMZBXWDKX-OAHLLOKOSA-N -1 1 293.363 2.614 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1cc(CC#N)ccn1 ZINC000799642259 630327822 /nfs/dbraw/zinc/32/78/22/630327822.db2.gz WETSFBLFQJDFPS-UHFFFAOYSA-N -1 1 295.408 2.860 20 30 CFEDMM CCc1ccccc1-n1cc([O-])c(C(=O)OCCCC#N)n1 ZINC000801417178 630446095 /nfs/dbraw/zinc/44/60/95/630446095.db2.gz DKZGDJGFUCKDKL-UHFFFAOYSA-N -1 1 299.330 2.601 20 30 CFEDMM N#Cc1sc([N-]c2ccn(CC(F)F)n2)nc1Cl ZINC000804533939 630690292 /nfs/dbraw/zinc/69/02/92/630690292.db2.gz KEZCCHZFWLQNQG-UHFFFAOYSA-N -1 1 289.698 2.873 20 30 CFEDMM O=C(/C=C/c1cc(F)ncc1F)c1ccc([O-])cc1 ZINC000806564665 630811905 /nfs/dbraw/zinc/81/19/05/630811905.db2.gz FNFMVQRUSFYQDQ-ZZXKWVIFSA-N -1 1 261.227 2.962 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cc(F)ncc1F ZINC000806568397 630813385 /nfs/dbraw/zinc/81/33/85/630813385.db2.gz WRJXEHWELZASKI-BASWHVEKSA-N -1 1 275.210 2.682 20 30 CFEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1cn2c(n1)CCCC2 ZINC000806565205 630813421 /nfs/dbraw/zinc/81/34/21/630813421.db2.gz JUIWAJSKOSAIBW-ALCCZGGFSA-N -1 1 286.306 2.960 20 30 CFEDMM CC(C)(C)C#CC(=O)Nc1ccc([O-])c(F)c1F ZINC000837690263 631108728 /nfs/dbraw/zinc/10/87/28/631108728.db2.gz WYXBXHKEFJLJFP-UHFFFAOYSA-N -1 1 253.248 2.658 20 30 CFEDMM CC(=NNC12CC(C1)C2)c1ccc(Cl)cc1[O-] ZINC000842543407 631659200 /nfs/dbraw/zinc/65/92/00/631659200.db2.gz GRIHRTJCKKCAMW-UHFFFAOYSA-N -1 1 250.729 2.912 20 30 CFEDMM CC1(C)C[C@@]1(C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000813300338 631896689 /nfs/dbraw/zinc/89/66/89/631896689.db2.gz CEJDPNMYAWLCGC-ZDUSSCGKSA-N -1 1 282.265 2.726 20 30 CFEDMM C#CC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000844046735 632102671 /nfs/dbraw/zinc/10/26/71/632102671.db2.gz GFANWDDYHUHGIC-UHFFFAOYSA-N -1 1 263.724 2.531 20 30 CFEDMM Cc1c(C=NNc2nc(C)cc(=O)[n-]2)n(C)c2ccccc12 ZINC000814681294 632107055 /nfs/dbraw/zinc/10/70/55/632107055.db2.gz FOXQYYYPWMMAGJ-UHFFFAOYSA-N -1 1 295.346 2.737 20 30 CFEDMM O=C([O-])c1cccc(C=NNc2ccccc2[N+](=O)[O-])c1 ZINC000814686248 632108894 /nfs/dbraw/zinc/10/88/94/632108894.db2.gz ZEFHVYSEPSBRRK-UHFFFAOYSA-N -1 1 285.259 2.739 20 30 CFEDMM C[C@@H](NC(=S)NN=Cc1cccc([O-])c1Cl)C1CC1 ZINC000814866222 632142157 /nfs/dbraw/zinc/14/21/57/632142157.db2.gz NVBFIJFHIAMBBY-MRVPVSSYSA-N -1 1 297.811 2.642 20 30 CFEDMM O=[N+]([O-])c1cccnc1N=NCc1cccc([O-])c1Cl ZINC000814871137 632144137 /nfs/dbraw/zinc/14/41/37/632144137.db2.gz YUFWGMLGWQDZID-UHFFFAOYSA-N -1 1 292.682 2.795 20 30 CFEDMM C[C@]1(CCNC(=O)c2ccc(C#N)c([O-])c2)C[C@@]1(F)Cl ZINC000846401325 632702176 /nfs/dbraw/zinc/70/21/76/632702176.db2.gz CBJPTAXGYYVWOD-KBPBESRZSA-N -1 1 296.729 2.698 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1c(F)cccc1Cl ZINC000846540867 632730110 /nfs/dbraw/zinc/73/01/10/632730110.db2.gz LLYOHGGTGNVPKR-MRVPVSSYSA-N -1 1 257.692 2.644 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1cccc(Cl)c1OCC ZINC000846553381 632740974 /nfs/dbraw/zinc/74/09/74/632740974.db2.gz BXTBZMHHUXXOOU-JTQLQIEISA-N -1 1 283.755 2.904 20 30 CFEDMM O=C(/C=C\c1cn(C2CCC2)nn1)c1ccc([O-])cc1 ZINC000849240589 633588038 /nfs/dbraw/zinc/58/80/38/633588038.db2.gz QFHNUQCJYRLGCH-TWGQIWQCSA-N -1 1 269.304 2.605 20 30 CFEDMM Cn1ncc(C2CC2)c1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000849243332 633588599 /nfs/dbraw/zinc/58/85/99/633588599.db2.gz IPWPQRSFUWLYJL-CHHVJCJISA-N -1 1 282.299 2.619 20 30 CFEDMM C=C(C)C[C@@H](C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000854506198 635320579 /nfs/dbraw/zinc/32/05/79/635320579.db2.gz QKFLPKAJOCLWQP-SNVBAGLBSA-N -1 1 274.320 2.993 20 30 CFEDMM C[C@H](C#N)N(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000855582563 635590205 /nfs/dbraw/zinc/59/02/05/635590205.db2.gz JYUSKGQOPZVMTL-MRVPVSSYSA-N -1 1 264.712 2.562 20 30 CFEDMM CCc1nc(CN[C@@H](C)c2cccc(C#N)c2[O-])co1 ZINC000866371237 638807818 /nfs/dbraw/zinc/80/78/18/638807818.db2.gz JPFFGXWFUCUQGV-JTQLQIEISA-N -1 1 271.320 2.665 20 30 CFEDMM CC1(C)CCC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870691933 639774892 /nfs/dbraw/zinc/77/48/92/639774892.db2.gz UMUAYAFSRBXUSP-CYBMUJFWSA-N -1 1 258.321 2.795 20 30 CFEDMM C[C@@H]1CCC[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870693028 639775375 /nfs/dbraw/zinc/77/53/75/639775375.db2.gz VULOPHSYUHEAJX-DGCLKSJQSA-N -1 1 258.321 2.795 20 30 CFEDMM Cc1[n-]n(-c2ccc(C#N)cc2C(F)(F)F)c(=O)c1F ZINC000871957108 641529887 /nfs/dbraw/zinc/52/98/87/641529887.db2.gz NURHLZYUBBMAAK-JTQLQIEISA-N -1 1 285.200 2.638 20 30 CFEDMM CCc1[n-]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1F ZINC000871957328 641530101 /nfs/dbraw/zinc/53/01/01/641530101.db2.gz RMTUKLUZRFDQDP-LLVKDONJSA-N -1 1 265.675 2.662 20 30 CFEDMM CCn1ncc(N[C@@H](C)c2cccc(C#N)c2[O-])c1C ZINC000872140115 641668413 /nfs/dbraw/zinc/66/84/13/641668413.db2.gz XRFOJVSPLWOVQR-JTQLQIEISA-N -1 1 270.336 2.962 20 30 CFEDMM C#C[C@@H](CCC)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872985412 641977842 /nfs/dbraw/zinc/97/78/42/641977842.db2.gz JJBQMVZHGIWDJZ-NSHDSACASA-N -1 1 280.755 2.647 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCC3(CC3)C2)cc1[O-] ZINC000888695430 642762110 /nfs/dbraw/zinc/76/21/10/642762110.db2.gz AGYPFMHAITYIDT-CYBMUJFWSA-N -1 1 270.332 2.716 20 30 CFEDMM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)nc1 ZINC000125906245 642847275 /nfs/dbraw/zinc/84/72/75/642847275.db2.gz HIKPDZRRNJNHHS-LBPRGKRZSA-N -1 1 290.326 2.767 20 30 CFEDMM C=C(C)CN(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394790 642852272 /nfs/dbraw/zinc/85/22/72/642852272.db2.gz BAAXSZJYBPVDNZ-UHFFFAOYSA-N -1 1 268.744 2.763 20 30 CFEDMM CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@H]1CCC[C@H]1C#N ZINC000879311696 644219210 /nfs/dbraw/zinc/21/92/10/644219210.db2.gz SUKLIBTXTNSRAN-NHYWBVRUSA-N -1 1 298.342 2.623 20 30 CFEDMM [O-]c1c(F)cc(F)cc1C=NO[C@@H]1CCCCO1 ZINC000884442260 646360228 /nfs/dbraw/zinc/36/02/28/646360228.db2.gz AEUJLEBXWYHCHA-LLVKDONJSA-N -1 1 257.236 2.548 20 30 CFEDMM C=CCN(CC=C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927777605 648831263 /nfs/dbraw/zinc/83/12/63/648831263.db2.gz CCJQLBKYGBERKB-UHFFFAOYSA-N -1 1 296.317 2.597 20 30 CFEDMM C#CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)C(C)C ZINC000928628229 648938250 /nfs/dbraw/zinc/93/82/50/648938250.db2.gz IECBIZSHSUOWNK-UHFFFAOYSA-N -1 1 281.739 2.538 20 30 CFEDMM N#Cc1c[nH]c2nc(-c3cccc([O-])c3F)ccc12 ZINC001243542286 782264709 /nfs/dbraw/zinc/26/47/09/782264709.db2.gz NBQBBORZTLGBEK-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM N#Cc1nc(-c2ccc(Cl)c([O-])c2)cc2[nH]cnc21 ZINC001243577255 782288155 /nfs/dbraw/zinc/28/81/55/782288155.db2.gz VEFTXTMJOLCSCF-UHFFFAOYSA-N -1 1 270.679 2.856 20 30 CFEDMM C#C[C@H](CCCCC)Oc1[n-]c(=O)ncc1Br ZINC001227133174 777769757 /nfs/dbraw/zinc/76/97/57/777769757.db2.gz GJPLABKEAOAHNC-SECBINFHSA-N -1 1 299.168 2.906 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2cccnc2)c1 ZINC000254925974 769910329 /nfs/dbraw/zinc/91/03/29/769910329.db2.gz KYLILPPQRKLTRL-XQRVVYSFSA-N -1 1 255.273 2.692 20 30 CFEDMM Cc1cc(C#N)cc(Nc2[nH]c(=S)[n-]c(=O)c2N=O)c1 ZINC001210389035 770277261 /nfs/dbraw/zinc/27/72/61/770277261.db2.gz WNCSBAPGUPCMDZ-UHFFFAOYSA-N -1 1 287.304 2.793 20 30 CFEDMM N#CC[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001225763597 775585134 /nfs/dbraw/zinc/58/51/34/775585134.db2.gz AZFHVFIJXUILJF-JTQLQIEISA-N -1 1 273.317 2.505 20 30 CFEDMM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1cccc(/C=N/[O-])c1)C2 ZINC001226110207 775702480 /nfs/dbraw/zinc/70/24/80/775702480.db2.gz ONYSLBAZGKODOW-FCNRDGCESA-N -1 1 298.298 2.949 20 30 CFEDMM C#CC[C@H](C)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226184169 775727803 /nfs/dbraw/zinc/72/78/03/775727803.db2.gz BLMIEJGYTOZPHP-NSHDSACASA-N -1 1 254.289 2.640 20 30 CFEDMM C=CC[C@H](CCC)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226238799 775749816 /nfs/dbraw/zinc/74/98/16/775749816.db2.gz YMGYZCUUEMGYDU-SNVBAGLBSA-N -1 1 250.298 2.508 20 30 CFEDMM C[C@@H](Oc1nccc(/C=N/[O-])n1)c1cccc(F)c1 ZINC001226253855 775756350 /nfs/dbraw/zinc/75/63/50/775756350.db2.gz NCAPSBTZVZFKAW-PTPOTIKZSA-N -1 1 261.256 2.564 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)C(C)=O ZINC001227120189 776106472 /nfs/dbraw/zinc/10/64/72/776106472.db2.gz HHEBZTDAXAOULL-NSHDSACASA-N -1 1 262.305 2.680 20 30 CFEDMM C#C[C@@H](Oc1cc([O-])ccc1C(=O)COC)c1ccccc1 ZINC001227169467 776121957 /nfs/dbraw/zinc/12/19/57/776121957.db2.gz UAKDIMUAXAURGG-QGZVFWFLSA-N -1 1 296.322 2.975 20 30 CFEDMM C[C@@H](C#C[Si](C)(C)C)Oc1[n-]c(=S)ncc1F ZINC001227384763 776190741 /nfs/dbraw/zinc/19/07/41/776190741.db2.gz AYUUWCXLVZMUBE-QMMMGPOBSA-N -1 1 270.405 2.553 20 30 CFEDMM COC(=O)C[C@H]1CCC[C@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228006863 776359918 /nfs/dbraw/zinc/35/99/18/776359918.db2.gz KCAQBNQHTAAZIP-FZMZJTMJSA-N -1 1 289.331 2.765 20 30 CFEDMM CSc1nc(O[C@@H](C#N)c2ccccc2F)cc(=O)[n-]1 ZINC001228093651 776394014 /nfs/dbraw/zinc/39/40/14/776394014.db2.gz BUCITTJFBPLJED-JTQLQIEISA-N -1 1 291.307 2.687 20 30 CFEDMM CSc1nc(O[C@@H](C)C#C[Si](C)(C)C)cc(=O)[n-]1 ZINC001228095287 776395610 /nfs/dbraw/zinc/39/56/10/776395610.db2.gz QVFDUNCNDCIQJC-VIFPVBQESA-N -1 1 282.441 2.552 20 30 CFEDMM C=C[C@H](CCCCCC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228139807 776406677 /nfs/dbraw/zinc/40/66/77/776406677.db2.gz AREHHGJQGRFROP-SNVBAGLBSA-N -1 1 281.312 2.994 20 30 CFEDMM C#C[C@H](CCC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229214831 776754443 /nfs/dbraw/zinc/75/44/43/776754443.db2.gz HQKZSRHUGMYWKY-LLVKDONJSA-N -1 1 288.299 2.688 20 30 CFEDMM C[C@@H](C#C[Si](C)(C)C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395576 776799975 /nfs/dbraw/zinc/79/99/75/776799975.db2.gz JNTRRNAWXAKCJF-JTQLQIEISA-N -1 1 279.368 2.949 20 30 CFEDMM C=C1O[C@@H](C)C(=O)C1Oc1cc([O-])ccc1C(=O)CC ZINC001229475396 776823155 /nfs/dbraw/zinc/82/31/55/776823155.db2.gz VYODNHWADMCPBJ-QMMMGPOBSA-N -1 1 276.288 2.583 20 30 CFEDMM C=C[C@@H](CCCCCC)Oc1nc(=O)[n-]cc1C(=O)OC ZINC001229869958 776908695 /nfs/dbraw/zinc/90/86/95/776908695.db2.gz CWUNGWMKAFCIDT-NSHDSACASA-N -1 1 294.351 2.873 20 30 CFEDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)C#C[Si](C)(C)C)n1 ZINC001231265118 777180825 /nfs/dbraw/zinc/18/08/25/777180825.db2.gz YOVNCNCTBXHPIC-SNVBAGLBSA-N -1 1 294.383 2.652 20 30 CFEDMM C#CCN(C)Cc1cc(Cl)c([O-])c(Br)c1 ZINC001231749013 777324067 /nfs/dbraw/zinc/32/40/67/777324067.db2.gz VDHVMGZIKAGSCD-UHFFFAOYSA-N -1 1 288.572 2.873 20 30 CFEDMM Cc1cc([C@H]2CCCN2Cc2cc(C#N)ccc2[O-])no1 ZINC001232673411 777637215 /nfs/dbraw/zinc/63/72/15/777637215.db2.gz FOHMVNWCSIRPCZ-OAHLLOKOSA-N -1 1 283.331 2.897 20 30 CFEDMM C#CC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500424 777971271 /nfs/dbraw/zinc/97/12/71/777971271.db2.gz RZMUCNYXYKZZGO-ZETCQYMHSA-N -1 1 279.683 2.915 20 30 CFEDMM C[C@H](CS)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233507624 777973874 /nfs/dbraw/zinc/97/38/74/777973874.db2.gz ZHOLFLCGGQWUKT-RXMQYKEDSA-N -1 1 287.728 2.822 20 30 CFEDMM C[C@@H](C#C[Si](C)(C)C)Oc1cc([O-])ccc1C#N ZINC001228007870 777992633 /nfs/dbraw/zinc/99/26/33/777992633.db2.gz UEDYCAKEZXPSMM-NSHDSACASA-N -1 1 259.381 2.912 20 30 CFEDMM C#C[C@@H](CC(C)C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234044915 778150484 /nfs/dbraw/zinc/15/04/84/778150484.db2.gz QMRWMZYIKAFBIH-NSHDSACASA-N -1 1 286.331 2.776 20 30 CFEDMM C#C[C@@H](CC(C)C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234044915 778150486 /nfs/dbraw/zinc/15/04/86/778150486.db2.gz QMRWMZYIKAFBIH-NSHDSACASA-N -1 1 286.331 2.776 20 30 CFEDMM CC#CC[C@H](CC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234045253 778151693 /nfs/dbraw/zinc/15/16/93/778151693.db2.gz SIOGSGJLBYASRX-NSHDSACASA-N -1 1 286.331 2.920 20 30 CFEDMM CC#CC[C@H](CC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234045253 778151699 /nfs/dbraw/zinc/15/16/99/778151699.db2.gz SIOGSGJLBYASRX-NSHDSACASA-N -1 1 286.331 2.920 20 30 CFEDMM COC(=O)[C@@H]1CCC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234819866 778301838 /nfs/dbraw/zinc/30/18/38/778301838.db2.gz PXMNJTCWNSFVHG-DGCLKSJQSA-N -1 1 277.320 2.605 20 30 CFEDMM CCC1=C(Oc2nc3sccc3[n-]2)C(=O)[C@H](C)O1 ZINC001234847865 778307816 /nfs/dbraw/zinc/30/78/16/778307816.db2.gz MJNMPWOZXYXOMZ-LURJTMIESA-N -1 1 264.306 2.613 20 30 CFEDMM COc1ccc(-c2c(F)ccc(C)c2[O-])nc1CC#N ZINC001236391701 778800740 /nfs/dbraw/zinc/80/07/40/778800740.db2.gz NLLFCMLUZXNRRV-UHFFFAOYSA-N -1 1 272.279 2.976 20 30 CFEDMM C=CCNC(=O)c1ccc(-c2c(F)ccc(C)c2[O-])nc1 ZINC001236394198 778801566 /nfs/dbraw/zinc/80/15/66/778801566.db2.gz XQCSFATVBAIBQZ-UHFFFAOYSA-N -1 1 286.306 2.818 20 30 CFEDMM N#Cc1nc(-c2ccccc2)c(-c2cncc([O-])c2)nc1C#N ZINC001236578316 778881558 /nfs/dbraw/zinc/88/15/58/778881558.db2.gz OERQKSZSRSOXMU-UHFFFAOYSA-N -1 1 299.293 2.655 20 30 CFEDMM COc1cc([O-])c(CN2CCC[C@H]2C#N)c(Cl)c1 ZINC001236797757 778940431 /nfs/dbraw/zinc/94/04/31/778940431.db2.gz IWFUFFIHJKBWIF-VIFPVBQESA-N -1 1 266.728 2.542 20 30 CFEDMM N#C[C@@H]1CCCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC001238236162 779287164 /nfs/dbraw/zinc/28/71/64/779287164.db2.gz QMGZXQFVXDNPNH-LLVKDONJSA-N -1 1 276.311 2.650 20 30 CFEDMM CO[C@H](C)CO[C@@H](C)COc1ccccc1/C(C)=N/[O-] ZINC001229737946 780462325 /nfs/dbraw/zinc/46/23/25/780462325.db2.gz GCUZTARHTUPWEY-KBUSKATCSA-N -1 1 281.352 2.704 20 30 CFEDMM CCOC(=O)c1cnc(-c2cc([O-])cc(F)c2)c(C#N)c1 ZINC001241266439 780745430 /nfs/dbraw/zinc/74/54/30/780745430.db2.gz LLSMITQZWBRLJQ-UHFFFAOYSA-N -1 1 286.262 2.642 20 30 CFEDMM N#Cc1nc2[nH]ccc2cc1-c1cc([O-])cc(F)c1 ZINC001241271017 780747411 /nfs/dbraw/zinc/74/74/11/780747411.db2.gz HILOSJFXKYZNBQ-UHFFFAOYSA-N -1 1 253.236 2.898 20 30 CFEDMM N#Cc1cc(-c2ncccc2C(=O)N2CCCC2)ccc1[O-] ZINC001242562194 781600520 /nfs/dbraw/zinc/60/05/20/781600520.db2.gz KVKMHJIKBHBROZ-UHFFFAOYSA-N -1 1 293.326 2.562 20 30 CFEDMM CCCNc1nc(-c2ccc([O-])c(C#N)c2)ncc1C ZINC001242562240 781600532 /nfs/dbraw/zinc/60/05/32/781600532.db2.gz NEBRCCOKGWWISJ-UHFFFAOYSA-N -1 1 268.320 2.851 20 30 CFEDMM C=CCOc1ccc(-c2ccc([O-])c(C#N)c2)nc1C#N ZINC001242563025 781601641 /nfs/dbraw/zinc/60/16/41/781601641.db2.gz ODUKSPDPRYMETL-UHFFFAOYSA-N -1 1 277.283 2.762 20 30 CFEDMM C[S@@](=O)c1ccccc1-c1ccc([O-])c(C#N)c1 ZINC001242564615 781603002 /nfs/dbraw/zinc/60/30/02/781603002.db2.gz JPWCUJGHLUIESC-GOSISDBHSA-N -1 1 257.314 2.668 20 30 CFEDMM CC(=O)Oc1cccc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565147 781603080 /nfs/dbraw/zinc/60/30/80/781603080.db2.gz NXNIDXFYBYGALK-UHFFFAOYSA-N -1 1 253.257 2.856 20 30 CFEDMM N#Cc1cc(-c2cccc3nsnc32)ccc1[O-] ZINC001242564864 781603509 /nfs/dbraw/zinc/60/35/09/781603509.db2.gz YGJJAYYGEACPEE-UHFFFAOYSA-N -1 1 253.286 2.936 20 30 CFEDMM CSc1c[nH]c2ncnc(-c3ccc([O-])c(C#N)c3)c12 ZINC001242564439 781603537 /nfs/dbraw/zinc/60/35/37/781603537.db2.gz ZWWFBWNHNYTPGY-UHFFFAOYSA-N -1 1 282.328 2.876 20 30 CFEDMM COc1cc2nc[nH]c2cc1-c1ccc([O-])c(C#N)c1 ZINC001242565024 781603708 /nfs/dbraw/zinc/60/37/08/781603708.db2.gz HLIRBZZCICGAFS-UHFFFAOYSA-N -1 1 265.272 2.816 20 30 CFEDMM N#Cc1cc(-c2cccc([C@H]3CNC(=O)C3)c2)ccc1[O-] ZINC001242564768 781603839 /nfs/dbraw/zinc/60/38/39/781603839.db2.gz SGDDSFRZHGAEPG-OAHLLOKOSA-N -1 1 278.311 2.534 20 30 CFEDMM N#Cc1cc(-c2cncnc2C(F)(F)F)ccc1[O-] ZINC001242564690 781603918 /nfs/dbraw/zinc/60/39/18/781603918.db2.gz NTXFEESAADFNAE-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM COC(=O)c1c(F)cc(-c2ccc([O-])c(C#N)c2)cc1F ZINC001242564524 781603949 /nfs/dbraw/zinc/60/39/49/781603949.db2.gz FDVWRFJNZLIAJQ-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM CC1(c2cccc(-c3ccc([O-])c(C#N)c3)n2)OCCO1 ZINC001242565297 781604719 /nfs/dbraw/zinc/60/47/19/781604719.db2.gz WAKDKYQYRVPHKE-UHFFFAOYSA-N -1 1 282.299 2.545 20 30 CFEDMM COc1ccc(-c2ccc([O-])c(C#N)c2)c(OC)c1OC ZINC001242566168 781604771 /nfs/dbraw/zinc/60/47/71/781604771.db2.gz LLMQSWAENUKOQA-UHFFFAOYSA-N -1 1 285.299 2.957 20 30 CFEDMM COC(=O)c1cc(OC)ccc1-c1ccc([O-])c(C#N)c1 ZINC001242565264 781604791 /nfs/dbraw/zinc/60/47/91/781604791.db2.gz UHKJOTCEPFUBFH-UHFFFAOYSA-N -1 1 283.283 2.726 20 30 CFEDMM COC(=O)Cc1ccc(-c2ccc([O-])c(C#N)c2)c(OC)c1 ZINC001242565473 781604885 /nfs/dbraw/zinc/60/48/85/781604885.db2.gz GOWADBKBPIBJNM-UHFFFAOYSA-N -1 1 297.310 2.655 20 30 CFEDMM Cc1nc2cncc(-c3ccc([O-])c(C#N)c3)c2o1 ZINC001242565618 781604912 /nfs/dbraw/zinc/60/49/12/781604912.db2.gz NBNFAPSCWNYXKJ-UHFFFAOYSA-N -1 1 251.245 2.776 20 30 CFEDMM CCOC(=O)c1ccncc1-c1ccc([O-])c(C#N)c1 ZINC001242565855 781605302 /nfs/dbraw/zinc/60/53/02/781605302.db2.gz VOCDLJJIUDBYKP-UHFFFAOYSA-N -1 1 268.272 2.503 20 30 CFEDMM CN1CCc2c(-c3ccc([O-])c(C#N)c3)cccc2C1=O ZINC001242566486 781605841 /nfs/dbraw/zinc/60/58/41/781605841.db2.gz BRESZCPXUJPCKJ-UHFFFAOYSA-N -1 1 278.311 2.559 20 30 CFEDMM CC(C)COc1cnc(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242566830 781606318 /nfs/dbraw/zinc/60/63/18/781606318.db2.gz LUDWCXFACXVKEZ-UHFFFAOYSA-N -1 1 269.304 2.756 20 30 CFEDMM CC1(C)NC(=O)Cc2c(-c3ccc([O-])c(C#N)c3)cccc21 ZINC001242567176 781606825 /nfs/dbraw/zinc/60/68/25/781606825.db2.gz QGWSZBJXPFBFNK-UHFFFAOYSA-N -1 1 292.338 2.838 20 30 CFEDMM CN1C(=O)NCc2cccc(-c3ccc([O-])c(C#N)c3)c21 ZINC001242566949 781607052 /nfs/dbraw/zinc/60/70/52/781607052.db2.gz NMCSRRVIRVPFQD-UHFFFAOYSA-N -1 1 279.299 2.590 20 30 CFEDMM COC(=O)c1nc2cc(-c3ccccc3C#N)ccc2[n-]1 ZINC001242714469 781715260 /nfs/dbraw/zinc/71/52/60/781715260.db2.gz NISQGPJKOZGVMG-UHFFFAOYSA-N -1 1 277.283 2.888 20 30 CFEDMM COC(=O)c1nc2ccc(-c3ccccc3C#N)cc2[n-]1 ZINC001242714469 781715263 /nfs/dbraw/zinc/71/52/63/781715263.db2.gz NISQGPJKOZGVMG-UHFFFAOYSA-N -1 1 277.283 2.888 20 30 CFEDMM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000594790114 349487732 /nfs/dbraw/zinc/48/77/32/349487732.db2.gz RWSACUMOPKTZQE-DGCLKSJQSA-N -1 1 294.376 2.564 20 30 CFEDMM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C[C@@H](C)C1 ZINC000594819787 349489143 /nfs/dbraw/zinc/48/91/43/349489143.db2.gz XAFFCRFJMXJEDG-GDNZZTSVSA-N -1 1 296.392 2.502 20 30 CFEDMM COC(C)(C)C[C@@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596140866 349806280 /nfs/dbraw/zinc/80/62/80/349806280.db2.gz JVHRKLRKUFIWFD-SSDOTTSWSA-N -1 1 273.789 2.706 20 30 CFEDMM C[C@]1(CN=c2[n-]c(C#N)c(Cl)s2)CCCS1 ZINC000596161093 349813850 /nfs/dbraw/zinc/81/38/50/349813850.db2.gz DDWMSZUDIGCZPP-SNVBAGLBSA-N -1 1 273.814 2.788 20 30 CFEDMM N#Cc1[n-]c(=NC2CC3(CCC3)C2)sc1Cl ZINC000596296420 349855551 /nfs/dbraw/zinc/85/55/51/349855551.db2.gz VVCXIPNPZBHWNS-UHFFFAOYSA-N -1 1 253.758 2.835 20 30 CFEDMM Cn1cc(C(=O)OC(C)(C)C)nc1-c1ccc([O-])c(C#N)c1 ZINC000596634579 349963416 /nfs/dbraw/zinc/96/34/16/349963416.db2.gz KXGVRYQPKLYELI-UHFFFAOYSA-N -1 1 299.330 2.620 20 30 CFEDMM N#CC1(CNCc2cccc(C(=O)[O-])c2)CCCCC1 ZINC000596657953 349970301 /nfs/dbraw/zinc/97/03/01/349970301.db2.gz XXBMTCBBRXZNEV-UHFFFAOYSA-N -1 1 272.348 2.948 20 30 CFEDMM COc1cc(C#N)ccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000234794644 348223346 /nfs/dbraw/zinc/22/33/46/348223346.db2.gz DLMAKMQWSPUBBG-UHFFFAOYSA-N -1 1 296.392 2.745 20 30 CFEDMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589170878 348814945 /nfs/dbraw/zinc/81/49/45/348814945.db2.gz HJEWKYICQKTZQU-DGCLKSJQSA-N -1 1 272.348 2.820 20 30 CFEDMM Cc1ccsc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589171845 348815352 /nfs/dbraw/zinc/81/53/52/348815352.db2.gz PWSUBLRERRBYJW-UHFFFAOYSA-N -1 1 272.329 2.564 20 30 CFEDMM COc1ccc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589168367 348815414 /nfs/dbraw/zinc/81/54/14/348815414.db2.gz WOQGYXJYGYYUFH-NSHDSACASA-N -1 1 296.326 2.763 20 30 CFEDMM Cc1cccc2c1CC[C@H]2NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589179176 348816217 /nfs/dbraw/zinc/81/62/17/348816217.db2.gz GHAJWMVETYEOOM-QGZVFWFLSA-N -1 1 292.338 2.990 20 30 CFEDMM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C[C@@H](C)C1 ZINC000589195987 348818266 /nfs/dbraw/zinc/81/82/66/348818266.db2.gz WAUHWUASMGSMGZ-NEPJUHHUSA-N -1 1 272.348 2.772 20 30 CFEDMM CC[C@H]1CC[C@H](C)N1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589197220 348818636 /nfs/dbraw/zinc/81/86/36/348818636.db2.gz HKVPDAHFIISTFX-GWCFXTLKSA-N -1 1 258.321 2.667 20 30 CFEDMM CN(C[C@@H]1CC=CCC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589202150 348820032 /nfs/dbraw/zinc/82/00/32/348820032.db2.gz YKCHMIQSOIFEGA-GFCCVEGCSA-N -1 1 270.332 2.692 20 30 CFEDMM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589527580 348837945 /nfs/dbraw/zinc/83/79/45/348837945.db2.gz RANZMJMBYPYWSG-MGPLVRAMSA-N -1 1 294.310 2.516 20 30 CFEDMM N#Cc1[n-]c(=N[C@@H]2CCOC3(CCCC3)C2)sc1Cl ZINC000590586207 348911692 /nfs/dbraw/zinc/91/16/92/348911692.db2.gz LTPTYSIACKWUIL-SECBINFHSA-N -1 1 297.811 2.994 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000591813985 349046360 /nfs/dbraw/zinc/04/63/60/349046360.db2.gz FGEKTEFYDIKITG-DZGCQCFKSA-N -1 1 284.359 2.962 20 30 CFEDMM N#Cc1ccc(C(=O)NCC2CCC(F)CC2)cc1[O-] ZINC000592897603 349176033 /nfs/dbraw/zinc/17/60/33/349176033.db2.gz HAVCSYMQXILMOL-UHFFFAOYSA-N -1 1 276.311 2.522 20 30 CFEDMM N#CCC1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000597497516 350104550 /nfs/dbraw/zinc/10/45/50/350104550.db2.gz GZWKTJNRJYMNDF-UHFFFAOYSA-N -1 1 295.342 2.706 20 30 CFEDMM CC[C@](C)(NC(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000598251936 350225319 /nfs/dbraw/zinc/22/53/19/350225319.db2.gz YAAYQAANVNQIHB-HNNXBMFYSA-N -1 1 258.321 2.572 20 30 CFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)C[C@@H](C)C1(F)F ZINC000600186446 350534441 /nfs/dbraw/zinc/53/44/41/350534441.db2.gz ZOUHWABVKIPIAH-NXEZZACHSA-N -1 1 294.301 2.627 20 30 CFEDMM C=C(C)C[C@@H](N=c1nc(C2CCCC2)[n-]s1)C(=O)OC ZINC000601226276 350702608 /nfs/dbraw/zinc/70/26/08/350702608.db2.gz DRNVXVNQJXOQMT-LLVKDONJSA-N -1 1 295.408 2.537 20 30 CFEDMM C=CCN(CCC#N)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601591499 350743874 /nfs/dbraw/zinc/74/38/74/350743874.db2.gz MTWZUPFAQNCBFI-UHFFFAOYSA-N -1 1 278.739 2.516 20 30 CFEDMM CCC(C)(C)CCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000601745290 350771373 /nfs/dbraw/zinc/77/13/73/350771373.db2.gz VDLJIXDNGOKLMT-UHFFFAOYSA-N -1 1 260.337 2.820 20 30 CFEDMM N#Cc1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000609851203 351523000 /nfs/dbraw/zinc/52/30/00/351523000.db2.gz TZTHSBQINJIYHB-UHFFFAOYSA-N -1 1 256.236 2.655 20 30 CFEDMM N#Cc1ccc(CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000610339872 351554980 /nfs/dbraw/zinc/55/49/80/351554980.db2.gz YGLBORSHVALJFJ-UHFFFAOYSA-N -1 1 270.263 2.584 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])nc1 ZINC000611099965 351640031 /nfs/dbraw/zinc/64/00/31/351640031.db2.gz UCKUAYJHFYRYNM-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293048 352076354 /nfs/dbraw/zinc/07/63/54/352076354.db2.gz PXRNFUKYMTZPBA-YGRLFVJLSA-N -1 1 258.321 2.572 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCCSc2ccccc2)c1 ZINC000614293017 352076585 /nfs/dbraw/zinc/07/65/85/352076585.db2.gz ONOPEOMMOJCBHL-UHFFFAOYSA-N -1 1 298.367 2.786 20 30 CFEDMM COc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000614293077 352076617 /nfs/dbraw/zinc/07/66/17/352076617.db2.gz UNJFHDXYPMZTQK-UHFFFAOYSA-N -1 1 298.298 2.533 20 30 CFEDMM Cc1cc(N(C)C)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614296599 352076963 /nfs/dbraw/zinc/07/69/63/352076963.db2.gz KJYYIMKZWXIRLB-UHFFFAOYSA-N -1 1 295.342 2.891 20 30 CFEDMM CCCCN(C(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000614363199 352084956 /nfs/dbraw/zinc/08/49/56/352084956.db2.gz NJHCEMFDWAOHGE-UHFFFAOYSA-N -1 1 258.321 2.669 20 30 CFEDMM CCCCn1nccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614366190 352085792 /nfs/dbraw/zinc/08/57/92/352085792.db2.gz JWIDIPSMVXRJEJ-UHFFFAOYSA-N -1 1 284.319 2.513 20 30 CFEDMM CC1(C)CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000615486175 352198899 /nfs/dbraw/zinc/19/88/99/352198899.db2.gz YQBGPOMSLLXCSK-CYBMUJFWSA-N -1 1 272.348 2.962 20 30 CFEDMM C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000617042998 352477964 /nfs/dbraw/zinc/47/79/64/352477964.db2.gz XYLWCLQTSLITCC-IUODEOHRSA-N -1 1 287.359 2.826 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCCC(F)(F)C2)c1 ZINC000619728975 353060877 /nfs/dbraw/zinc/06/08/77/353060877.db2.gz JEQZTDKPBBDSKR-SNVBAGLBSA-N -1 1 294.301 2.819 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]c(=O)oc3c2)n1 ZINC000619752467 353063523 /nfs/dbraw/zinc/06/35/23/353063523.db2.gz YVBUVAPKDWCRGJ-SECBINFHSA-N -1 1 299.311 2.788 20 30 CFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccsc1 ZINC000619777544 353066029 /nfs/dbraw/zinc/06/60/29/353066029.db2.gz HEFQXQVTOJQCLY-VIFPVBQESA-N -1 1 272.329 2.816 20 30 CFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])cc1F ZINC000620305887 353149363 /nfs/dbraw/zinc/14/93/63/353149363.db2.gz UTHJKFJKFREVKD-PHIMTYICSA-N -1 1 261.296 2.855 20 30 CFEDMM C=C1CC(C)(C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000633360256 355875382 /nfs/dbraw/zinc/87/53/82/355875382.db2.gz CFFBQMLPGQPLII-UHFFFAOYSA-N -1 1 253.248 2.965 20 30 CFEDMM N#Cc1[n-]c(=NCC2(C(F)F)CC2)sc1Cl ZINC000596221254 540705338 /nfs/dbraw/zinc/70/53/38/540705338.db2.gz DKSTUTRUSCIULY-UHFFFAOYSA-N -1 1 263.700 2.547 20 30 CFEDMM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426769159 239261212 /nfs/dbraw/zinc/26/12/12/239261212.db2.gz GIEWETPTQPNLKX-OAHLLOKOSA-N -1 1 284.290 2.613 20 30 CFEDMM CC[C@H](CC(F)(F)F)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442798216 241001020 /nfs/dbraw/zinc/00/10/20/241001020.db2.gz GQUOXTKWVRNELX-SNVBAGLBSA-N -1 1 286.253 2.725 20 30 CFEDMM Cc1ccc(C(C)(C)NC(=O)c2ccc(C#N)c([O-])c2)cn1 ZINC000442807725 241004333 /nfs/dbraw/zinc/00/43/33/241004333.db2.gz FIPSAJWVYDECRC-UHFFFAOYSA-N -1 1 295.342 2.632 20 30 CFEDMM CCN(CCC1CC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442802071 241004561 /nfs/dbraw/zinc/00/45/61/241004561.db2.gz QJFZQFNSIKIPJB-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2CCc3ccccc3C2)cc1[O-] ZINC000442900780 241018313 /nfs/dbraw/zinc/01/83/13/241018313.db2.gz SCYPZOVVDIDIAA-INIZCTEOSA-N -1 1 292.338 2.551 20 30 CFEDMM C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000442953129 241024050 /nfs/dbraw/zinc/02/40/50/241024050.db2.gz WRLOOMUAOWLVPB-LLVKDONJSA-N -1 1 298.317 2.936 20 30 CFEDMM C[C@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000330679435 203109174 /nfs/dbraw/zinc/10/91/74/203109174.db2.gz XPXOGZBJUVANRV-RYUDHWBXSA-N -1 1 296.392 2.646 20 30 CFEDMM C=CCCN(C)C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000276428975 193327697 /nfs/dbraw/zinc/32/76/97/193327697.db2.gz CVYHETSNMLWQIB-UHFFFAOYSA-N -1 1 286.331 2.597 20 30 CFEDMM CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000016130198 372099276 /nfs/dbraw/zinc/09/92/76/372099276.db2.gz YZGPGRGIHIAYQL-UHFFFAOYSA-N -1 1 286.356 2.921 20 30 CFEDMM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000431596171 383684417 /nfs/dbraw/zinc/68/44/17/383684417.db2.gz NDQURBANANTFSC-UHFFFAOYSA-N -1 1 284.381 2.502 20 30 CFEDMM N#CC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000070217949 374149589 /nfs/dbraw/zinc/14/95/89/374149589.db2.gz GCSPODTWXAQMMB-UHFFFAOYSA-N -1 1 280.327 2.921 20 30 CFEDMM Cc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)s1 ZINC000334402061 379237400 /nfs/dbraw/zinc/23/74/00/379237400.db2.gz ZJEZMENGGAXVEJ-UHFFFAOYSA-N -1 1 272.329 2.564 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000334537462 379480432 /nfs/dbraw/zinc/48/04/32/379480432.db2.gz UBSCZGUXDGPEKX-UHFFFAOYSA-N -1 1 262.652 2.763 20 30 CFEDMM N#Cc1cscc1C(=O)Nc1cc(F)ccc1[O-] ZINC000335790192 379893223 /nfs/dbraw/zinc/89/32/23/379893223.db2.gz PNBWWIZLLIDQGQ-UHFFFAOYSA-N -1 1 262.265 2.717 20 30 CFEDMM CC(C)(C#N)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000335219862 380026977 /nfs/dbraw/zinc/02/69/77/380026977.db2.gz SRLZGMHXYGRJID-UHFFFAOYSA-N -1 1 254.236 2.549 20 30 CFEDMM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000295701528 381025220 /nfs/dbraw/zinc/02/52/20/381025220.db2.gz JZJKYYNZDFFJIN-LLVKDONJSA-N -1 1 282.365 2.564 20 30 CFEDMM CC#CCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000184900532 381495542 /nfs/dbraw/zinc/49/55/42/381495542.db2.gz SIYNAOKBKPZQIC-UHFFFAOYSA-N -1 1 278.377 2.570 20 30 CFEDMM CC#CCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000184900532 381495548 /nfs/dbraw/zinc/49/55/48/381495548.db2.gz SIYNAOKBKPZQIC-UHFFFAOYSA-N -1 1 278.377 2.570 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC000291842268 381776175 /nfs/dbraw/zinc/77/61/75/381776175.db2.gz HMKGWQQRBSIMCT-UHFFFAOYSA-N -1 1 266.366 2.667 20 30 CFEDMM Cc1ncoc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000349291400 381877229 /nfs/dbraw/zinc/87/72/29/381877229.db2.gz ZGQQAXGASXOCQQ-JTQLQIEISA-N -1 1 280.287 2.658 20 30 CFEDMM CC#CCCCC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000186439759 381911462 /nfs/dbraw/zinc/91/14/62/381911462.db2.gz MVMIIZUSSPUCKG-UHFFFAOYSA-N -1 1 272.308 2.505 20 30 CFEDMM C=CCCCC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000351575445 382044027 /nfs/dbraw/zinc/04/40/27/382044027.db2.gz HMRMEBAQWMBZKV-UHFFFAOYSA-N -1 1 275.320 2.599 20 30 CFEDMM C=CCC(F)(F)C(=O)[N-][C@H](C)c1c(F)cncc1F ZINC000293602308 382192286 /nfs/dbraw/zinc/19/22/86/382192286.db2.gz JJBUIELYONQDJK-SSDOTTSWSA-N -1 1 276.233 2.748 20 30 CFEDMM C[C@@H](C1CC1)n1cc([N-]c2nccc(C#N)c2[N+](=O)[O-])cn1 ZINC000302394268 382245190 /nfs/dbraw/zinc/24/51/90/382245190.db2.gz ISWDLFQDFIEISX-VIFPVBQESA-N -1 1 298.306 2.773 20 30 CFEDMM CCc1ccccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188499610 382424366 /nfs/dbraw/zinc/42/43/66/382424366.db2.gz XNPQXWIIAQJKRC-UHFFFAOYSA-N -1 1 280.327 2.756 20 30 CFEDMM CC[C@H](C)CN(CC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188610670 382443042 /nfs/dbraw/zinc/44/30/42/382443042.db2.gz HEZVJCZTBIJMSB-NSHDSACASA-N -1 1 260.337 2.772 20 30 CFEDMM N#Cc1ccc(C(=O)NCc2nc(C3CC3)cs2)cc1[O-] ZINC000188682723 382456852 /nfs/dbraw/zinc/45/68/52/382456852.db2.gz XEJJRGYINSGGIF-UHFFFAOYSA-N -1 1 299.355 2.528 20 30 CFEDMM CC1(C)C(CNC(=O)c2ccc(C#N)c([O-])c2)C1(C)C ZINC000358324485 382568350 /nfs/dbraw/zinc/56/83/50/382568350.db2.gz KRVRXOBVMSIFTR-UHFFFAOYSA-N -1 1 272.348 2.676 20 30 CFEDMM N#Cc1ccc(C(=O)NCCCc2ccccc2)cc1[O-] ZINC000189782768 382640362 /nfs/dbraw/zinc/64/03/62/382640362.db2.gz OFAMSMBDADSOQS-UHFFFAOYSA-N -1 1 280.327 2.626 20 30 CFEDMM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000191002334 382688038 /nfs/dbraw/zinc/68/80/38/382688038.db2.gz WMMYAXDTZBQCOK-SMDDNHRTSA-N -1 1 272.348 2.820 20 30 CFEDMM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000191002349 382688057 /nfs/dbraw/zinc/68/80/57/382688057.db2.gz WMMYAXDTZBQCOK-RISCZKNCSA-N -1 1 272.348 2.820 20 30 CFEDMM Cc1ccccc1C[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190760897 382679888 /nfs/dbraw/zinc/67/98/88/382679888.db2.gz FTEYBAXWWITODU-ZDUSSCGKSA-N -1 1 294.354 2.933 20 30 CFEDMM Cc1ccccc1C[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190760883 382679913 /nfs/dbraw/zinc/67/99/13/382679913.db2.gz FTEYBAXWWITODU-CYBMUJFWSA-N -1 1 294.354 2.933 20 30 CFEDMM C=CCSCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000194581709 382749074 /nfs/dbraw/zinc/74/90/74/382749074.db2.gz MQFDOMDJEWQZLG-UHFFFAOYSA-N -1 1 271.769 2.695 20 30 CFEDMM N#Cc1ccc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1[O-] ZINC000575842977 382801498 /nfs/dbraw/zinc/80/14/98/382801498.db2.gz GGJFENIAABTNMJ-ZBFHGGJFSA-N -1 1 282.343 2.524 20 30 CFEDMM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442798213 382958116 /nfs/dbraw/zinc/95/81/16/382958116.db2.gz GQUOXTKWVRNELX-JTQLQIEISA-N -1 1 286.253 2.725 20 30 CFEDMM C[C@@H](CC(C)(C)C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000457201562 382987994 /nfs/dbraw/zinc/98/79/94/382987994.db2.gz YMZNOLSLXORVOF-JTQLQIEISA-N -1 1 260.337 2.818 20 30 CFEDMM Cc1cnc(C(=O)N[C@](C)(C#N)C2CCCCC2)c([O-])c1 ZINC000566538813 383188382 /nfs/dbraw/zinc/18/83/82/383188382.db2.gz NVTJVCBHJRLQLP-MRXNPFEDSA-N -1 1 287.363 2.688 20 30 CFEDMM CCN(C(=O)c1cncc([O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000339829990 383334134 /nfs/dbraw/zinc/33/41/34/383334134.db2.gz TXNJBMSOMQBFFA-LBPRGKRZSA-N -1 1 295.342 2.882 20 30 CFEDMM CC(C)(CCC#N)CN=c1nc(C(F)(F)F)[n-]s1 ZINC000340929945 383507519 /nfs/dbraw/zinc/50/75/19/383507519.db2.gz BJPGKLUEYPDRHI-UHFFFAOYSA-N -1 1 278.303 2.721 20 30 CFEDMM CC#CCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000289083128 197230221 /nfs/dbraw/zinc/23/02/21/197230221.db2.gz NDUYHACWUWSNFM-UHFFFAOYSA-N -1 1 260.268 2.927 20 30 CFEDMM C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000282837173 385397802 /nfs/dbraw/zinc/39/78/02/385397802.db2.gz RCJZGJVSSKCTKV-JTQLQIEISA-N -1 1 277.320 2.720 20 30 CFEDMM C=CCN(CCc1ccco1)C(=O)c1ccc([O-])c(F)c1 ZINC000681066336 542407346 /nfs/dbraw/zinc/40/73/46/542407346.db2.gz YBRKQJWPCXZSFE-UHFFFAOYSA-N -1 1 289.306 2.995 20 30 CFEDMM CC(C)CCN(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000188267102 393564233 /nfs/dbraw/zinc/56/42/33/393564233.db2.gz WWTOYPKXGQYLDQ-UHFFFAOYSA-N -1 1 272.348 2.915 20 30 CFEDMM N#Cc1csc(C(=O)[N-]c2nnc(C(F)F)s2)c1 ZINC000084086523 393746237 /nfs/dbraw/zinc/74/62/37/393746237.db2.gz OSLUDRGBIZHFQH-UHFFFAOYSA-N -1 1 286.288 2.661 20 30 CFEDMM COc1cc(-c2nc3ccc(C#N)cc3[nH]2)cc(OC)c1O ZINC000123216112 393978165 /nfs/dbraw/zinc/97/81/65/393978165.db2.gz WANHLODWRORUQU-UHFFFAOYSA-N -1 1 295.298 2.824 20 30 CFEDMM N#CC(=C([O-])c1cc(Cl)cc2c1OCC2)c1ccncn1 ZINC000361022080 394163138 /nfs/dbraw/zinc/16/31/38/394163138.db2.gz JCSQVMXFVBVEMG-GFCCVEGCSA-N -1 1 299.717 2.555 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccn1 ZINC000291844009 394268960 /nfs/dbraw/zinc/26/89/60/394268960.db2.gz HWBQZRQSTJLNIV-UHFFFAOYSA-N -1 1 294.298 2.808 20 30 CFEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ncccc1[O-] ZINC000153550643 394285796 /nfs/dbraw/zinc/28/57/96/394285796.db2.gz TXXMXODJFROCAT-UHFFFAOYSA-N -1 1 295.342 2.711 20 30 CFEDMM CCCCCCCCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155462223 394316752 /nfs/dbraw/zinc/31/67/52/394316752.db2.gz ASPMFLUCOJTSOQ-ZDUSSCGKSA-N -1 1 293.415 2.656 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2c([O-])cccc2Cl)nc1 ZINC000557182646 395032017 /nfs/dbraw/zinc/03/20/17/395032017.db2.gz YJJXLTJWJJAFJC-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM N#Cc1c[nH]c2ccnc(-c3cc(F)ccc3[O-])c12 ZINC001240693420 782010119 /nfs/dbraw/zinc/01/01/19/782010119.db2.gz AYJSLLZSRRZYBX-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1C ZINC000007053186 170264273 /nfs/dbraw/zinc/26/42/73/170264273.db2.gz MCKOGRMTJAHPED-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1C ZINC000007053188 170264400 /nfs/dbraw/zinc/26/44/00/170264400.db2.gz BGRQSZHNAVKWGU-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM CC1(C)Cc2cccc(C([O-])=C(C#N)c3ccncn3)c2O1 ZINC000654987621 414051838 /nfs/dbraw/zinc/05/18/38/414051838.db2.gz GDRHNGFUJWOPRF-ZDUSSCGKSA-N -1 1 293.326 2.680 20 30 CFEDMM C=CCCC(C)(C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000660143200 414670539 /nfs/dbraw/zinc/67/05/39/414670539.db2.gz NSKVNGXOTIMHGM-UHFFFAOYSA-N -1 1 289.347 2.988 20 30 CFEDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)CC#N)c1[O-] ZINC000063087493 260237673 /nfs/dbraw/zinc/23/76/73/260237673.db2.gz VFMJUFGBRRAPPI-VIFPVBQESA-N -1 1 280.755 2.982 20 30 CFEDMM CC(C)n1cc(/C=C2/CCc3cc([O-])ccc3C2=O)nn1 ZINC000287055523 263100761 /nfs/dbraw/zinc/10/07/61/263100761.db2.gz IXBJDQLQPACLPN-GHXNOFRVSA-N -1 1 283.331 2.777 20 30 CFEDMM N#CCCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289314183 263109118 /nfs/dbraw/zinc/10/91/18/263109118.db2.gz CYWDGNUXRYCOAR-UHFFFAOYSA-N -1 1 259.281 2.906 20 30 CFEDMM C=CCN(CCC#N)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000293632945 263145573 /nfs/dbraw/zinc/14/55/73/263145573.db2.gz CVKHBNLYMAHBDH-UHFFFAOYSA-N -1 1 298.264 2.953 20 30 CFEDMM N#C[C@H]1CC[C@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000295436274 263177613 /nfs/dbraw/zinc/17/76/13/263177613.db2.gz VEKWAEIBELMJMZ-WPRPVWTQSA-N -1 1 261.350 2.844 20 30 CFEDMM Cc1noc(C)c1[C@H](C)CNC(=O)c1ncc(C)cc1[O-] ZINC000330674824 264014837 /nfs/dbraw/zinc/01/48/37/264014837.db2.gz ZYOJZKDFZGVCIC-SECBINFHSA-N -1 1 289.335 2.809 20 30 CFEDMM C[C@H](C[C@H]1CCCO1)NC(=O)c1cc(F)ccc1[O-] ZINC000331231679 264153417 /nfs/dbraw/zinc/15/34/17/264153417.db2.gz ILMCDBHUZCFGJR-MWLCHTKSSA-N -1 1 267.300 2.794 20 30 CFEDMM Cc1cnc(C(=O)NCC[C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000331200786 264160351 /nfs/dbraw/zinc/16/03/51/264160351.db2.gz MZOJFRKTPUUNPU-VXGBXAGGSA-N -1 1 278.352 2.605 20 30 CFEDMM N#Cc1ccc(C(=O)NC2CCC(C(N)=O)CC2)cc1[O-] ZINC000331270944 264169153 /nfs/dbraw/zinc/16/91/53/264169153.db2.gz MSMWKYLXNJYIMX-UHFFFAOYSA-N -1 1 287.319 2.663 20 30 CFEDMM NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000331250026 264180913 /nfs/dbraw/zinc/18/09/13/264180913.db2.gz WIJLTLYEMNTNRC-MNOVXSKESA-N -1 1 290.319 2.625 20 30 CFEDMM C=CCCC[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189146410 264272888 /nfs/dbraw/zinc/27/28/88/264272888.db2.gz YBAVFWQVSMZISQ-NSHDSACASA-N -1 1 258.321 2.738 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCc3ccc(F)cc3C2)cc1[O-] ZINC000188699587 267832840 /nfs/dbraw/zinc/83/28/40/267832840.db2.gz QGCPQMDAGXLNOT-UHFFFAOYSA-N -1 1 296.301 2.601 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2CCc3ccc(F)cc32)cc1[O-] ZINC000525954438 268204587 /nfs/dbraw/zinc/20/45/87/268204587.db2.gz APRSTHJWPKHLSX-HNNXBMFYSA-N -1 1 296.301 2.820 20 30 CFEDMM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442978672 280033410 /nfs/dbraw/zinc/03/34/10/280033410.db2.gz YOTVIGLBFQFJDK-APPDUMDISA-N -1 1 292.338 2.927 20 30 CFEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ncccc1[O-] ZINC000124070936 280637327 /nfs/dbraw/zinc/63/73/27/280637327.db2.gz MUELBWIFJZOSRY-UHFFFAOYSA-N -1 1 295.342 2.710 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2ncccc2[O-])cc1Cl ZINC000153317878 289865606 /nfs/dbraw/zinc/86/56/06/289865606.db2.gz VLBJAFJTVJOIGD-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM C[C@@H](C#N)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000271137991 328195386 /nfs/dbraw/zinc/19/53/86/328195386.db2.gz SWDHQPFDOILKBF-VIFPVBQESA-N -1 1 283.169 2.746 20 30 CFEDMM N#CC1CCC(CNC(=O)c2c([O-])cccc2F)CC1 ZINC000282236262 328241899 /nfs/dbraw/zinc/24/18/99/328241899.db2.gz IVBLBIXSMSTVBI-UHFFFAOYSA-N -1 1 276.311 2.591 20 30 CFEDMM CC1CCC(N(C)C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188231866 324011204 /nfs/dbraw/zinc/01/12/04/324011204.db2.gz BOOVYMIMJLPBAW-UHFFFAOYSA-N -1 1 272.348 2.915 20 30 CFEDMM Cc1ccc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)s1 ZINC000188437495 324015283 /nfs/dbraw/zinc/01/52/83/324015283.db2.gz VNGILMIBTZDEIF-UHFFFAOYSA-N -1 1 286.356 2.906 20 30 CFEDMM N#Cc1c[nH]c(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000350820518 324263138 /nfs/dbraw/zinc/26/31/38/324263138.db2.gz VZYMRUXWNOJQBJ-UHFFFAOYSA-N -1 1 286.678 2.962 20 30 CFEDMM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000574532669 327344303 /nfs/dbraw/zinc/34/43/03/327344303.db2.gz ZKFDTLBDFFGBNB-ZDUSSCGKSA-N -1 1 297.362 2.669 20 30 CFEDMM N#CC1(NC(=O)c2ccc3ccccc3c2[O-])CCC1 ZINC000128219216 327419043 /nfs/dbraw/zinc/41/90/43/327419043.db2.gz HGRUVLNBNCNUKA-UHFFFAOYSA-N -1 1 266.300 2.721 20 30 CFEDMM N#CCCCC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000360398406 328906300 /nfs/dbraw/zinc/90/63/00/328906300.db2.gz XCPJFFGQQWFWDL-UHFFFAOYSA-N -1 1 294.767 2.846 20 30 CFEDMM C=C(C)[C@H](CC(=O)Nc1nc(Cl)ccc1[O-])OCC ZINC000279695231 330123899 /nfs/dbraw/zinc/12/38/99/330123899.db2.gz ISVUAACBIMVZHW-JTQLQIEISA-N -1 1 284.743 2.750 20 30 CFEDMM CC(C)(CCC#N)CNC(=O)c1ccc([O-])cc1F ZINC000436741656 330684106 /nfs/dbraw/zinc/68/41/06/330684106.db2.gz UQNPXRDPDQAXSK-UHFFFAOYSA-N -1 1 264.300 2.591 20 30 CFEDMM C=CCCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000447809857 330877430 /nfs/dbraw/zinc/87/74/30/330877430.db2.gz DIFKYOXIURZKJY-UHFFFAOYSA-N -1 1 284.363 2.661 20 30 CFEDMM C=CCC1(CNC(=O)c2cncc([O-])c2)CCCC1 ZINC000456503045 331194538 /nfs/dbraw/zinc/19/45/38/331194538.db2.gz ICZQFNHNXOFKJI-UHFFFAOYSA-N -1 1 260.337 2.654 20 30 CFEDMM CC#CCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000166246738 331306920 /nfs/dbraw/zinc/30/69/20/331306920.db2.gz FTRIDRNJJMJWSR-UHFFFAOYSA-N -1 1 253.301 2.689 20 30 CFEDMM C#C[C@H](CCC)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000491671472 332278518 /nfs/dbraw/zinc/27/85/18/332278518.db2.gz WXTYMLNVUXNRIB-SNVBAGLBSA-N -1 1 281.739 2.586 20 30 CFEDMM C#C[C@@H](CC)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000491673222 332279590 /nfs/dbraw/zinc/27/95/90/332279590.db2.gz IGOFCTQEGJGURX-QMMMGPOBSA-N -1 1 273.229 2.585 20 30 CFEDMM C#CCN(C(=O)c1ccc(C#N)c([O-])c1)C1CCCCC1 ZINC000491783837 332347122 /nfs/dbraw/zinc/34/71/22/332347122.db2.gz KEXOLQRIXMQGBZ-UHFFFAOYSA-N -1 1 282.343 2.672 20 30 CFEDMM CCOc1cc(C(=O)N[C@@](C)(C#N)CC)cc(Cl)c1[O-] ZINC000546585800 334038852 /nfs/dbraw/zinc/03/88/52/334038852.db2.gz ZRLONZUOMNSANX-CQSZACIVSA-N -1 1 296.754 2.866 20 30 CFEDMM Cc1nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)c(C)o1 ZINC000551816673 334263207 /nfs/dbraw/zinc/26/32/07/334263207.db2.gz LNNJXAMFIYAFAG-LLVKDONJSA-N -1 1 294.314 2.966 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000386381534 336172005 /nfs/dbraw/zinc/17/20/05/336172005.db2.gz DMQJQALYQCOIHS-JTQLQIEISA-N -1 1 274.292 2.668 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC[C@@H](CC3CC3)C2)cc1[O-] ZINC000557486105 518196563 /nfs/dbraw/zinc/19/65/63/518196563.db2.gz GGYLNEFDZPQZDL-LBPRGKRZSA-N -1 1 270.332 2.526 20 30 CFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000336074228 534825369 /nfs/dbraw/zinc/82/53/69/534825369.db2.gz GZGPREPIRCHWHZ-UHFFFAOYSA-N -1 1 286.356 2.862 20 30 CFEDMM C=CCCC1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000355044498 527097967 /nfs/dbraw/zinc/09/79/67/527097967.db2.gz VZDOAHAAVHJVAP-UHFFFAOYSA-N -1 1 274.246 2.508 20 30 CFEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(C)(C)C ZINC000442972119 535872734 /nfs/dbraw/zinc/87/27/34/535872734.db2.gz WYFBXZHCGPABDH-ZDUSSCGKSA-N -1 1 260.337 2.818 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(F)cc1C ZINC000731311340 574115856 /nfs/dbraw/zinc/11/58/56/574115856.db2.gz BSMGEZABCVPLNG-UHFFFAOYSA-N -1 1 274.299 2.774 20 30 CFEDMM [O-]c1c(F)cccc1C=NNC(=S)NC1CCCCC1 ZINC000755505686 574166337 /nfs/dbraw/zinc/16/63/37/574166337.db2.gz OZGTUWGFTAOXBY-UHFFFAOYSA-N -1 1 295.383 2.662 20 30 CFEDMM O=C([O-])c1csc(C=NNc2cnc3ccccc3n2)c1 ZINC000755682289 574178089 /nfs/dbraw/zinc/17/80/89/574178089.db2.gz DFVXQQFMFLEHOP-UHFFFAOYSA-N -1 1 298.327 2.836 20 30 CFEDMM Cc1ccnc(NN=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000755906613 574196597 /nfs/dbraw/zinc/19/65/97/574196597.db2.gz NUSAEVOHHGFSSM-LBPRGKRZSA-N -1 1 299.330 2.688 20 30 CFEDMM CC(=NN=C(C)c1cnccn1)c1ccc([O-])c(F)c1 ZINC000745207137 574213989 /nfs/dbraw/zinc/21/39/89/574213989.db2.gz YDZVWQHWPCKDLJ-UHFFFAOYSA-N -1 1 272.283 2.555 20 30 CFEDMM O=C([O-])c1ccc(O)c(CN=Nc2c(F)cccc2F)c1 ZINC000740155163 574239963 /nfs/dbraw/zinc/23/99/63/574239963.db2.gz NRAAJEUECWMXFQ-UHFFFAOYSA-N -1 1 292.241 2.815 20 30 CFEDMM Cc1nn(C)c2ncc(/C=C/C(=O)c3ccc([O-])cc3)cc12 ZINC000748511009 574256575 /nfs/dbraw/zinc/25/65/75/574256575.db2.gz JEYQSIXCEAQVIG-FPYGCLRLSA-N -1 1 293.326 2.878 20 30 CFEDMM CSCC(=NNc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000749444361 574295613 /nfs/dbraw/zinc/29/56/13/574295613.db2.gz VIUVFXKVKDYLLO-UHFFFAOYSA-N -1 1 288.376 2.670 20 30 CFEDMM O=C([O-])c1ccccc1C=NNc1ncnc2sccc21 ZINC000725817520 574316230 /nfs/dbraw/zinc/31/62/30/574316230.db2.gz IAQMPXOPKWKLDF-UHFFFAOYSA-N -1 1 298.327 2.836 20 30 CFEDMM C=CCCCOC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000735533111 574328326 /nfs/dbraw/zinc/32/83/26/574328326.db2.gz SWIGWBYIUYRIMF-UHFFFAOYSA-N -1 1 297.376 2.571 20 30 CFEDMM Cn1ccnc1C(=O)/C=C/c1ccc([O-])c(Cl)c1 ZINC000735792631 574336008 /nfs/dbraw/zinc/33/60/08/574336008.db2.gz HMQLIVDCHCLTGZ-HWKANZROSA-N -1 1 262.696 2.675 20 30 CFEDMM C=CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736102495 574350319 /nfs/dbraw/zinc/35/03/19/574350319.db2.gz LHRVWVHNSBOVIQ-UHFFFAOYSA-N -1 1 269.728 2.508 20 30 CFEDMM C=CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736102495 574350320 /nfs/dbraw/zinc/35/03/20/574350320.db2.gz LHRVWVHNSBOVIQ-UHFFFAOYSA-N -1 1 269.728 2.508 20 30 CFEDMM CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)C1CC1 ZINC000736304270 574361172 /nfs/dbraw/zinc/36/11/72/574361172.db2.gz MRTBNQFQJHRVAY-UHFFFAOYSA-N -1 1 289.343 2.566 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2C2CC2)c(=O)o1 ZINC000751031667 574368624 /nfs/dbraw/zinc/36/86/24/574368624.db2.gz BDETXWDHIMCBDY-IJDCCNJMSA-N -1 1 296.322 2.792 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(Cl)ccc2F)n1 ZINC000753691780 574408074 /nfs/dbraw/zinc/40/80/74/574408074.db2.gz NQFRUWRLOKCINR-UHFFFAOYSA-N -1 1 280.690 2.729 20 30 CFEDMM CC(C)N(CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000826935615 601414251 /nfs/dbraw/zinc/41/42/51/601414251.db2.gz HVPVTOXGFOOEQL-UHFFFAOYSA-N -1 1 299.292 2.852 20 30 CFEDMM CC[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000828900567 601498715 /nfs/dbraw/zinc/49/87/15/601498715.db2.gz HYHSAAMPJNMPRL-QFKBZZQOSA-N -1 1 276.119 2.981 20 30 CFEDMM N#Cc1csc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000833078436 604467624 /nfs/dbraw/zinc/46/76/24/604467624.db2.gz KIHFQVXKYPMGTQ-HNNXBMFYSA-N -1 1 298.367 2.631 20 30 CFEDMM CC(C)N(Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833497444 604604431 /nfs/dbraw/zinc/60/44/31/604604431.db2.gz BJIAVQNVEQMURI-UHFFFAOYSA-N -1 1 258.321 2.629 20 30 CFEDMM CC1(C)CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833560266 604607350 /nfs/dbraw/zinc/60/73/50/604607350.db2.gz KFZHLQKZVUCYCX-UHFFFAOYSA-N -1 1 272.348 2.878 20 30 CFEDMM CC1(C)CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833560254 604609359 /nfs/dbraw/zinc/60/93/59/604609359.db2.gz JSJUEBHCDBJTIU-UHFFFAOYSA-N -1 1 272.348 2.878 20 30 CFEDMM CC(=[NH+][N-]c1ccc(C(=O)[O-])cn1)c1ccc(N)cc1C ZINC000763372082 604667561 /nfs/dbraw/zinc/66/75/61/604667561.db2.gz QTMOTOGANMJRCF-UHFFFAOYSA-N -1 1 284.319 2.507 20 30 CFEDMM CCC[C@@H](C)CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825232385 607886674 /nfs/dbraw/zinc/88/66/74/607886674.db2.gz GPOOJEXNIRASRR-SECBINFHSA-N -1 1 291.359 2.812 20 30 CFEDMM C=CCC(F)(F)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760849 617838092 /nfs/dbraw/zinc/83/80/92/617838092.db2.gz BATGATXOVIRVCY-UHFFFAOYSA-N -1 1 275.682 2.873 20 30 CFEDMM COC(=O)c1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1 ZINC000255084654 617954324 /nfs/dbraw/zinc/95/43/24/617954324.db2.gz VVGOORZLIISLSV-YWEYNIOJSA-N -1 1 298.294 2.781 20 30 CFEDMM C=CC[C@@H]1CCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000890549117 617638180 /nfs/dbraw/zinc/63/81/80/617638180.db2.gz HNRQJCSWPRCQCD-SNVBAGLBSA-N -1 1 286.306 2.870 20 30 CFEDMM C=CC[C@@H]1CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000890547710 617639563 /nfs/dbraw/zinc/63/95/63/617639563.db2.gz CMPJAUKSYUUKIW-LLVKDONJSA-N -1 1 265.740 2.765 20 30 CFEDMM C=CC[C@@H]1CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000890561802 617654149 /nfs/dbraw/zinc/65/41/49/617654149.db2.gz KXUGEZQRVRHMRV-SNVBAGLBSA-N -1 1 251.713 2.836 20 30 CFEDMM C=CCC(C)(C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891616065 617686268 /nfs/dbraw/zinc/68/62/68/617686268.db2.gz XTBVIOPCYDBXOH-UHFFFAOYSA-N -1 1 275.352 2.602 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)s2)c(=O)o1 ZINC000254966743 617699980 /nfs/dbraw/zinc/69/99/80/617699980.db2.gz YMPYRWZEGLTCQB-QQHVMHFCSA-N -1 1 296.731 2.630 20 30 CFEDMM C=CCCCN(CC)C(=O)c1ccc([O-])c(F)c1 ZINC000890812313 617910270 /nfs/dbraw/zinc/91/02/70/617910270.db2.gz INNPIJFPHJXNJW-UHFFFAOYSA-N -1 1 251.301 2.960 20 30 CFEDMM Cc1cc(C(F)(F)C(=O)[N-]C2(C#N)CCC2)cnc1Cl ZINC000930795664 618276066 /nfs/dbraw/zinc/27/60/66/618276066.db2.gz WIBIRSKGJJKTBA-UHFFFAOYSA-N -1 1 299.708 2.698 20 30 CFEDMM CCC[C@H](OCC)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371887 620797494 /nfs/dbraw/zinc/79/74/94/620797494.db2.gz JZDGPPIKYFIXTF-ZDUSSCGKSA-N -1 1 269.316 2.749 20 30 CFEDMM C=C(CC)CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895255340 618500310 /nfs/dbraw/zinc/50/03/10/618500310.db2.gz SXGWQYSWOFAWBD-UHFFFAOYSA-N -1 1 268.744 2.811 20 30 CFEDMM COc1ccc(C(=O)Nc2cccc(OCC#N)c2)c([O-])c1 ZINC000314333791 618789110 /nfs/dbraw/zinc/78/91/10/618789110.db2.gz DLDNIVVEJXHXNV-UHFFFAOYSA-N -1 1 298.298 2.555 20 30 CFEDMM C#CC[C@H](Nc1cc(=O)[n-]c(COC)n1)c1ccccc1 ZINC000892995499 618795373 /nfs/dbraw/zinc/79/53/73/618795373.db2.gz REBYLTNZGLMIKA-ZDUSSCGKSA-N -1 1 283.331 2.505 20 30 CFEDMM C#CC[C@@H](Nc1cc(=O)[n-]c(COC)n1)c1ccccc1 ZINC000892995497 618795403 /nfs/dbraw/zinc/79/54/03/618795403.db2.gz REBYLTNZGLMIKA-CYBMUJFWSA-N -1 1 283.331 2.505 20 30 CFEDMM C=CCN(Cc1ncc(Br)cc1[O-])C1CC1 ZINC000893558639 619071190 /nfs/dbraw/zinc/07/11/90/619071190.db2.gz AMSDYYFUZNAPDW-UHFFFAOYSA-N -1 1 283.169 2.700 20 30 CFEDMM C#CCCCCNC(=O)c1cc(Br)ccc1[O-] ZINC000163053382 619121981 /nfs/dbraw/zinc/12/19/81/619121981.db2.gz DQQSRDRFEVTPSL-UHFFFAOYSA-N -1 1 296.164 2.688 20 30 CFEDMM N#CC1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000895987014 619649054 /nfs/dbraw/zinc/64/90/54/619649054.db2.gz XUXBNOCNRVSLOX-UHFFFAOYSA-N -1 1 296.326 2.627 20 30 CFEDMM C=C1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000896755726 619807089 /nfs/dbraw/zinc/80/70/89/619807089.db2.gz USANVCYQPCZKLB-UHFFFAOYSA-N -1 1 296.317 2.575 20 30 CFEDMM CCn1cnc(/C=C2\CCc3cc([O-])ccc3C2=O)c1 ZINC000899352171 620547563 /nfs/dbraw/zinc/54/75/63/620547563.db2.gz AJJYADHFKUKXFE-KPKJPENVSA-N -1 1 268.316 2.821 20 30 CFEDMM O=C(/C=C\c1ccnn1C1CCC1)c1cc(O)ccc1[O-] ZINC000899361986 620553196 /nfs/dbraw/zinc/55/31/96/620553196.db2.gz GOGJDKGISBNLBG-XQRVVYSFSA-N -1 1 284.315 2.915 20 30 CFEDMM C=C(C)C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000901680136 620891755 /nfs/dbraw/zinc/89/17/55/620891755.db2.gz UGMIGKWIUFBUDY-UHTWSYAYSA-N -1 1 263.337 2.912 20 30 CFEDMM C[C@@H](OCC1CC1)C(=O)N([O-])Cc1ccccc1Cl ZINC000904188567 621545519 /nfs/dbraw/zinc/54/55/19/621545519.db2.gz FCBRYDNECZKIGY-SNVBAGLBSA-N -1 1 283.755 2.873 20 30 CFEDMM C=C[C@H](CC)CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000905948626 621910271 /nfs/dbraw/zinc/91/02/71/621910271.db2.gz OHSYSHWIOBOCMK-SNVBAGLBSA-N -1 1 275.352 2.602 20 30 CFEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000907096752 622082962 /nfs/dbraw/zinc/08/29/62/622082962.db2.gz GZAFQABKCFDLQE-GWCFXTLKSA-N -1 1 281.739 2.965 20 30 CFEDMM C=CC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000908462023 622232517 /nfs/dbraw/zinc/23/25/17/622232517.db2.gz HYMWVCPYJPDYQB-UHFFFAOYSA-N -1 1 277.748 2.722 20 30 CFEDMM C=C[C@](C)(CCOC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985974 622379751 /nfs/dbraw/zinc/37/97/51/622379751.db2.gz VTWSEQDKLGUXLO-CQSZACIVSA-N -1 1 285.290 2.838 20 30 CFEDMM CC#CCCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982527 622494327 /nfs/dbraw/zinc/49/43/27/622494327.db2.gz KTVNUEJTFSVMGJ-UHFFFAOYSA-N -1 1 253.248 2.803 20 30 CFEDMM C=CC1(CC(=O)Nc2c(C)[n-][nH]c2=O)CCCCC1 ZINC000820407079 622664678 /nfs/dbraw/zinc/66/46/78/622664678.db2.gz ASNDMNMPXFJVKZ-UHFFFAOYSA-N -1 1 263.341 2.889 20 30 CFEDMM CCC(F)(F)C(=O)[N-][C@@H](C#N)c1ccc(F)cc1 ZINC000820507409 622690824 /nfs/dbraw/zinc/69/08/24/622690824.db2.gz NANBSGMDWYYNLH-JTQLQIEISA-N -1 1 256.227 2.552 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC=CC23CCCC3)cc1[O-] ZINC000913205216 622854926 /nfs/dbraw/zinc/85/49/26/622854926.db2.gz WXVNCNCLXXKQOT-UHFFFAOYSA-N -1 1 268.316 2.589 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2c(C)noc2C)c1 ZINC000156688637 622954573 /nfs/dbraw/zinc/95/45/73/622954573.db2.gz CWVHYJHVJHHFDD-FNORWQNLSA-N -1 1 273.288 2.902 20 30 CFEDMM CC(CCC(C)C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914599542 623906713 /nfs/dbraw/zinc/90/67/13/623906713.db2.gz IPCPQULDBDGGNQ-UHFFFAOYSA-N -1 1 293.392 2.537 20 30 CFEDMM [O-]c1c(Br)cccc1C=NNc1ccccn1 ZINC000915943453 624195105 /nfs/dbraw/zinc/19/51/05/624195105.db2.gz DWDUIMLLYOHECJ-UHFFFAOYSA-N -1 1 292.136 2.996 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccccc2OCC2CC2)n1 ZINC000920359569 624714872 /nfs/dbraw/zinc/71/48/72/624714872.db2.gz OLATWAREPIIMRC-UHFFFAOYSA-N -1 1 298.346 2.725 20 30 CFEDMM C=C1CCC(CNC(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000830979893 624944665 /nfs/dbraw/zinc/94/46/65/624944665.db2.gz GQRFYBWFSAGARW-UHFFFAOYSA-N -1 1 287.363 2.536 20 30 CFEDMM C#C[C@@H](CC)NC(=O)c1cc2ccccc2cc1[O-] ZINC000233888216 624959594 /nfs/dbraw/zinc/95/95/94/624959594.db2.gz XJBMPCJQOBMDRN-ZDUSSCGKSA-N -1 1 253.301 2.687 20 30 CFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000831299226 624985592 /nfs/dbraw/zinc/98/55/92/624985592.db2.gz NOTYDWISRWAHNM-GFCCVEGCSA-N -1 1 295.335 2.652 20 30 CFEDMM C#CCC(C)(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825522 625885073 /nfs/dbraw/zinc/88/50/73/625885073.db2.gz MAOOIZAGRLANBK-UHFFFAOYSA-N -1 1 265.740 2.711 20 30 CFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1csc(C(C)C)n1 ZINC000768764079 625903776 /nfs/dbraw/zinc/90/37/76/625903776.db2.gz QBHLTLWFKFOZQM-UHFFFAOYSA-N -1 1 291.380 2.907 20 30 CFEDMM C[C@H]1C[C@H]1c1ccc(CN=Nc2ccc(C(=O)[O-])nc2)o1 ZINC000835007432 625954297 /nfs/dbraw/zinc/95/42/97/625954297.db2.gz TWZSDARZEWTVPV-JOYOIKCWSA-N -1 1 285.303 2.942 20 30 CFEDMM Cc1cc(Br)c([O-])c(CN2CC(C)(C#N)C2)c1 ZINC000839132826 626527937 /nfs/dbraw/zinc/52/79/37/626527937.db2.gz LXEICOSGWQKITM-UHFFFAOYSA-N -1 1 295.180 2.809 20 30 CFEDMM [O-]c1ccc(C=NOCC(F)F)cc1Br ZINC000758900436 626616196 /nfs/dbraw/zinc/61/61/96/626616196.db2.gz UZMIALBNHKMFJS-UHFFFAOYSA-N -1 1 280.068 2.770 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C(CC(C)C)c2ccccn2)n1 ZINC000760217585 626720372 /nfs/dbraw/zinc/72/03/72/626720372.db2.gz HDVKSADRTVFHSA-UHFFFAOYSA-N -1 1 285.351 2.748 20 30 CFEDMM N#CC(=C([O-])C=Cc1ccccc1F)c1ccncn1 ZINC000760356532 626739025 /nfs/dbraw/zinc/73/90/25/626739025.db2.gz HZVSUHCYZHKHRY-FYJFLYSWSA-N -1 1 267.263 2.505 20 30 CFEDMM CC(C)C[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765759218 627155927 /nfs/dbraw/zinc/15/59/27/627155927.db2.gz BYEDYHGIKVIRKC-JTQLQIEISA-N -1 1 284.281 2.972 20 30 CFEDMM CCC(CC)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769808585 627476631 /nfs/dbraw/zinc/47/66/31/627476631.db2.gz LFLDFKVHAFVJOE-UHFFFAOYSA-N -1 1 290.371 2.875 20 30 CFEDMM [O-]c1ccc(C=NNCC(F)(F)F)cc1Br ZINC000769813165 627477270 /nfs/dbraw/zinc/47/72/70/627477270.db2.gz BWBQEIGASRUEFO-UHFFFAOYSA-N -1 1 297.074 2.641 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cnc(CC(C)C)s2)n1 ZINC000772827905 627750082 /nfs/dbraw/zinc/75/00/82/627750082.db2.gz MWQYBSPOWJLSLD-UHFFFAOYSA-N -1 1 291.380 2.592 20 30 CFEDMM N#Cc1ccc(COC(=O)c2ccc([O-])cc2F)cc1 ZINC000773567341 627838298 /nfs/dbraw/zinc/83/82/98/627838298.db2.gz JSXFNTNQEINQJS-UHFFFAOYSA-N -1 1 271.247 2.760 20 30 CFEDMM CCCCCCCC[C@@H](C)CC(=O)Nc1nnn[n-]1 ZINC000775535360 628035409 /nfs/dbraw/zinc/03/54/09/628035409.db2.gz IJBKRSWPEFTNHF-LLVKDONJSA-N -1 1 267.377 2.915 20 30 CFEDMM CCCCCCCC[C@@H](C)CC(=O)Nc1nn[n-]n1 ZINC000775535360 628035413 /nfs/dbraw/zinc/03/54/13/628035413.db2.gz IJBKRSWPEFTNHF-LLVKDONJSA-N -1 1 267.377 2.915 20 30 CFEDMM Nc1nc(Cl)cc(N=NCc2ccc([O-])c(Cl)c2)n1 ZINC000778545008 628314125 /nfs/dbraw/zinc/31/41/25/628314125.db2.gz KXRNSSJCFPUKFG-UHFFFAOYSA-N -1 1 298.133 2.517 20 30 CFEDMM COc1ccc(N=NC(C)c2ccccc2C(=O)[O-])nc1 ZINC000780267449 628448314 /nfs/dbraw/zinc/44/83/14/628448314.db2.gz LPCDNAIKPCVUNA-UHFFFAOYSA-N -1 1 285.303 2.625 20 30 CFEDMM Cc1cc(Br)c([O-])c(CN(CC#N)C2CC2)c1 ZINC000781896954 628589809 /nfs/dbraw/zinc/58/98/09/628589809.db2.gz AVYQGNFULMILJP-UHFFFAOYSA-N -1 1 295.180 2.951 20 30 CFEDMM Cc1cccc2c1CCN(C(=O)c1ccc(C#N)c([O-])c1)C2 ZINC000785584622 628895511 /nfs/dbraw/zinc/89/55/11/628895511.db2.gz NZFAPUGESKPVMH-UHFFFAOYSA-N -1 1 292.338 2.771 20 30 CFEDMM N#Cc1ccc2c(c1)CC[C@H]2[N-]C(=O)C(F)(F)C(F)F ZINC000786395183 628953923 /nfs/dbraw/zinc/95/39/23/628953923.db2.gz NDQMOXLPNSOMSD-SNVBAGLBSA-N -1 1 286.228 2.562 20 30 CFEDMM [O-]c1ccc(C=NN[C@H](CO)c2ccccc2)cc1Cl ZINC000788461166 629071221 /nfs/dbraw/zinc/07/12/21/629071221.db2.gz QNANXYRQQYTTGO-CQSZACIVSA-N -1 1 290.750 2.703 20 30 CFEDMM O=c1[nH]ccc2cc(NN=Cc3cccc(F)c3[O-])ccc12 ZINC000789073820 629123390 /nfs/dbraw/zinc/12/33/90/629123390.db2.gz RMPOCSZMAYMGQS-UHFFFAOYSA-N -1 1 297.289 2.819 20 30 CFEDMM CC(=NNCCc1ccccn1)c1ccc([O-])c(Cl)c1 ZINC000789112264 629127857 /nfs/dbraw/zinc/12/78/57/629127857.db2.gz DCOFXDLHSADTPX-UHFFFAOYSA-N -1 1 289.766 2.997 20 30 CFEDMM Cc1ccc2nc(/C=C3/Oc4cc([O-])ccc4C3=O)cn2c1 ZINC000789127379 629128489 /nfs/dbraw/zinc/12/84/89/629128489.db2.gz JJMVRFVZPQZQKB-GIDUJCDVSA-N -1 1 292.294 2.965 20 30 CFEDMM Cc1cccnc1N=NCc1ccc(C(=O)[O-])cc1 ZINC000790192893 629218679 /nfs/dbraw/zinc/21/86/79/629218679.db2.gz JHEYQUUFRCSBQQ-UHFFFAOYSA-N -1 1 255.277 2.534 20 30 CFEDMM O=[N+]([O-])c1ccc(CN=Nc2cccc(Cl)n2)cc1[O-] ZINC000793176123 629499303 /nfs/dbraw/zinc/49/93/03/629499303.db2.gz YRAYHRUGWKDTHV-UHFFFAOYSA-N -1 1 292.682 2.795 20 30 CFEDMM Cc1cccnc1NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794939426 629707510 /nfs/dbraw/zinc/70/75/10/629707510.db2.gz IJUIYJLPDXFNPZ-LBPRGKRZSA-N -1 1 299.330 2.688 20 30 CFEDMM COCCCON=Cc1c([O-])ccc(Cl)c1F ZINC000795042747 629728735 /nfs/dbraw/zinc/72/87/35/629728735.db2.gz XGWRLKZEIHCLEQ-UHFFFAOYSA-N -1 1 261.680 2.572 20 30 CFEDMM C=CCCC[C@H](C)OC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000796366544 629909313 /nfs/dbraw/zinc/90/93/13/629909313.db2.gz TXKFQNRXLKEJLR-JTQLQIEISA-N -1 1 265.309 2.703 20 30 CFEDMM C=C(Cl)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000798292333 630177801 /nfs/dbraw/zinc/17/78/01/630177801.db2.gz DELBLDQCWBBQCH-UHFFFAOYSA-N -1 1 279.645 2.893 20 30 CFEDMM COc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)ccc1C#N ZINC000799494670 630315148 /nfs/dbraw/zinc/31/51/48/630315148.db2.gz JDNUELWMDZTQCM-APSNUPSMSA-N -1 1 293.278 2.889 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C2C[C@@H](C)c3ccccc32)n1 ZINC000807940423 630924510 /nfs/dbraw/zinc/92/45/10/630924510.db2.gz KDWNOZUSRBOIJA-SECBINFHSA-N -1 1 268.320 2.814 20 30 CFEDMM C=CCO[N-]C(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000837048430 630946052 /nfs/dbraw/zinc/94/60/52/630946052.db2.gz PFDQGAPVKVREJN-LLVKDONJSA-N -1 1 258.321 2.516 20 30 CFEDMM CC(=NN[C@@H](C)CC#N)c1ccc(Cl)cc1[O-] ZINC000841631758 631437401 /nfs/dbraw/zinc/43/74/01/631437401.db2.gz GJGXFNOMUGWJSS-QMMMGPOBSA-N -1 1 251.717 2.661 20 30 CFEDMM C#C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000812353631 631695232 /nfs/dbraw/zinc/69/52/32/631695232.db2.gz VFDBFPNELLKMPI-CQSZACIVSA-N -1 1 286.718 2.545 20 30 CFEDMM Cc1cc(C)nc(N=NCc2cccc([O-])c2Cl)n1 ZINC000814681542 632106852 /nfs/dbraw/zinc/10/68/52/632106852.db2.gz QRJRMPISIDMISY-UHFFFAOYSA-N -1 1 276.727 2.898 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NC1COc2ccccc21 ZINC000814887619 632150199 /nfs/dbraw/zinc/15/01/99/632150199.db2.gz URHBLWIJOUXCOM-UHFFFAOYSA-N -1 1 298.298 2.602 20 30 CFEDMM N#Cc1c(=O)[n-]cc2c1CCCC2=NNC1CCCCC1 ZINC000844591636 632257176 /nfs/dbraw/zinc/25/71/76/632257176.db2.gz PMYAMJMONXBYRR-UHFFFAOYSA-N -1 1 284.363 2.622 20 30 CFEDMM C[C@@]1(CCNC(=O)c2ccc(C#N)c([O-])c2)C[C@]1(F)Cl ZINC000846401340 632702484 /nfs/dbraw/zinc/70/24/84/632702484.db2.gz CBJPTAXGYYVWOD-ZIAGYGMSSA-N -1 1 296.729 2.698 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1c(C)nc([C@@H](C)CC)nc1C ZINC000848245699 633223101 /nfs/dbraw/zinc/22/31/01/633223101.db2.gz NKZZWSSJXLLTBE-QWRGUYRKSA-N -1 1 291.395 2.772 20 30 CFEDMM C#C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000848280901 633230828 /nfs/dbraw/zinc/23/08/28/633230828.db2.gz PNHLJYHHRBJZJC-JTQLQIEISA-N -1 1 297.276 2.896 20 30 CFEDMM C#C[C@@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000848288359 633234460 /nfs/dbraw/zinc/23/44/60/633234460.db2.gz HVXISGRMHMVLAY-SNVBAGLBSA-N -1 1 293.750 2.540 20 30 CFEDMM O=C(/C=C/c1ccnn1CC1CC1)c1ccc([O-])cc1 ZINC000849240108 633588165 /nfs/dbraw/zinc/58/81/65/633588165.db2.gz FPYMJOHQTDQSJI-VMPITWQZSA-N -1 1 268.316 2.895 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccnn1CC1CC1)O2 ZINC000849243600 633588695 /nfs/dbraw/zinc/58/86/95/633588695.db2.gz LKZBYDQPHRKVRU-VIZOYTHASA-N -1 1 296.326 2.923 20 30 CFEDMM N#Cc1c(=O)[n-]cc2c1CCCC2=NOCC1CCC1 ZINC000853441337 635001430 /nfs/dbraw/zinc/00/14/30/635001430.db2.gz WCDIWXVLIMGUTJ-UHFFFAOYSA-N -1 1 271.320 2.516 20 30 CFEDMM C=CC(C)(C)CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000862396442 637356643 /nfs/dbraw/zinc/35/66/43/637356643.db2.gz PRDQTZOKIKWJRA-UHFFFAOYSA-N -1 1 291.395 2.946 20 30 CFEDMM C#CC[C@H]1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000862561820 637429388 /nfs/dbraw/zinc/42/93/88/637429388.db2.gz QYKCLNBXFPELKC-JTQLQIEISA-N -1 1 293.750 2.540 20 30 CFEDMM CCCn1cc(/C=C2\CCc3cc([O-])ccc3C2=O)nn1 ZINC000865216278 638225563 /nfs/dbraw/zinc/22/55/63/638225563.db2.gz BHOPXTLCTRULQK-XYOKQWHBSA-N -1 1 283.331 2.606 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cn(C3CC3)cn1)O2 ZINC000865219547 638226549 /nfs/dbraw/zinc/22/65/49/638226549.db2.gz UGXXCZKHZKDWRX-RZNTYIFUSA-N -1 1 282.299 2.848 20 30 CFEDMM CC(C)OCCON=c1[n-]cc(C#N)c2ccsc21 ZINC000865824199 638594246 /nfs/dbraw/zinc/59/42/46/638594246.db2.gz YOCXNXHBOWEPPD-UHFFFAOYSA-N -1 1 277.349 2.936 20 30 CFEDMM CCc1nn(C)cc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866325287 638797329 /nfs/dbraw/zinc/79/73/29/638797329.db2.gz IRBFUPMKIBOOJE-SNVBAGLBSA-N -1 1 270.336 2.733 20 30 CFEDMM C#CC[C@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000869073777 639023734 /nfs/dbraw/zinc/02/37/34/639023734.db2.gz MTEMYBHFVJQZRD-LBPRGKRZSA-N -1 1 291.778 2.850 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1coc2c1ccc(OC)c2C ZINC000869154197 639049894 /nfs/dbraw/zinc/04/98/94/639049894.db2.gz OGQUEPUEGXITTC-SNVBAGLBSA-N -1 1 289.331 2.915 20 30 CFEDMM CCCCCCCCS(=O)(=O)c1n[n-]c(CC)n1 ZINC000191053681 650475833 /nfs/dbraw/zinc/47/58/33/650475833.db2.gz HGJNKURXGJQCPU-UHFFFAOYSA-N -1 1 273.402 2.501 20 30 CFEDMM N#CCCCCOC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869736489 639375393 /nfs/dbraw/zinc/37/53/93/639375393.db2.gz INWAWDCOBGGTRA-UHFFFAOYSA-N -1 1 267.712 2.825 20 30 CFEDMM CC[C@@H](CC(F)F)C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870689717 639772383 /nfs/dbraw/zinc/77/23/83/639772383.db2.gz AHGTVKWMNLLAIT-JTQLQIEISA-N -1 1 268.263 2.650 20 30 CFEDMM N#CCCCOc1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000874928637 642554203 /nfs/dbraw/zinc/55/42/03/642554203.db2.gz SPCSGFDYMPOOHM-FMIVXFBMSA-N -1 1 288.328 2.693 20 30 CFEDMM [O-]c1ccc(C=NNCCC(F)(F)F)c(F)c1F ZINC000884458332 646368738 /nfs/dbraw/zinc/36/87/38/646368738.db2.gz BSWVWVWQYNTGPI-UHFFFAOYSA-N -1 1 268.185 2.546 20 30 CFEDMM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccns1 ZINC000885285746 646655177 /nfs/dbraw/zinc/65/51/77/646655177.db2.gz QEQHZOMXRDONTL-GHMZBOCLSA-N -1 1 286.422 2.556 20 30 CFEDMM C#CCSCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000219294563 646994149 /nfs/dbraw/zinc/99/41/49/646994149.db2.gz CKSMLQBYHXLNPJ-UHFFFAOYSA-N -1 1 285.368 2.642 20 30 CFEDMM C=C1CCN(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000932061606 649530428 /nfs/dbraw/zinc/53/04/28/649530428.db2.gz GJKMTOZKQXASIM-UHFFFAOYSA-N -1 1 298.346 2.762 20 30 CFEDMM COc1ccc(-c2c(F)cc([O-])cc2F)nc1CC#N ZINC001241120312 782252093 /nfs/dbraw/zinc/25/20/93/782252093.db2.gz ZKPQCVWOTBHFCS-UHFFFAOYSA-N -1 1 276.242 2.807 20 30 CFEDMM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCC[P@](=O)([O-])O ZINC001224603126 775224663 /nfs/dbraw/zinc/22/46/63/775224663.db2.gz VLWXHXYWUOORMC-SDDRHHMPSA-N -1 1 262.286 2.562 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2sccc2Cl)c(=O)o1 ZINC000588601443 775268920 /nfs/dbraw/zinc/26/89/20/775268920.db2.gz MLQNVFHQQNYWHV-DLGQBQFBSA-N -1 1 296.731 2.630 20 30 CFEDMM C=C[C@@H](OCCCC[P@@](=O)([O-])O)c1ccccc1 ZINC001225018830 775335974 /nfs/dbraw/zinc/33/59/74/775335974.db2.gz IUZLMGWWQMWAOA-CYBMUJFWSA-N -1 1 270.265 2.888 20 30 CFEDMM C=C1O[C@@H](CC)C(=O)C1Oc1cc([O-])ccc1C(C)=O ZINC001225618456 775527180 /nfs/dbraw/zinc/52/71/80/775527180.db2.gz FIKXSUHMUIIPSJ-LBPRGKRZSA-N -1 1 276.288 2.583 20 30 CFEDMM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2cc(=O)[n-]c(=S)[nH]2)O1 ZINC001225766476 775586713 /nfs/dbraw/zinc/58/67/13/775586713.db2.gz UDEQJQZHFPFCOY-XPTSAGLGSA-N -1 1 296.392 2.752 20 30 CFEDMM Cc1nn(C)cc1[C@@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226110407 775702005 /nfs/dbraw/zinc/70/20/05/775702005.db2.gz RPADZIHTTIENPR-OXFWXOROSA-N -1 1 259.309 2.677 20 30 CFEDMM CCCCOC(=O)[C@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226114795 775703968 /nfs/dbraw/zinc/70/39/68/775703968.db2.gz QKIHJMLYEHLSTE-KBVGCWLLSA-N -1 1 265.309 2.605 20 30 CFEDMM C#C[C@@H](Oc1cccc(/C=N/[O-])c1)c1ccncc1 ZINC001226116707 775705611 /nfs/dbraw/zinc/70/56/11/775705611.db2.gz UILRXXAMICPGPN-QAEAHILHSA-N -1 1 252.273 2.643 20 30 CFEDMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CC[C@@H](C#N)C3)c12 ZINC001226488058 775842784 /nfs/dbraw/zinc/84/27/84/775842784.db2.gz DHBBWFWZTYQBDJ-ZYHUDNBSSA-N -1 1 285.299 2.878 20 30 CFEDMM C#C[C@@H](CCC)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487393 775843081 /nfs/dbraw/zinc/84/30/81/775843081.db2.gz WUULTCGYHKYZHW-LBPRGKRZSA-N -1 1 272.300 2.988 20 30 CFEDMM Cc1nc(=O)[n-]c(O[C@H](C#N)c2cccc(F)c2)c1Cl ZINC001227114053 776103077 /nfs/dbraw/zinc/10/30/77/776103077.db2.gz XOUZSVKHNJNIPS-SNVBAGLBSA-N -1 1 293.685 2.927 20 30 CFEDMM C[C@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccccn1 ZINC001227617291 776245564 /nfs/dbraw/zinc/24/55/64/776245564.db2.gz CIOTYNJAAOLOSY-JTQLQIEISA-N -1 1 265.272 2.671 20 30 CFEDMM C=C[C@@H](Oc1[n-]c(=O)nc2c1COC2)c1ccccc1 ZINC001227686250 776255697 /nfs/dbraw/zinc/25/56/97/776255697.db2.gz KHYDYZUJFARNTD-CYBMUJFWSA-N -1 1 270.288 2.519 20 30 CFEDMM COC(=O)C[C@H]1CCC[C@@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228006865 776360677 /nfs/dbraw/zinc/36/06/77/776360677.db2.gz KCAQBNQHTAAZIP-SMDDNHRTSA-N -1 1 289.331 2.765 20 30 CFEDMM C[C@H](Oc1cc([O-])ccc1C#N)c1cccnc1F ZINC001228008335 776361917 /nfs/dbraw/zinc/36/19/17/776361917.db2.gz XCYAMXHKPPBJHC-VIFPVBQESA-N -1 1 258.252 2.938 20 30 CFEDMM C#C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])[C@H](CC)CCCC ZINC001228142689 776408692 /nfs/dbraw/zinc/40/86/92/776408692.db2.gz GRPYIWDDZSCYAJ-GHMZBOCLSA-N -1 1 293.323 2.687 20 30 CFEDMM CCC[C@@H](C#Cc1ccccc1)Oc1cnnc(=S)[n-]1 ZINC001228636711 776547820 /nfs/dbraw/zinc/54/78/20/776547820.db2.gz QKCMGPAABYKXMP-ZDUSSCGKSA-N -1 1 285.372 2.760 20 30 CFEDMM C=CC(C=C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229216828 776753725 /nfs/dbraw/zinc/75/37/25/776753725.db2.gz VBUAPAOSIPIQDH-UHFFFAOYSA-N -1 1 274.272 2.627 20 30 CFEDMM CCC[C@@H](CC(=O)OC)Oc1ccccc1/C(C)=N/[O-] ZINC001229736460 776882585 /nfs/dbraw/zinc/88/25/85/776882585.db2.gz CTUYMAJZGIXPQD-JASJWYONSA-N -1 1 279.336 2.995 20 30 CFEDMM CCCCOC(=O)[C@@H](C)Oc1ccccc1/C(C)=N/[O-] ZINC001229737372 776883382 /nfs/dbraw/zinc/88/33/82/776883382.db2.gz WESBGKGTYZUZGA-PILJQMSFSA-N -1 1 279.336 2.995 20 30 CFEDMM C=C[C@@H](Oc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC001230282265 776972137 /nfs/dbraw/zinc/97/21/37/776972137.db2.gz SXYVAZWOAHGFFK-GFCCVEGCSA-N -1 1 258.277 2.502 20 30 CFEDMM C#C[C@H](C)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231045242 777120840 /nfs/dbraw/zinc/12/08/40/777120840.db2.gz UGDNFQNKXWKSAS-YFKPBYRVSA-N -1 1 256.092 2.665 20 30 CFEDMM C#C[C@H](C)Oc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231045242 777120844 /nfs/dbraw/zinc/12/08/44/777120844.db2.gz UGDNFQNKXWKSAS-YFKPBYRVSA-N -1 1 256.092 2.665 20 30 CFEDMM N#C[C@H]1CC[C@@H](Oc2cccnc2-c2ncccc2[O-])C1 ZINC001231199402 777170097 /nfs/dbraw/zinc/17/00/97/777170097.db2.gz CHAXDUHLHFJWRY-NWDGAFQWSA-N -1 1 281.315 2.920 20 30 CFEDMM C#CC[C@@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231200272 777170295 /nfs/dbraw/zinc/17/02/95/777170295.db2.gz LAZVXDZFSLWSEM-LLVKDONJSA-N -1 1 254.289 2.640 20 30 CFEDMM C[C@@H](CS)Oc1cccnc1-c1ncccc1[O-] ZINC001231204728 777171545 /nfs/dbraw/zinc/17/15/45/777171545.db2.gz SPXGNFWZZDYKPV-VIFPVBQESA-N -1 1 262.334 2.546 20 30 CFEDMM Cc1cnc2c(c1)CN(Cc1cc(C#N)ccc1[O-])CC2 ZINC001232677772 777638090 /nfs/dbraw/zinc/63/80/90/777638090.db2.gz JMSGAGHLFJPLRL-UHFFFAOYSA-N -1 1 279.343 2.526 20 30 CFEDMM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c([O-])c1F ZINC001232936622 777725351 /nfs/dbraw/zinc/72/53/51/777725351.db2.gz DVMBJLJTYQXFHK-WLLOZRIZSA-N -1 1 278.302 2.937 20 30 CFEDMM N#Cc1ccc(CN2CCc3nc(Cl)ccc3C2)c([O-])c1 ZINC001233386285 777926146 /nfs/dbraw/zinc/92/61/46/777926146.db2.gz NOLZLUNWIFIRAL-UHFFFAOYSA-N -1 1 299.761 2.871 20 30 CFEDMM N#Cc1ccc(CN2Cc3ccc(F)cc3C2)c([O-])c1 ZINC001233386268 777927951 /nfs/dbraw/zinc/92/79/51/777927951.db2.gz MRZISVLPGOHPID-UHFFFAOYSA-N -1 1 268.291 2.919 20 30 CFEDMM C#C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(O)c2Cl)C1 ZINC001233401018 777938402 /nfs/dbraw/zinc/93/84/02/777938402.db2.gz IVUBGIXUZURCDD-NSHDSACASA-N -1 1 279.767 2.899 20 30 CFEDMM COc1cc(/C=N/[O-])ccc1O[C@H]1CC(F)(F)C1(F)F ZINC001233806400 778083704 /nfs/dbraw/zinc/08/37/04/778083704.db2.gz CAGPXOWLTGFTOD-MJRCGYGRSA-N -1 1 293.216 2.925 20 30 CFEDMM CCC#C[C@H](C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234044495 778150985 /nfs/dbraw/zinc/15/09/85/778150985.db2.gz LTOOVQXBNMQHIH-JTQLQIEISA-N -1 1 272.304 2.530 20 30 CFEDMM C=CC[C@H](CCCC)Oc1c(C(=O)OC)nc(C)[n-]c1=O ZINC001234561368 778251759 /nfs/dbraw/zinc/25/17/59/778251759.db2.gz LUOHNZDYPVGNRO-LLVKDONJSA-N -1 1 294.351 2.791 20 30 CFEDMM Cc1cn2c(n1)[C@H](Oc1ccccc1C=N[O-])CCC2 ZINC001234820803 778301453 /nfs/dbraw/zinc/30/14/53/778301453.db2.gz YOIPFPFNOACYDT-CQSZACIVSA-N -1 1 271.320 2.914 20 30 CFEDMM COC(=O)C1CCC(Oc2ccccc2C=N[O-])CC1 ZINC001234823399 778303121 /nfs/dbraw/zinc/30/31/21/778303121.db2.gz UDPFMYKBDFZUGX-UHFFFAOYSA-N -1 1 277.320 2.605 20 30 CFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(Cl)o1 ZINC000127971673 778463230 /nfs/dbraw/zinc/46/32/30/778463230.db2.gz QPACZKNDEVFHBZ-SNVBAGLBSA-N -1 1 288.690 2.894 20 30 CFEDMM COc1ccnc(-c2cc([O-])cc(Cl)c2)c1C#N ZINC001235899255 779397597 /nfs/dbraw/zinc/39/75/97/779397597.db2.gz GCBORRRIMMDIRG-UHFFFAOYSA-N -1 1 260.680 2.988 20 30 CFEDMM N#Cc1cc2nc(-c3ccc([O-])c(F)c3)ccc2[nH]1 ZINC001240783914 780438296 /nfs/dbraw/zinc/43/82/96/780438296.db2.gz ZKSPROLXQYKQQN-UHFFFAOYSA-N -1 1 253.236 2.946 20 30 CFEDMM CO[C@@H](C)CO[C@@H](C)COc1ccccc1/C(C)=N/[O-] ZINC001229737945 780462709 /nfs/dbraw/zinc/46/27/09/780462709.db2.gz GCUZTARHTUPWEY-HPJJITKJSA-N -1 1 281.352 2.704 20 30 CFEDMM N#Cc1cnnc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242157155 781306923 /nfs/dbraw/zinc/30/69/23/781306923.db2.gz CPOJHLONPYCABZ-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM CCCOc1nccnc1-c1ccc([O-])c(C#N)c1 ZINC001242562478 781599752 /nfs/dbraw/zinc/59/97/52/781599752.db2.gz ANQVKIVPTGRTCS-UHFFFAOYSA-N -1 1 255.277 2.510 20 30 CFEDMM Cc1cnc(-c2ccc([O-])c(C#N)c2)nc1N1CCCC1 ZINC001242562070 781599827 /nfs/dbraw/zinc/59/98/27/781599827.db2.gz GIRSHAJIKFWMPG-UHFFFAOYSA-N -1 1 280.331 2.630 20 30 CFEDMM N#Cc1cc(-c2ccc(-c3ccco3)nn2)ccc1[O-] ZINC001242563100 781601420 /nfs/dbraw/zinc/60/14/20/781601420.db2.gz OZACYZYWVDOXDY-UHFFFAOYSA-N -1 1 263.256 2.981 20 30 CFEDMM N#Cc1cc(-c2ncccc2OC(F)F)ccc1[O-] ZINC001242562661 781601687 /nfs/dbraw/zinc/60/16/87/781601687.db2.gz GBYCQIJSBAHXMI-UHFFFAOYSA-N -1 1 262.215 2.927 20 30 CFEDMM N#Cc1cc(-c2ccc(OCC(F)(F)F)nn2)ccc1[O-] ZINC001242563508 781602388 /nfs/dbraw/zinc/60/23/88/781602388.db2.gz GBVWJTIMQKTACW-UHFFFAOYSA-N -1 1 295.220 2.662 20 30 CFEDMM N#Cc1cc(-c2ccnc(-c3nccs3)n2)ccc1[O-] ZINC001242563687 781602525 /nfs/dbraw/zinc/60/25/25/781602525.db2.gz IIIRHVZXEZUCNA-UHFFFAOYSA-N -1 1 280.312 2.844 20 30 CFEDMM N#Cc1cc(-c2ccc3nsnc3c2)ccc1[O-] ZINC001242564806 781603867 /nfs/dbraw/zinc/60/38/67/781603867.db2.gz VINLDQUXWZQGEU-UHFFFAOYSA-N -1 1 253.286 2.936 20 30 CFEDMM CON(C)C(=O)c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242565278 781604669 /nfs/dbraw/zinc/60/46/69/781604669.db2.gz VKOXYLAYFFAZLR-UHFFFAOYSA-N -1 1 282.299 2.564 20 30 CFEDMM N#Cc1cc(-c2cc(F)cc(N3CCOCC3)c2)ccc1[O-] ZINC001242565857 781605230 /nfs/dbraw/zinc/60/52/30/781605230.db2.gz VPUJYZWWZCVXBU-UHFFFAOYSA-N -1 1 298.317 2.907 20 30 CFEDMM N#Cc1cc(-c2ccn(C3CCC3)c(=O)c2)ccc1[O-] ZINC001242566807 781606726 /nfs/dbraw/zinc/60/67/26/781606726.db2.gz LIJTVUBDMPPBAK-UHFFFAOYSA-N -1 1 266.300 2.818 20 30 CFEDMM N#Cc1ccnc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242780618 781758447 /nfs/dbraw/zinc/75/84/47/781758447.db2.gz UIJWHYAWUFAKAQ-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM C=C[C@@H](CCCC)Oc1nc(C)[n-]c(=O)c1OC ZINC001230025061 781843002 /nfs/dbraw/zinc/84/30/02/781843002.db2.gz IBRWBRRXLBISQU-JTQLQIEISA-N -1 1 252.314 2.623 20 30 CFEDMM CN(CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000068423410 346852080 /nfs/dbraw/zinc/85/20/80/346852080.db2.gz CPGYBAGLXWXGGD-UHFFFAOYSA-N -1 1 299.256 2.548 20 30 CFEDMM N#Cc1[n-]c(=N[C@@H]2CCOC3(CCC3)C2)sc1Cl ZINC000596165785 349814625 /nfs/dbraw/zinc/81/46/25/349814625.db2.gz LWPKVZDLRPCRDL-MRVPVSSYSA-N -1 1 283.784 2.604 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)COC3)n1 ZINC000050204993 346490947 /nfs/dbraw/zinc/49/09/47/346490947.db2.gz WLFMTBZKQVHZRR-CYBMUJFWSA-N -1 1 284.340 2.972 20 30 CFEDMM COc1ccc(C(=O)N(C)c2cccc(C#N)c2)c([O-])c1 ZINC000059095661 346655111 /nfs/dbraw/zinc/65/51/11/346655111.db2.gz OOZFRRYHALHVLB-UHFFFAOYSA-N -1 1 282.299 2.549 20 30 CFEDMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(C#N)c1 ZINC000080034061 347338307 /nfs/dbraw/zinc/33/83/07/347338307.db2.gz ZDZHVKUOKHWMPG-SNVBAGLBSA-N -1 1 284.290 2.894 20 30 CFEDMM COc1ccc(NC(=O)c2sccc2C#N)c([O-])c1 ZINC000135424310 347906550 /nfs/dbraw/zinc/90/65/50/347906550.db2.gz BXZPCFVKBZYFQA-UHFFFAOYSA-N -1 1 274.301 2.586 20 30 CFEDMM C=C(C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435448449 348616053 /nfs/dbraw/zinc/61/60/53/348616053.db2.gz WFQCWARCLRGUON-UHFFFAOYSA-N -1 1 298.166 2.987 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC3(CCC3)CC2)cc1[O-] ZINC000588023072 348767554 /nfs/dbraw/zinc/76/75/54/348767554.db2.gz UWZAAAXGWJQGBN-UHFFFAOYSA-N -1 1 270.332 2.670 20 30 CFEDMM Cc1noc(C)c1C(C)(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000588091538 348771070 /nfs/dbraw/zinc/77/10/70/348771070.db2.gz LAFYQGNNWICGMG-UHFFFAOYSA-N -1 1 299.330 2.534 20 30 CFEDMM CNc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000586818388 348756573 /nfs/dbraw/zinc/75/65/73/348756573.db2.gz JFVXKGJZXCPXFM-UHFFFAOYSA-N -1 1 285.278 2.697 20 30 CFEDMM Cc1ccccc1CCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589158440 348814017 /nfs/dbraw/zinc/81/40/17/348814017.db2.gz SYHOGFGMPFNQKH-UHFFFAOYSA-N -1 1 280.327 2.545 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2ccccn2)c1 ZINC000589170198 348815430 /nfs/dbraw/zinc/81/54/30/348815430.db2.gz MXVADWWOLSOMLJ-MRXNPFEDSA-N -1 1 293.326 2.636 20 30 CFEDMM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H](C)C1 ZINC000589180611 348815820 /nfs/dbraw/zinc/81/58/20/348815820.db2.gz BTIXTMMCMJUDAT-ZETOZRRWSA-N -1 1 272.348 2.818 20 30 CFEDMM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589181240 348816969 /nfs/dbraw/zinc/81/69/69/348816969.db2.gz XSGDKAAKBMABGP-GTNSWQLSSA-N -1 1 292.338 2.927 20 30 CFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCCCC1 ZINC000589183822 348817108 /nfs/dbraw/zinc/81/71/08/348817108.db2.gz KLGNDPXHXCQCET-LLVKDONJSA-N -1 1 272.348 2.962 20 30 CFEDMM CC[C@H](C)C[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589186868 348817286 /nfs/dbraw/zinc/81/72/86/348817286.db2.gz LEABRPIQNSVBIZ-WDEREUQCSA-N -1 1 260.337 2.818 20 30 CFEDMM CCCCn1ncc(NC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000589192543 348818061 /nfs/dbraw/zinc/81/80/61/348818061.db2.gz IYSJCKPXYZCWNK-UHFFFAOYSA-N -1 1 298.346 2.821 20 30 CFEDMM Cc1cc(F)cc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589190857 348818116 /nfs/dbraw/zinc/81/81/16/348818116.db2.gz ISODIAOMUPRPCE-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM CCc1cnccc1[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589197103 348819135 /nfs/dbraw/zinc/81/91/35/348819135.db2.gz AYWQVLCNBFIGEZ-LLVKDONJSA-N -1 1 295.342 2.712 20 30 CFEDMM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589197225 348819163 /nfs/dbraw/zinc/81/91/63/348819163.db2.gz HKVPDAHFIISTFX-MFKMUULPSA-N -1 1 258.321 2.667 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2cccnc2)C2CC2)c1 ZINC000589196005 348819341 /nfs/dbraw/zinc/81/93/41/348819341.db2.gz AOYLUXKIWSVQLD-MRXNPFEDSA-N -1 1 293.326 2.540 20 30 CFEDMM C[C@@H]1CCCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589209306 348820081 /nfs/dbraw/zinc/82/00/81/348820081.db2.gz NQJDORLLAPLXMF-LLVKDONJSA-N -1 1 258.321 2.526 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000589651810 348850219 /nfs/dbraw/zinc/85/02/19/348850219.db2.gz QUXRJDOCAHPTIR-HNNXBMFYSA-N -1 1 282.343 2.669 20 30 CFEDMM CCC1(NC(=O)c2cc([O-])cc(C#N)c2)CCCC1 ZINC000590776562 348947239 /nfs/dbraw/zinc/94/72/39/348947239.db2.gz FCRPSRFEZXFRIN-UHFFFAOYSA-N -1 1 258.321 2.716 20 30 CFEDMM C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)CC(F)(F)F ZINC000591096274 348987718 /nfs/dbraw/zinc/98/77/18/348987718.db2.gz RWMOPDROIAYGTF-MRVPVSSYSA-N -1 1 286.253 2.582 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000590874318 348960407 /nfs/dbraw/zinc/96/04/07/348960407.db2.gz MFCRBEFXVGBQJS-HZPDHXFCSA-N -1 1 282.343 2.524 20 30 CFEDMM O=C(/C=C\c1ccc(O)cc1)c1cc(O)ccc1[O-] ZINC000090713101 180028542 /nfs/dbraw/zinc/02/85/42/180028542.db2.gz NMANELLSWUVZNL-CLTKARDFSA-N -1 1 256.257 2.700 20 30 in-vitro CFEDMM CC(C)(C)C(F)(F)CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000598466098 350272966 /nfs/dbraw/zinc/27/29/66/350272966.db2.gz XAKPMMZGHWGMHN-UHFFFAOYSA-N -1 1 282.290 2.675 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC(Cc3cccs3)C2)cc1[O-] ZINC000600760724 350607049 /nfs/dbraw/zinc/60/70/49/350607049.db2.gz LOTJJXJODXWNIT-UHFFFAOYSA-N -1 1 298.367 2.640 20 30 CFEDMM CC(C)N(CCC#N)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601026526 350647243 /nfs/dbraw/zinc/64/72/43/350647243.db2.gz MEDXUBXPQYBVRE-UHFFFAOYSA-N -1 1 280.755 2.739 20 30 CFEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000613510028 351973075 /nfs/dbraw/zinc/97/30/75/351973075.db2.gz APQMLIXFJMAVJO-BMIGLBTASA-N -1 1 276.311 2.734 20 30 CFEDMM N#C[C@H](NC(=O)c1ccc([O-])c(F)c1)C1CCCCC1 ZINC000613512258 351973621 /nfs/dbraw/zinc/97/36/21/351973621.db2.gz AXLNNYHSEINBIO-ZDUSSCGKSA-N -1 1 276.311 2.734 20 30 CFEDMM COc1cc(F)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614295542 352077030 /nfs/dbraw/zinc/07/70/30/352077030.db2.gz WORIHHCOAOJEKD-UHFFFAOYSA-N -1 1 286.262 2.664 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC000614297929 352077039 /nfs/dbraw/zinc/07/70/39/352077039.db2.gz GQPFEXIEGTYVML-MRXNPFEDSA-N -1 1 296.301 2.820 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2F)c1 ZINC000614357214 352084075 /nfs/dbraw/zinc/08/40/75/352084075.db2.gz KRXAVKNRHKEDEK-UHFFFAOYSA-N -1 1 256.236 2.655 20 30 CFEDMM CCCN(CC1CC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614357067 352084478 /nfs/dbraw/zinc/08/44/78/352084478.db2.gz WAULPIWLZDRNCJ-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM CCSCC[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614370556 352086253 /nfs/dbraw/zinc/08/62/53/352086253.db2.gz BWQFUWANZWYLHW-SNVBAGLBSA-N -1 1 278.377 2.525 20 30 CFEDMM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000617042528 352477693 /nfs/dbraw/zinc/47/76/93/352477693.db2.gz SKAHQWRFSBMXMU-FZMZJTMJSA-N -1 1 260.337 2.652 20 30 CFEDMM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000617803109 352648110 /nfs/dbraw/zinc/64/81/10/352648110.db2.gz LNNPXCZQUIMIFZ-LLVKDONJSA-N -1 1 270.332 2.669 20 30 CFEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1c([O-])cccc1F ZINC000618891855 352906199 /nfs/dbraw/zinc/90/61/99/352906199.db2.gz FSBXRIMBKQLNCT-AWEZNQCLSA-N -1 1 296.301 2.820 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCc3ccccc3C2)c1 ZINC000619450361 353025486 /nfs/dbraw/zinc/02/54/86/353025486.db2.gz QMSZUBFTYRSQHO-UHFFFAOYSA-N -1 1 292.338 2.852 20 30 CFEDMM CCN(CC1CCC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000619457148 353026573 /nfs/dbraw/zinc/02/65/73/353026573.db2.gz XGSAQDSQWBCEMU-UHFFFAOYSA-N -1 1 258.321 2.526 20 30 CFEDMM C=CCCC(C)(C)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000620858185 353241692 /nfs/dbraw/zinc/24/16/92/353241692.db2.gz ZMLJPFDCYHMOSV-UHFFFAOYSA-N -1 1 279.409 2.614 20 30 CFEDMM CCn1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)n1 ZINC000626283980 354244297 /nfs/dbraw/zinc/24/42/97/354244297.db2.gz YWYIZJMPFJPGKN-NSHDSACASA-N -1 1 293.330 2.578 20 30 CFEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632302163 355684923 /nfs/dbraw/zinc/68/49/23/355684923.db2.gz ZSUTWVQJEQHCFZ-QMMMGPOBSA-N -1 1 279.308 2.850 20 30 CFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427115126 239285818 /nfs/dbraw/zinc/28/58/18/239285818.db2.gz QQWJUAACUBLTRE-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443274627 241050089 /nfs/dbraw/zinc/05/00/89/241050089.db2.gz OBYXBTZVGWOXSZ-GHMZBOCLSA-N -1 1 260.337 2.818 20 30 CFEDMM N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1nc2ccccc2[nH]1 ZINC000041494473 372844374 /nfs/dbraw/zinc/84/43/74/372844374.db2.gz UPFZUDVRSUHGQC-SNVBAGLBSA-N -1 1 291.314 2.653 20 30 CFEDMM CC(C)CCO[C@@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000049288486 373283706 /nfs/dbraw/zinc/28/37/06/373283706.db2.gz UHLSRTNRQNWNJD-ZETCQYMHSA-N -1 1 294.277 2.863 20 30 CFEDMM CC[C@H](CC#N)NC(=O)c1ccc2ccccc2c1[O-] ZINC000054177167 373501612 /nfs/dbraw/zinc/50/16/12/373501612.db2.gz LMZIGEDRKAHLEZ-GFCCVEGCSA-N -1 1 268.316 2.967 20 30 CFEDMM CN(C(=O)c1ccccc1[O-])c1cccc(C#N)c1 ZINC000059095550 373677170 /nfs/dbraw/zinc/67/71/70/373677170.db2.gz QTHXIABLWPSIPZ-UHFFFAOYSA-N -1 1 252.273 2.540 20 30 CFEDMM C[C@H](CC#N)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000063094256 373783587 /nfs/dbraw/zinc/78/35/87/373783587.db2.gz GFIUZJOFTGPIGJ-LLVKDONJSA-N -1 1 268.316 2.920 20 30 CFEDMM C[C@@H]1CC(C(=O)Nc2n[n-]c(C(F)(F)F)n2)C[C@@H](C)O1 ZINC000094036987 375336651 /nfs/dbraw/zinc/33/66/51/375336651.db2.gz JCYVTIBFRASTGV-PHDIDXHHSA-N -1 1 292.261 2.615 20 30 CFEDMM Cc1cccc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000335883817 380049147 /nfs/dbraw/zinc/04/91/47/380049147.db2.gz MDARXPAABKNBJZ-UHFFFAOYSA-N -1 1 280.327 2.845 20 30 CFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C(C)(C)C1 ZINC000336529705 380420242 /nfs/dbraw/zinc/42/02/42/380420242.db2.gz GPYIWCMSQJMLBN-JTQLQIEISA-N -1 1 258.321 2.524 20 30 CFEDMM N#Cc1csc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000179148276 380514247 /nfs/dbraw/zinc/51/42/47/380514247.db2.gz UGKPVLHAPULELQ-UHFFFAOYSA-N -1 1 262.265 2.717 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3nccnc3c2)n1 ZINC000354216397 381146447 /nfs/dbraw/zinc/14/64/47/381146447.db2.gz DHIHFSZOOZTMOR-LLVKDONJSA-N -1 1 294.339 2.885 20 30 CFEDMM C=CCCCS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000293114596 381994303 /nfs/dbraw/zinc/99/43/03/381994303.db2.gz XOFVXOCWZZJAKA-LBPRGKRZSA-N -1 1 289.347 2.878 20 30 CFEDMM CC(=O)c1[n-]c(=NCc2ccc(C#N)s2)sc1C ZINC000420655643 382446760 /nfs/dbraw/zinc/44/67/60/382446760.db2.gz SEGRTSURTBJVFI-UHFFFAOYSA-N -1 1 277.374 2.621 20 30 CFEDMM N#Cc1ccc(C(=O)NCc2ccccc2Cl)cc1[O-] ZINC000189775476 382640444 /nfs/dbraw/zinc/64/04/44/382640444.db2.gz YZOSXTCOFJIUIP-UHFFFAOYSA-N -1 1 286.718 2.847 20 30 CFEDMM CCC1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000190141009 382654690 /nfs/dbraw/zinc/65/46/90/382654690.db2.gz UZBKJIIPIJVGRJ-UHFFFAOYSA-N -1 1 272.348 2.962 20 30 CFEDMM N#Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1[O-] ZINC000189748008 382638986 /nfs/dbraw/zinc/63/89/86/382638986.db2.gz NAHIIQOLNFAZFN-UHFFFAOYSA-N -1 1 286.718 2.847 20 30 CFEDMM Cc1noc(C)c1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000193791781 382725328 /nfs/dbraw/zinc/72/53/28/382725328.db2.gz ORJDHQPIPYBNBS-MLPAPPSSSA-N -1 1 257.245 2.613 20 30 CFEDMM C=CCCC[C@@H](C)N=c1nc([C@H](C)OC)[n-]s1 ZINC000337878621 382872742 /nfs/dbraw/zinc/87/27/42/382872742.db2.gz SJWZSVTWUJXVHC-ZJUUUORDSA-N -1 1 255.387 2.824 20 30 CFEDMM C=C(C)Cn1[n-]c(-c2cccc(OC)c2)c(CC)c1=O ZINC000634604130 383267203 /nfs/dbraw/zinc/26/72/03/383267203.db2.gz VVYUOKZEFLMDHR-CQSZACIVSA-N -1 1 272.348 2.844 20 30 CFEDMM C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000424816268 383270091 /nfs/dbraw/zinc/27/00/91/383270091.db2.gz AGILMWKMBKMAGB-UHFFFAOYSA-N -1 1 277.320 2.720 20 30 CFEDMM N#C[C@H]1CSCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000271778081 385391625 /nfs/dbraw/zinc/39/16/25/385391625.db2.gz YTEDXQDHQOLRTH-LBPRGKRZSA-N -1 1 298.367 2.627 20 30 CFEDMM N#C[C@@H]1CSCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000271778078 385391683 /nfs/dbraw/zinc/39/16/83/385391683.db2.gz YTEDXQDHQOLRTH-GFCCVEGCSA-N -1 1 298.367 2.627 20 30 CFEDMM C#CCC(C)(C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000289015496 197214412 /nfs/dbraw/zinc/21/44/12/197214412.db2.gz IFNGTJDMEMSWKD-UHFFFAOYSA-N -1 1 260.268 2.882 20 30 CFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000179027126 393450830 /nfs/dbraw/zinc/45/08/30/393450830.db2.gz SOKOEYZTKWVPCZ-UHFFFAOYSA-N -1 1 290.319 2.807 20 30 CFEDMM C=CCCN(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000303826242 393496899 /nfs/dbraw/zinc/49/68/99/393496899.db2.gz OAARRSODNNEKQJ-UHFFFAOYSA-N -1 1 284.153 2.803 20 30 CFEDMM CC[C@@H](CC#N)NC(=O)c1ccc(Br)c([O-])c1 ZINC000183812372 393522613 /nfs/dbraw/zinc/52/26/13/393522613.db2.gz LWWOMAQYXIQPTL-VIFPVBQESA-N -1 1 297.152 2.577 20 30 CFEDMM N#CCc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000334289525 393590364 /nfs/dbraw/zinc/59/03/64/393590364.db2.gz JZXICBMZZZJNCR-UHFFFAOYSA-N -1 1 270.263 2.850 20 30 CFEDMM CN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000081937808 393737914 /nfs/dbraw/zinc/73/79/14/393737914.db2.gz XPHSUNARKOKHEL-UHFFFAOYSA-N -1 1 284.290 2.675 20 30 CFEDMM C[C@@H](CCC#N)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000412998059 393777380 /nfs/dbraw/zinc/77/73/80/393777380.db2.gz WUZRQHFPZQGGMV-LURJTMIESA-N -1 1 277.271 2.985 20 30 CFEDMM Cc1cnc(C(=O)N[C@H](CCC#N)c2ccccc2)c([O-])c1 ZINC000427629427 393895321 /nfs/dbraw/zinc/89/53/21/393895321.db2.gz MPXLTFTUEIJIJE-CQSZACIVSA-N -1 1 295.342 2.871 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000416937073 393946155 /nfs/dbraw/zinc/94/61/55/393946155.db2.gz IPVYEYDICMESOE-AWEZNQCLSA-N -1 1 296.392 2.655 20 30 CFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)[C@@H](C#N)CC)c1 ZINC000416946832 393946830 /nfs/dbraw/zinc/94/68/30/393946830.db2.gz XSEVKMZJAVIGBV-CQSZACIVSA-N -1 1 294.376 2.685 20 30 CFEDMM C#C[C@H](CC)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000491680254 394055583 /nfs/dbraw/zinc/05/55/83/394055583.db2.gz IDKUQXHHVSKKGY-SNVBAGLBSA-N -1 1 281.739 2.586 20 30 CFEDMM C=CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000150997999 394257949 /nfs/dbraw/zinc/25/79/49/394257949.db2.gz MJZZYTWJLIGLFA-UHFFFAOYSA-N -1 1 299.701 2.823 20 30 CFEDMM COc1cc(C(=O)N(C)C2(C#N)CCC2)cc(Cl)c1[O-] ZINC000153657022 394288207 /nfs/dbraw/zinc/28/82/07/394288207.db2.gz CIWUOKPZCXAJNF-UHFFFAOYSA-N -1 1 294.738 2.572 20 30 CFEDMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000526943458 394384557 /nfs/dbraw/zinc/38/45/57/394384557.db2.gz PZMRAFBDCPECLW-YGRLFVJLSA-N -1 1 296.326 2.910 20 30 CFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C(C1CC1)C1CC1 ZINC000188399056 397610479 /nfs/dbraw/zinc/61/04/79/397610479.db2.gz WVMREBVCXIALAX-UHFFFAOYSA-N -1 1 270.332 2.524 20 30 CFEDMM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000356627950 155321603 /nfs/dbraw/zinc/32/16/03/155321603.db2.gz XHCJVZODHDJQRV-QFYYESIMSA-N -1 1 294.310 2.516 20 30 CFEDMM Cc1ccc2c(c1)CCN(C(=O)c1ccc(C#N)c([O-])c1)C2 ZINC000360228556 156060806 /nfs/dbraw/zinc/06/08/06/156060806.db2.gz UQAGDUMMEVYNKJ-UHFFFAOYSA-N -1 1 292.338 2.771 20 30 CFEDMM C[C@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344551004 162064539 /nfs/dbraw/zinc/06/45/39/162064539.db2.gz CWAIBHDXLJUBBO-NWDGAFQWSA-N -1 1 296.392 2.646 20 30 CFEDMM COC(=O)c1ccc(C(=O)[N-]c2scc(C)c2C#N)o1 ZINC000344928379 162149530 /nfs/dbraw/zinc/14/95/30/162149530.db2.gz MTAMOUUAXZNJAA-UHFFFAOYSA-N -1 1 290.300 2.560 20 30 CFEDMM CCc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000007050669 170264719 /nfs/dbraw/zinc/26/47/19/170264719.db2.gz PUHRBHZQHCCVOH-UHFFFAOYSA-N -1 1 286.356 2.921 20 30 CFEDMM C=CCCS(=O)(=O)[N-]c1cccc(F)c1SC ZINC000656634160 414619208 /nfs/dbraw/zinc/61/92/08/414619208.db2.gz VSBKMMYRMQOMEH-UHFFFAOYSA-N -1 1 275.370 2.865 20 30 CFEDMM C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(C(=O)[O-])cs1 ZINC000659801607 414560823 /nfs/dbraw/zinc/56/08/23/414560823.db2.gz HSXLQOCWKIDMFB-AOOOYVTPSA-N -1 1 264.350 2.524 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3oc(=O)[nH]c3c2)n1 ZINC000347526914 226197668 /nfs/dbraw/zinc/19/76/68/226197668.db2.gz UIYWOWAAWSLPRU-SECBINFHSA-N -1 1 299.311 2.788 20 30 CFEDMM N#C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000079844002 260177364 /nfs/dbraw/zinc/17/73/64/260177364.db2.gz UQLHTPGTBCCDFS-CQSZACIVSA-N -1 1 266.300 2.577 20 30 CFEDMM CC[C@H](CC#N)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000184091410 262007795 /nfs/dbraw/zinc/00/77/95/262007795.db2.gz ZKXWQFOBOIYADL-SNVBAGLBSA-N -1 1 283.715 2.736 20 30 CFEDMM CCOc1cc(C(=O)N(C)[C@@H](C)CC#N)cc(Cl)c1[O-] ZINC000186781119 262110090 /nfs/dbraw/zinc/11/00/90/262110090.db2.gz ALJVGCATZNIQBD-VIFPVBQESA-N -1 1 296.754 2.818 20 30 CFEDMM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188276294 262288395 /nfs/dbraw/zinc/28/83/95/262288395.db2.gz HLOSERXQWUMODJ-FZMZJTMJSA-N -1 1 272.348 2.915 20 30 CFEDMM CC(C)(C#N)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000277850213 263044069 /nfs/dbraw/zinc/04/40/69/263044069.db2.gz AODHNZCOTSRWAE-UHFFFAOYSA-N -1 1 263.684 2.897 20 30 CFEDMM CCCCCCCS(=O)(=O)[N-]c1cc(C#N)ccn1 ZINC000281912891 263072821 /nfs/dbraw/zinc/07/28/21/263072821.db2.gz IVNWZGHFFVLJFT-UHFFFAOYSA-N -1 1 281.381 2.665 20 30 CFEDMM N#CC1CCC(CNC(=O)c2cc(F)ccc2[O-])CC1 ZINC000282311530 263075645 /nfs/dbraw/zinc/07/56/45/263075645.db2.gz NBNNWMLWVXBXLS-UHFFFAOYSA-N -1 1 276.311 2.591 20 30 CFEDMM N#C[C@H]1CC[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000295478429 263178016 /nfs/dbraw/zinc/17/80/16/263178016.db2.gz YMOGZAVXCXDVLU-BQBZGAKWSA-N -1 1 271.292 2.904 20 30 CFEDMM N#CC[C@@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000295628959 263180497 /nfs/dbraw/zinc/18/04/97/263180497.db2.gz WXMGHTRRCQOKQW-ONGXEEELSA-N -1 1 278.739 2.858 20 30 CFEDMM COc1cc(C(=O)N[C@@H]2CC[C@H](OC)C2)cc(Cl)c1[O-] ZINC000331227918 264151539 /nfs/dbraw/zinc/15/15/39/264151539.db2.gz GCDPIMHHQXTUAI-ZJUUUORDSA-N -1 1 299.754 2.926 20 30 CFEDMM CCC1(NC(=O)c2ccc(C#N)c([O-])c2)CCOCC1 ZINC000331265559 264185305 /nfs/dbraw/zinc/18/53/05/264185305.db2.gz HBZVUMPJLLWHOT-UHFFFAOYSA-N -1 1 274.320 2.528 20 30 CFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCCCC1 ZINC000188528071 264211072 /nfs/dbraw/zinc/21/10/72/264211072.db2.gz AGEXQUFHZDIGFG-NSHDSACASA-N -1 1 272.348 2.962 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1[O-] ZINC000519712320 268202380 /nfs/dbraw/zinc/20/23/80/268202380.db2.gz UPXKXDCVDJJPSA-SWLSCSKDSA-N -1 1 284.359 2.962 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1[O-] ZINC000526941513 270487325 /nfs/dbraw/zinc/48/73/25/270487325.db2.gz NYVOZCKGLKGBDY-OAHLLOKOSA-N -1 1 293.326 2.636 20 30 CFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000076935481 280521875 /nfs/dbraw/zinc/52/18/75/280521875.db2.gz KQKVFADNSNGCPW-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1[O-] ZINC000555946604 281924323 /nfs/dbraw/zinc/92/43/23/281924323.db2.gz GKJZSMFPUMKUKY-CQSZACIVSA-N -1 1 281.315 2.569 20 30 CFEDMM CC(=Cc1cc(F)ccc1F)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000562461889 290044926 /nfs/dbraw/zinc/04/49/26/290044926.db2.gz PHQZTUZYIJGOIW-VMPITWQZSA-N -1 1 287.269 2.789 20 30 CFEDMM N#Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)cc1[O-] ZINC000565820423 290327334 /nfs/dbraw/zinc/32/73/34/290327334.db2.gz CDFWJZJCWBYHNO-HUUCEWRRSA-N -1 1 284.359 2.820 20 30 CFEDMM CC(C)(C)n1cc(/C=C/C(=O)c2ccc([O-])cc2)nn1 ZINC000191204393 327872367 /nfs/dbraw/zinc/87/23/67/327872367.db2.gz ZJHAGJMDTFHQNP-RMKNXTFCSA-N -1 1 271.320 2.635 20 30 CFEDMM C=CCOCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000355956922 327962109 /nfs/dbraw/zinc/96/21/09/327962109.db2.gz YEOLHACWKSMDHQ-UHFFFAOYSA-N -1 1 266.366 2.744 20 30 CFEDMM CCOc1cc(C(=O)N(C)C[C@H](C)C#N)cc(Cl)c1[O-] ZINC000273977633 328207579 /nfs/dbraw/zinc/20/75/79/328207579.db2.gz TVXVNKVIARNBHY-SECBINFHSA-N -1 1 296.754 2.676 20 30 CFEDMM CCCc1cc(=O)[n-]c(S[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000278622062 328228628 /nfs/dbraw/zinc/22/86/28/328228628.db2.gz SPYZJDYWCYPFMD-MWLCHTKSSA-N -1 1 263.366 2.919 20 30 CFEDMM CC(F)(F)C(=O)[N-][C@H](C#N)c1ccc(Cl)cc1 ZINC000293329548 328275414 /nfs/dbraw/zinc/27/54/14/328275414.db2.gz IFWSWIBPIYIGIU-SECBINFHSA-N -1 1 258.655 2.676 20 30 CFEDMM CN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188207624 324010242 /nfs/dbraw/zinc/01/02/42/324010242.db2.gz PXVDYXYCAWWARA-UHFFFAOYSA-N -1 1 266.300 2.536 20 30 CFEDMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188266840 324012195 /nfs/dbraw/zinc/01/21/95/324012195.db2.gz IJGMXBHNKQGMRK-SMDDNHRTSA-N -1 1 272.348 2.915 20 30 CFEDMM CC(C)C1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188567411 324017630 /nfs/dbraw/zinc/01/76/30/324017630.db2.gz SOXRTPXJGUNLFV-UHFFFAOYSA-N -1 1 272.348 2.772 20 30 CFEDMM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000574532668 327344352 /nfs/dbraw/zinc/34/43/52/327344352.db2.gz ZKFDTLBDFFGBNB-CYBMUJFWSA-N -1 1 297.362 2.669 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1csc([N+](=O)[O-])c1 ZINC000048579095 329627431 /nfs/dbraw/zinc/62/74/31/329627431.db2.gz IFIWDLSSDKPCCX-QDEBKDIKSA-N -1 1 289.268 2.978 20 30 CFEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000437522178 330702107 /nfs/dbraw/zinc/70/21/07/330702107.db2.gz WRCBFZHUGBUHNV-QMTHXVAHSA-N -1 1 295.766 2.757 20 30 CFEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000451808972 331043199 /nfs/dbraw/zinc/04/31/99/331043199.db2.gz IBQSZUCBWQMFJK-UHFFFAOYSA-N -1 1 291.775 2.970 20 30 CFEDMM C=CCOCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456783915 331203672 /nfs/dbraw/zinc/20/36/72/331203672.db2.gz LYXSHYFCVVZUMV-UHFFFAOYSA-N -1 1 271.263 2.592 20 30 CFEDMM C#CCN(C(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000491631453 332254006 /nfs/dbraw/zinc/25/40/06/332254006.db2.gz OGEOYGLWNCSKNO-UHFFFAOYSA-N -1 1 265.312 2.783 20 30 CFEDMM C#C[C@H](CC)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000491673220 332279651 /nfs/dbraw/zinc/27/96/51/332279651.db2.gz IGOFCTQEGJGURX-MRVPVSSYSA-N -1 1 273.229 2.585 20 30 CFEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000133586704 334046545 /nfs/dbraw/zinc/04/65/45/334046545.db2.gz ADCMIVBVKPYELQ-QMMMGPOBSA-N -1 1 297.152 2.529 20 30 CFEDMM N#CC(=C([O-])c1ccccc1OC1CC1)c1ccncn1 ZINC000577271901 335332771 /nfs/dbraw/zinc/33/27/71/335332771.db2.gz GOVHFDXJGZZNLW-ZDUSSCGKSA-N -1 1 279.299 2.508 20 30 CFEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)C1CC(C)(C)C1 ZINC000334822366 520077158 /nfs/dbraw/zinc/07/71/58/520077158.db2.gz GPKXMHVCWOYHBR-UHFFFAOYSA-N -1 1 272.348 2.915 20 30 CFEDMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000336447618 523568043 /nfs/dbraw/zinc/56/80/43/523568043.db2.gz RKSJCICSVZEALJ-GXFFZTMASA-N -1 1 258.321 2.524 20 30 CFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000235910567 525299884 /nfs/dbraw/zinc/29/98/84/525299884.db2.gz CZZZOLYADOGPAC-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM N#Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccn1 ZINC000193635220 526544776 /nfs/dbraw/zinc/54/47/76/526544776.db2.gz PFSPJUXXDLSNEW-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1[O-] ZINC000336153129 526600751 /nfs/dbraw/zinc/60/07/51/526600751.db2.gz MFFISRXDPBCKTD-GJZGRUSLSA-N -1 1 278.311 2.550 20 30 CFEDMM N#Cc1ccc(F)c(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000050510666 526638894 /nfs/dbraw/zinc/63/88/94/526638894.db2.gz WFDYUBFMUZOAFO-OAHLLOKOSA-N -1 1 284.290 2.613 20 30 CFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000307960402 526665207 /nfs/dbraw/zinc/66/52/07/526665207.db2.gz KJENAEINAUAYAE-UHFFFAOYSA-N -1 1 294.282 2.637 20 30 CFEDMM N#Cc1cscc1C(=O)Nc1cccc([O-])c1F ZINC000336334126 526784297 /nfs/dbraw/zinc/78/42/97/526784297.db2.gz WRCHSKYUCJNZPV-UHFFFAOYSA-N -1 1 262.265 2.717 20 30 CFEDMM [O-]c1ccc(C=NOCc2cccnc2)cc1Cl ZINC000746588095 574052326 /nfs/dbraw/zinc/05/23/26/574052326.db2.gz XXKAGBLGRGLHFC-UHFFFAOYSA-N -1 1 262.696 2.991 20 30 CFEDMM CCc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)s1 ZINC000744517045 574079071 /nfs/dbraw/zinc/07/90/71/574079071.db2.gz YAXJTBPMWLZUOS-UHFFFAOYSA-N -1 1 276.365 2.951 20 30 CFEDMM C#CCOc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000730978811 574106469 /nfs/dbraw/zinc/10/64/69/574106469.db2.gz CMNPEFVCNNQBEN-UHFFFAOYSA-N -1 1 267.284 2.657 20 30 CFEDMM CN(Cc1ccc(F)cc1C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000737472368 574144310 /nfs/dbraw/zinc/14/43/10/574144310.db2.gz OWOUYTLSDGFHKT-INIZCTEOSA-N -1 1 298.317 2.955 20 30 CFEDMM C=C(Br)CN(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000737495128 574144748 /nfs/dbraw/zinc/14/47/48/574144748.db2.gz GOSAYJAKOMCISY-LBPRGKRZSA-N -1 1 298.180 2.523 20 30 CFEDMM [O-]c1c(F)cccc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000755490355 574165410 /nfs/dbraw/zinc/16/54/10/574165410.db2.gz NVWYWOMBIMZYGS-UHFFFAOYSA-N -1 1 270.267 2.854 20 30 CFEDMM CCCCC1N=NC(=S)N1N=Cc1cccc(F)c1[O-] ZINC000755510408 574166244 /nfs/dbraw/zinc/16/62/44/574166244.db2.gz GVLYHASDXQTGCR-UHFFFAOYSA-N -1 1 294.355 2.636 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2c[nH]c3ccc(F)cc23)n1 ZINC000747043827 574176776 /nfs/dbraw/zinc/17/67/76/574176776.db2.gz MPWNOWDLTQSNOF-UHFFFAOYSA-N -1 1 285.282 2.557 20 30 CFEDMM [O-]c1c(F)cccc1C=NNCCCOc1ccccc1 ZINC000755695717 574178662 /nfs/dbraw/zinc/17/86/62/574178662.db2.gz DAACKURRWFHXKR-UHFFFAOYSA-N -1 1 288.322 2.924 20 30 CFEDMM [O-]c1c(F)cccc1C=NNc1cnnc2ccccc21 ZINC000755733547 574182737 /nfs/dbraw/zinc/18/27/37/574182737.db2.gz HXRKADMHLYTPJF-UHFFFAOYSA-N -1 1 282.278 2.921 20 30 CFEDMM O=C([O-])c1ccc(N=NCc2c[nH]c3ncccc23)cc1 ZINC000741759554 574244711 /nfs/dbraw/zinc/24/47/11/574244711.db2.gz LITPKAXLDOIKGP-UHFFFAOYSA-N -1 1 280.287 2.707 20 30 CFEDMM CC(C)(C)[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000755377062 574248582 /nfs/dbraw/zinc/24/85/82/574248582.db2.gz SFUMIAMEIOUQEH-LLVKDONJSA-N -1 1 284.281 2.972 20 30 CFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cnc3ccccn13)O2 ZINC000740764755 574266518 /nfs/dbraw/zinc/26/65/18/574266518.db2.gz DUYMKQIGCDDWQP-VGOFMYFVSA-N -1 1 292.294 2.965 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccncc1 ZINC000756898845 574271308 /nfs/dbraw/zinc/27/13/08/574271308.db2.gz DJXXMIWQHNBRAZ-UHFFFAOYSA-N -1 1 285.303 2.625 20 30 CFEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCC(=O)[O-] ZINC000821320785 601429525 /nfs/dbraw/zinc/42/95/25/601429525.db2.gz YNUXDPVYVOLMNW-GJZGRUSLSA-N -1 1 272.348 2.623 20 30 CFEDMM CCCN(CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000829464934 601447001 /nfs/dbraw/zinc/44/70/01/601447001.db2.gz VNNQTXXNMQYZJX-UHFFFAOYSA-N -1 1 299.292 2.854 20 30 CFEDMM CC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000818261359 601498745 /nfs/dbraw/zinc/49/87/45/601498745.db2.gz HYHSAAMPJNMPRL-SVOHMGGZSA-N -1 1 276.119 2.981 20 30 CFEDMM Cc1ccnc(NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000794918578 602076316 /nfs/dbraw/zinc/07/63/16/602076316.db2.gz JJEBOUBQWGPWSF-GFCCVEGCSA-N -1 1 299.330 2.688 20 30 CFEDMM C=C(CC)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833369950 605014483 /nfs/dbraw/zinc/01/44/83/605014483.db2.gz HPDACGNRJSUVAO-UHFFFAOYSA-N -1 1 283.755 2.898 20 30 CFEDMM C=C(CC)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833369950 605014487 /nfs/dbraw/zinc/01/44/87/605014487.db2.gz HPDACGNRJSUVAO-UHFFFAOYSA-N -1 1 283.755 2.898 20 30 CFEDMM C=CC[C@@H](NCc1ccoc1C(=O)[O-])c1ccncc1 ZINC000833369915 605095872 /nfs/dbraw/zinc/09/58/72/605095872.db2.gz HFDHMQAJGCVBGJ-CYBMUJFWSA-N -1 1 272.304 2.780 20 30 CFEDMM C#CC[C@H](NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000833360810 605134161 /nfs/dbraw/zinc/13/41/61/605134161.db2.gz OWHXYCSCRNCNKY-AWEZNQCLSA-N -1 1 269.300 2.832 20 30 CFEDMM C=CCN(Cc1cc(C(=O)[O-])ccc1F)C(C)C ZINC000394981423 605828899 /nfs/dbraw/zinc/82/88/99/605828899.db2.gz IAWGUFCTAJJRPR-UHFFFAOYSA-N -1 1 251.301 2.920 20 30 CFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC000822929651 606388009 /nfs/dbraw/zinc/38/80/09/606388009.db2.gz WHHKJVGOXCUUOQ-HYXAFXHYSA-N -1 1 288.357 2.886 20 30 CFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(O)c1 ZINC000822922933 606389594 /nfs/dbraw/zinc/38/95/94/606389594.db2.gz LEEXDMDWLDTWSJ-GQCTYLIASA-N -1 1 298.327 2.530 20 30 CFEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-]C1(C#N)CCCC1 ZINC000900585176 620694969 /nfs/dbraw/zinc/69/49/69/620694969.db2.gz XERPNXGJQRSHND-UHFFFAOYSA-N -1 1 289.285 2.603 20 30 CFEDMM CCCCCCCN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000825271395 607886841 /nfs/dbraw/zinc/88/68/41/607886841.db2.gz IYGHYLSDGQQXEB-UHFFFAOYSA-N -1 1 277.332 2.531 20 30 CFEDMM C=CCCCN(CC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000890812274 617910427 /nfs/dbraw/zinc/91/04/27/617910427.db2.gz IDFGUIYDPIZLAS-UHFFFAOYSA-N -1 1 258.321 2.692 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C)c(C)c2)c(=O)o1 ZINC000255060976 617938318 /nfs/dbraw/zinc/93/83/18/617938318.db2.gz PLZWLOXSDUGCBG-WLMCBFPDSA-N -1 1 284.311 2.532 20 30 CFEDMM CCn1cc(C(=O)/C=C\c2ccc([O-])c(F)c2)cn1 ZINC000255061666 617938744 /nfs/dbraw/zinc/93/87/44/617938744.db2.gz VWXBQJXGQOGETI-HYXAFXHYSA-N -1 1 260.268 2.644 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2cnn3ccccc23)c1 ZINC000255565320 618124713 /nfs/dbraw/zinc/12/47/13/618124713.db2.gz CTJPXPDPMWVGPY-ALCCZGGFSA-N -1 1 294.310 2.945 20 30 CFEDMM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000901312033 620783116 /nfs/dbraw/zinc/78/31/16/620783116.db2.gz ZEEBCXBTMFTPJC-DDFAGTSDSA-N -1 1 280.343 2.801 20 30 CFEDMM O=C(/C=C/c1cccc2c1OCCO2)c1cc(O)ccc1[O-] ZINC000176955286 618246796 /nfs/dbraw/zinc/24/67/96/618246796.db2.gz NNLDJCHFPOPIOB-GQCTYLIASA-N -1 1 298.294 2.765 20 30 CFEDMM CC[C@@H](C)[C@H](OC)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372578 620795426 /nfs/dbraw/zinc/79/54/26/620795426.db2.gz HYCPAKIIXJFXMV-MFKMUULPSA-N -1 1 269.316 2.605 20 30 CFEDMM O=C(c1cc(C2CC2)no1)N([O-])Cc1ccc(F)cc1 ZINC000901372391 620797800 /nfs/dbraw/zinc/79/78/00/620797800.db2.gz XTYJHYGSMVUUOR-UHFFFAOYSA-N -1 1 276.267 2.723 20 30 CFEDMM COC1(C(=O)N([O-])Cc2ccc(F)cc2)CCCCC1 ZINC000901374678 620798651 /nfs/dbraw/zinc/79/86/51/620798651.db2.gz QRCVIADZINCMOG-UHFFFAOYSA-N -1 1 281.327 2.893 20 30 CFEDMM C#C[C@H](C)N(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794578922 618436940 /nfs/dbraw/zinc/43/69/40/618436940.db2.gz MRIGWMJYJBWITG-VIFPVBQESA-N -1 1 291.734 2.606 20 30 CFEDMM CC(=NNc1ccc(C)cn1)c1ccc(C(=O)[O-])cc1 ZINC000727260538 618476655 /nfs/dbraw/zinc/47/66/55/618476655.db2.gz ZMXRHGGYEVBREK-UHFFFAOYSA-N -1 1 269.304 2.924 20 30 CFEDMM CCCc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000901418053 620812740 /nfs/dbraw/zinc/81/27/40/620812740.db2.gz XZDRTVVNHUZMRM-FVNWOWOISA-N -1 1 298.338 2.867 20 30 CFEDMM CC(=NNc1ccccn1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776758726 618937314 /nfs/dbraw/zinc/93/73/14/618937314.db2.gz ADDOKESWGRSDHV-UHFFFAOYSA-N -1 1 273.267 2.755 20 30 CFEDMM CSc1ccc(C=NNc2nc(C)cc(=O)[n-]2)s1 ZINC000814681164 619254455 /nfs/dbraw/zinc/25/44/55/619254455.db2.gz AABUJGYFITXPFZ-UHFFFAOYSA-N -1 1 280.378 2.720 20 30 CFEDMM Cc1cc(/C=C/C(=O)c2c(C)cc(C)cc2[O-])nn1C ZINC000840718382 619963560 /nfs/dbraw/zinc/96/35/60/619963560.db2.gz ARVGSNMTEJZYEB-AATRIKPKSA-N -1 1 270.332 2.947 20 30 CFEDMM O=C(/C=C/c1cnn(C2CCC2)c1)c1cc(O)ccc1[O-] ZINC000899362394 620553301 /nfs/dbraw/zinc/55/33/01/620553301.db2.gz SFCPNDIDGKDVQQ-GQCTYLIASA-N -1 1 284.315 2.915 20 30 CFEDMM O=C(/C=C\c1cnn(CC2CCC2)c1)c1cc(O)ccc1[O-] ZINC000899362125 620553321 /nfs/dbraw/zinc/55/33/21/620553321.db2.gz KUOJORLAAPDGJD-XQRVVYSFSA-N -1 1 298.342 2.991 20 30 CFEDMM C#CCCCCCSc1nc([O-])cc(=O)n1CCCC ZINC000901753671 620909127 /nfs/dbraw/zinc/90/91/27/620909127.db2.gz UWRDFFMULTUINZ-UHFFFAOYSA-N -1 1 294.420 2.828 20 30 CFEDMM C=CC[C@@H](C)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000903607868 621402164 /nfs/dbraw/zinc/40/21/64/621402164.db2.gz NOIVLENEZNHGRP-LLVKDONJSA-N -1 1 275.348 2.716 20 30 CFEDMM CC1(C)CC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)O1 ZINC000904174157 621542194 /nfs/dbraw/zinc/54/21/94/621542194.db2.gz VCZRCNTYXUMODP-LBPRGKRZSA-N -1 1 267.300 2.501 20 30 CFEDMM CCC[C@@H](OC)C(=O)N([O-])Cc1ccccc1Cl ZINC000904193872 621547160 /nfs/dbraw/zinc/54/71/60/621547160.db2.gz XTXKANWXTAKEFG-GFCCVEGCSA-N -1 1 271.744 2.873 20 30 CFEDMM C=C(Cl)CN[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000905390855 621754416 /nfs/dbraw/zinc/75/44/16/621754416.db2.gz QLOPTWHXHBZSMG-NSHDSACASA-N -1 1 257.692 2.602 20 30 CFEDMM CC1(C)C[C@@]1(C#N)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000908299856 622215971 /nfs/dbraw/zinc/21/59/71/622215971.db2.gz QULBZVFPJJBBLA-KRWDZBQOSA-N -1 1 296.326 2.673 20 30 CFEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC000908652451 622254847 /nfs/dbraw/zinc/25/48/47/622254847.db2.gz MZUUUHGXKWBLSO-AWEZNQCLSA-N -1 1 291.322 2.671 20 30 CFEDMM C=C(C)[C@@H](CC(=O)Nc1cc([O-])c(F)cc1F)OCC ZINC000909984032 622381129 /nfs/dbraw/zinc/38/11/29/622381129.db2.gz HRQSRTMTTLOYFD-CYBMUJFWSA-N -1 1 285.290 2.980 20 30 CFEDMM CC1(C#N)CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000833551941 625569415 /nfs/dbraw/zinc/56/94/15/625569415.db2.gz VZKCAIAVAZHYAZ-UHFFFAOYSA-N -1 1 264.350 2.572 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc2c(c1)CCO2 ZINC000054802831 622921742 /nfs/dbraw/zinc/92/17/42/622921742.db2.gz GHKAAPLMOICNCD-PXNMLYILSA-N -1 1 280.279 2.943 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2c(C)n[nH]c2C)c1 ZINC000156685473 622954646 /nfs/dbraw/zinc/95/46/46/622954646.db2.gz OVUBKTMYZBUGMC-FNORWQNLSA-N -1 1 272.304 2.637 20 30 CFEDMM CCn1nccc1/C=C/C(=O)c1cc(OC)ccc1[O-] ZINC000152668709 623750777 /nfs/dbraw/zinc/75/07/77/623750777.db2.gz NQDMQCNCTYCDEF-GQCTYLIASA-N -1 1 272.304 2.513 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=C(c2ccc(F)cc2)C2CC2)n1 ZINC000914689791 623921426 /nfs/dbraw/zinc/92/14/26/623921426.db2.gz ACDZNTDWFLEIMJ-UHFFFAOYSA-N -1 1 286.310 2.856 20 30 CFEDMM Cc1noc(C)c1/C=C1/Oc2cc([O-])cc(C)c2C1=O ZINC000915988846 624205093 /nfs/dbraw/zinc/20/50/93/624205093.db2.gz KELIDDSVHHGQJP-AWNIVKPZSA-N -1 1 271.272 2.922 20 30 CFEDMM O=C([O-])c1ccccc1CN=Nc1ccccc1[N+](=O)[O-] ZINC000916581807 624258893 /nfs/dbraw/zinc/25/88/93/624258893.db2.gz UKTCUCAIIDIGAM-UHFFFAOYSA-N -1 1 285.259 2.739 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2c[nH]c3cc(F)ccc23)n1 ZINC000917530053 624354456 /nfs/dbraw/zinc/35/44/56/624354456.db2.gz WVMARNTZINTDPP-UHFFFAOYSA-N -1 1 285.282 2.557 20 30 CFEDMM Cc1nc(C#N)c(N=NCc2ccc([O-])c(Cl)c2)o1 ZINC000921257948 624829630 /nfs/dbraw/zinc/82/96/30/624829630.db2.gz BNCJSPQROQZRBK-UHFFFAOYSA-N -1 1 276.683 2.660 20 30 CFEDMM C=C[C@@](C)(CCOC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834824890 625880485 /nfs/dbraw/zinc/88/04/85/625880485.db2.gz AVUJAOXUTVKALL-HNNXBMFYSA-N -1 1 297.782 2.891 20 30 CFEDMM CC(CC(C)(C)C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000834938186 625927939 /nfs/dbraw/zinc/92/79/39/625927939.db2.gz FDWJKUNETDEWQS-UHFFFAOYSA-N -1 1 293.392 2.537 20 30 CFEDMM CC1(C)OCC[C@H]1NN=Cc1c([O-])ccc(Cl)c1F ZINC000835015883 625961345 /nfs/dbraw/zinc/96/13/45/625961345.db2.gz HGMXJYAVCUHJGM-LLVKDONJSA-N -1 1 286.734 2.676 20 30 CFEDMM COc1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)cc1O ZINC000187226424 626482950 /nfs/dbraw/zinc/48/29/50/626482950.db2.gz AHKISIFJVJUPSF-SDQBBNPISA-N -1 1 282.295 2.929 20 30 CFEDMM N#Cc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000757472556 626553100 /nfs/dbraw/zinc/55/31/00/626553100.db2.gz KJDHYZVSNWNHOJ-ALCCZGGFSA-N -1 1 293.278 2.858 20 30 CFEDMM COc1cccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000757473871 626553189 /nfs/dbraw/zinc/55/31/89/626553189.db2.gz QVQNNLOACIRDST-ALCCZGGFSA-N -1 1 298.294 2.995 20 30 CFEDMM CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000757964333 626570588 /nfs/dbraw/zinc/57/05/88/626570588.db2.gz FGLKAHRCRZWZAR-GFCCVEGCSA-N -1 1 270.254 2.726 20 30 CFEDMM Cn1cnc2cc(/C=C3/Oc4cc([O-])ccc4C3=O)ccc21 ZINC000761201421 626815312 /nfs/dbraw/zinc/81/53/12/626815312.db2.gz TYZJNOGUSJJUPG-FRKPEAEDSA-N -1 1 292.294 2.895 20 30 CFEDMM CC(C)(C)[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765855896 627161272 /nfs/dbraw/zinc/16/12/72/627161272.db2.gz GYPAFUZWYYFENY-LLVKDONJSA-N -1 1 284.281 2.972 20 30 CFEDMM CCCNC(=S)NN=C(C)c1ccc([O-])c(Cl)c1 ZINC000768768540 627370199 /nfs/dbraw/zinc/37/01/99/627370199.db2.gz OPDTTWDNIQRXKP-UHFFFAOYSA-N -1 1 285.800 2.644 20 30 CFEDMM N#CCN(C(=O)c1c([O-])cccc1Cl)C1CCCC1 ZINC000769896042 627485736 /nfs/dbraw/zinc/48/57/36/627485736.db2.gz HOYMBNVZVKUWBZ-UHFFFAOYSA-N -1 1 278.739 2.954 20 30 CFEDMM C=CCCCCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000771556465 627613743 /nfs/dbraw/zinc/61/37/43/627613743.db2.gz ORDKBWMDHRCTAA-UHFFFAOYSA-N -1 1 277.368 2.700 20 30 CFEDMM [O-]c1c(C=NN2CCOCC2)cc(Cl)c2ccccc12 ZINC000774573831 627938674 /nfs/dbraw/zinc/93/86/74/627938674.db2.gz CRALBXXSXQMWBL-UHFFFAOYSA-N -1 1 290.750 2.865 20 30 CFEDMM [O-]c1c(F)cccc1C=NNc1ccc2n[nH]cc2c1 ZINC000779821392 628411249 /nfs/dbraw/zinc/41/12/49/628411249.db2.gz ZZHNWANDAQNWRR-UHFFFAOYSA-N -1 1 270.267 2.854 20 30 CFEDMM CC(=NN[C@@H]1CCOC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000780249969 628445354 /nfs/dbraw/zinc/44/53/54/628445354.db2.gz JKTIYHZCTZXPIF-LLVKDONJSA-N -1 1 298.333 2.942 20 30 CFEDMM Cc1cc(N=NCc2ccc(C(=O)[O-])cc2Cl)ncn1 ZINC000783841867 628748909 /nfs/dbraw/zinc/74/89/09/628748909.db2.gz GVLWATZFSJGYLQ-UHFFFAOYSA-N -1 1 290.710 2.583 20 30 CFEDMM CC(=NNCCc1ccncc1)c1ccc([O-])c(Cl)c1 ZINC000789096557 629126335 /nfs/dbraw/zinc/12/63/35/629126335.db2.gz BGSGXLNPTDTADO-UHFFFAOYSA-N -1 1 289.766 2.997 20 30 CFEDMM C[C@H](NN=Cc1n[nH]c2cc(C(=O)[O-])ccc12)C(C)(C)C ZINC000793116978 629489175 /nfs/dbraw/zinc/48/91/75/629489175.db2.gz WAMBSTYJBWJZGH-VIFPVBQESA-N -1 1 288.351 2.619 20 30 CFEDMM CC[C@H](C)CON=Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000793146860 629492911 /nfs/dbraw/zinc/49/29/11/629492911.db2.gz VUFXOEYKXGEBEL-VIFPVBQESA-N -1 1 282.296 2.706 20 30 CFEDMM O=C([O-])c1csc(CN=Nc2cccc(Cl)n2)c1 ZINC000793180837 629500996 /nfs/dbraw/zinc/50/09/96/629500996.db2.gz BESICAULSVHXKT-UHFFFAOYSA-N -1 1 281.724 2.941 20 30 CFEDMM [O-]c1ccc(F)c(C=NO[C@@H]2CCCCO2)c1F ZINC000794523538 629653873 /nfs/dbraw/zinc/65/38/73/629653873.db2.gz IRWXCZWIGZQSGF-LLVKDONJSA-N -1 1 257.236 2.548 20 30 CFEDMM O=C(/C=C\c1c(F)ccc(O)c1F)c1cc(O)ccc1[O-] ZINC000794941320 629707710 /nfs/dbraw/zinc/70/77/10/629707710.db2.gz NYJRRZYKYFFTEL-DJWKRKHSSA-N -1 1 292.237 2.978 20 30 CFEDMM CN(C)c1ccccc1CNN=Cc1cccc(F)c1[O-] ZINC000794951500 629708826 /nfs/dbraw/zinc/70/88/26/629708826.db2.gz FHUMQKFFBHUSPJ-UHFFFAOYSA-N -1 1 287.338 2.721 20 30 CFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000795319762 629760844 /nfs/dbraw/zinc/76/08/44/629760844.db2.gz USAJJBXLYHULDI-UHFFFAOYSA-N -1 1 293.369 2.561 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C/c2cnn(C)c2)c([O-])c1 ZINC000799896778 630352623 /nfs/dbraw/zinc/35/26/23/630352623.db2.gz ZBEPMZVIPKIPEF-SNAWJCMRSA-N -1 1 256.305 2.639 20 30 CFEDMM C=C(C)COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000801370407 630442684 /nfs/dbraw/zinc/44/26/84/630442684.db2.gz DBGWZNZTUQTFDI-UHFFFAOYSA-N -1 1 292.722 2.964 20 30 CFEDMM C#CCCCOC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801417115 630446002 /nfs/dbraw/zinc/44/60/02/630446002.db2.gz AOJQDNKQUSWUHQ-UHFFFAOYSA-N -1 1 298.342 2.765 20 30 CFEDMM COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)cc1 ZINC000806560343 630812475 /nfs/dbraw/zinc/81/24/75/630812475.db2.gz LFGLRWFCQZGPOO-RUDMXATFSA-N -1 1 298.294 2.995 20 30 CFEDMM COc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000841602982 630981991 /nfs/dbraw/zinc/98/19/91/630981991.db2.gz FDQYMRBOAVIFDE-UHFFFAOYSA-N -1 1 286.335 2.644 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C/c2cnc(N(C)C)n2C)c([O-])c1 ZINC000840721673 631176691 /nfs/dbraw/zinc/17/66/91/631176691.db2.gz VSDGOSBSCZPIFP-VOTSOKGWSA-N -1 1 299.374 2.705 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C\c2cnc(N(C)C)n2C)c([O-])c1 ZINC000840721671 631176783 /nfs/dbraw/zinc/17/67/83/631176783.db2.gz VSDGOSBSCZPIFP-SREVYHEPSA-N -1 1 299.374 2.705 20 30 CFEDMM C#CCON=C(C)c1ccc(Br)cc1[O-] ZINC000812233266 631672351 /nfs/dbraw/zinc/67/23/51/631672351.db2.gz PBMZKPOCZBTSJK-UHFFFAOYSA-N -1 1 268.110 2.529 20 30 CFEDMM C#CC[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000844004470 632093846 /nfs/dbraw/zinc/09/38/46/632093846.db2.gz BRMXHYRWZJTPOX-JTQLQIEISA-N -1 1 279.286 2.546 20 30 CFEDMM C[C@@H](O)CNN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000814961769 632180456 /nfs/dbraw/zinc/18/04/56/632180456.db2.gz ROASGEKYICXQMX-SECBINFHSA-N -1 1 278.739 2.503 20 30 CFEDMM C[C@@H](NN=C1CCCc2c(C#N)c(=O)[n-]cc21)C(C)(C)C ZINC000844598444 632259453 /nfs/dbraw/zinc/25/94/53/632259453.db2.gz PDPWLZQTFCHDAL-SNVBAGLBSA-N -1 1 286.379 2.723 20 30 CFEDMM C=C(C)CO[N-]C(=O)C1(CC(=O)OC(C)(C)C)CCC1 ZINC000846531441 632723245 /nfs/dbraw/zinc/72/32/45/632723245.db2.gz BGNAMUHPLMBBLZ-UHFFFAOYSA-N -1 1 283.368 2.512 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1cc(Cl)ccc1OC ZINC000846543343 632732213 /nfs/dbraw/zinc/73/22/13/632732213.db2.gz OKGBMCUAAPISQM-VIFPVBQESA-N -1 1 269.728 2.513 20 30 CFEDMM C=C[C@H](C)O[N-]C(=O)Cc1sccc1Br ZINC000846553442 632740817 /nfs/dbraw/zinc/74/08/17/632740817.db2.gz AURPRXLMEYFVSW-ZETCQYMHSA-N -1 1 290.182 2.675 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000848399314 633248665 /nfs/dbraw/zinc/24/86/65/633248665.db2.gz POPISYDAIWTKBM-UHFFFAOYSA-N -1 1 295.346 2.738 20 30 CFEDMM Cn1ncc(C2CC2)c1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000849247866 633590469 /nfs/dbraw/zinc/59/04/69/633590469.db2.gz XVUDESXRSJTGTR-ALCCZGGFSA-N -1 1 284.315 2.605 20 30 CFEDMM CCCn1nccc1/C=C\C(=O)c1cc(OC)ccc1[O-] ZINC000853006733 634872713 /nfs/dbraw/zinc/87/27/13/634872713.db2.gz IVDGYGDMJYNVJN-XQRVVYSFSA-N -1 1 286.331 2.903 20 30 CFEDMM C#C[C@@](C)(CC)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000854703279 635376010 /nfs/dbraw/zinc/37/60/10/635376010.db2.gz QDWCJZXOXTUAGK-AWEZNQCLSA-N -1 1 281.739 2.586 20 30 CFEDMM CCC(CC)CN(CCC#N)c1cc(Cl)[n-]c(=O)n1 ZINC000858456417 636250317 /nfs/dbraw/zinc/25/03/17/636250317.db2.gz HLQWYFDDVQRRRU-UHFFFAOYSA-N -1 1 282.775 2.992 20 30 CFEDMM C=CC(C)(C)CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000863935956 637817063 /nfs/dbraw/zinc/81/70/63/637817063.db2.gz YKBIPEQXQIYNJJ-UHFFFAOYSA-N -1 1 267.300 2.569 20 30 CFEDMM Cc1scc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1C ZINC000865214312 638225704 /nfs/dbraw/zinc/22/57/04/638225704.db2.gz QTUMQANMDDJQLN-NNTXTVRGSA-N -1 1 290.340 2.593 20 30 CFEDMM N#Cc1c[n-]c(=NOC[C@H]2CCOC2)c2sccc21 ZINC000865720763 638533779 /nfs/dbraw/zinc/53/37/79/638533779.db2.gz KGUCPLFJTAQCQU-VIFPVBQESA-N -1 1 275.333 2.548 20 30 CFEDMM COc1cc(N[C@H](C)c2cccc(C#N)c2[O-])cnc1OC ZINC000866395655 638814070 /nfs/dbraw/zinc/81/40/70/638814070.db2.gz BFRWZNYJWBVMJE-SNVBAGLBSA-N -1 1 299.330 2.849 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000870690632 639773739 /nfs/dbraw/zinc/77/37/39/639773739.db2.gz RUCKSDAVWCXXLQ-WDEREUQCSA-N -1 1 298.264 2.947 20 30 CFEDMM C#C[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000873014965 641985329 /nfs/dbraw/zinc/98/53/29/641985329.db2.gz WEFUTBRYBYODOM-CYBMUJFWSA-N -1 1 294.782 2.893 20 30 CFEDMM Cc1ncc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000194680229 650723403 /nfs/dbraw/zinc/72/34/03/650723403.db2.gz ILJGGGBGVSYEJF-GFCCVEGCSA-N -1 1 299.355 2.721 20 30 CFEDMM C#C[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876399590 642852899 /nfs/dbraw/zinc/85/28/99/642852899.db2.gz QKFBTMKITQWVPB-LLVKDONJSA-N -1 1 292.766 2.600 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NCC[C@H]2CCCC2(F)F)c1 ZINC000881582174 645056697 /nfs/dbraw/zinc/05/66/97/645056697.db2.gz CTHMKAYHTXCJND-GFCCVEGCSA-N -1 1 294.301 2.819 20 30 CFEDMM C=CC[C@@H](Sc1nc(C)c(C2CC2)c(=O)[n-]1)C(=O)OC ZINC000882277961 645260572 /nfs/dbraw/zinc/26/05/72/645260572.db2.gz UALUAXVEQHXNPX-SNVBAGLBSA-N -1 1 294.376 2.578 20 30 CFEDMM CC1(C)C[C@@H](NN=Cc2ccc([O-])c(F)c2F)CCO1 ZINC000884451970 646366746 /nfs/dbraw/zinc/36/67/46/646366746.db2.gz FWPWYKXESULLKN-JTQLQIEISA-N -1 1 284.306 2.552 20 30 CFEDMM [O-]c1ccc(C=NNC2CCCCC2)c(F)c1F ZINC000884453559 646367810 /nfs/dbraw/zinc/36/78/10/646367810.db2.gz SFKFUCMOWPETCH-UHFFFAOYSA-N -1 1 254.280 2.927 20 30 CFEDMM C#CCSCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000219294439 646993977 /nfs/dbraw/zinc/99/39/77/646993977.db2.gz PMPJGEAUYMPTCV-UHFFFAOYSA-N -1 1 285.368 2.642 20 30 CFEDMM C[C@]12CN(C(=O)c3cc([O-])cc(C#N)c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000887874847 647426820 /nfs/dbraw/zinc/42/68/20/647426820.db2.gz OPDLAMDREHLBAH-PZMTTYODSA-N -1 1 294.354 2.548 20 30 CFEDMM C[C@H](C[N@H+](C)[C@H]1CCC[C@H]1C#N)C(=O)c1ccc(O)cc1 ZINC000931477152 649438280 /nfs/dbraw/zinc/43/82/80/649438280.db2.gz VXDBWOMEWYZGCS-INWMFGNUSA-N -1 1 286.375 2.835 20 30 CFEDMM N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(O)c1F ZINC001233057856 777783634 /nfs/dbraw/zinc/78/36/34/777783634.db2.gz QNXYSWZLNDGFEV-UOJUARBOSA-N -1 1 260.312 2.798 20 30 CFEDMM C=C[C@@H](CCCC)OCCCC[P@](=O)([O-])O ZINC001225019633 778814776 /nfs/dbraw/zinc/81/47/76/778814776.db2.gz ZDRUQPSULMHNTI-NSHDSACASA-N -1 1 250.275 2.706 20 30 CFEDMM CCOC(=O)c1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)o1 ZINC000588535163 770949633 /nfs/dbraw/zinc/94/96/33/770949633.db2.gz OGYUFFGUHIJYAH-LUAWRHEFSA-N -1 1 298.294 2.984 20 30 CFEDMM C=CC[C@H](CCC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667009 775548766 /nfs/dbraw/zinc/54/87/66/775548766.db2.gz NJLOCNQXSDDOBO-SECBINFHSA-N -1 1 252.270 2.819 20 30 CFEDMM N#CC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225667638 775549442 /nfs/dbraw/zinc/54/94/42/775549442.db2.gz UYGAUYSEAYYHEJ-GFCCVEGCSA-N -1 1 285.259 2.729 20 30 CFEDMM CC(C)CCOC(=O)[C@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226114516 775703805 /nfs/dbraw/zinc/70/38/05/775703805.db2.gz LVUGOYWMNKEJRA-SEJMYLSOSA-N -1 1 279.336 2.851 20 30 CFEDMM C#C[C@@H]1CCC[C@@H]1Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487139 775843779 /nfs/dbraw/zinc/84/37/79/775843779.db2.gz VJKHNYILUUGDKU-YPMHNXCESA-N -1 1 284.311 2.988 20 30 CFEDMM N#Cc1cc(Nc2cc3ccc([O-])cc3oc2=O)ccc1N ZINC001213431136 775975402 /nfs/dbraw/zinc/97/54/02/775975402.db2.gz FSGBLBHTNFYGPK-UHFFFAOYSA-N -1 1 293.282 2.696 20 30 CFEDMM Cc1nc(=O)[n-]c(O[C@@H](C#N)c2cccc(F)c2)c1Cl ZINC001227114048 776103159 /nfs/dbraw/zinc/10/31/59/776103159.db2.gz XOUZSVKHNJNIPS-JTQLQIEISA-N -1 1 293.685 2.927 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1C=CC(=O)C1 ZINC001227122105 776106628 /nfs/dbraw/zinc/10/66/28/776106628.db2.gz IVTZQCMVKLMILL-LBPRGKRZSA-N -1 1 272.300 2.600 20 30 CFEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H](C)C(C)=O ZINC001227120188 776107200 /nfs/dbraw/zinc/10/72/00/776107200.db2.gz HHEBZTDAXAOULL-LLVKDONJSA-N -1 1 262.305 2.680 20 30 CFEDMM CCCCCCC[C@@H](C)Oc1nc2c([n-]1)[nH]c(=O)[nH]c2=O ZINC001227436595 776203256 /nfs/dbraw/zinc/20/32/56/776203256.db2.gz ZAZIDLNLVBZWSR-SECBINFHSA-N -1 1 294.355 2.892 20 30 CFEDMM C=C(C)C[C@H](Oc1[n-]c(=O)nc2c1COC2)C(=C)C ZINC001227685945 776255583 /nfs/dbraw/zinc/25/55/83/776255583.db2.gz AZQJJFNOANRWNW-LBPRGKRZSA-N -1 1 262.309 2.502 20 30 CFEDMM N#Cc1ccc([O-])cc1OC[C@H]1Cc2ccccc2O1 ZINC001228005192 776357491 /nfs/dbraw/zinc/35/74/91/776357491.db2.gz INRGNCXOOAHFQG-CQSZACIVSA-N -1 1 267.284 2.646 20 30 CFEDMM C=C[C@@H](CCCCCC)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228139805 776406880 /nfs/dbraw/zinc/40/68/80/776406880.db2.gz AREHHGJQGRFROP-JTQLQIEISA-N -1 1 281.312 2.994 20 30 CFEDMM C=CC(C)(C)CCNC(=O)c1ccc(F)c([O-])c1 ZINC001167787712 776413455 /nfs/dbraw/zinc/41/34/55/776413455.db2.gz POVZTPSGERDPIG-UHFFFAOYSA-N -1 1 251.301 2.863 20 30 CFEDMM C#C[C@@H]1CCC[C@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135852 776728449 /nfs/dbraw/zinc/72/84/49/776728449.db2.gz RGBDPIRIBQZVKB-ZWNOBZJWSA-N -1 1 270.284 2.679 20 30 CFEDMM N#CCN1CC[C@@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229405973 776803353 /nfs/dbraw/zinc/80/33/53/776803353.db2.gz GNYBYZVEUODEGZ-MRVPVSSYSA-N -1 1 287.146 2.676 20 30 CFEDMM C=CC[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(C)C ZINC001231265115 777180988 /nfs/dbraw/zinc/18/09/88/777180988.db2.gz YMWDWYFHSKXWTJ-LLVKDONJSA-N -1 1 266.297 2.983 20 30 CFEDMM N#Cc1ccc([O-])c(CN2CCc3cc(F)ccc3C2)c1 ZINC001232677341 777637881 /nfs/dbraw/zinc/63/78/81/777637881.db2.gz BCNKPBMMZCYPMJ-UHFFFAOYSA-N -1 1 282.318 2.961 20 30 CFEDMM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ncc1[O-] ZINC001233034224 777772909 /nfs/dbraw/zinc/77/29/09/777772909.db2.gz HUUSSVDXMHVOTO-WLLOZRIZSA-N -1 1 277.755 2.707 20 30 CFEDMM N#Cc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)c(O)c1 ZINC001233386796 777928933 /nfs/dbraw/zinc/92/89/33/777928933.db2.gz JCIHKKMJQGAPEH-UHFFFAOYSA-N -1 1 282.318 2.961 20 30 CFEDMM N#C[C@@H]1CCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415905 777942653 /nfs/dbraw/zinc/94/26/53/777942653.db2.gz NQQUZUCNOPAZGW-JTQLQIEISA-N -1 1 270.254 2.899 20 30 CFEDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)CS ZINC001233495474 777968460 /nfs/dbraw/zinc/96/84/60/777968460.db2.gz GPCKWERJIOBHAM-MRVPVSSYSA-N -1 1 270.350 2.778 20 30 CFEDMM C[C@H](C#C[Si](C)(C)C)Oc1cc([O-])ccc1C#N ZINC001228007866 777992787 /nfs/dbraw/zinc/99/27/87/777992787.db2.gz UEDYCAKEZXPSMM-LLVKDONJSA-N -1 1 259.381 2.912 20 30 CFEDMM C#C[C@@H]1CCC[C@H]1Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234043969 778150465 /nfs/dbraw/zinc/15/04/65/778150465.db2.gz HEVVDHKPBYQLJZ-ZWNOBZJWSA-N -1 1 284.315 2.530 20 30 CFEDMM C#CC[C@@H](CC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234044428 778151145 /nfs/dbraw/zinc/15/11/45/778151145.db2.gz JZJWCMHCSCRNGD-SNVBAGLBSA-N -1 1 272.304 2.530 20 30 CFEDMM C=C(C)C[C@H](Oc1c(C(=O)OC)nc(C)[n-]c1=O)C(=C)C ZINC001234560267 778251749 /nfs/dbraw/zinc/25/17/49/778251749.db2.gz CIYPWEPUPWBEFV-NSHDSACASA-N -1 1 292.335 2.567 20 30 CFEDMM C=C[C@H](CCC)Oc1c(C(=O)OC)nc(C(C)C)[n-]c1=O ZINC001234559862 778251885 /nfs/dbraw/zinc/25/18/85/778251885.db2.gz JQGXISLJQMBJEL-SNVBAGLBSA-N -1 1 294.351 2.826 20 30 CFEDMM CCOC(=O)[C@@H](CC(C)C)Oc1ccccc1C=N[O-] ZINC001234819302 778301671 /nfs/dbraw/zinc/30/16/71/778301671.db2.gz KJMPEFYGRNMUSZ-CQSZACIVSA-N -1 1 279.336 2.851 20 30 CFEDMM Cc1ccc(F)c(-c2ccc(OCC#N)cn2)c1[O-] ZINC001236402676 778804394 /nfs/dbraw/zinc/80/43/94/778804394.db2.gz MXOUDPXPGHRCDX-UHFFFAOYSA-N -1 1 258.252 2.804 20 30 CFEDMM COc1cc([O-])c(CN2CCCC[C@@H]2C#N)c(Cl)c1 ZINC001236804520 778945566 /nfs/dbraw/zinc/94/55/66/778945566.db2.gz VSSSXELNYRGFFD-SNVBAGLBSA-N -1 1 280.755 2.932 20 30 CFEDMM C[C@@]1(C#N)CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941522 779212991 /nfs/dbraw/zinc/21/29/91/779212991.db2.gz YCWITJPGUJSWIX-ZDUSSCGKSA-N -1 1 268.719 2.920 20 30 CFEDMM N#C[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237950519 779214221 /nfs/dbraw/zinc/21/42/21/779214221.db2.gz VVZYMEJKMKQLJC-VIFPVBQESA-N -1 1 268.719 2.920 20 30 CFEDMM CN(C)c1nc(Nc2ccc(C3(C#N)CC3)cc2)cc(=O)[n-]1 ZINC001212249903 779522313 /nfs/dbraw/zinc/52/23/13/779522313.db2.gz SWAOEYBLIUFPBT-UHFFFAOYSA-N -1 1 295.346 2.547 20 30 CFEDMM [O-]/N=C/c1ccc(F)c(-c2cnn(C(F)F)c2)c1 ZINC001238867044 779841362 /nfs/dbraw/zinc/84/13/62/779841362.db2.gz PUITVLPGNVSHSY-AYSLTRBKSA-N -1 1 255.199 2.892 20 30 CFEDMM COc1cc(-c2cccc(/C=N/[O-])c2)cnc1OC ZINC001240622726 780300931 /nfs/dbraw/zinc/30/09/31/780300931.db2.gz IUQVLJVNIGWXNH-LZYBPNLTSA-N -1 1 258.277 2.574 20 30 CFEDMM COC(=O)c1cc(C#N)ccc1-c1cc(F)ccc1[O-] ZINC001240696218 780367391 /nfs/dbraw/zinc/36/73/91/780367391.db2.gz HXYHHWLIOYVVFD-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM COc1cc(-c2nccc3[nH]cc(C#N)c32)ccc1C(=O)[O-] ZINC001240741916 780407883 /nfs/dbraw/zinc/40/78/83/780407883.db2.gz XXGXTMITKXQISU-UHFFFAOYSA-N -1 1 293.282 2.808 20 30 CFEDMM C=CCNC(=O)c1cccnc1-c1ccc([O-])c(F)c1 ZINC001240782756 780436240 /nfs/dbraw/zinc/43/62/40/780436240.db2.gz IDGMYJSSNKIPMT-UHFFFAOYSA-N -1 1 272.279 2.509 20 30 CFEDMM CCOC(=O)[C@@H](CC)Oc1ccccc1/C(C)=N/[O-] ZINC001229737367 780462120 /nfs/dbraw/zinc/46/21/20/780462120.db2.gz WBDFROMMQOVMQB-JXCQQFQQSA-N -1 1 265.309 2.605 20 30 CFEDMM N#Cc1c[nH]c2ccnc(-c3ccc(CC(=O)[O-])cc3)c12 ZINC001240973703 780562692 /nfs/dbraw/zinc/56/26/92/780562692.db2.gz XNYLNVDKAHEARO-UHFFFAOYSA-N -1 1 277.283 2.729 20 30 CFEDMM N#Cc1c[nH]c2ccnc(-c3cc(F)cc(C(=O)[O-])c3)c12 ZINC001241824300 781145962 /nfs/dbraw/zinc/14/59/62/781145962.db2.gz UCKALLLDCMRIHD-UHFFFAOYSA-N -1 1 281.246 2.939 20 30 CFEDMM N#Cc1cc(-c2cc(C(F)(F)F)ccc2[O-])ncn1 ZINC001242132162 781295906 /nfs/dbraw/zinc/29/59/06/781295906.db2.gz XUWQNOVVHOMJBZ-UHFFFAOYSA-N -1 1 265.194 2.740 20 30 CFEDMM COc1ccc(C(=O)[O-])cc1-c1nccc2[nH]cc(C#N)c21 ZINC001242387950 781457698 /nfs/dbraw/zinc/45/76/98/781457698.db2.gz CYBKVQLNRKMSKQ-UHFFFAOYSA-N -1 1 293.282 2.808 20 30 CFEDMM COc1ccc2ncnc(-c3ccc([O-])c(C#N)c3)c2c1 ZINC001242562399 781599598 /nfs/dbraw/zinc/59/95/98/781599598.db2.gz WJUSUUGRVAILNP-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM CC(C)(C)OC(=O)c1cnc(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242562808 781601410 /nfs/dbraw/zinc/60/14/10/781601410.db2.gz IMKBNENZPPZBTN-UHFFFAOYSA-N -1 1 297.314 2.676 20 30 CFEDMM CCOC(=O)CCc1cccnc1-c1ccc([O-])c(C#N)c1 ZINC001242562958 781601736 /nfs/dbraw/zinc/60/17/36/781601736.db2.gz LKXTYGFNDOXAPO-UHFFFAOYSA-N -1 1 296.326 2.822 20 30 CFEDMM N#Cc1cc(-c2cccc(N3CCOCC3)c2)ccc1[O-] ZINC001242564697 781603297 /nfs/dbraw/zinc/60/32/97/781603297.db2.gz ODSWQTCHVIRXTQ-UHFFFAOYSA-N -1 1 280.327 2.767 20 30 CFEDMM N#Cc1cc(-c2ccc3c(c2)SCC(=O)N3)ccc1[O-] ZINC001242564922 781603860 /nfs/dbraw/zinc/60/38/60/781603860.db2.gz BHPMTTZACWBQDD-UHFFFAOYSA-N -1 1 282.324 2.975 20 30 CFEDMM COC(=O)c1c(F)cc(F)cc1-c1ccc([O-])c(C#N)c1 ZINC001242565946 781605290 /nfs/dbraw/zinc/60/52/90/781605290.db2.gz XVYAFCKNZIUPRL-UHFFFAOYSA-N -1 1 289.237 2.996 20 30 CFEDMM N#Cc1ccnc(-c2cc([O-])cc(OC(F)(F)F)c2)n1 ZINC001242986037 781901707 /nfs/dbraw/zinc/90/17/07/781901707.db2.gz ASUZRLPUTUNBIT-UHFFFAOYSA-N -1 1 281.193 2.619 20 30 CFEDMM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000594790113 349487500 /nfs/dbraw/zinc/48/75/00/349487500.db2.gz RWSACUMOPKTZQE-AAEUAGOBSA-N -1 1 294.376 2.564 20 30 CFEDMM CC[C@@H](N=c1[n-]c(C#N)c(Cl)s1)C1CCOCC1 ZINC000596146775 349808939 /nfs/dbraw/zinc/80/89/39/349808939.db2.gz JEUIPJKXDNVSOE-SECBINFHSA-N -1 1 285.800 2.707 20 30 CFEDMM C[C@]1(CN=c2[n-]c(C#N)c(Cl)s2)CCO[C@H]1C1CC1 ZINC000596194404 349824152 /nfs/dbraw/zinc/82/41/52/349824152.db2.gz KORCJJJHYNWFKD-GXFFZTMASA-N -1 1 297.811 2.707 20 30 CFEDMM C[C@H](CC(F)(F)F)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596197365 349824755 /nfs/dbraw/zinc/82/47/55/349824755.db2.gz UJYTXHZHGBYHBL-SCSAIBSYSA-N -1 1 269.679 2.843 20 30 CFEDMM C=CCN(CC1CCCCC1)C(=O)c1ncccc1[O-] ZINC000127067029 187280124 /nfs/dbraw/zinc/28/01/24/187280124.db2.gz YQKOKQKDUJGYAN-UHFFFAOYSA-N -1 1 274.364 2.996 20 30 CFEDMM C=C(C)CNc1nc(-c2ccc([O-])c(C(N)=O)c2)cs1 ZINC000066938804 346784817 /nfs/dbraw/zinc/78/48/17/346784817.db2.gz TWPKWTKDAQLBRY-UHFFFAOYSA-N -1 1 289.360 2.603 20 30 CFEDMM CC(C)(CCC#N)CNC(=O)c1ccc([O-])c(F)c1 ZINC000588783748 348795989 /nfs/dbraw/zinc/79/59/89/348795989.db2.gz BECNSSKODUPVKR-UHFFFAOYSA-N -1 1 264.300 2.591 20 30 CFEDMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589170150 348815040 /nfs/dbraw/zinc/81/50/40/348815040.db2.gz JQLIJSUFOVZKBB-QGZVFWFLSA-N -1 1 292.338 2.990 20 30 CFEDMM CN(CCCc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589169702 348815046 /nfs/dbraw/zinc/81/50/46/348815046.db2.gz DXTDZPAXHOUURJ-UHFFFAOYSA-N -1 1 294.354 2.969 20 30 CFEDMM COc1cccc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589168304 348815488 /nfs/dbraw/zinc/81/54/88/348815488.db2.gz DDJAIZGBUYRTID-NSHDSACASA-N -1 1 296.326 2.763 20 30 CFEDMM Cc1csc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589178380 348815858 /nfs/dbraw/zinc/81/58/58/348815858.db2.gz ZDVIPJADZOBJKQ-VIFPVBQESA-N -1 1 287.344 2.520 20 30 CFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589185247 348816852 /nfs/dbraw/zinc/81/68/52/348816852.db2.gz PLPLGBORSRRSFB-NSHDSACASA-N -1 1 266.300 2.755 20 30 CFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589185244 348817211 /nfs/dbraw/zinc/81/72/11/348817211.db2.gz PLPLGBORSRRSFB-LLVKDONJSA-N -1 1 266.300 2.755 20 30 CFEDMM CC1(C)CCCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589184491 348817310 /nfs/dbraw/zinc/81/73/10/348817310.db2.gz SWCVQHCZCSCPFK-UHFFFAOYSA-N -1 1 272.348 2.916 20 30 CFEDMM CC[C@H]1CCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589189072 348817914 /nfs/dbraw/zinc/81/79/14/348817914.db2.gz AVIRNFTUOHBKCL-SMDDNHRTSA-N -1 1 258.321 2.572 20 30 CFEDMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589188555 348818055 /nfs/dbraw/zinc/81/80/55/348818055.db2.gz LQARPTBBPLSXRN-GHMZBOCLSA-N -1 1 272.348 2.818 20 30 CFEDMM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589188695 348818065 /nfs/dbraw/zinc/81/80/65/348818065.db2.gz HHHUBRGSSULXMX-WDEREUQCSA-N -1 1 258.321 2.524 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3ccc(F)cc3)CC2)c1 ZINC000589188931 348818235 /nfs/dbraw/zinc/81/82/35/348818235.db2.gz QTCKHWXZJWYBKA-UHFFFAOYSA-N -1 1 296.301 2.822 20 30 CFEDMM Cc1ccsc1CCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589197263 348818748 /nfs/dbraw/zinc/81/87/48/348818748.db2.gz LCWVWNFSRXQVTA-UHFFFAOYSA-N -1 1 286.356 2.606 20 30 CFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000589199904 348819276 /nfs/dbraw/zinc/81/92/76/348819276.db2.gz SLTATUKIQBWWSL-RLCCDNCMSA-N -1 1 284.359 2.915 20 30 CFEDMM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C[C@H]1C ZINC000589203655 348819743 /nfs/dbraw/zinc/81/97/43/348819743.db2.gz OFQLDDXQHULFMC-JTNHKYCSSA-N -1 1 272.348 2.818 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3c2cccc3F)c1 ZINC000589206274 348819945 /nfs/dbraw/zinc/81/99/45/348819945.db2.gz QZTSJLVHMWOFGR-UHFFFAOYSA-N -1 1 282.274 2.606 20 30 CFEDMM CS[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)C(C)(C)C ZINC000589201688 348820073 /nfs/dbraw/zinc/82/00/73/348820073.db2.gz CWBZGZSUVBLUKF-CYBMUJFWSA-N -1 1 292.404 2.771 20 30 CFEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1sccc1Cl ZINC000590739758 348940419 /nfs/dbraw/zinc/94/04/19/348940419.db2.gz RHNVJURWKXCRFC-MRVPVSSYSA-N -1 1 292.813 2.618 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCCCC2(F)F)c1 ZINC000590767432 348945385 /nfs/dbraw/zinc/94/53/85/348945385.db2.gz KCGQUEBSOXSCHA-LBPRGKRZSA-N -1 1 294.301 2.819 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1 ZINC000591088412 348986851 /nfs/dbraw/zinc/98/68/51/348986851.db2.gz XMCBGUDIXUUWSS-BBRMVZONSA-N -1 1 284.359 2.820 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](C3CCC3)C2)c1 ZINC000591125426 348989779 /nfs/dbraw/zinc/98/97/79/348989779.db2.gz BAGMDYRQRIGUTN-ZDUSSCGKSA-N -1 1 270.332 2.526 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000590874316 348960628 /nfs/dbraw/zinc/96/06/28/348960628.db2.gz MFCRBEFXVGBQJS-CVEARBPZSA-N -1 1 282.343 2.524 20 30 CFEDMM CCCc1cc(=O)[n-]c(SCc2ccncc2C#N)n1 ZINC000592343180 349105507 /nfs/dbraw/zinc/10/55/07/349105507.db2.gz MLUOZHJQIMESMQ-UHFFFAOYSA-N -1 1 286.360 2.694 20 30 CFEDMM N#CC1(CN=c2[n-]c(-c3ccccc3)no2)CCCC1 ZINC000593484970 349281358 /nfs/dbraw/zinc/28/13/58/349281358.db2.gz SUSYVZJXTUKVGP-UHFFFAOYSA-N -1 1 268.320 2.654 20 30 CFEDMM N#CC1(CN=c2nc(-c3ccccc3)[n-]o2)CCCC1 ZINC000593484970 349281361 /nfs/dbraw/zinc/28/13/61/349281361.db2.gz SUSYVZJXTUKVGP-UHFFFAOYSA-N -1 1 268.320 2.654 20 30 CFEDMM CC(C)(C)[C@H](C#N)NC(=O)c1ncc2ccccc2c1[O-] ZINC000597352185 350088220 /nfs/dbraw/zinc/08/82/20/350088220.db2.gz VPZLWZLZQNZMCL-LBPRGKRZSA-N -1 1 283.331 2.608 20 30 CFEDMM C=CC[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000597996072 350175477 /nfs/dbraw/zinc/17/54/77/350175477.db2.gz YCYJFERUGXVXGS-GFCCVEGCSA-N -1 1 270.332 2.692 20 30 CFEDMM CC(C)CC1(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000598403682 350257953 /nfs/dbraw/zinc/25/79/53/350257953.db2.gz JHYOUYNFBYKVIS-UHFFFAOYSA-N -1 1 258.321 2.572 20 30 CFEDMM CCOc1cc(C(=O)N(CC)[C@@H](C)C#N)cc(Cl)c1[O-] ZINC000598354954 350245622 /nfs/dbraw/zinc/24/56/22/350245622.db2.gz VWLGFBBKSXTSKL-VIFPVBQESA-N -1 1 296.754 2.818 20 30 CFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C1CCC(F)CC1 ZINC000598368200 350251523 /nfs/dbraw/zinc/25/15/23/350251523.db2.gz YQDWBQIGVDLZTF-JKDOVBDQSA-N -1 1 290.338 2.910 20 30 CFEDMM C[C@]1(C#N)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000598411199 350261458 /nfs/dbraw/zinc/26/14/58/350261458.db2.gz NZTKNECPVWJNOC-QGZVFWFLSA-N -1 1 280.327 2.921 20 30 CFEDMM C=C(C)C[C@H](N=c1nc(C2CCCC2)[n-]s1)C(=O)OC ZINC000601226277 350702823 /nfs/dbraw/zinc/70/28/23/350702823.db2.gz DRNVXVNQJXOQMT-NSHDSACASA-N -1 1 295.408 2.537 20 30 CFEDMM CCCc1c(C)[n-]n(Cc2ccc(C#N)cc2)c1=O ZINC000601948667 350815069 /nfs/dbraw/zinc/81/50/69/350815069.db2.gz XKZIVMKBEVKLCW-AWEZNQCLSA-N -1 1 255.321 2.693 20 30 CFEDMM C[C@H]1CCc2[n-]n(-c3ccc(C#N)c(Cl)c3)c(=O)c21 ZINC000601950047 350816921 /nfs/dbraw/zinc/81/69/21/350816921.db2.gz STYQMADGDXTOKZ-SDBXPKJASA-N -1 1 273.723 2.960 20 30 CFEDMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCC[C@@H]1C#N ZINC000601814260 350782670 /nfs/dbraw/zinc/78/26/70/350782670.db2.gz ALBAXPAGAZMFRR-BXKDBHETSA-N -1 1 278.739 2.810 20 30 CFEDMM C[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614294894 352076293 /nfs/dbraw/zinc/07/62/93/352076293.db2.gz ABERYPAGGHGKOP-ZWNOBZJWSA-N -1 1 258.321 2.572 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(F)c2)c1 ZINC000614294005 352076303 /nfs/dbraw/zinc/07/63/03/352076303.db2.gz IGLRSEZMESOGKT-UHFFFAOYSA-N -1 1 256.236 2.655 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000614298351 352077096 /nfs/dbraw/zinc/07/70/96/352077096.db2.gz KSQCUKZZZFEIRT-HZPDHXFCSA-N -1 1 296.301 2.689 20 30 CFEDMM CS[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614299381 352077162 /nfs/dbraw/zinc/07/71/62/352077162.db2.gz LIBKWZHAMREFJZ-TZMCWYRMSA-N -1 1 290.388 2.668 20 30 CFEDMM CC(C)CC1(CNC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614300671 352077168 /nfs/dbraw/zinc/07/71/68/352077168.db2.gz QXWUEXSCQYCIQM-UHFFFAOYSA-N -1 1 272.348 2.820 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000614298592 352077236 /nfs/dbraw/zinc/07/72/36/352077236.db2.gz VBQBOZALSOTVBA-JKSUJKDBSA-N -1 1 278.311 2.550 20 30 CFEDMM CCC[C@@H](C)c1cc(=NC(=O)c2cc([O-])cc(C#N)c2)[nH][nH]1 ZINC000614299125 352077264 /nfs/dbraw/zinc/07/72/64/352077264.db2.gz QESLTZVNTOIHSQ-SNVBAGLBSA-N -1 1 298.346 2.565 20 30 CFEDMM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H]1C ZINC000614357055 352084047 /nfs/dbraw/zinc/08/40/47/352084047.db2.gz NGAQPYOUAZEIHD-ZETOZRRWSA-N -1 1 272.348 2.818 20 30 CFEDMM CC[C@H]1CCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000614357198 352084397 /nfs/dbraw/zinc/08/43/97/352084397.db2.gz GMVYYTPXNBBDQI-ZDUSSCGKSA-N -1 1 258.321 2.669 20 30 CFEDMM CC1CCC(N(C)C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614361256 352084914 /nfs/dbraw/zinc/08/49/14/352084914.db2.gz SMPCSZTWJGOWLY-UHFFFAOYSA-N -1 1 272.348 2.915 20 30 CFEDMM C[C@@H](c1ccco1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614361707 352085158 /nfs/dbraw/zinc/08/51/58/352085158.db2.gz WFKCJXBNWJAXIQ-JTQLQIEISA-N -1 1 270.288 2.690 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(F)c(F)cc2F)c1 ZINC000614366578 352085635 /nfs/dbraw/zinc/08/56/35/352085635.db2.gz JYRGMOQPSAACGN-UHFFFAOYSA-N -1 1 292.216 2.933 20 30 CFEDMM Cc1c(F)cccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614370598 352086210 /nfs/dbraw/zinc/08/62/10/352086210.db2.gz RUVZLMPIDYEMMF-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000615477853 352198467 /nfs/dbraw/zinc/19/84/67/352198467.db2.gz LCYXJUUNINPFBO-MRXNPFEDSA-N -1 1 292.338 2.990 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3ccsc3C2)c1 ZINC000616035077 352276722 /nfs/dbraw/zinc/27/67/22/352276722.db2.gz FLKQUKYZAAMPPC-UHFFFAOYSA-N -1 1 284.340 2.524 20 30 CFEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000617042529 352477904 /nfs/dbraw/zinc/47/79/04/352477904.db2.gz SKAHQWRFSBMXMU-RISCZKNCSA-N -1 1 260.337 2.652 20 30 CFEDMM C=CCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000617617188 352605850 /nfs/dbraw/zinc/60/58/50/352605850.db2.gz ZMBFFVAMNJBGQI-UHFFFAOYSA-N -1 1 259.227 2.717 20 30 CFEDMM CCc1nocc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000626344294 354253324 /nfs/dbraw/zinc/25/33/24/354253324.db2.gz LMHTZBBOISNYGQ-SNVBAGLBSA-N -1 1 294.314 2.912 20 30 CFEDMM CCc1nocc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000626344293 354253528 /nfs/dbraw/zinc/25/35/28/354253528.db2.gz LMHTZBBOISNYGQ-JTQLQIEISA-N -1 1 294.314 2.912 20 30 CFEDMM C[C@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000189460461 290508095 /nfs/dbraw/zinc/50/80/95/290508095.db2.gz MRRPBIBEQOSGAF-FZMZJTMJSA-N -1 1 272.348 2.962 20 30 CFEDMM C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C[C@H]1C ZINC000443109176 241041228 /nfs/dbraw/zinc/04/12/28/241041228.db2.gz OVVRDCSHDSEEIU-GYSYKLTISA-N -1 1 272.348 2.818 20 30 CFEDMM N#CC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCC1 ZINC000129619448 260840965 /nfs/dbraw/zinc/84/09/65/260840965.db2.gz MDKBGWLNUDWPQX-UHFFFAOYSA-N -1 1 250.685 2.678 20 30 CFEDMM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000330671455 203099732 /nfs/dbraw/zinc/09/97/32/203099732.db2.gz MVNQBXKGJKPQKQ-LLVKDONJSA-N -1 1 284.381 2.644 20 30 CFEDMM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)on1 ZINC000331896973 204274057 /nfs/dbraw/zinc/27/40/57/204274057.db2.gz YJOBRJIPUFXYMO-ZDUSSCGKSA-N -1 1 297.314 2.538 20 30 CFEDMM Cc1cc([C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)on1 ZINC000331896971 204274952 /nfs/dbraw/zinc/27/49/52/204274952.db2.gz YJOBRJIPUFXYMO-CYBMUJFWSA-N -1 1 297.314 2.538 20 30 CFEDMM COc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c([O-])c1 ZINC000051637546 373403893 /nfs/dbraw/zinc/40/38/93/373403893.db2.gz AOGPFHOBXPIAAA-UHFFFAOYSA-N -1 1 286.262 2.664 20 30 CFEDMM N#Cc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000075912371 374513301 /nfs/dbraw/zinc/51/33/01/374513301.db2.gz BFAHFESSBBFZMU-UHFFFAOYSA-N -1 1 256.236 2.655 20 30 CFEDMM CCC(C#N)(CC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000529464815 383704100 /nfs/dbraw/zinc/70/41/00/383704100.db2.gz GIXPTAZDRVUSBX-UHFFFAOYSA-N -1 1 268.263 2.939 20 30 CFEDMM CC1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCCCCC1 ZINC000331525469 378701698 /nfs/dbraw/zinc/70/16/98/378701698.db2.gz RTHAVPWPOAMLRR-UHFFFAOYSA-N -1 1 296.392 2.790 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2cccc([O-])c2F)s1 ZINC000334337804 379118540 /nfs/dbraw/zinc/11/85/40/379118540.db2.gz WTSPODKZUOKZGH-UHFFFAOYSA-N -1 1 262.265 2.717 20 30 CFEDMM N#CCCCCNC(=O)c1cc(Br)ccc1[O-] ZINC000171506224 379327430 /nfs/dbraw/zinc/32/74/30/379327430.db2.gz QBFGJYDXJMRMDC-UHFFFAOYSA-N -1 1 297.152 2.578 20 30 CFEDMM CC(C)(NC(=O)c1ccc(C#N)c([O-])c1)C1CCC1 ZINC000334767648 379911787 /nfs/dbraw/zinc/91/17/87/379911787.db2.gz HHPIPRPKMSGVKF-UHFFFAOYSA-N -1 1 258.321 2.572 20 30 CFEDMM Cc1oc(C#N)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000335852167 379995880 /nfs/dbraw/zinc/99/58/80/379995880.db2.gz FKYAMFWEBVUDMZ-UHFFFAOYSA-N -1 1 260.224 2.557 20 30 CFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000335203465 380001873 /nfs/dbraw/zinc/00/18/73/380001873.db2.gz PGHRNGALSGOHQV-LLVKDONJSA-N -1 1 277.349 2.520 20 30 CFEDMM CC(C)[C@H]1N(C(=O)c2ccc(C#N)c([O-])c2)CC1(C)C ZINC000336019010 380245399 /nfs/dbraw/zinc/24/53/99/380245399.db2.gz KPFLBHBTMZQTER-CQSZACIVSA-N -1 1 272.348 2.770 20 30 CFEDMM N#CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180464568 380664554 /nfs/dbraw/zinc/66/45/54/380664554.db2.gz KJAZFVWWCKQCJU-UHFFFAOYSA-N -1 1 298.264 2.787 20 30 CFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3nccnc3c2)n1 ZINC000354216402 381146094 /nfs/dbraw/zinc/14/60/94/381146094.db2.gz DHIHFSZOOZTMOR-NSHDSACASA-N -1 1 294.339 2.885 20 30 CFEDMM N#CCCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350575205 382015313 /nfs/dbraw/zinc/01/53/13/382015313.db2.gz HZWMTGMKWQMIBV-UHFFFAOYSA-N -1 1 263.684 2.942 20 30 CFEDMM N#CCCC[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000352160688 382201568 /nfs/dbraw/zinc/20/15/68/382201568.db2.gz ODHNBHIPRLSHNK-MRXNPFEDSA-N -1 1 295.342 2.952 20 30 CFEDMM CCc1cc(=O)[n-]c(SCc2cc(F)ccc2C#N)n1 ZINC000188096529 382343166 /nfs/dbraw/zinc/34/31/66/382343166.db2.gz QQSSTPCQTOXBBY-UHFFFAOYSA-N -1 1 289.335 2.635 20 30 CFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCCC1 ZINC000188497926 382425001 /nfs/dbraw/zinc/42/50/01/382425001.db2.gz NJUALNINUSOZAI-JTQLQIEISA-N -1 1 258.321 2.572 20 30 CFEDMM CCSCC[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188588177 382439563 /nfs/dbraw/zinc/43/95/63/382439563.db2.gz LVVQHMFFVNLFOS-JTQLQIEISA-N -1 1 278.377 2.525 20 30 CFEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000353169692 382510728 /nfs/dbraw/zinc/51/07/28/382510728.db2.gz OZEBOPXIYKAAJZ-MRVPVSSYSA-N -1 1 293.310 2.737 20 30 CFEDMM N#CC1(F)CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000353459436 382547993 /nfs/dbraw/zinc/54/79/93/382547993.db2.gz HIPXIZCKDYGPON-UHFFFAOYSA-N -1 1 268.719 2.873 20 30 CFEDMM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189797487 382641320 /nfs/dbraw/zinc/64/13/20/382641320.db2.gz RLRADKUOWAKQEE-GWCFXTLKSA-N -1 1 258.321 2.572 20 30 CFEDMM CCc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)s1 ZINC000190565116 382673482 /nfs/dbraw/zinc/67/34/82/382673482.db2.gz DMPNFJGFNSBGMO-UHFFFAOYSA-N -1 1 286.356 2.818 20 30 CFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1 ZINC000193475649 382720086 /nfs/dbraw/zinc/72/00/86/382720086.db2.gz XCKPTXTYIDJWRD-UHFFFAOYSA-N -1 1 297.339 2.840 20 30 CFEDMM C=CCCC[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000579827933 383056212 /nfs/dbraw/zinc/05/62/12/383056212.db2.gz UQWHQITUYOWTEF-UHFFFAOYSA-N -1 1 282.390 2.541 20 30 CFEDMM CCc1ccc(C(=O)Nc2cc(C)nn2CCC#N)c([O-])c1 ZINC000527038615 383446289 /nfs/dbraw/zinc/44/62/89/383446289.db2.gz IPXYMHCPFNCKLL-UHFFFAOYSA-N -1 1 298.346 2.626 20 30 CFEDMM C[C@H](C#N)CN(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000436602535 383853151 /nfs/dbraw/zinc/85/31/51/383853151.db2.gz KLRDPGULRZCQGA-SECBINFHSA-N -1 1 278.739 2.810 20 30 CFEDMM CC1(C)C[C@@]1(C#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436645527 383861588 /nfs/dbraw/zinc/86/15/88/383861588.db2.gz BCRWVNKTILMCBG-KRWDZBQOSA-N -1 1 280.327 2.967 20 30 CFEDMM N#CCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000436829349 383894878 /nfs/dbraw/zinc/89/48/78/383894878.db2.gz LNTLUACALIOABH-UHFFFAOYSA-N -1 1 254.289 2.579 20 30 CFEDMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1C ZINC000189795138 296484973 /nfs/dbraw/zinc/48/49/73/296484973.db2.gz WEXXZOUZVPRQRN-GYSYKLTISA-N -1 1 272.348 2.818 20 30 CFEDMM CC(=Cc1ccc(F)c(F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193615044 393658102 /nfs/dbraw/zinc/65/81/02/393658102.db2.gz KYSPNWPQBWMJSG-YVMONPNESA-N -1 1 287.269 2.789 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000416936735 393945873 /nfs/dbraw/zinc/94/58/73/393945873.db2.gz ILVIELJZIAYOKH-AWEZNQCLSA-N -1 1 296.392 2.765 20 30 CFEDMM CCSc1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1 ZINC000416965314 393946731 /nfs/dbraw/zinc/94/67/31/393946731.db2.gz XGMWWEQPUFJEFK-LBPRGKRZSA-N -1 1 284.406 2.842 20 30 CFEDMM CCCCCCCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155462310 394316982 /nfs/dbraw/zinc/31/69/82/394316982.db2.gz ASPMFLUCOJTSOQ-CYBMUJFWSA-N -1 1 293.415 2.656 20 30 CFEDMM COC(=O)c1coc(C(=O)[N-]c2scc(C)c2C#N)c1 ZINC000344892561 162143179 /nfs/dbraw/zinc/14/31/79/162143179.db2.gz KZFHSCLYFCBMPD-UHFFFAOYSA-N -1 1 290.300 2.560 20 30 CFEDMM C=C(C)CCc1noc(-c2ccc(OC)cc2[O-])n1 ZINC000284995640 196174075 /nfs/dbraw/zinc/17/40/75/196174075.db2.gz CQUCKXDKNSAAFH-UHFFFAOYSA-N -1 1 260.293 2.960 20 30 CFEDMM C=CCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000664227682 413644764 /nfs/dbraw/zinc/64/47/64/413644764.db2.gz IUBGWVIOOQEQKC-UHFFFAOYSA-N -1 1 270.336 2.849 20 30 CFEDMM Cc1cnc(C(=O)N[C@@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000330236653 228076122 /nfs/dbraw/zinc/07/61/22/228076122.db2.gz HIMADUIKBWCLLJ-LLVKDONJSA-N -1 1 276.336 2.502 20 30 CFEDMM N#CCCC[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC000352193468 228194893 /nfs/dbraw/zinc/19/48/93/228194893.db2.gz SPFNJJGVGUZJBU-CQSZACIVSA-N -1 1 295.342 2.952 20 30 CFEDMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188276273 262288163 /nfs/dbraw/zinc/28/81/63/262288163.db2.gz HLOSERXQWUMODJ-RISCZKNCSA-N -1 1 272.348 2.915 20 30 CFEDMM CC1(C)CCCN(C(=O)c2ccc([O-])cc2F)[C@@H]1C#N ZINC000277608860 263042262 /nfs/dbraw/zinc/04/22/62/263042262.db2.gz UZSOXPPHKWBYHP-CYBMUJFWSA-N -1 1 276.311 2.686 20 30 CFEDMM C[C@H](C[C@@H]1CCCO1)NC(=O)c1cc(F)ccc1[O-] ZINC000331231678 264153432 /nfs/dbraw/zinc/15/34/32/264153432.db2.gz ILMCDBHUZCFGJR-KOLCDFICSA-N -1 1 267.300 2.794 20 30 CFEDMM O=C(N[C@H](CO)CC1CCCC1)c1ccc([O-])cc1F ZINC000331223665 264167514 /nfs/dbraw/zinc/16/75/14/264167514.db2.gz AFCUNBLBYOPQIJ-NSHDSACASA-N -1 1 281.327 2.777 20 30 CFEDMM COc1cc(C(=O)N[C@@H]2CCO[C@@H](C)C2)cc(Cl)c1[O-] ZINC000331267436 264168213 /nfs/dbraw/zinc/16/82/13/264168213.db2.gz IMKAUECLDIEAQZ-WCBMZHEXSA-N -1 1 299.754 2.926 20 30 CFEDMM C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC000331311028 264186611 /nfs/dbraw/zinc/18/66/11/264186611.db2.gz HMVRYNSYTIIGNA-PWSUYJOCSA-N -1 1 267.712 2.694 20 30 CFEDMM C=CCCC[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189146436 264272434 /nfs/dbraw/zinc/27/24/34/264272434.db2.gz YBAVFWQVSMZISQ-LLVKDONJSA-N -1 1 258.321 2.738 20 30 CFEDMM CC#CCCNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000357992377 266395185 /nfs/dbraw/zinc/39/51/85/266395185.db2.gz QDWNGJGZBMSEGY-UHFFFAOYSA-N -1 1 281.739 2.588 20 30 CFEDMM N#Cc1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)nc1 ZINC000566470814 290389664 /nfs/dbraw/zinc/38/96/64/290389664.db2.gz OYSKFQDTGKRMDT-UHFFFAOYSA-N -1 1 284.344 2.619 20 30 CFEDMM N#CCCC1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000335385252 335092295 /nfs/dbraw/zinc/09/22/95/335092295.db2.gz VSZDFCAIYWUVMH-UHFFFAOYSA-N -1 1 276.311 2.687 20 30 CFEDMM N#Cc1ccc(C(=O)NCc2cc3ccccc3o2)cc1[O-] ZINC000190634568 324042080 /nfs/dbraw/zinc/04/20/80/324042080.db2.gz QBLDBONWHSORDZ-UHFFFAOYSA-N -1 1 292.294 2.940 20 30 CFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cccc2nccn21 ZINC000178944249 329203233 /nfs/dbraw/zinc/20/32/33/329203233.db2.gz ZIRSPBSSZIKWCB-ZSOIEALJSA-N -1 1 278.267 2.656 20 30 CFEDMM COc1ccc(C(=O)Nc2ccccc2CC#N)c([O-])c1 ZINC000514688258 329701454 /nfs/dbraw/zinc/70/14/54/329701454.db2.gz DYRUKXLFTBXNPK-UHFFFAOYSA-N -1 1 282.299 2.719 20 30 CFEDMM CCN(C[C@@H](C)C#N)C(=O)c1cc(Cl)ccc1[O-] ZINC000044413282 330328017 /nfs/dbraw/zinc/32/80/17/330328017.db2.gz PZAUZVUXMQYKAU-VIFPVBQESA-N -1 1 266.728 2.667 20 30 CFEDMM CCc1cc(=O)[n-]c(S[C@@H](C#N)Cc2ccc(C)cc2)n1 ZINC000195066049 331135400 /nfs/dbraw/zinc/13/54/00/331135400.db2.gz AMYPWUNIFIFZPR-CQSZACIVSA-N -1 1 299.399 2.868 20 30 CFEDMM C[C@H](CC#N)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000136924623 334165631 /nfs/dbraw/zinc/16/56/31/334165631.db2.gz XMTOBWFTLXFCSK-MRVPVSSYSA-N -1 1 297.152 2.529 20 30 CFEDMM [O-]/N=C/c1ccc(-c2cnc(N3CCCC3)nc2)cc1F ZINC001243317115 782132707 /nfs/dbraw/zinc/13/27/07/782132707.db2.gz RDEFRTBFWSDSFD-VXLYETTFSA-N -1 1 286.310 2.691 20 30 CFEDMM CC[C@]1(C)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000336344519 523567081 /nfs/dbraw/zinc/56/70/81/523567081.db2.gz ZCBVAUQHBDDNBG-OAHLLOKOSA-N -1 1 258.321 2.526 20 30 CFEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000070431872 524688935 /nfs/dbraw/zinc/68/89/35/524688935.db2.gz AAJWUIMDWFFKBG-UHFFFAOYSA-N -1 1 286.356 2.976 20 30 CFEDMM CC(=NNC(=S)NCCC(C)C)c1ccc(F)cc1[O-] ZINC000727777997 574064599 /nfs/dbraw/zinc/06/45/99/574064599.db2.gz WGOMUUCEZIZIPL-UHFFFAOYSA-N -1 1 297.399 2.766 20 30 CFEDMM C=C(C)[C@H](C)OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000756006081 574204008 /nfs/dbraw/zinc/20/40/08/574204008.db2.gz MLTILWDWJAOBFT-JTQLQIEISA-N -1 1 296.392 2.653 20 30 CFEDMM O=C([O-])c1ccccc1C=NNc1nc2ccccc2[nH]1 ZINC000740240631 574244012 /nfs/dbraw/zinc/24/40/12/574244012.db2.gz XFQXGJSHSFCUAD-UHFFFAOYSA-N -1 1 280.287 2.707 20 30 CFEDMM Cn1c(=O)oc2cc(/C=C\C(=O)c3ccc([O-])cc3)ccc21 ZINC000756625762 574253258 /nfs/dbraw/zinc/25/32/58/574253258.db2.gz KMZXGZHRPRXROB-OQFOIZHKSA-N -1 1 295.294 2.733 20 30 CFEDMM N#C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)C1CCCCC1 ZINC000756749737 574260760 /nfs/dbraw/zinc/26/07/60/574260760.db2.gz YISMXRSUVOQTAN-SNVBAGLBSA-N -1 1 299.346 2.824 20 30 CFEDMM [O-]c1ccc(C=NNc2ccncc2Cl)cc1Cl ZINC000756841980 574267312 /nfs/dbraw/zinc/26/73/12/574267312.db2.gz GIEASTIURRYYSF-UHFFFAOYSA-N -1 1 282.130 2.962 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cccc(C#N)c1 ZINC000756901644 574271425 /nfs/dbraw/zinc/27/14/25/574271425.db2.gz UNYWAZPQLGMJMA-UHFFFAOYSA-N -1 1 295.298 2.711 20 30 CFEDMM N#CCCCCOC(=O)c1c([O-])cc(F)cc1F ZINC000749277415 574287667 /nfs/dbraw/zinc/28/76/67/574287667.db2.gz CHDNRQSYTCKNKK-UHFFFAOYSA-N -1 1 255.220 2.521 20 30 CFEDMM COc1ccc2c(c1)C(=NNc1nc(C)cc(=O)[n-]1)CCC2 ZINC000741838940 574306079 /nfs/dbraw/zinc/30/60/79/574306079.db2.gz OPCFFYXYBMAENP-UHFFFAOYSA-N -1 1 298.346 2.652 20 30 CFEDMM C#CCN(CC#CC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000750052685 574322841 /nfs/dbraw/zinc/32/28/41/574322841.db2.gz XDVKHJWMEKOKJN-UHFFFAOYSA-N -1 1 289.762 2.707 20 30 CFEDMM C#CCOc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000743416803 574363269 /nfs/dbraw/zinc/36/32/69/574363269.db2.gz SJTHWTVZOCPEGE-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM C=C(C)CN(CC)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000819723126 607303499 /nfs/dbraw/zinc/30/34/99/607303499.db2.gz ZTSKEANQJMJXQH-UHFFFAOYSA-N -1 1 294.362 2.817 20 30 CFEDMM C=C(C)CN(CC)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000819723126 607303500 /nfs/dbraw/zinc/30/35/00/607303500.db2.gz ZTSKEANQJMJXQH-UHFFFAOYSA-N -1 1 294.362 2.817 20 30 CFEDMM N#Cc1cccc([C@H](NCc2ccccc2F)C(=O)[O-])c1 ZINC000833075952 601297883 /nfs/dbraw/zinc/29/78/83/601297883.db2.gz OSJRKHLVSCOSHD-HNNXBMFYSA-N -1 1 284.290 2.613 20 30 CFEDMM CC(=NNc1ccc(C(=O)[O-])cn1)c1cc(F)ccc1F ZINC000763376883 604669408 /nfs/dbraw/zinc/66/94/08/604669408.db2.gz HZTSCCXXRDCDJZ-UHFFFAOYSA-N -1 1 291.257 2.894 20 30 CFEDMM C=C(Br)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000833367598 604954194 /nfs/dbraw/zinc/95/41/94/604954194.db2.gz OXFFILSUVZLROT-CMPLNLGQSA-N -1 1 298.180 2.947 20 30 CFEDMM O=C([O-])c1ccccc1N=NCc1ccc2c(c1)CCO2 ZINC000833783814 605100142 /nfs/dbraw/zinc/10/01/42/605100142.db2.gz SSTIAFONJHGJMQ-UHFFFAOYSA-N -1 1 282.299 2.766 20 30 CFEDMM C=CCOC[C@H](NCc1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC000901810620 620921732 /nfs/dbraw/zinc/92/17/32/620921732.db2.gz SUBVLWAWEDSPQM-LBPRGKRZSA-N -1 1 297.420 2.791 20 30 CFEDMM N#CC(C(=O)Cc1ccccc1NC(=O)[O-])c1ccccn1 ZINC000833959715 606091309 /nfs/dbraw/zinc/09/13/09/606091309.db2.gz CSBYXNYERGYVPA-LBPRGKRZSA-N -1 1 295.298 2.590 20 30 CFEDMM C=C[C@@](C)(CCOC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759863 617837493 /nfs/dbraw/zinc/83/74/93/617837493.db2.gz SSNYIKVFNVUEDU-HNNXBMFYSA-N -1 1 297.782 2.891 20 30 CFEDMM C#C[C@H](NC(=O)c1cc(Br)ccc1[O-])C(C)C ZINC000304193096 617611978 /nfs/dbraw/zinc/61/19/78/617611978.db2.gz VTPTUQWXTJUPIZ-NSHDSACASA-N -1 1 296.164 2.542 20 30 CFEDMM C=CC[C@H]1CCN1C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000890558825 617651110 /nfs/dbraw/zinc/65/11/10/617651110.db2.gz HPZDSYBJUWUTBR-NSHDSACASA-N -1 1 289.379 2.579 20 30 CFEDMM C=CC[C@H]1CCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000890561817 617653884 /nfs/dbraw/zinc/65/38/84/617653884.db2.gz LFHIKCYHZFTFAO-JTQLQIEISA-N -1 1 281.739 2.845 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1C=NNC[C@H]1CCSC1 ZINC000811657969 617688043 /nfs/dbraw/zinc/68/80/43/617688043.db2.gz BKYQPGOBIQQMAS-MRVPVSSYSA-N -1 1 288.775 2.861 20 30 CFEDMM C#C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000890648420 617733182 /nfs/dbraw/zinc/73/31/82/617733182.db2.gz ZRNAKPJWDPXLCD-NSHDSACASA-N -1 1 263.724 2.674 20 30 CFEDMM C#C[C@@H]1CCCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000890657856 617743696 /nfs/dbraw/zinc/74/36/96/617743696.db2.gz XPVDEJAIPLVTQZ-CYBMUJFWSA-N -1 1 295.338 2.879 20 30 CFEDMM CCC(C#N)(CC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763131 617842655 /nfs/dbraw/zinc/84/26/55/617842655.db2.gz OCWWPZOHOULBCR-UHFFFAOYSA-N -1 1 280.755 2.992 20 30 CFEDMM C=CC(C)(C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000891262459 618086586 /nfs/dbraw/zinc/08/65/86/618086586.db2.gz RLBGJNZTGDKFQU-UHFFFAOYSA-N -1 1 253.729 2.669 20 30 CFEDMM N#Cc1csc(/C=C2/Oc3cc([O-])ccc3C2=O)c1 ZINC000255567635 618128277 /nfs/dbraw/zinc/12/82/77/618128277.db2.gz JVWASOFGXDEYNK-WLRTZDKTSA-N -1 1 269.281 2.942 20 30 CFEDMM CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000901309010 620782009 /nfs/dbraw/zinc/78/20/09/620782009.db2.gz YOQGKKHDANCVKB-IUCAKERBSA-N -1 1 298.333 2.940 20 30 CFEDMM CCOc1nc(C(=O)[N-]c2sc(C)c(C)c2C#N)co1 ZINC000901290289 620784739 /nfs/dbraw/zinc/78/47/39/620784739.db2.gz VKHVCDZFXWVVJQ-UHFFFAOYSA-N -1 1 291.332 2.876 20 30 CFEDMM [O-]c1ccc(Cl)c(F)c1C=Nn1nnc2c1CCCC2 ZINC000901331716 620786758 /nfs/dbraw/zinc/78/67/58/620786758.db2.gz USTZSDFQGLVKON-UHFFFAOYSA-N -1 1 294.717 2.537 20 30 CFEDMM C=CCCC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901339041 620788585 /nfs/dbraw/zinc/78/85/85/620788585.db2.gz ZIJJSWMFDWEKNX-SNVBAGLBSA-N -1 1 275.352 2.534 20 30 CFEDMM CCO[C@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369863 620796690 /nfs/dbraw/zinc/79/66/90/620796690.db2.gz IPPYDVALQFOQLH-GFCCVEGCSA-N -1 1 273.332 2.983 20 30 CFEDMM C[C@H](C#N)N(C[C@H](C)C(=O)c1ccc([O-])cc1)C1CC1 ZINC000930973054 618356724 /nfs/dbraw/zinc/35/67/24/618356724.db2.gz GEEKWYPLXFRWKQ-NWDGAFQWSA-N -1 1 272.348 2.587 20 30 CFEDMM CC(=NNCCC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000794548516 618415704 /nfs/dbraw/zinc/41/57/04/618415704.db2.gz ROROQBWLVPZFNS-UHFFFAOYSA-N -1 1 282.212 2.936 20 30 CFEDMM CCCc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000901418051 620812777 /nfs/dbraw/zinc/81/27/77/620812777.db2.gz XZDRTVVNHUZMRM-DOOKAGJSSA-N -1 1 298.338 2.867 20 30 CFEDMM C=CCOCCOC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924085957 618753582 /nfs/dbraw/zinc/75/35/82/618753582.db2.gz ZPQQKYUCSBRQPU-UHFFFAOYSA-N -1 1 296.273 2.860 20 30 CFEDMM CC(=NN(C)C[C@@H](C)O)c1cc(Cl)c(Cl)cc1[O-] ZINC000841649237 618758494 /nfs/dbraw/zinc/75/84/94/618758494.db2.gz FURIUOULBCLIKF-SSDOTTSWSA-N -1 1 291.178 2.736 20 30 CFEDMM N#CC[C@H](NC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC000928811324 620020997 /nfs/dbraw/zinc/02/09/97/620020997.db2.gz GCKDYLUHXVSLGI-QMMMGPOBSA-N -1 1 292.644 2.620 20 30 CFEDMM C#CCCCCCCSc1nc(C(=O)OC)c[n-]1 ZINC000901537045 620849787 /nfs/dbraw/zinc/84/97/87/620849787.db2.gz YCKRMEGIAIOPBI-UHFFFAOYSA-N -1 1 266.366 2.872 20 30 CFEDMM C=CCCC[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903922306 621473805 /nfs/dbraw/zinc/47/38/05/621473805.db2.gz XWHXXILLADDYEO-UHFFFAOYSA-N -1 1 261.321 2.545 20 30 CFEDMM CC(Cl)(Cl)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173862 621542148 /nfs/dbraw/zinc/54/21/48/621542148.db2.gz RNRNLPDKGJNBEM-UHFFFAOYSA-N -1 1 266.099 2.737 20 30 CFEDMM CC[C@@H](C)OCC(=O)N([O-])Cc1ccccc1Cl ZINC000904191429 621546383 /nfs/dbraw/zinc/54/63/83/621546383.db2.gz XZRYUVOMMSGXDO-SNVBAGLBSA-N -1 1 271.744 2.873 20 30 CFEDMM O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N([O-])Cc1ccccc1Cl ZINC000904192384 621546414 /nfs/dbraw/zinc/54/64/14/621546414.db2.gz JYDXFAZDADXHDT-SGMGOOAPSA-N -1 1 295.766 2.873 20 30 CFEDMM C=C(Cl)CN[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000905400270 621758878 /nfs/dbraw/zinc/75/88/78/621758878.db2.gz LJCJKUPYHRXGRG-NSHDSACASA-N -1 1 290.146 2.816 20 30 CFEDMM C=CC(C)(C)[N-]S(=O)(=O)c1sccc1Cl ZINC000908466559 622233165 /nfs/dbraw/zinc/23/31/65/622233165.db2.gz MZFWJHLPGGNDDJ-UHFFFAOYSA-N -1 1 265.787 2.644 20 30 CFEDMM CC1(C#N)CCN([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000833551587 625569588 /nfs/dbraw/zinc/56/95/88/625569588.db2.gz QEMXPOHKAKWWDZ-ZDUSSCGKSA-N -1 1 276.311 2.577 20 30 CFEDMM C#CCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000230627870 623287010 /nfs/dbraw/zinc/28/70/10/623287010.db2.gz ZCNOAVYKRLCZEJ-UHFFFAOYSA-N -1 1 298.216 2.747 20 30 CFEDMM C=CCOc1cccc([N-]S(=O)(=O)CC2(F)CCC2)c1 ZINC000914332111 623765043 /nfs/dbraw/zinc/76/50/43/623765043.db2.gz YPWPXIZOGOWDSE-UHFFFAOYSA-N -1 1 299.367 2.885 20 30 CFEDMM C=CCO[N-]C(=O)[C@H](C)c1cccc(Br)c1 ZINC000837049114 624083046 /nfs/dbraw/zinc/08/30/46/624083046.db2.gz AGFPDOOHWDQXLU-SECBINFHSA-N -1 1 284.153 2.786 20 30 CFEDMM C=CCOc1ccccc1C=C1SC(=O)[N-]C1=O ZINC000915840207 624131351 /nfs/dbraw/zinc/13/13/51/624131351.db2.gz UWPGCWAWMUMYIY-FLIBITNWSA-N -1 1 261.302 2.575 20 30 CFEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000828147963 624185984 /nfs/dbraw/zinc/18/59/84/624185984.db2.gz ITKRNLDIRXATQI-AEGPPILISA-N -1 1 270.332 2.795 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccccc2OC(C)C)n1 ZINC000916241549 624230872 /nfs/dbraw/zinc/23/08/72/624230872.db2.gz KBOORWFGEHLHFL-UHFFFAOYSA-N -1 1 286.335 2.724 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2ncc(Cl)n2C)c1 ZINC000916658765 624271816 /nfs/dbraw/zinc/27/18/16/624271816.db2.gz MACMWIQCRIBXIA-WAYWQWQTSA-N -1 1 292.722 2.684 20 30 CFEDMM Cc1ccc2c(C=NNc3nc(C)cc(=O)[n-]3)c[nH]c2c1 ZINC000917530230 624355187 /nfs/dbraw/zinc/35/51/87/624355187.db2.gz ZXODKKXKZHBVAO-UHFFFAOYSA-N -1 1 281.319 2.726 20 30 CFEDMM O=[N+]([O-])c1cc(CN=Nc2ncccc2Cl)ccc1[O-] ZINC000917549546 624358597 /nfs/dbraw/zinc/35/85/97/624358597.db2.gz SHZAGSSZTRAQMZ-UHFFFAOYSA-N -1 1 292.682 2.795 20 30 CFEDMM Cc1ccc2c(c1)CCC2=NNc1nc(C)cc(=O)[n-]1 ZINC000921252133 624829204 /nfs/dbraw/zinc/82/92/04/624829204.db2.gz CRAOTXMDJFRWCC-UHFFFAOYSA-N -1 1 268.320 2.561 20 30 CFEDMM CC[C@@](C)(C#N)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834824870 625882190 /nfs/dbraw/zinc/88/21/90/625882190.db2.gz AFCDRNSFVSVNNC-ZDUSSCGKSA-N -1 1 266.728 2.602 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C\c2nccs2)c1 ZINC000757467516 626552980 /nfs/dbraw/zinc/55/29/80/626552980.db2.gz FHHVNULGCILRTP-PLNGDYQASA-N -1 1 261.302 2.753 20 30 CFEDMM Cc1ncccc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757471395 626553091 /nfs/dbraw/zinc/55/30/91/626553091.db2.gz BODGOLXECCGDLN-XQRVVYSFSA-N -1 1 283.283 2.690 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NC2CC(c3ccc(F)cc3)C2)n1 ZINC000759179221 626633358 /nfs/dbraw/zinc/63/33/58/626633358.db2.gz LMFNSYIQFKWSIW-UHFFFAOYSA-N -1 1 286.310 2.975 20 30 CFEDMM N#CC(=C([O-])C=CSCc1ccco1)c1ccncn1 ZINC000760340888 626736690 /nfs/dbraw/zinc/73/66/90/626736690.db2.gz OXMXYUJYTBMMPH-KMSCOEIWSA-N -1 1 285.328 2.693 20 30 CFEDMM C=C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764795882 627095876 /nfs/dbraw/zinc/09/58/76/627095876.db2.gz BYFYYECZRYTGPJ-MRVPVSSYSA-N -1 1 299.168 2.528 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(F)cc2Cl)n1 ZINC000767743731 627281632 /nfs/dbraw/zinc/28/16/32/627281632.db2.gz MDHQIWLQYYCHOQ-UHFFFAOYSA-N -1 1 280.690 2.729 20 30 CFEDMM C#CCC(C)(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000768711370 627366504 /nfs/dbraw/zinc/36/65/04/627366504.db2.gz NQUYVIPINJMTJM-UHFFFAOYSA-N -1 1 283.331 2.770 20 30 CFEDMM CC(=NN[C@H](C)CC#N)c1ccc([O-])c(Cl)c1 ZINC000768784931 627373313 /nfs/dbraw/zinc/37/33/13/627373313.db2.gz WCWRZHQGJXNTCN-MRVPVSSYSA-N -1 1 251.717 2.661 20 30 CFEDMM [O-]c1c(Br)cccc1C=NNCC(F)(F)F ZINC000769822070 627478357 /nfs/dbraw/zinc/47/83/57/627478357.db2.gz OVGSDFWZIPAOOH-UHFFFAOYSA-N -1 1 297.074 2.641 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2cscc2Cl)c(=O)o1 ZINC000771845252 627636778 /nfs/dbraw/zinc/63/67/78/627636778.db2.gz JSXPSJSUTGABHE-ZZKXABKFSA-N -1 1 296.731 2.630 20 30 CFEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(Cl)cs2)n1 ZINC000782096558 628604182 /nfs/dbraw/zinc/60/41/82/628604182.db2.gz KNTFLOBKRQYGRU-UHFFFAOYSA-N -1 1 268.729 2.652 20 30 CFEDMM O=C([O-])c1ccc(NN=Cc2sccc2Cl)nc1 ZINC000782266387 628621079 /nfs/dbraw/zinc/62/10/79/628621079.db2.gz INUYBZVROIPXCQ-UHFFFAOYSA-N -1 1 281.724 2.941 20 30 CFEDMM CC(=O)c1ccc([O-])c(CCOC(=O)CC(C)(C)C#N)c1 ZINC000785091806 628866196 /nfs/dbraw/zinc/86/61/96/628866196.db2.gz YULSHGIOOUGLND-UHFFFAOYSA-N -1 1 289.331 2.620 20 30 CFEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cc(C)on1 ZINC000790297943 629226834 /nfs/dbraw/zinc/22/68/34/629226834.db2.gz QZIGYBUPOWKZTB-UHFFFAOYSA-N -1 1 289.291 2.526 20 30 CFEDMM O=C(OCC#Cc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000791416323 629311987 /nfs/dbraw/zinc/31/19/87/629311987.db2.gz DDBNIIIVFCPYKJ-UHFFFAOYSA-N -1 1 297.266 2.509 20 30 CFEDMM O=C([O-])c1cc(CN=Nc2cccc(Cl)n2)ccc1O ZINC000793173995 629498575 /nfs/dbraw/zinc/49/85/75/629498575.db2.gz FWASAFORKOMFDI-UHFFFAOYSA-N -1 1 291.694 2.585 20 30 CFEDMM C=C[C@H](OC(=O)c1ccc(C(=O)OC)[n-]1)C(C)(C)C ZINC000797236145 630045489 /nfs/dbraw/zinc/04/54/89/630045489.db2.gz QLMGPAKHQGPDKR-NSHDSACASA-N -1 1 265.309 2.559 20 30 CFEDMM Cc1ccc2c(NNc3nc(C)cc(=O)[n-]3)csc2c1 ZINC000797785031 630103235 /nfs/dbraw/zinc/10/32/35/630103235.db2.gz RLSRLNLIGDWFSD-UHFFFAOYSA-N -1 1 286.360 2.721 20 30 CFEDMM O=C([O-])c1ccccc1NN=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799473767 630311536 /nfs/dbraw/zinc/31/15/36/630311536.db2.gz OWENWKGFNIYCQY-UHFFFAOYSA-N -1 1 298.224 2.573 20 30 CFEDMM Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1C#N ZINC000799714620 630337767 /nfs/dbraw/zinc/33/77/67/630337767.db2.gz ZRMYISHMWVQOMR-UHFFFAOYSA-N -1 1 270.263 2.964 20 30 CFEDMM Cc1cc(C)c(C(=O)/C=C/c2ccnn2C)c([O-])c1 ZINC000799894814 630352609 /nfs/dbraw/zinc/35/26/09/630352609.db2.gz GBQVSRMXIAVIKP-SNAWJCMRSA-N -1 1 256.305 2.639 20 30 CFEDMM O=C(/C=C\c1cc(F)ncc1F)c1ccc([O-])cc1 ZINC000806564662 630812176 /nfs/dbraw/zinc/81/21/76/630812176.db2.gz FNFMVQRUSFYQDQ-UTCJRWHESA-N -1 1 261.227 2.962 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H]2Cc2ccccc2)c1 ZINC000809705958 631267583 /nfs/dbraw/zinc/26/75/83/631267583.db2.gz GKKZBZZPKDDRKZ-INIZCTEOSA-N -1 1 292.338 2.721 20 30 CFEDMM C=CCCCCCCC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000809852667 631295515 /nfs/dbraw/zinc/29/55/15/631295515.db2.gz HGPSZYSHCGEENC-UHFFFAOYSA-N -1 1 296.392 2.956 20 30 CFEDMM C#CCOc1cc(F)ccc1NC(=O)c1ccccc1[O-] ZINC000155217166 650011095 /nfs/dbraw/zinc/01/10/95/650011095.db2.gz RLJONMABEYQZED-UHFFFAOYSA-N -1 1 285.274 2.796 20 30 CFEDMM CC(=NNCC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841633480 631438331 /nfs/dbraw/zinc/43/83/31/631438331.db2.gz XAFHZCDUEYLIEF-UHFFFAOYSA-N -1 1 266.650 2.922 20 30 CFEDMM [O-]c1ccc(C=NNC[C@H]2CCSC2)cc1Cl ZINC000811661946 631599906 /nfs/dbraw/zinc/59/99/06/631599906.db2.gz XNRCSNKMCUGVQK-SNVBAGLBSA-N -1 1 270.785 2.722 20 30 CFEDMM CC(N=Nc1ccccc1C(=O)[O-])c1cc2n(n1)CCCC2 ZINC000842521928 631651925 /nfs/dbraw/zinc/65/19/25/631651925.db2.gz RGYIORBWFAQLLK-UHFFFAOYSA-N -1 1 298.346 2.754 20 30 CFEDMM C#CCO[N-]C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000812786056 631774720 /nfs/dbraw/zinc/77/47/20/631774720.db2.gz AEIVRLRXMYEAIO-UHFFFAOYSA-N -1 1 279.767 2.980 20 30 CFEDMM CC1(C)C[C@]1(C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000813303207 631897734 /nfs/dbraw/zinc/89/77/34/631897734.db2.gz KOAWLMDNPLVQTJ-CYBMUJFWSA-N -1 1 282.265 2.726 20 30 CFEDMM CC(C)Cn1nccc1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000843270661 631915058 /nfs/dbraw/zinc/91/50/58/631915058.db2.gz XMSXYJBLKAMYHR-HWKANZROSA-N -1 1 286.331 2.846 20 30 CFEDMM C#CC[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000844004472 632093395 /nfs/dbraw/zinc/09/33/95/632093395.db2.gz BRMXHYRWZJTPOX-SNVBAGLBSA-N -1 1 279.286 2.546 20 30 CFEDMM [O-]c1cccc(CN=Nc2cncc(Cl)n2)c1Cl ZINC000814797631 632126484 /nfs/dbraw/zinc/12/64/84/632126484.db2.gz MHMLCVVLCQQXQS-UHFFFAOYSA-N -1 1 283.118 2.935 20 30 CFEDMM CC(=NNc1cc(C)nc(C)n1)c1cc(C(=O)[O-])cs1 ZINC000814806994 632129194 /nfs/dbraw/zinc/12/91/94/632129194.db2.gz AFTLKBXRJGYPRD-UHFFFAOYSA-N -1 1 290.348 2.689 20 30 CFEDMM CC(=NNCCN1CCCCC1)[C@H](C)CCCCC(=O)[O-] ZINC000814808724 632129961 /nfs/dbraw/zinc/12/99/61/632129961.db2.gz RHWHGKMGTBDFFI-CQSZACIVSA-N -1 1 297.443 2.719 20 30 CFEDMM Cc1cc(N=NCc2cccc(C(=O)[O-])c2Cl)ncn1 ZINC000814846437 632137020 /nfs/dbraw/zinc/13/70/20/632137020.db2.gz QXQYWQIXZGYUKK-UHFFFAOYSA-N -1 1 290.710 2.583 20 30 CFEDMM Nc1nc(Cl)cc(N=NCc2cccc([O-])c2Cl)n1 ZINC000814899339 632154734 /nfs/dbraw/zinc/15/47/34/632154734.db2.gz QUOZVQXGEXUZGY-UHFFFAOYSA-N -1 1 298.133 2.517 20 30 CFEDMM CC1(C)CCC[C@@H]1NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844594081 632258197 /nfs/dbraw/zinc/25/81/97/632258197.db2.gz RABWUCMOTKZQIM-HNNXBMFYSA-N -1 1 298.390 2.868 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000846556160 632742355 /nfs/dbraw/zinc/74/23/55/632742355.db2.gz YNFJQCDCNCTQGI-LLVKDONJSA-N -1 1 263.312 2.771 20 30 CFEDMM CC[C@@H](CC#N)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000846990685 632871658 /nfs/dbraw/zinc/87/16/58/632871658.db2.gz DSVAUCJUUMFRKB-LBPRGKRZSA-N -1 1 264.300 2.516 20 30 CFEDMM C=CCC1(C(=O)[N-]OCc2ccccc2)CCOCC1 ZINC000819027825 632933821 /nfs/dbraw/zinc/93/38/21/632933821.db2.gz STBASZTUYYBYBS-UHFFFAOYSA-N -1 1 275.348 2.607 20 30 CFEDMM C=C[C@@H](C)O[N-]C(=O)Cc1c(C)nc([C@@H](C)CC)nc1C ZINC000848245700 633223013 /nfs/dbraw/zinc/22/30/13/633223013.db2.gz NKZZWSSJXLLTBE-WDEREUQCSA-N -1 1 291.395 2.772 20 30 CFEDMM C=C(C)CO[N-]C(=O)Cc1c(C)nc([C@@H](C)CC)nc1C ZINC000848246459 633223866 /nfs/dbraw/zinc/22/38/66/633223866.db2.gz ZQGXLLZPAPTZOH-NSHDSACASA-N -1 1 291.395 2.773 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccnn2CC2CC2)c1 ZINC000849245610 633589142 /nfs/dbraw/zinc/58/91/42/633589142.db2.gz ARAOIHWYSCNTCA-GQCTYLIASA-N -1 1 298.342 2.903 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2c(C3CC3)cnn2C)c1 ZINC000849246558 633589798 /nfs/dbraw/zinc/58/97/98/633589798.db2.gz IJHWMSRDNKLSHI-SOFGYWHQSA-N -1 1 298.342 2.908 20 30 CFEDMM COc1ccc([O-])c(C(=O)/C=C/c2cn(C3CCC3)nn2)c1 ZINC000849246649 633590056 /nfs/dbraw/zinc/59/00/56/633590056.db2.gz JRKQJVDOMBPUQP-FNORWQNLSA-N -1 1 299.330 2.613 20 30 CFEDMM COCCCON=Cc1ccc(Br)cc1[O-] ZINC000853345598 634978128 /nfs/dbraw/zinc/97/81/28/634978128.db2.gz FJCHFXFMGHKOJM-UHFFFAOYSA-N -1 1 288.141 2.542 20 30 CFEDMM COc1c([O-])c(C=NN2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000853380464 634988170 /nfs/dbraw/zinc/98/81/70/634988170.db2.gz UGBWZVZYGRTKEV-SNVBAGLBSA-N -1 1 293.323 2.517 20 30 CFEDMM C#C[C@@](C)(CC)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000854702624 635375313 /nfs/dbraw/zinc/37/53/13/635375313.db2.gz UNVUAUYXPIWBHS-ZDUSSCGKSA-N -1 1 285.265 2.943 20 30 CFEDMM N#CCOc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000048638672 650273415 /nfs/dbraw/zinc/27/34/15/650273415.db2.gz SLWICWOSVWMCIM-JXMROGBWSA-N -1 1 276.342 2.918 20 30 CFEDMM CCCCCCCNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000862358621 637332782 /nfs/dbraw/zinc/33/27/82/637332782.db2.gz PHJQIGWVYFAVMW-UHFFFAOYSA-N -1 1 297.424 2.913 20 30 CFEDMM Cc1cccc(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)n1 ZINC000863161064 637575394 /nfs/dbraw/zinc/57/53/94/637575394.db2.gz WKQAYOGIZMPYFF-UHFFFAOYSA-N -1 1 293.330 2.515 20 30 CFEDMM C=C(C)C[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000864530758 638014577 /nfs/dbraw/zinc/01/45/77/638014577.db2.gz LMEOQOQKJHZIFZ-ZDUSSCGKSA-N -1 1 259.305 2.942 20 30 CFEDMM Cn1nc2c(c1/C=C1\Cc3cc([O-])ccc3C1=O)CCCC2 ZINC000865222844 638227319 /nfs/dbraw/zinc/22/73/19/638227319.db2.gz BIMWBROPKJXRGG-ZRDIBKRKSA-N -1 1 294.354 2.827 20 30 CFEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1cccnc1 ZINC000206809108 638891859 /nfs/dbraw/zinc/89/18/59/638891859.db2.gz APLYUVRHDFZRPO-JYRVWZFOSA-N -1 1 251.285 3.000 20 30 CFEDMM CCCCCCCCCS(=O)(=O)c1n[n-]c(CC)n1 ZINC000191053792 650475777 /nfs/dbraw/zinc/47/57/77/650475777.db2.gz OSDOIEVAKIXNCM-UHFFFAOYSA-N -1 1 287.429 2.891 20 30 CFEDMM CC#CCCOC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869737049 639373864 /nfs/dbraw/zinc/37/38/64/639373864.db2.gz ZJCNXZNGWHJIMH-UHFFFAOYSA-N -1 1 252.697 2.545 20 30 CFEDMM CC[C@H](CC(F)F)C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870689719 639772610 /nfs/dbraw/zinc/77/26/10/639772610.db2.gz AHGTVKWMNLLAIT-SNVBAGLBSA-N -1 1 268.263 2.650 20 30 CFEDMM CCC[C@@H]1C[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)CCO1 ZINC000870691296 639773783 /nfs/dbraw/zinc/77/37/83/639773783.db2.gz IGCAXOMYHXVJFT-UONOGXRCSA-N -1 1 288.347 2.564 20 30 CFEDMM CCCC(=NNc1nc(C)cc(=O)[n-]1)c1cc(C)ccn1 ZINC000872324302 641756779 /nfs/dbraw/zinc/75/67/79/641756779.db2.gz PKGKQFMPTLRDNQ-UHFFFAOYSA-N -1 1 285.351 2.810 20 30 CFEDMM Cc1cc(=O)[n-]c(N=NCC2([C@H]3CCCCO3)CCC2)n1 ZINC000872324296 641756791 /nfs/dbraw/zinc/75/67/91/641756791.db2.gz PDDCIOCSNZITOS-GFCCVEGCSA-N -1 1 290.367 2.628 20 30 CFEDMM C=CCCN(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395519 642852670 /nfs/dbraw/zinc/85/26/70/642852670.db2.gz KNPLDJYMFZWDJT-UHFFFAOYSA-N -1 1 268.744 2.763 20 30 CFEDMM CC#CCCCC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266808 646940361 /nfs/dbraw/zinc/94/03/61/646940361.db2.gz ZQRMZFAVLQZWQI-UHFFFAOYSA-N -1 1 281.302 2.523 20 30 CFEDMM C=CCCCC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266644 646940665 /nfs/dbraw/zinc/94/06/65/646940665.db2.gz TXERQJILWNSKIZ-UHFFFAOYSA-N -1 1 269.291 2.685 20 30 CFEDMM C#CCC1(NC(=O)c2ccc([O-])cc2F)CCCCC1 ZINC000886654622 647090795 /nfs/dbraw/zinc/09/07/95/647090795.db2.gz IDULVGRSUJMHOT-UHFFFAOYSA-N -1 1 275.323 2.987 20 30 CFEDMM N#Cc1c([O-])ccc(OC(C2CC2)C2CC2)c1C#N ZINC001227618805 777859950 /nfs/dbraw/zinc/85/99/50/777859950.db2.gz NKNDPAXHLFILNQ-UHFFFAOYSA-N -1 1 254.289 2.703 20 30 CFEDMM O=C1CC(Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)C1 ZINC001167344331 770327334 /nfs/dbraw/zinc/32/73/34/770327334.db2.gz GFGMEODYRHRPQV-OMCISZLKSA-N -1 1 272.226 2.657 20 30 CFEDMM CCCCCCC[C@@H](C)OCC[P@](=O)([O-])O ZINC001224603824 775224518 /nfs/dbraw/zinc/22/45/18/775224518.db2.gz BXHPXSGSCMNPIA-LLVKDONJSA-N -1 1 252.291 2.930 20 30 CFEDMM Cc1cc([O-])c(C(=O)C=Cc2sccc2Cl)c(=O)o1 ZINC000588601444 775268174 /nfs/dbraw/zinc/26/81/74/775268174.db2.gz MLQNVFHQQNYWHV-ZZKXABKFSA-N -1 1 296.731 2.630 20 30 CFEDMM [O-]/N=C/c1cccc(OC[C@@H]2COc3cscc3O2)c1 ZINC001226115428 775704099 /nfs/dbraw/zinc/70/40/99/775704099.db2.gz DDRPKYYWQUAHNT-UHFUPMITSA-N -1 1 291.328 2.775 20 30 CFEDMM C=C[C@@H](CCCC)Oc1[n-]c(=S)ncc1OC ZINC001226245525 775752940 /nfs/dbraw/zinc/75/29/40/775752940.db2.gz KGQNWDJPOLKLMX-VIFPVBQESA-N -1 1 254.355 2.898 20 30 CFEDMM COc1ccc([C@H](C)Oc2nccc(/C=N/[O-])n2)c(F)c1 ZINC001226256717 775758009 /nfs/dbraw/zinc/75/80/09/775758009.db2.gz VSIIHMRINBJFGC-PCYPHTAMSA-N -1 1 291.282 2.572 20 30 CFEDMM C[C@@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccccn1 ZINC001227617292 776245382 /nfs/dbraw/zinc/24/53/82/776245382.db2.gz CIOTYNJAAOLOSY-SNVBAGLBSA-N -1 1 265.272 2.671 20 30 CFEDMM N#Cc1ccc([O-])cc1O[C@@H]1COCc2ccccc21 ZINC001228006451 776359158 /nfs/dbraw/zinc/35/91/58/776359158.db2.gz BWXICFJHQHHBTD-MRXNPFEDSA-N -1 1 267.284 2.914 20 30 CFEDMM CSc1nc(O[C@H](C)CC(C)(C)S)cc(=O)[n-]1 ZINC001228093630 776393451 /nfs/dbraw/zinc/39/34/51/776393451.db2.gz BQTDNPFOPQCANM-SSDOTTSWSA-N -1 1 274.411 2.770 20 30 CFEDMM C#C[C@@H]1CCC[C@@H]1Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228553759 776518502 /nfs/dbraw/zinc/51/85/02/776518502.db2.gz DIKXHKZPPLEINT-YGRLFVJLSA-N -1 1 274.316 2.871 20 30 CFEDMM C#C[C@@H](Oc1cnnc(=S)[n-]1)[C@@H](CC)CCCC ZINC001228642814 776550386 /nfs/dbraw/zinc/55/03/86/776550386.db2.gz VNWMSVFZWVWKBY-WDEREUQCSA-N -1 1 265.382 2.757 20 30 CFEDMM C#C[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)C(C)C ZINC001229131456 776727191 /nfs/dbraw/zinc/72/71/91/776727191.db2.gz JUTRQTQLHVVOHZ-GFCCVEGCSA-N -1 1 258.273 2.535 20 30 CFEDMM C#CC[C@H](CC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134733 776728124 /nfs/dbraw/zinc/72/81/24/776728124.db2.gz JNQRPKQUWHURAZ-NSHDSACASA-N -1 1 258.273 2.679 20 30 CFEDMM CC[C@@H]1OC(=O)C(Oc2ccccc2/C(C)=N/[O-])=C1C ZINC001229737374 776884321 /nfs/dbraw/zinc/88/43/21/776884321.db2.gz WHJHDFPESZHLGP-SEJMYLSOSA-N -1 1 275.304 2.873 20 30 CFEDMM C=CCS(=O)(=O)[N-]c1cc(Cl)cc2cccnc21 ZINC000710936861 777144647 /nfs/dbraw/zinc/14/46/47/777144647.db2.gz AROMXEAMGOFZTQ-UHFFFAOYSA-N -1 1 282.752 2.816 20 30 CFEDMM C#C[C@@H](CCCCC)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259361 777179236 /nfs/dbraw/zinc/17/92/36/777179236.db2.gz KIZMQRVAKVODSE-NSHDSACASA-N -1 1 278.308 2.965 20 30 CFEDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)CC(C)(C)S)n1 ZINC001231264059 777180430 /nfs/dbraw/zinc/18/04/30/777180430.db2.gz OIPVDXDRCARMQA-QMMMGPOBSA-N -1 1 286.353 2.870 20 30 CFEDMM N#CC[C@@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232973099 777749212 /nfs/dbraw/zinc/74/92/12/777749212.db2.gz MNNXWUCULXCNKP-JTQLQIEISA-N -1 1 266.291 2.796 20 30 CFEDMM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc([O-])c(F)c(F)c1 ZINC001232972964 777749850 /nfs/dbraw/zinc/74/98/50/777749850.db2.gz ILRLNPDOFVTUDH-WLLOZRIZSA-N -1 1 278.302 2.937 20 30 CFEDMM Cc1nc([C@@H]2CCCCN2Cc2ccc(C#N)cc2[O-])no1 ZINC001233386337 777927831 /nfs/dbraw/zinc/92/78/31/777927831.db2.gz PSSMJUOZXLLWBR-AWEZNQCLSA-N -1 1 298.346 2.683 20 30 CFEDMM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCc2cccnc21 ZINC001233802854 778081838 /nfs/dbraw/zinc/08/18/38/778081838.db2.gz JHOMCBCGPXJQDE-YFEUJDIGSA-N -1 1 284.315 2.965 20 30 CFEDMM C#C[C@H]1CCC[C@H]1Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234043965 778151176 /nfs/dbraw/zinc/15/11/76/778151176.db2.gz HEVVDHKPBYQLJZ-GXFFZTMASA-N -1 1 284.315 2.530 20 30 CFEDMM C=CC[C@@H](C=C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234046081 778151958 /nfs/dbraw/zinc/15/19/58/778151958.db2.gz XXXWIGXUXWWYIP-SNVBAGLBSA-N -1 1 272.304 2.859 20 30 CFEDMM CC#CC[C@@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234478216 778235058 /nfs/dbraw/zinc/23/50/58/778235058.db2.gz YIMXLBNMDGEBPZ-LLVKDONJSA-N -1 1 262.305 2.871 20 30 CFEDMM CC(C)CCOC(=O)[C@@H](C)Oc1ccccc1C=N[O-] ZINC001234820815 778302365 /nfs/dbraw/zinc/30/23/65/778302365.db2.gz YUALJLVYQTWOQH-GFCCVEGCSA-N -1 1 279.336 2.851 20 30 CFEDMM COc1ccc(C#N)c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235908667 778605460 /nfs/dbraw/zinc/60/54/60/778605460.db2.gz IAEWCVBTDUYLRZ-UHFFFAOYSA-N -1 1 260.680 2.988 20 30 CFEDMM O=C1CC(CNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)C1 ZINC001168398105 778789295 /nfs/dbraw/zinc/78/92/95/778789295.db2.gz JOMIYGBKEVOYON-CNHKJKLMSA-N -1 1 286.253 2.905 20 30 CFEDMM N#CC1CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794908 778941363 /nfs/dbraw/zinc/94/13/63/778941363.db2.gz WLDXEIRVAKPTTB-UHFFFAOYSA-N -1 1 257.120 2.654 20 30 CFEDMM CNc1ccc(-c2ccc(/C=N/[O-])c(F)c2)c(F)n1 ZINC001239428986 779562018 /nfs/dbraw/zinc/56/20/18/779562018.db2.gz MIJVVRJTNBWDGH-REZTVBANSA-N -1 1 263.247 2.877 20 30 CFEDMM N#Cc1nc2[nH]ccc2cc1-c1cc(F)ccc1[O-] ZINC001240698183 780369622 /nfs/dbraw/zinc/36/96/22/780369622.db2.gz JEGLNNUEHYXKGN-UHFFFAOYSA-N -1 1 253.236 2.898 20 30 CFEDMM [O-]/N=C/c1ccc(F)c(C2=CCC3(CC2)OCCO3)c1 ZINC001240707271 780378782 /nfs/dbraw/zinc/37/87/82/780378782.db2.gz WNRXXJJGIOZWIN-LICLKQGHSA-N -1 1 277.295 2.944 20 30 CFEDMM Cc1ccc(C(=O)[O-])cc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001240999311 780582526 /nfs/dbraw/zinc/58/25/26/780582526.db2.gz KWUYCZJMGAZFDD-UHFFFAOYSA-N -1 1 278.271 2.503 20 30 CFEDMM N#Cc1c[nH]c2ccnc(-c3ccc(F)c(C(=O)[O-])c3)c12 ZINC001241244552 780728714 /nfs/dbraw/zinc/72/87/14/780728714.db2.gz PDGVJGCLDGYOTK-UHFFFAOYSA-N -1 1 281.246 2.939 20 30 CFEDMM CCOC(=O)c1nc2ccc(-c3cncc(C#N)c3)cc2[n-]1 ZINC001242275640 781359664 /nfs/dbraw/zinc/35/96/64/781359664.db2.gz RCSQAVOUSNIOFG-UHFFFAOYSA-N -1 1 292.298 2.673 20 30 CFEDMM CCOC(=O)c1nc2cc(-c3cncc(C#N)c3)ccc2[n-]1 ZINC001242275640 781359670 /nfs/dbraw/zinc/35/96/70/781359670.db2.gz RCSQAVOUSNIOFG-UHFFFAOYSA-N -1 1 292.298 2.673 20 30 CFEDMM CSc1nc2[nH]ccc2c(-c2ccc([O-])c(C#N)c2)n1 ZINC001242561593 781599495 /nfs/dbraw/zinc/59/94/95/781599495.db2.gz AJTMBODBLJPNJC-UHFFFAOYSA-N -1 1 282.328 2.876 20 30 CFEDMM N#Cc1cc(-c2ncc3c(n2)CCCC3)ccc1[O-] ZINC001242562575 781600352 /nfs/dbraw/zinc/60/03/52/781600352.db2.gz CDFAYVJILSPERL-UHFFFAOYSA-N -1 1 251.289 2.600 20 30 CFEDMM Cc1nc2ccoc2c(-c2ccc([O-])c(C#N)c2)n1 ZINC001242562413 781600470 /nfs/dbraw/zinc/60/04/70/781600470.db2.gz XGKYVRHYUODBHZ-UHFFFAOYSA-N -1 1 251.245 2.776 20 30 CFEDMM COc1ccc2c(c1)ncnc2-c1ccc([O-])c(C#N)c1 ZINC001242562711 781601069 /nfs/dbraw/zinc/60/10/69/781601069.db2.gz IXTWHYZGPUHROR-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM COc1ccc2nc(-c3ccc([O-])c(C#N)c3)cnc2c1 ZINC001242562682 781601694 /nfs/dbraw/zinc/60/16/94/781601694.db2.gz HGRKUBLDHLDZEE-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM CCOC(=O)c1cc(C)nc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242562694 781601780 /nfs/dbraw/zinc/60/17/80/781601780.db2.gz HYVDYEKDNXJOSL-UHFFFAOYSA-N -1 1 282.299 2.811 20 30 CFEDMM COc1ncnc2ccc(-c3ccc([O-])c(C#N)c3)cc21 ZINC001242564377 781602931 /nfs/dbraw/zinc/60/29/31/781602931.db2.gz ZSLJJINIGKWQPI-UHFFFAOYSA-N -1 1 277.283 2.883 20 30 CFEDMM COC(=O)c1nc2c(cccc2-c2ccc([O-])c(C#N)c2)o1 ZINC001242565468 781605028 /nfs/dbraw/zinc/60/50/28/781605028.db2.gz GFEMITJOAAQKOG-UHFFFAOYSA-N -1 1 294.266 2.859 20 30 CFEDMM CCOC(=O)c1cc(C)c(-c2ccc([O-])c(C#N)c2)cn1 ZINC001242566042 781605178 /nfs/dbraw/zinc/60/51/78/781605178.db2.gz GKNNYCQMPWILDI-UHFFFAOYSA-N -1 1 282.299 2.811 20 30 CFEDMM N#Cc1cc(-c2cncc(C(=O)N3CCCC3)c2)ccc1[O-] ZINC001242565556 781605344 /nfs/dbraw/zinc/60/53/44/781605344.db2.gz JVQKZDIMTFHAMI-UHFFFAOYSA-N -1 1 293.326 2.562 20 30 CFEDMM CN1Cc2c(cccc2-c2ccc([O-])c(C#N)c2)NC1=O ZINC001242566985 781606097 /nfs/dbraw/zinc/60/60/97/781606097.db2.gz NYSWZLHIDROIST-UHFFFAOYSA-N -1 1 279.299 2.908 20 30 CFEDMM CC1(C)C(=O)NCc2cccc(-c3ccc([O-])c(C#N)c3)c21 ZINC001242566464 781606460 /nfs/dbraw/zinc/60/64/60/781606460.db2.gz APZNJYLDJHLTKI-UHFFFAOYSA-N -1 1 292.338 2.838 20 30 CFEDMM O=c1[nH]cc(-c2cc(C=N[O-])ccc2F)cc1F ZINC001242616725 781644956 /nfs/dbraw/zinc/64/49/56/781644956.db2.gz YZDRYXLMCZEMMU-FZSIALSZSA-N -1 1 250.204 2.541 20 30 CFEDMM COc1nccc(-c2cc(/C=N/[O-])ccc2F)c1OC ZINC001242960760 781879155 /nfs/dbraw/zinc/87/91/55/781879155.db2.gz QUWZWFGOMADURS-CAOOACKPSA-N -1 1 276.267 2.713 20 30 CFEDMM O=C(CCc1nccs1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000055192913 346584411 /nfs/dbraw/zinc/58/44/11/346584411.db2.gz RKODRRDPQSBYOT-UHFFFAOYSA-N -1 1 291.258 2.501 20 30 CFEDMM N#C[C@@]1(NC(=O)c2ccc3ccccc3c2[O-])CCSC1 ZINC000124535353 347824948 /nfs/dbraw/zinc/82/49/48/347824948.db2.gz SPHARDIEVSMPMF-INIZCTEOSA-N -1 1 298.367 2.674 20 30 CFEDMM N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC000153514099 347973230 /nfs/dbraw/zinc/97/32/30/347973230.db2.gz YJUGHHJTDZIUSU-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM CC(C)[C@@H](C#N)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000588067087 348769981 /nfs/dbraw/zinc/76/99/81/348769981.db2.gz MQVIEDIBOZVLMF-SNVBAGLBSA-N -1 1 286.253 2.689 20 30 CFEDMM C[C@H](CCc1ccco1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589158442 348814246 /nfs/dbraw/zinc/81/42/46/348814246.db2.gz TVJYSZITTNFHNF-LLVKDONJSA-N -1 1 284.315 2.608 20 30 CFEDMM C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589156733 348814297 /nfs/dbraw/zinc/81/42/97/348814297.db2.gz RFAZICKXBBQWBW-LBPRGKRZSA-N -1 1 280.327 2.797 20 30 CFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(C#N)cc1 ZINC000589168059 348814933 /nfs/dbraw/zinc/81/49/33/348814933.db2.gz VMZQLQUQYDUPGW-NSHDSACASA-N -1 1 291.310 2.627 20 30 CFEDMM COc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccc1C ZINC000589170124 348815025 /nfs/dbraw/zinc/81/50/25/348815025.db2.gz JHTRNAIPGMTXKV-UHFFFAOYSA-N -1 1 296.326 2.511 20 30 CFEDMM C[C@H]1CCCC[C@H]1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589170877 348815158 /nfs/dbraw/zinc/81/51/58/348815158.db2.gz HJEWKYICQKTZQU-AAEUAGOBSA-N -1 1 272.348 2.820 20 30 CFEDMM C[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)[C@H]1C ZINC000589183915 348816874 /nfs/dbraw/zinc/81/68/74/348816874.db2.gz QFIUIZHHHYQHPV-MNOVXSKESA-N -1 1 258.321 2.524 20 30 CFEDMM CCC[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589189364 348818099 /nfs/dbraw/zinc/81/80/99/348818099.db2.gz SYCBWEVALFLJTF-GFCCVEGCSA-N -1 1 272.348 2.916 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N(CC(F)F)CC2CCC2)c1 ZINC000589196016 348818959 /nfs/dbraw/zinc/81/89/59/348818959.db2.gz SFOKAJDQEBOWMD-UHFFFAOYSA-N -1 1 294.301 2.771 20 30 CFEDMM C[C@H](C1CC1)n1cc(NC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000589208169 348820058 /nfs/dbraw/zinc/82/00/58/348820058.db2.gz ZETLXPRCTSLJDK-SNVBAGLBSA-N -1 1 296.330 2.684 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CC(c3ccccc3F)C2)c1 ZINC000589731531 348853528 /nfs/dbraw/zinc/85/35/28/348853528.db2.gz ANTWFMBKTMNBOW-UHFFFAOYSA-N -1 1 296.301 2.643 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCC(C3CC3)CC2)cc1[O-] ZINC000590426208 348899993 /nfs/dbraw/zinc/89/99/93/348899993.db2.gz PPMJWSCWBGKQRP-UHFFFAOYSA-N -1 1 270.332 2.526 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCCCC2(F)F)c1 ZINC000590767431 348945664 /nfs/dbraw/zinc/94/56/64/348945664.db2.gz KCGQUEBSOXSCHA-GFCCVEGCSA-N -1 1 294.301 2.819 20 30 CFEDMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000590771214 348946232 /nfs/dbraw/zinc/94/62/32/348946232.db2.gz VPCJYPYWZIABJI-CHWSQXEVSA-N -1 1 272.348 2.820 20 30 CFEDMM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)[C@H](C)C1 ZINC000591802615 349045393 /nfs/dbraw/zinc/04/53/93/349045393.db2.gz WHAMKGONFLMDPH-GHMZBOCLSA-N -1 1 258.321 2.524 20 30 CFEDMM C[C@H]1CCC(C)(C)N1C(=O)c1cc([O-])cc(C#N)c1 ZINC000597754125 350132097 /nfs/dbraw/zinc/13/20/97/350132097.db2.gz YUCXRBAZQKNNIC-JTQLQIEISA-N -1 1 258.321 2.667 20 30 CFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(c3ccco3)CC2)c1 ZINC000597926686 350158877 /nfs/dbraw/zinc/15/88/77/350158877.db2.gz XRIPAUYOHLYABS-UHFFFAOYSA-N -1 1 296.326 2.877 20 30 CFEDMM CCC(C)(C)[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000597953232 350161887 /nfs/dbraw/zinc/16/18/87/350161887.db2.gz CNLIEXULJOZIHC-JTQLQIEISA-N -1 1 260.337 2.818 20 30 CFEDMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H](C)C#N ZINC000598359696 350247899 /nfs/dbraw/zinc/24/78/99/350247899.db2.gz XGMTXKHYIGTLFB-MRVPVSSYSA-N -1 1 286.253 2.785 20 30 CFEDMM N#CC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCCC1 ZINC000601025623 350647188 /nfs/dbraw/zinc/64/71/88/350647188.db2.gz FVHNWELXGZZYHE-UHFFFAOYSA-N -1 1 292.766 2.931 20 30 CFEDMM N#C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C1CC1 ZINC000601077313 350660219 /nfs/dbraw/zinc/66/02/19/350660219.db2.gz QDKFLPKAADWOAX-LURJTMIESA-N -1 1 275.255 2.595 20 30 CFEDMM Cc1nc(SCc2ccc(C#N)cn2)[n-]c(=O)c1C1CC1 ZINC000601087817 350665051 /nfs/dbraw/zinc/66/50/51/350665051.db2.gz IFSZIICVQLELOX-UHFFFAOYSA-N -1 1 298.371 2.927 20 30 CFEDMM C[C@@H]1CCc2[n-]n(Cc3ccc(C#N)cc3)c(=O)c2C1 ZINC000601947428 350814564 /nfs/dbraw/zinc/81/45/64/350814564.db2.gz RRQNHEPWHMIJRY-RISCZKNCSA-N -1 1 267.332 2.693 20 30 CFEDMM C[C@@H]1CCc2[n-]n(-c3ccc(C#N)c(Cl)c3)c(=O)c21 ZINC000601950046 350816913 /nfs/dbraw/zinc/81/69/13/350816913.db2.gz STYQMADGDXTOKZ-OQPBUACISA-N -1 1 273.723 2.960 20 30 CFEDMM CCc1c(C(C)C)[n-]n(-c2cccc(C#N)c2)c1=O ZINC000601933512 350806648 /nfs/dbraw/zinc/80/66/48/350806648.db2.gz ZYCSWRBJBQTDJS-CYBMUJFWSA-N -1 1 255.321 2.943 20 30 CFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)c(F)c1 ZINC000610056415 351532751 /nfs/dbraw/zinc/53/27/51/351532751.db2.gz RIGVAJQAXBMPHQ-UHFFFAOYSA-N -1 1 294.282 2.637 20 30 CFEDMM C[C@@]1(C#N)CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000612371271 351810280 /nfs/dbraw/zinc/81/02/80/351810280.db2.gz ZPRGGENJGPCSBO-AWEZNQCLSA-N -1 1 278.739 2.811 20 30 CFEDMM COc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1F ZINC000614892458 352129811 /nfs/dbraw/zinc/12/98/11/352129811.db2.gz LUBVCHNGAGEHQG-UHFFFAOYSA-N -1 1 286.262 2.664 20 30 CFEDMM CCN(Cc1cccs1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295281 352077191 /nfs/dbraw/zinc/07/71/91/352077191.db2.gz CKWIFZVJDJCEQH-UHFFFAOYSA-N -1 1 286.356 2.988 20 30 CFEDMM CCOc1ccccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000614296963 352077198 /nfs/dbraw/zinc/07/71/98/352077198.db2.gz BYLTZZMBUGGENY-UHFFFAOYSA-N -1 1 296.326 2.593 20 30 CFEDMM C[C@@H](C1CC1)n1nccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614368282 352085740 /nfs/dbraw/zinc/08/57/40/352085740.db2.gz JJHKGAGDMZQQAQ-JTQLQIEISA-N -1 1 296.330 2.684 20 30 CFEDMM CCC(CC)(CC)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614370174 352086096 /nfs/dbraw/zinc/08/60/96/352086096.db2.gz ZKUODGMWZWPSDF-UHFFFAOYSA-N -1 1 260.337 2.962 20 30 CFEDMM CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nccs1 ZINC000614369608 352086325 /nfs/dbraw/zinc/08/63/25/352086325.db2.gz AFCVPSGPCDPUFP-GFCCVEGCSA-N -1 1 287.344 2.601 20 30 CFEDMM CCC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccn1 ZINC000615428174 352192401 /nfs/dbraw/zinc/19/24/01/352192401.db2.gz DHFKCFOSZDGCSJ-OAHLLOKOSA-N -1 1 295.342 2.930 20 30 CFEDMM COc1cc(C(=O)N[C@H](C#N)CC(C)C)cc(Cl)c1[O-] ZINC000615428273 352192613 /nfs/dbraw/zinc/19/26/13/352192613.db2.gz LHESDNXJYGXJEZ-JTQLQIEISA-N -1 1 296.754 2.722 20 30 CFEDMM C=CC[C@H]1CCCN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000617781838 352645077 /nfs/dbraw/zinc/64/50/77/352645077.db2.gz UKCYEWDPHNGYEH-LBPRGKRZSA-N -1 1 260.337 2.524 20 30 CFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccsc1 ZINC000619777543 353065797 /nfs/dbraw/zinc/06/57/97/353065797.db2.gz HEFQXQVTOJQCLY-SECBINFHSA-N -1 1 272.329 2.816 20 30 CFEDMM C=CC(C)(C)CC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000625327543 354023438 /nfs/dbraw/zinc/02/34/38/354023438.db2.gz FYHJAQOYYOPKLF-UHFFFAOYSA-N -1 1 289.347 2.845 20 30 CFEDMM C=C(C)CN(CC)C(=O)c1ncc2ccccc2c1[O-] ZINC000666259348 540226160 /nfs/dbraw/zinc/22/61/60/540226160.db2.gz WLFFHABNGJAKSY-UHFFFAOYSA-N -1 1 270.332 2.979 20 30 CFEDMM COC(=O)c1cc(C#N)ccc1-c1ccc(F)c([O-])c1 ZINC001243049341 781954407 /nfs/dbraw/zinc/95/44/07/781954407.db2.gz LNKWJFZRKAGZKN-UHFFFAOYSA-N -1 1 271.247 2.857 20 30 CFEDMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442938462 241022903 /nfs/dbraw/zinc/02/29/03/241022903.db2.gz ABLDXPCKYYKQIW-MRXNPFEDSA-N -1 1 292.338 2.990 20 30 CFEDMM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000452048163 243024281 /nfs/dbraw/zinc/02/42/81/243024281.db2.gz OXFPVDPXMVXHOS-NSHDSACASA-N -1 1 296.392 2.646 20 30 CFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCC2CCCCC2)o1 ZINC000330661782 203089693 /nfs/dbraw/zinc/08/96/93/203089693.db2.gz CKHJFQDJSQPGBD-UHFFFAOYSA-N -1 1 296.392 2.790 20 30 CFEDMM CC(C)CC1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCC1 ZINC000331976207 204354967 /nfs/dbraw/zinc/35/49/67/204354967.db2.gz MNVQCAGRHSAICG-UHFFFAOYSA-N -1 1 296.392 2.646 20 30 CFEDMM CC(=O)c1cccc(NC(=O)c2ccc(C#N)cc2)c1[O-] ZINC000571785166 383726856 /nfs/dbraw/zinc/72/68/56/383726856.db2.gz GPOPDBYLDRIZKT-UHFFFAOYSA-N -1 1 280.283 2.719 20 30 CFEDMM N#Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1[O-] ZINC000329658738 378475679 /nfs/dbraw/zinc/47/56/79/378475679.db2.gz NLXCFTFSDJSZEX-OAHLLOKOSA-N -1 1 282.343 2.669 20 30 CFEDMM N#CCCC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000335501938 379411410 /nfs/dbraw/zinc/41/14/10/379411410.db2.gz SPYGXUGZPQQOPS-UHFFFAOYSA-N -1 1 294.301 2.826 20 30 CFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2occ(C)c2c1 ZINC000335202200 379999844 /nfs/dbraw/zinc/99/98/44/379999844.db2.gz CEADQZSBGUPRAS-NSHDSACASA-N -1 1 278.333 2.785 20 30 CFEDMM C=CCCCCN=c1nc(C(F)(F)F)[n-]s1 ZINC000336645868 380582556 /nfs/dbraw/zinc/58/25/56/380582556.db2.gz DGXCYKGJMLBBTH-UHFFFAOYSA-N -1 1 251.277 2.747 20 30 CFEDMM C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1(C)C ZINC000408434613 380925938 /nfs/dbraw/zinc/92/59/38/380925938.db2.gz ZLMOABMHRRWXHX-NSHDSACASA-N -1 1 272.348 2.772 20 30 CFEDMM C=CCCCCCN(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000287650939 380897471 /nfs/dbraw/zinc/89/74/71/380897471.db2.gz OEENQEKHMRDLCZ-UHFFFAOYSA-N -1 1 275.348 2.780 20 30 CFEDMM C=CCCN(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000341380844 380979964 /nfs/dbraw/zinc/97/99/64/380979964.db2.gz PDSWDOQIKKIJCJ-UHFFFAOYSA-N -1 1 284.363 2.873 20 30 CFEDMM Cc1ccc(C([O-])=C(C#N)c2ccncn2)cc1Cl ZINC000354457369 381282845 /nfs/dbraw/zinc/28/28/45/381282845.db2.gz AQOIUOYYDIHMRY-LLVKDONJSA-N -1 1 271.707 2.929 20 30 CFEDMM Cc1ccc(C([O-])=C(C#N)c2ccncn2)cc1Cl ZINC000354457370 381282977 /nfs/dbraw/zinc/28/29/77/381282977.db2.gz AQOIUOYYDIHMRY-NSHDSACASA-N -1 1 271.707 2.929 20 30 CFEDMM CCCC[C@H](CC)C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344210863 382200717 /nfs/dbraw/zinc/20/07/17/382200717.db2.gz DAUHFNBVVONGKF-NSHDSACASA-N -1 1 284.381 2.646 20 30 CFEDMM CCc1cc(=O)[n-]c(SCC#Cc2ccc(F)cc2)n1 ZINC000188090882 382342877 /nfs/dbraw/zinc/34/28/77/382342877.db2.gz NBFCEPLFJVUZJU-UHFFFAOYSA-N -1 1 288.347 2.615 20 30 CFEDMM CCc1cc(=O)[n-]c(SCc2cc(C#N)ccc2F)n1 ZINC000188111687 382346802 /nfs/dbraw/zinc/34/68/02/382346802.db2.gz ZBXPOQJVWDCQMV-UHFFFAOYSA-N -1 1 289.335 2.635 20 30 CFEDMM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188612557 382443093 /nfs/dbraw/zinc/44/30/93/382443093.db2.gz NXDRVRKYLMUUJL-JSGCOSHPSA-N -1 1 290.388 2.668 20 30 CFEDMM CC(C)CC1(CNC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188728979 382465809 /nfs/dbraw/zinc/46/58/09/382465809.db2.gz AGWBAERHYNHODC-UHFFFAOYSA-N -1 1 272.348 2.820 20 30 CFEDMM CC(C)C(C)(C)CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000189269385 382578872 /nfs/dbraw/zinc/57/88/72/382578872.db2.gz AFZBCRQODODKEX-UHFFFAOYSA-N -1 1 260.337 2.676 20 30 CFEDMM CC#CCCCC(=O)Nc1nc(Br)ccc1[O-] ZINC000189982258 382648555 /nfs/dbraw/zinc/64/85/55/382648555.db2.gz AXHLPVPRRIOCJG-UHFFFAOYSA-N -1 1 297.152 2.682 20 30 CFEDMM CC(C)N(Cc1cccnc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442647788 382941019 /nfs/dbraw/zinc/94/10/19/382941019.db2.gz LSUCHUJWTLFJKD-UHFFFAOYSA-N -1 1 295.342 2.710 20 30 CFEDMM N#Cc1ccc(C(=O)N(CC(F)F)CC2CCC2)cc1[O-] ZINC000442665777 382943422 /nfs/dbraw/zinc/94/34/22/382943422.db2.gz NXHDMCRCUFYINQ-UHFFFAOYSA-N -1 1 294.301 2.771 20 30 CFEDMM CCc1cc(=O)[n-]c(SCC(C)(C)CC#N)n1 ZINC000567368535 383268883 /nfs/dbraw/zinc/26/88/83/383268883.db2.gz ZHVGCPDWGCUDPV-UHFFFAOYSA-N -1 1 251.355 2.777 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000427753202 383415672 /nfs/dbraw/zinc/41/56/72/383415672.db2.gz OYRMXNKGCDEOFV-UHFFFAOYSA-N -1 1 291.376 2.785 20 30 CFEDMM C=CCOc1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000426688306 383409215 /nfs/dbraw/zinc/40/92/15/383409215.db2.gz PHYBQSLQNGHQDJ-UHFFFAOYSA-N -1 1 287.315 2.832 20 30 CFEDMM C=CCOc1cccc(CNCc2cc(C(=O)[O-])co2)c1 ZINC000426699223 383409729 /nfs/dbraw/zinc/40/97/29/383409729.db2.gz GRXVASDIVFENML-UHFFFAOYSA-N -1 1 287.315 2.832 20 30 CFEDMM C=CCCCS(=O)(=O)[N-]c1c[nH]nc1-c1ccccc1 ZINC000427778272 383416443 /nfs/dbraw/zinc/41/64/43/383416443.db2.gz IKPGGESWTBVVNU-UHFFFAOYSA-N -1 1 291.376 2.785 20 30 CFEDMM C=CCN(CCc1ccco1)C(=O)c1ncc(C)cc1[O-] ZINC000428032561 383419939 /nfs/dbraw/zinc/41/99/39/383419939.db2.gz OLVXQPSLVJGHSS-UHFFFAOYSA-N -1 1 286.331 2.560 20 30 CFEDMM CC1(C)C[C@]1(C#N)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436645531 383861255 /nfs/dbraw/zinc/86/12/55/383861255.db2.gz BCRWVNKTILMCBG-QGZVFWFLSA-N -1 1 280.327 2.967 20 30 CFEDMM C[C@H](C#N)CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436764884 383892646 /nfs/dbraw/zinc/89/26/46/383892646.db2.gz UTYXFXVYJFFLIZ-MRVPVSSYSA-N -1 1 286.253 2.643 20 30 CFEDMM CC(F)(F)C(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000289168972 197252029 /nfs/dbraw/zinc/25/20/29/197252029.db2.gz IWWKSFBJOJOIHB-UHFFFAOYSA-N -1 1 291.219 2.828 20 30 CFEDMM C#C[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(C)C ZINC000282328807 385284181 /nfs/dbraw/zinc/28/41/81/385284181.db2.gz YYMCJULUMFWMAX-LBPRGKRZSA-N -1 1 295.766 2.832 20 30 CFEDMM C=CCC1(C(=O)Nc2cc(C(=O)OC)ccc2[O-])CCC1 ZINC000282764758 385385851 /nfs/dbraw/zinc/38/58/51/385385851.db2.gz KTUZNPSCDOAEEP-UHFFFAOYSA-N -1 1 289.331 2.864 20 30 CFEDMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188542829 393565529 /nfs/dbraw/zinc/56/55/29/393565529.db2.gz GJCITFJAAABEPM-GHMZBOCLSA-N -1 1 258.321 2.667 20 30 CFEDMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000190987068 393587352 /nfs/dbraw/zinc/58/73/52/393587352.db2.gz OLUUHJZIOBCPKX-VXGBXAGGSA-N -1 1 272.348 2.820 20 30 CFEDMM Cc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000336074267 393717288 /nfs/dbraw/zinc/71/72/88/393717288.db2.gz OTKJJOLNINUSJF-UHFFFAOYSA-N -1 1 286.356 2.862 20 30 CFEDMM CC(C)(C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000416637111 393934264 /nfs/dbraw/zinc/93/42/64/393934264.db2.gz SYNRNTMEVZNDJW-VXGBXAGGSA-N -1 1 296.392 2.644 20 30 CFEDMM N#Cc1ccnc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000557182065 395031931 /nfs/dbraw/zinc/03/19/31/395031931.db2.gz IGMMKAJTSHLMQF-UHFFFAOYSA-N -1 1 273.679 2.565 20 30 CFEDMM CC1(C)CCCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000408430195 157398171 /nfs/dbraw/zinc/39/81/71/157398171.db2.gz QIWFIVIUARKLPC-UHFFFAOYSA-N -1 1 272.348 2.916 20 30 CFEDMM C[C@@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344551003 162065377 /nfs/dbraw/zinc/06/53/77/162065377.db2.gz CWAIBHDXLJUBBO-NEPJUHHUSA-N -1 1 296.392 2.646 20 30 CFEDMM CCC1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCCCC1 ZINC000344688474 162100107 /nfs/dbraw/zinc/10/01/07/162100107.db2.gz CAKZZZTUJREKML-UHFFFAOYSA-N -1 1 296.392 2.790 20 30 CFEDMM N#CCCCOc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000109042242 262132233 /nfs/dbraw/zinc/13/22/33/262132233.db2.gz JROYFWWSMCETNJ-UHFFFAOYSA-N -1 1 297.314 2.722 20 30 CFEDMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@]12CCOC2 ZINC000329741313 262375286 /nfs/dbraw/zinc/37/52/86/262375286.db2.gz ONFGUILICWMMAL-RNCFNFMXSA-N -1 1 251.257 2.546 20 30 CFEDMM C=C(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000452046776 263032881 /nfs/dbraw/zinc/03/28/81/263032881.db2.gz WWRVKFQNHUTHPL-UHFFFAOYSA-N -1 1 277.748 2.724 20 30 CFEDMM Cc1ccc([O-])c(C(=O)/C=C/c2cn(C(C)C)nn2)c1 ZINC000287197980 263101232 /nfs/dbraw/zinc/10/12/32/263101232.db2.gz LNFCKPNPBZLMAX-FNORWQNLSA-N -1 1 271.320 2.769 20 30 CFEDMM CCc1nc(C(=O)[N-]c2nnc(C(C)C)s2)co1 ZINC000330839821 264064926 /nfs/dbraw/zinc/06/49/26/264064926.db2.gz SGNYQOVBMODSDX-UHFFFAOYSA-N -1 1 266.326 2.848 20 30 CFEDMM Cc1cnc(C(=O)NC2(C(N)=O)CCCCC2)c([O-])c1 ZINC000331152696 264140134 /nfs/dbraw/zinc/14/01/34/264140134.db2.gz OOOCNJSLXWDYFU-UHFFFAOYSA-N -1 1 277.324 2.638 20 30 CFEDMM Cc1cnc(C(=O)NC(C)(C)c2nccs2)c([O-])c1 ZINC000331167161 264145099 /nfs/dbraw/zinc/14/50/99/264145099.db2.gz DZAHVTBAXYDGRQ-UHFFFAOYSA-N -1 1 277.349 2.792 20 30 CFEDMM COc1cc(C(=O)N[C@@]2(C)CCCOC2)cc(Cl)c1[O-] ZINC000331293588 264197880 /nfs/dbraw/zinc/19/78/80/264197880.db2.gz XUSMCIKUZMRZRY-AWEZNQCLSA-N -1 1 299.754 2.928 20 30 CFEDMM C=C[C@@H](C)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000357988813 266393833 /nfs/dbraw/zinc/39/38/33/266393833.db2.gz NBDCBOSWYXIPKO-MRVPVSSYSA-N -1 1 269.728 2.749 20 30 CFEDMM N#Cc1ccc(C(=O)NCC[C@@H]2CC=CCC2)cc1[O-] ZINC000529869771 268198327 /nfs/dbraw/zinc/19/83/27/268198327.db2.gz SWQDTSJDXNZHMZ-GFCCVEGCSA-N -1 1 270.332 2.740 20 30 CFEDMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442978676 279021000 /nfs/dbraw/zinc/02/10/00/279021000.db2.gz YOTVIGLBFQFJDK-PIGZYNQJSA-N -1 1 292.338 2.927 20 30 CFEDMM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561507421 282056114 /nfs/dbraw/zinc/05/61/14/282056114.db2.gz MMJRIVLHFGDBSR-DGCLKSJQSA-N -1 1 296.392 2.788 20 30 CFEDMM CC(C)c1ccc(C(=O)Nc2ccn(CCC#N)n2)c([O-])c1 ZINC000266474116 328169282 /nfs/dbraw/zinc/16/92/82/328169282.db2.gz TTWMCQMDRGJGEB-UHFFFAOYSA-N -1 1 298.346 2.878 20 30 CFEDMM N#Cc1ccc(C(=O)N2CCc3sccc3C2)cc1[O-] ZINC000188242012 324010909 /nfs/dbraw/zinc/01/09/09/324010909.db2.gz JOGFSLCKUCCHIE-UHFFFAOYSA-N -1 1 284.340 2.524 20 30 CFEDMM CC(C)C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188593704 324019184 /nfs/dbraw/zinc/01/91/84/324019184.db2.gz AIELNJUCZKHCHK-GFCCVEGCSA-N -1 1 272.348 2.772 20 30 CFEDMM C=C[C@@H](CCC(=O)[O-])NCc1c(Cl)cccc1OC ZINC000417605407 328515735 /nfs/dbraw/zinc/51/57/35/328515735.db2.gz BCBRZXBEPPAUPL-JTQLQIEISA-N -1 1 283.755 2.858 20 30 CFEDMM C=CC[C@H](CC)Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000393756901 329089442 /nfs/dbraw/zinc/08/94/42/329089442.db2.gz HRWPYOWSZBPKMI-VIFPVBQESA-N -1 1 291.376 2.886 20 30 CFEDMM N#Cc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)s1 ZINC000176405408 329175268 /nfs/dbraw/zinc/17/52/68/329175268.db2.gz OPMWJCAFQFPWOS-AWNIVKPZSA-N -1 1 269.281 2.942 20 30 CFEDMM C=CC[C@H](C)NC(=O)c1cc(Br)ccc1[O-] ZINC000116987743 330362855 /nfs/dbraw/zinc/36/28/55/330362855.db2.gz UPOAVQUUVJXSFF-QMMMGPOBSA-N -1 1 284.153 2.849 20 30 CFEDMM C=CC[C@@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000116987515 330362826 /nfs/dbraw/zinc/36/28/26/330362826.db2.gz UAVGFILXROJJEX-MRVPVSSYSA-N -1 1 284.153 2.849 20 30 CFEDMM C=C(CC)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000452039302 331051468 /nfs/dbraw/zinc/05/14/68/331051468.db2.gz GNWVYYWDGRAKKK-UHFFFAOYSA-N -1 1 277.748 2.724 20 30 CFEDMM C#CCN(CC#CC)C(=O)c1cc2ccccc2cc1[O-] ZINC000490899678 332127539 /nfs/dbraw/zinc/12/75/39/332127539.db2.gz PPRONNQHSNFRPE-UHFFFAOYSA-N -1 1 277.323 2.644 20 30 CFEDMM CC(C)n1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000191436478 333219658 /nfs/dbraw/zinc/21/96/58/333219658.db2.gz NAYTZLWZPSKREU-GFCCVEGCSA-N -1 1 293.330 2.830 20 30 CFEDMM N#C[C@H](NC(=O)c1cc(F)ccc1[O-])C1CCCCC1 ZINC000132840909 334007492 /nfs/dbraw/zinc/00/74/92/334007492.db2.gz ZEWLRJDVKIEURT-ZDUSSCGKSA-N -1 1 276.311 2.734 20 30 CFEDMM CCC[C@H](C#N)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000547290883 334076217 /nfs/dbraw/zinc/07/62/17/334076217.db2.gz QDRWNDBMFNRDIU-SNVBAGLBSA-N -1 1 296.754 2.866 20 30 CFEDMM C=CC[C@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000135120661 334116416 /nfs/dbraw/zinc/11/64/16/334116416.db2.gz FYDHUAQFAMPYRJ-QMMMGPOBSA-N -1 1 269.728 2.749 20 30 CFEDMM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000556264929 334505144 /nfs/dbraw/zinc/50/51/44/334505144.db2.gz BSMGJVQWIYGZEC-NSHDSACASA-N -1 1 296.323 2.542 20 30 CFEDMM