smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1cc(C(=O)NCc2cccc(Cl)c2[O-])nn1 ZINC001606869511 1164021438 /nfs/dbraw/zinc/02/14/38/1164021438.db2.gz UWPAZDKSFWETPI-UHFFFAOYSA-N -1 1 292.726 1.753 10 30 CDEEMM C=CC[C@H](C)[N-]S(=O)(=O)c1csnc1OC ZINC001186988714 920257944 /nfs/dbraw/zinc/25/79/44/920257944.db2.gz SAISTVXPVRSJPE-ZETCQYMHSA-N -1 1 262.356 1.395 10 30 CDEEMM N#Cc1cccc(NC2CN(C(=O)c3ccc([O-])cn3)C2)c1 ZINC001413326761 935988443 /nfs/dbraw/zinc/98/84/43/935988443.db2.gz AHFXGSIVHOJXTN-UHFFFAOYSA-N -1 1 294.314 1.595 10 30 CDEEMM C=CCN(C(=O)c1ccc([O-])cn1)[C@@H](C)COC ZINC001166478740 939609048 /nfs/dbraw/zinc/60/90/48/939609048.db2.gz UOMUTHXSYHKZOT-JTQLQIEISA-N -1 1 250.298 1.450 10 30 CDEEMM C=C(Cl)C[C@@H](NCc1cc2n(n1)CCC2)C(=O)[O-] ZINC001332423860 942412244 /nfs/dbraw/zinc/41/22/44/942412244.db2.gz SGHPZYPTUQSQQL-LLVKDONJSA-N -1 1 269.732 1.515 10 30 CDEEMM C=C[C@@H](CCC(=O)[O-])NCc1cnn(C)c1Cl ZINC001262163070 946481610 /nfs/dbraw/zinc/48/16/10/946481610.db2.gz GQURHHMFIVQKGK-VIFPVBQESA-N -1 1 257.721 1.583 10 30 CDEEMM C=CCCn1cc(CN[C@@H](C=C)CCC(=O)[O-])nn1 ZINC001329354334 955844337 /nfs/dbraw/zinc/84/43/37/955844337.db2.gz MPXKPFNKVSHMDZ-NSHDSACASA-N -1 1 264.329 1.363 10 30 CDEEMM C=C(C)CCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001329960610 956202122 /nfs/dbraw/zinc/20/21/22/956202122.db2.gz MIBYQOKCGPPHHU-UHFFFAOYSA-N -1 1 292.339 1.020 10 30 CDEEMM C=CCn1c(-c2nnn[n-]2)nnc1N1CC[C@H](C(C)C)C1 ZINC001339867083 962591816 /nfs/dbraw/zinc/59/18/16/962591816.db2.gz KDKASGIPOIKDOE-JTQLQIEISA-N -1 1 288.359 1.127 10 30 CDEEMM C=CCn1c(-c2nn[n-]n2)nnc1N1CC[C@H](C(C)C)C1 ZINC001339867083 962591834 /nfs/dbraw/zinc/59/18/34/962591834.db2.gz KDKASGIPOIKDOE-JTQLQIEISA-N -1 1 288.359 1.127 10 30 CDEEMM N#CC(Cc1ccc(C#N)cc1)=C([O-])n1ncc(C#N)c1N ZINC001557714212 965199986 /nfs/dbraw/zinc/19/99/86/965199986.db2.gz FCFYKFIVQVRZDE-LBPRGKRZSA-N -1 1 290.286 1.231 10 30 CDEEMM C=C[C@H](CC)CC(=O)NCCNC(=O)c1ncccc1[O-] ZINC001348839407 966200764 /nfs/dbraw/zinc/20/07/64/966200764.db2.gz XXFMXYJWNIHVIJ-LLVKDONJSA-N -1 1 291.351 1.236 10 30 CDEEMM C=CC(C)(C)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001352792926 967487375 /nfs/dbraw/zinc/48/73/75/967487375.db2.gz DJMXQRCTGKRPSL-JTQLQIEISA-N -1 1 263.345 1.193 10 30 CDEEMM Cc1conc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC001455732171 968790257 /nfs/dbraw/zinc/79/02/57/968790257.db2.gz CKWGZIJWVFBQDI-UHFFFAOYSA-N -1 1 257.249 1.490 10 30 CDEEMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccncc2C#N)n1 ZINC001456114633 968866197 /nfs/dbraw/zinc/86/61/97/968866197.db2.gz RTUBSSIXHKQJRR-UHFFFAOYSA-N -1 1 286.251 1.330 10 30 CDEEMM C=CCn1c(-c2noc(=O)[n-]2)nnc1N(C)[C@H](C)CCC ZINC001355848538 969286617 /nfs/dbraw/zinc/28/66/17/969286617.db2.gz QVQNDAMDXUXMBR-SECBINFHSA-N -1 1 292.343 1.432 10 30 CDEEMM Cc1nsc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c1C#N ZINC001459427370 969424859 /nfs/dbraw/zinc/42/48/59/969424859.db2.gz YILSLCKNMUEMDM-UHFFFAOYSA-N -1 1 289.276 1.879 10 30 CDEEMM CCc1cc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)n[nH]1 ZINC001465017568 969839053 /nfs/dbraw/zinc/83/90/53/969839053.db2.gz GRBQQJHHYQYHAA-UHFFFAOYSA-N -1 1 285.307 1.183 10 30 CDEEMM N#Cc1cc([O-])cc(C(=O)N2CCCc3n[nH]cc3C2)c1 ZINC000596006736 343207681 /nfs/dbraw/zinc/20/76/81/343207681.db2.gz RTIWNGFEJBLMAF-UHFFFAOYSA-N -1 1 282.303 1.576 10 30 CDEEMM COC[C@@H](CCNC(=O)c1ccc(C#N)c([O-])c1)OC ZINC000597894712 343660532 /nfs/dbraw/zinc/66/05/32/343660532.db2.gz SHYYMXRXDJXBIS-GFCCVEGCSA-N -1 1 278.308 1.045 10 30 CDEEMM N#Cc1ccc(-c2cnc(N3CCC(O)CC3)nc2)c([O-])c1 ZINC000600794019 349881782 /nfs/dbraw/zinc/88/17/82/349881782.db2.gz RCYSQGXQZVDXLR-UHFFFAOYSA-N -1 1 296.330 1.682 10 30 CDEEMM C=C[C@](C)(CC)C(=O)N[C@H](C)c1n[n-]c(C(=O)OCC)n1 ZINC000603153561 344714932 /nfs/dbraw/zinc/71/49/32/344714932.db2.gz HVCUSMBEZGDZQF-YMTOWFKASA-N -1 1 294.355 1.761 10 30 CDEEMM C=C[C@](C)(CC)C(=O)N[C@H](C)c1nnc(C(=O)OCC)[n-]1 ZINC000603153561 344714934 /nfs/dbraw/zinc/71/49/34/344714934.db2.gz HVCUSMBEZGDZQF-YMTOWFKASA-N -1 1 294.355 1.761 10 30 CDEEMM C=C[C@](C)(CC)C(=O)N[C@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000603153561 344714936 /nfs/dbraw/zinc/71/49/36/344714936.db2.gz HVCUSMBEZGDZQF-YMTOWFKASA-N -1 1 294.355 1.761 10 30 CDEEMM CN(C)c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000614294235 348072147 /nfs/dbraw/zinc/07/21/47/348072147.db2.gz YPSIGCSTVXGYKL-UHFFFAOYSA-N -1 1 282.303 1.977 10 30 CDEEMM N#Cc1cc2c([O-])cn(-c3ccccc3)c2nc1N ZINC000012506112 283115616 /nfs/dbraw/zinc/11/56/16/283115616.db2.gz LKJNDFPIFKNRGU-UHFFFAOYSA-N -1 1 250.261 1.870 10 30 CDEEMM C=CCN(CC(F)(F)F)C(=O)CCCc1nn[n-]n1 ZINC000635448467 361378169 /nfs/dbraw/zinc/37/81/69/361378169.db2.gz FHHSMQOTFNLPJG-UHFFFAOYSA-N -1 1 277.250 1.099 10 30 CDEEMM C=C[C@@H]1OCC[C@H]1NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000562561059 361608668 /nfs/dbraw/zinc/60/86/68/361608668.db2.gz XDYSINSEZZMQPA-OLZOCXBDSA-N -1 1 299.330 1.717 10 30 CDEEMM C=C[C@@H]1OCC[C@H]1NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000562561059 361608672 /nfs/dbraw/zinc/60/86/72/361608672.db2.gz XDYSINSEZZMQPA-OLZOCXBDSA-N -1 1 299.330 1.717 10 30 CDEEMM COC(=O)Cc1c([O-])c(C#N)ccc1OC(F)F ZINC000575385841 364602774 /nfs/dbraw/zinc/60/27/74/364602774.db2.gz AFFOJOFSGUMGCT-UHFFFAOYSA-N -1 1 257.192 1.581 10 30 CDEEMM N#Cc1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1[O-] ZINC000188629231 390973351 /nfs/dbraw/zinc/97/33/51/390973351.db2.gz WSGOSHKZEGYIIX-NSHDSACASA-N -1 1 283.291 1.120 10 30 CDEEMM C=C[C@H](CO)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001585422247 1172900068 /nfs/dbraw/zinc/90/00/68/1172900068.db2.gz XWRHFYSFODSWML-MRVPVSSYSA-N -1 1 276.267 1.356 10 30 CDEEMM Cc1[nH]cnc1CC(=O)[N-]Oc1cccc(C#N)c1 ZINC001587208834 1172976071 /nfs/dbraw/zinc/97/60/71/1172976071.db2.gz PZPIZDADVGHXPI-UHFFFAOYSA-N -1 1 256.265 1.243 10 30 CDEEMM N#CC1c2ccc3ccccc3c2C(=O)N1[C@H](CO)C(=O)[O-] ZINC000071679926 176245041 /nfs/dbraw/zinc/24/50/41/176245041.db2.gz NXLJQTKLJXCDGO-CHWSQXEVSA-N -1 1 296.282 1.306 10 30 CDEEMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000330878141 264060681 /nfs/dbraw/zinc/06/06/81/264060681.db2.gz LIXQEAMLUDBZGG-VIFPVBQESA-N -1 1 273.383 1.731 10 30 CDEEMM CC[C@H](C)[C@@H](O)CNC(=O)c1ncc(C)cc1[O-] ZINC000330882636 264062314 /nfs/dbraw/zinc/06/23/14/264062314.db2.gz OEUPZWHWGCBYRJ-ONGXEEELSA-N -1 1 252.314 1.807 10 30 CDEEMM Cc1cnc(C(=O)NC[C@H](C)C[C@@H](C)O)c([O-])c1 ZINC000330888932 264064454 /nfs/dbraw/zinc/06/44/54/264064454.db2.gz UWXIOTWDIMITQN-PSASIEDQSA-N -1 1 252.314 1.807 10 30 CDEEMM COC[C@@](C)(C#N)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442667775 330778450 /nfs/dbraw/zinc/77/84/50/330778450.db2.gz AIPLLVVQAQJTGK-CYBMUJFWSA-N -1 1 298.726 1.713 10 30 CDEEMM C=CCOCCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000679649193 483410377 /nfs/dbraw/zinc/41/03/77/483410377.db2.gz QTUNAEURPGCDBB-UHFFFAOYSA-N -1 1 293.367 1.721 10 30 CDEEMM C#CCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000733247129 575108254 /nfs/dbraw/zinc/10/82/54/575108254.db2.gz YHFJYDUXUMCDEF-UHFFFAOYSA-N -1 1 298.364 1.110 10 30 CDEEMM C[C@@H](C=Nn1c(=O)cn[n-]c1=S)Cc1ccccc1 ZINC000766483586 576107396 /nfs/dbraw/zinc/10/73/96/576107396.db2.gz ZFPPNMAIJOGXLJ-SNVBAGLBSA-N -1 1 274.349 1.640 10 30 CDEEMM O=C([O-])c1ccc(C(=O)/C=C\c2cocn2)c(O)c1 ZINC000806558728 617238159 /nfs/dbraw/zinc/23/81/59/617238159.db2.gz JXLHDEVIUDVZCM-RQOWECAXSA-N -1 1 259.217 1.975 10 30 CDEEMM C[C@@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)[C@@H]1C ZINC000814798507 618723861 /nfs/dbraw/zinc/72/38/61/618723861.db2.gz HGSVKGCCIAIVLK-RKDXNWHRSA-N -1 1 277.349 1.757 10 30 CDEEMM CO[C@H](C(=O)N([O-])Cc1ccc(F)cc1)[C@H]1CCOC1 ZINC000901372612 624201386 /nfs/dbraw/zinc/20/13/86/624201386.db2.gz JBMCBYNPOMKJGQ-AAEUAGOBSA-N -1 1 283.299 1.595 10 30 CDEEMM Cc1cc([O-])c(C(=O)C=Cc2cnn3ccccc23)c(=O)o1 ZINC000255613872 678386299 /nfs/dbraw/zinc/38/62/99/678386299.db2.gz CNBRONSZEMYPKL-IYKSTZQJSA-N -1 1 296.282 1.563 10 30 CDEEMM CO[C@@H]1CC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870690082 678430334 /nfs/dbraw/zinc/43/03/34/678430334.db2.gz IXQZKINYFLTSOY-NWDGAFQWSA-N -1 1 260.293 1.783 10 30 CDEEMM N#Cc1cccc(O[N-]C(=O)C[C@@H]2CCCC(=O)N2)c1 ZINC000870690603 678562175 /nfs/dbraw/zinc/56/21/75/678562175.db2.gz RLEUPJBTVCLFCI-NSHDSACASA-N -1 1 273.292 1.027 10 30 CDEEMM CS[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000867673596 678714774 /nfs/dbraw/zinc/71/47/74/678714774.db2.gz RYSWGSNZEOLRKP-XWEPSHTISA-N -1 1 272.351 1.324 10 30 CDEEMM C=CCOCCNC(=O)c1nnc2ccccc2c1O ZINC000780752719 678848390 /nfs/dbraw/zinc/84/83/90/678848390.db2.gz RUBKVIQVAHHDLT-UHFFFAOYSA-N -1 1 273.292 1.268 10 30 CDEEMM C#CCO[C@@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821918 679037799 /nfs/dbraw/zinc/03/77/99/679037799.db2.gz HNWNUWDWOHPQTH-VIFPVBQESA-N -1 1 267.712 1.700 10 30 CDEEMM CC(C)OCCON=c1cc(C#N)[n-]c(C2CC2)n1 ZINC000865822820 679056084 /nfs/dbraw/zinc/05/60/84/679056084.db2.gz OGZFNHLLRJENSC-UHFFFAOYSA-N -1 1 262.313 1.994 10 30 CDEEMM Cc1ccn2c(c1)nnc2[N-]C(=O)c1cccc[n+]1[O-] ZINC000088354049 679192116 /nfs/dbraw/zinc/19/21/16/679192116.db2.gz OAFLARQWIUSKTL-UHFFFAOYSA-N -1 1 269.264 1.307 10 30 CDEEMM CC(N=NC1=NCC(=O)[N-]1)C(C)(C)c1ccc(F)cc1 ZINC000863175299 679620880 /nfs/dbraw/zinc/62/08/80/679620880.db2.gz ZZARCYRRZHCUTH-UHFFFAOYSA-N -1 1 276.315 1.555 10 30 CDEEMM Cn1ncc2c1C[C@H](C(=O)[N-]Oc1cccc(C#N)c1)CC2 ZINC000870690652 679621340 /nfs/dbraw/zinc/62/13/40/679621340.db2.gz RYXHDERJMRPBIM-GFCCVEGCSA-N -1 1 296.330 1.507 10 30 CDEEMM C=C[C@@H](C)ONC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001628287052 1166060744 /nfs/dbraw/zinc/06/07/44/1166060744.db2.gz LMVANXAENJQCLL-SSDOTTSWSA-N -1 1 264.310 1.254 10 30 CDEEMM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001631874022 1166309460 /nfs/dbraw/zinc/30/94/60/1166309460.db2.gz KXMAGFBXHIOSKC-GHMZBOCLSA-N -1 1 292.310 1.801 10 30 CDEEMM N#CC1(NC(=O)c2ccc(F)c([O-])c2)CCOCC1 ZINC001633820404 1166452451 /nfs/dbraw/zinc/45/24/51/1166452451.db2.gz MDMRAFBXIQIABP-UHFFFAOYSA-N -1 1 264.256 1.334 10 30 CDEEMM C=C[C@](C)(CC)C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001639279873 1166920714 /nfs/dbraw/zinc/92/07/14/1166920714.db2.gz YUJAKWJBXYHQLN-OAHLLOKOSA-N -1 1 293.367 1.799 10 30 CDEEMM C#CCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC001584286934 1172811598 /nfs/dbraw/zinc/81/15/98/1172811598.db2.gz HCWQMZITWKRVIB-CYBMUJFWSA-N -1 1 286.331 1.337 10 30 CDEEMM COc1cnc(C(C)(C)NC(=O)CCCC#N)[n-]c1=O ZINC001597280803 1174265906 /nfs/dbraw/zinc/26/59/06/1174265906.db2.gz FLDXXGIFLZZRLD-UHFFFAOYSA-N -1 1 278.312 1.236 10 30 CDEEMM C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001725503634 1182027176 /nfs/dbraw/zinc/02/71/76/1182027176.db2.gz KRQNVCPTYSKWJA-QWRGUYRKSA-N -1 1 295.387 1.049 10 30 CDEEMM C=CCC(F)(F)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001168693649 921055481 /nfs/dbraw/zinc/05/54/81/921055481.db2.gz IWMQSEWHRAYJHA-SNVBAGLBSA-N -1 1 293.277 1.617 10 30 CDEEMM C#CC[C@H](CO)NC(=O)c1ncc2ccccc2c1[O-] ZINC001141591758 936909657 /nfs/dbraw/zinc/90/96/57/936909657.db2.gz 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CCCN[C@H](C#N)CSc1nc(C)cc(=O)[n-]1 ZINC000045364996 175362420 /nfs/dbraw/zinc/36/24/20/175362420.db2.gz GDYKMUKWDARBNI-SECBINFHSA-N -1 1 252.343 1.062 10 30 CDEEMM COC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765860287 576061422 /nfs/dbraw/zinc/06/14/22/576061422.db2.gz SBNRZTLMQNSYAC-LBPRGKRZSA-N -1 1 286.253 1.962 10 30 CDEEMM Cc1cc(=O)[n-]c(NN=Cc2cnn(CCF)c2)n1 ZINC000905416960 626805443 /nfs/dbraw/zinc/80/54/43/626805443.db2.gz LNKTYBPPFRVMAF-UHFFFAOYSA-N -1 1 264.264 1.103 10 30 CDEEMM C=C(C)C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000910292749 629000459 /nfs/dbraw/zinc/00/04/59/629000459.db2.gz IDFBYAPQPRLJOG-JOYOIKCWSA-N -1 1 277.324 1.365 10 30 CDEEMM C=CC(C)(C)CCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000910380775 629043716 /nfs/dbraw/zinc/04/37/16/629043716.db2.gz YPQSASMQSMWKRX-ZDUSSCGKSA-N -1 1 296.411 1.892 10 30 CDEEMM C=CCCO[N-]C(=O)[C@H]1C(=C)[C@@H]1C(=O)NOCCC=C ZINC000912628339 630115591 /nfs/dbraw/zinc/11/55/91/630115591.db2.gz YANFTQMPHRHEIW-RYUDHWBXSA-N -1 1 280.324 1.036 10 30 CDEEMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)o1 ZINC000921606336 633097988 /nfs/dbraw/zinc/09/79/88/633097988.db2.gz ASEHNPOOHJQCGJ-AXFHLTTASA-N -1 1 294.332 1.021 10 30 CDEEMM C=C(CC)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001641602225 1167124267 /nfs/dbraw/zinc/12/42/67/1167124267.db2.gz RUYIUKIOCGVBQE-LLVKDONJSA-N -1 1 257.297 1.372 10 30 CDEEMM Cc1cc(C(=O)Nc2ccncc2[O-])cc(C)c1C#N ZINC001648541417 1169137618 /nfs/dbraw/zinc/13/76/18/1169137618.db2.gz AETHQWMKNUFZPW-UHFFFAOYSA-N -1 1 267.288 1.950 10 30 CDEEMM C=CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001701123807 1177274974 /nfs/dbraw/zinc/27/49/74/1177274974.db2.gz UYJCHTDOPXGWRI-QWRGUYRKSA-N -1 1 291.351 1.376 10 30 CDEEMM C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001714729972 1179364377 /nfs/dbraw/zinc/36/43/77/1179364377.db2.gz KMODRJCVNDTZJP-WDEREUQCSA-N -1 1 295.387 1.049 10 30 CDEEMM CC(CC(F)(F)F)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000814847779 737505367 /nfs/dbraw/zinc/50/53/67/737505367.db2.gz CXPHQTRSYYEKOR-UHFFFAOYSA-N -1 1 288.233 1.809 10 30 CDEEMM CN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@@H]1CCC[C@H]1C#N ZINC000864077027 737438381 /nfs/dbraw/zinc/43/83/81/737438381.db2.gz AOYQYXLKDXXOEI-CMPLNLGQSA-N -1 1 286.335 1.824 10 30 CDEEMM N#Cc1cccc(O[N-]C(=O)[C@@H]2CCc3n[nH]cc3C2)c1 ZINC000870691129 737767013 /nfs/dbraw/zinc/76/70/13/737767013.db2.gz DKRAXUUQUJQMED-LLVKDONJSA-N -1 1 282.303 1.496 10 30 CDEEMM N#CCCOCCOC(=O)c1c([O-])cc(F)cc1F ZINC000815200973 738099358 /nfs/dbraw/zinc/09/93/58/738099358.db2.gz MAWITRHVAMFKPB-UHFFFAOYSA-N -1 1 271.219 1.757 10 30 CDEEMM C#CC[C@@H](COC)NC(=O)c1cc(F)ccc1[O-] ZINC000716829929 738830766 /nfs/dbraw/zinc/83/07/66/738830766.db2.gz TXZXLYYYEJKMLK-JTQLQIEISA-N -1 1 251.257 1.299 10 30 CDEEMM C#CCNC(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865373089 736560725 /nfs/dbraw/zinc/56/07/25/736560725.db2.gz FRACOPLUSYWICD-UHFFFAOYSA-N -1 1 277.349 1.210 10 30 CDEEMM C#C[C@@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000848278402 736815537 /nfs/dbraw/zinc/81/55/37/736815537.db2.gz CFRYWLAGEHRJJN-LLVKDONJSA-N -1 1 257.289 1.447 10 30 CDEEMM Cc1cc([O-])c(C(=O)C=Cc2cccc3nccn32)c(=O)o1 ZINC000255032897 737581154 /nfs/dbraw/zinc/58/11/54/737581154.db2.gz OCFXNIFCWFDQFC-IYKSTZQJSA-N -1 1 296.282 1.563 10 30 CDEEMM CCc1ccc(C#CC(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC001141578130 936907185 /nfs/dbraw/zinc/90/71/85/936907185.db2.gz GTNPQJNWVLZZAQ-UHFFFAOYSA-N -1 1 269.304 1.976 10 30 CDEEMM COCC(COC)NN=Cc1cccc([O-])c1Cl ZINC000863192577 929515019 /nfs/dbraw/zinc/51/50/19/929515019.db2.gz XXIWFEOUSKPXEU-UHFFFAOYSA-N -1 1 272.732 1.631 10 30 CDEEMM C=C(C)CO[N-]C(=O)c1cc[nH]c(=O)c1Br ZINC001144640284 931931941 /nfs/dbraw/zinc/93/19/41/931931941.db2.gz PGAYZEOYLYHVMQ-UHFFFAOYSA-N -1 1 287.113 1.787 10 30 CDEEMM C[C@@H](CC#N)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC001261592059 946189319 /nfs/dbraw/zinc/18/93/19/946189319.db2.gz YGJQCLLKMIWUNZ-ZETCQYMHSA-N -1 1 266.219 1.148 10 30 CDEEMM N#C[C@@H]1CN(C(=O)c2cccc([O-])c2F)CCN1C1CC1 ZINC001363249159 972017665 /nfs/dbraw/zinc/01/76/65/972017665.db2.gz IYRCAQNHABFZCM-LLVKDONJSA-N -1 1 289.310 1.344 10 30 CDEEMM C=C[C@@H](C)[C@H](C)C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001348838698 966199781 /nfs/dbraw/zinc/19/97/81/966199781.db2.gz KUQKCNAEXINZLM-MNOVXSKESA-N -1 1 291.351 1.091 10 30 CDEEMM C=C1CC(C)(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)C1 ZINC001350428309 966663213 /nfs/dbraw/zinc/66/32/13/966663213.db2.gz HKHBWHNWZJRKQH-LLVKDONJSA-N -1 1 275.356 1.337 10 30 CDEEMM CCOC(=O)c1nc(NC(=O)CCCC#N)[n-]c1Cl ZINC001538200393 967046043 /nfs/dbraw/zinc/04/60/43/967046043.db2.gz HUJDDRHNCVEVLX-UHFFFAOYSA-N -1 1 284.703 1.872 10 30 CDEEMM N#C[C@]1(NC(=O)c2cccc([O-])c2F)CCSC1 ZINC001542734952 967244970 /nfs/dbraw/zinc/24/49/70/967244970.db2.gz IMUVSCCPDVMMOU-GFCCVEGCSA-N -1 1 266.297 1.660 10 30 CDEEMM N#Cc1cncc(CNC(=O)c2c([O-])cccc2F)c1 ZINC001456021776 968848827 /nfs/dbraw/zinc/84/88/27/968848827.db2.gz VSSZZPBDGSEGHX-UHFFFAOYSA-N -1 1 271.251 1.728 10 30 CDEEMM Cc1nnc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)o1 ZINC001464302910 969781223 /nfs/dbraw/zinc/78/12/23/969781223.db2.gz LYEWESPARMFYNT-UHFFFAOYSA-N -1 1 292.245 1.658 10 30 CDEEMM CCOc1ccc(C#N)cc1NC(=O)c1cnncc1[O-] ZINC001361908243 970665474 /nfs/dbraw/zinc/66/54/74/970665474.db2.gz KUUFZGWTYQRKBC-UHFFFAOYSA-N -1 1 284.275 1.705 10 30 CDEEMM N#CCc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001570705282 1170243185 /nfs/dbraw/zinc/24/31/85/1170243185.db2.gz CCLVOCYYFCDRKH-UHFFFAOYSA-N -1 1 267.288 1.783 10 30 CDEEMM N#Cc1cccc(NC(=O)CCC[P@@](=O)([O-])O)c1 ZINC000096907968 185128303 /nfs/dbraw/zinc/12/83/03/185128303.db2.gz CMNJUUFHXITLGT-UHFFFAOYSA-N -1 1 268.209 1.455 10 30 CDEEMM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H]1CCCCO1 ZINC000594486802 342913559 /nfs/dbraw/zinc/91/35/59/342913559.db2.gz IVAKYIAFWNCVNS-NWDGAFQWSA-N -1 1 298.364 1.777 10 30 CDEEMM C[C@@]12COC[C@]1(C)CN(C(=O)c1cc([O-])cc(C#N)c1)C2 ZINC000598067818 343715786 /nfs/dbraw/zinc/71/57/86/343715786.db2.gz OLHDUPBTJGSJGS-IYBDPMFKSA-N -1 1 286.331 1.762 10 30 CDEEMM CN(C(=O)c1csc(=NC2CC2)[n-]1)[C@@H]1CCC[C@@H]1C#N ZINC000601816036 344258482 /nfs/dbraw/zinc/25/84/82/344258482.db2.gz GNLUNGBUFQLHIU-BXKDBHETSA-N -1 1 290.392 1.904 10 30 CDEEMM C=CCCC(=O)N[C@H](C)c1n[n-]c(C(=O)OCC)n1 ZINC000603159308 344724464 /nfs/dbraw/zinc/72/44/64/344724464.db2.gz AFHCYMRRQXFHOH-MRVPVSSYSA-N -1 1 266.301 1.125 10 30 CDEEMM C=CCCC(=O)N[C@H](C)c1nnc(C(=O)OCC)[n-]1 ZINC000603159308 344724466 /nfs/dbraw/zinc/72/44/66/344724466.db2.gz AFHCYMRRQXFHOH-MRVPVSSYSA-N -1 1 266.301 1.125 10 30 CDEEMM C=CCCC(=O)N[C@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000603159308 344724468 /nfs/dbraw/zinc/72/44/68/344724468.db2.gz AFHCYMRRQXFHOH-MRVPVSSYSA-N -1 1 266.301 1.125 10 30 CDEEMM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCc1nn[n-]n1 ZINC000601647325 349985618 /nfs/dbraw/zinc/98/56/18/349985618.db2.gz PHONBCIQPHRIFX-JTQLQIEISA-N -1 1 284.323 1.224 10 30 CDEEMM CC(C)N(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCOC1 ZINC000331168161 357114320 /nfs/dbraw/zinc/11/43/20/357114320.db2.gz NXMFCEUBNQQFGX-CYBMUJFWSA-N -1 1 274.320 1.903 10 30 CDEEMM N#Cc1ccc(C(=O)N2CCC[C@@]3(CCOC3)C2)cc1[O-] ZINC000456691196 364768205 /nfs/dbraw/zinc/76/82/05/364768205.db2.gz KBOIPSPXLMUSIE-MRXNPFEDSA-N -1 1 286.331 1.907 10 30 CDEEMM N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1[O-] ZINC000408425301 391341408 /nfs/dbraw/zinc/34/14/08/391341408.db2.gz FMWWEWDKRHTJDR-XQQFMLRXSA-N -1 1 272.304 1.107 10 30 CDEEMM C=CCN(CC=C)C(=O)CN[C@H](CC(C)C)C(=O)[O-] ZINC000043443334 175047108 /nfs/dbraw/zinc/04/71/08/175047108.db2.gz PJNATABWLSTYKL-GFCCVEGCSA-N -1 1 268.357 1.276 10 30 CDEEMM C#CC(CC)(CC)NC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC000071139894 176038695 /nfs/dbraw/zinc/03/86/95/176038695.db2.gz JFGIJHAWPCDWCV-UHFFFAOYSA-N -1 1 294.395 1.481 10 30 CDEEMM C[C@H](Nc1nc2ccccc2cc1C#N)c1nn[n-]n1 ZINC000071385886 176147468 /nfs/dbraw/zinc/14/74/68/176147468.db2.gz LOSITJIELGEDNX-QMMMGPOBSA-N -1 1 265.280 1.793 10 30 CDEEMM COc1cccc2c1C(=O)N(CCC(=O)[O-])C2C#N ZINC000071678636 176243836 /nfs/dbraw/zinc/24/38/36/176243836.db2.gz UWHOAFSGQJAWBX-SECBINFHSA-N -1 1 260.249 1.190 10 30 CDEEMM N#CC1CCC(CNC(=O)c2cncc([O-])c2)CC1 ZINC000282702782 263078083 /nfs/dbraw/zinc/07/80/83/263078083.db2.gz XVYVFMYKSYWCDN-UHFFFAOYSA-N -1 1 259.309 1.847 10 30 CDEEMM Cc1cnc(C(=O)N[C@@H](CCO)C(C)C)c([O-])c1 ZINC000330894439 264077984 /nfs/dbraw/zinc/07/79/84/264077984.db2.gz ZSFZJZLTYNITEW-JTQLQIEISA-N -1 1 252.314 1.807 10 30 CDEEMM Cc1cnc(C(=O)NCC2(CO)CCOCC2)c([O-])c1 ZINC000331158992 264142409 /nfs/dbraw/zinc/14/24/09/264142409.db2.gz CJQHTQGZBQCGOB-UHFFFAOYSA-N -1 1 280.324 1.189 10 30 CDEEMM C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000372013356 267497265 /nfs/dbraw/zinc/49/72/65/267497265.db2.gz ZKHDQTIIFNRFQC-MNOVXSKESA-N -1 1 263.345 1.508 10 30 CDEEMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000867320683 618693842 /nfs/dbraw/zinc/69/38/42/618693842.db2.gz MYXYEGGTNNFCJO-SNVBAGLBSA-N -1 1 288.350 1.737 10 30 CDEEMM C#C[C@H]1CC[C@H](Nc2cc(=O)[n-]c(COC)n2)CC1 ZINC000895092135 619281052 /nfs/dbraw/zinc/28/10/52/619281052.db2.gz NHVIPHKUTSCYNN-XYPYZODXSA-N -1 1 261.325 1.933 10 30 CDEEMM N#CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1)C(F)(F)F ZINC000901779202 624446662 /nfs/dbraw/zinc/44/66/62/624446662.db2.gz YBLHZVJUJDKNRR-SECBINFHSA-N -1 1 296.245 1.949 10 30 CDEEMM C#CCN(C(=O)c1cnc(C2CC2)[n-]c1=O)C1CSC1 ZINC000912376415 629974916 /nfs/dbraw/zinc/97/49/16/629974916.db2.gz VYGVDPPNPQGONH-UHFFFAOYSA-N -1 1 289.360 1.250 10 30 CDEEMM C#Cc1ccccc1CC(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001637058484 1166721765 /nfs/dbraw/zinc/72/17/65/1166721765.db2.gz SWURPTNEFITAFG-UHFFFAOYSA-N -1 1 297.362 1.408 10 30 CDEEMM C=CCCC(=O)N1CCC[C@@H]1c1nn[n-]c1C(=O)OCC ZINC001644498265 1167322928 /nfs/dbraw/zinc/32/29/28/1167322928.db2.gz CRUPIZBQOXGSMI-SNVBAGLBSA-N -1 1 292.339 1.611 10 30 CDEEMM C=CCCC(=O)N1CCC[C@@H]1c1[n-]nnc1C(=O)OCC ZINC001644498265 1167322933 /nfs/dbraw/zinc/32/29/33/1167322933.db2.gz CRUPIZBQOXGSMI-SNVBAGLBSA-N -1 1 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1.271 10 30 CDEEMM C=CCn1c(-c2nn[n-]n2)nnc1N(CC)CCC1CC1 ZINC001352094109 967092077 /nfs/dbraw/zinc/09/20/77/967092077.db2.gz SFBPIUJDLHCFIX-UHFFFAOYSA-N -1 1 288.359 1.271 10 30 CDEEMM C#Cc1ccc(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)cc1 ZINC001352792732 967487566 /nfs/dbraw/zinc/48/75/66/967487566.db2.gz BZYKQDGGMOTMIM-CYBMUJFWSA-N -1 1 295.346 1.276 10 30 CDEEMM C#C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC001452225274 968084901 /nfs/dbraw/zinc/08/49/01/968084901.db2.gz JKFIDJIAWBFVKN-LBPRGKRZSA-N -1 1 297.270 1.800 10 30 CDEEMM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC001466488347 969961969 /nfs/dbraw/zinc/96/19/69/969961969.db2.gz GFJWDRVEFAPLOU-WDEREUQCSA-N -1 1 288.351 1.132 10 30 CDEEMM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC001466488346 969962815 /nfs/dbraw/zinc/96/28/15/969962815.db2.gz GFJWDRVEFAPLOU-QWRGUYRKSA-N -1 1 288.351 1.132 10 30 CDEEMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)CC(C)C ZINC001520432316 970185315 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C[C@]1(C#N)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000598414884 343794552 /nfs/dbraw/zinc/79/45/52/343794552.db2.gz JFCWVAVZGRRBPH-CQSZACIVSA-N -1 1 255.277 1.640 10 30 CDEEMM CN(C(=O)c1csc(=NC2CC2)[n-]1)[C@H]1CCC[C@@H]1C#N ZINC000601816079 344258194 /nfs/dbraw/zinc/25/81/94/344258194.db2.gz GNLUNGBUFQLHIU-SKDRFNHKSA-N -1 1 290.392 1.904 10 30 CDEEMM C=C[C@@](C)(CC)C(=O)NCc1n[n-]c(C(=O)OCC)n1 ZINC000603015638 344690679 /nfs/dbraw/zinc/69/06/79/344690679.db2.gz JRJASCKTKWXPMF-ZDUSSCGKSA-N -1 1 280.328 1.200 10 30 CDEEMM C=C[C@@](C)(CC)C(=O)NCc1nc(C(=O)OCC)n[n-]1 ZINC000603015638 344690680 /nfs/dbraw/zinc/69/06/80/344690680.db2.gz JRJASCKTKWXPMF-ZDUSSCGKSA-N -1 1 280.328 1.200 10 30 CDEEMM C=C(C)C(C)(C)C(=O)NCc1n[n-]c(C(=O)OCC)n1 ZINC000603021362 344693034 /nfs/dbraw/zinc/69/30/34/344693034.db2.gz KUQUSFCIBULNQM-UHFFFAOYSA-N -1 1 280.328 1.200 10 30 CDEEMM C=C(C)C(C)(C)C(=O)NCc1nc(C(=O)OCC)n[n-]1 ZINC000603021362 344693035 /nfs/dbraw/zinc/69/30/35/344693035.db2.gz KUQUSFCIBULNQM-UHFFFAOYSA-N 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CCOXTLMTPDADLN-UHFFFAOYSA-N -1 1 286.295 1.172 10 30 CDEEMM C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632208070 377135823 /nfs/dbraw/zinc/13/58/23/377135823.db2.gz TYRHSDKYIHUDPX-SSDOTTSWSA-N -1 1 281.280 1.433 10 30 CDEEMM COCCCOC1CN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188606134 390971266 /nfs/dbraw/zinc/97/12/66/390971266.db2.gz VAGKOPPJVKPKEW-UHFFFAOYSA-N -1 1 290.319 1.141 10 30 CDEEMM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)o1 ZINC000235520022 140235803 /nfs/dbraw/zinc/23/58/03/140235803.db2.gz IXIPVPLYYLNAPC-VIFPVBQESA-N -1 1 292.320 1.289 10 30 CDEEMM C=CCCCS(=O)(=O)[N-]c1ccc2c(n1)OCCO2 ZINC000656741934 413620021 /nfs/dbraw/zinc/62/00/21/413620021.db2.gz YPILOUCVAOLMFN-UHFFFAOYSA-N -1 1 284.337 1.561 10 30 CDEEMM Cc1cnc(C(=O)NC[C@@]2(C)CCOC2)c([O-])c1 ZINC000331143714 264137404 /nfs/dbraw/zinc/13/74/04/264137404.db2.gz LIKZDPIQNHCTFG-CYBMUJFWSA-N -1 1 250.298 1.827 10 30 CDEEMM CCC[C@H](C)[C@@H](CO)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000565115989 293526731 /nfs/dbraw/zinc/52/67/31/293526731.db2.gz QWKAVVXBZQHEFA-GXFFZTMASA-N -1 1 276.336 1.791 10 30 CDEEMM C=CC[C@H](CO)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442798412 330784396 /nfs/dbraw/zinc/78/43/96/330784396.db2.gz IPESJDREXIDVDZ-VIFPVBQESA-N -1 1 299.754 1.969 10 30 CDEEMM C=C(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451803089 331042787 /nfs/dbraw/zinc/04/27/87/331042787.db2.gz OSBIZVDGFOUTQG-UHFFFAOYSA-N -1 1 276.339 1.901 10 30 CDEEMM CCN[C@H](C#N)CCSc1nc(C)cc(=O)[n-]1 ZINC000062455259 520161956 /nfs/dbraw/zinc/16/19/56/520161956.db2.gz XCHUXLHOQJMOEF-VIFPVBQESA-N -1 1 252.343 1.062 10 30 CDEEMM CCN(CC(=O)Nc1ccc(C#N)cc1)[C@H](C)CC(=O)[O-] ZINC000061183382 520356474 /nfs/dbraw/zinc/35/64/74/520356474.db2.gz ZTEVCBAHGYBIHE-LLVKDONJSA-N -1 1 289.335 1.682 10 30 CDEEMM N#Cc1cc(Sc2nc(N)cc(=O)[n-]2)nc2ccccc12 ZINC000068796815 526576254 /nfs/dbraw/zinc/57/62/54/526576254.db2.gz KHOLETJTWFRQRF-UHFFFAOYSA-N -1 1 295.327 1.923 10 30 CDEEMM O=S(=O)([N-]Cc1ccccc1C#CCCO)C(F)F ZINC000049590770 527232287 /nfs/dbraw/zinc/23/22/87/527232287.db2.gz JYAUCKSKQZTVHV-UHFFFAOYSA-N -1 1 289.303 1.063 10 30 CDEEMM C=C(C)CCC(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001688134600 1174888158 /nfs/dbraw/zinc/88/81/58/1174888158.db2.gz AMYAJBVTITYELB-LLVKDONJSA-N -1 1 291.351 1.378 10 30 CDEEMM C#CCC1([N-]C(=O)C(F)(F)C(F)F)CCOCC1 ZINC000895242284 619487306 /nfs/dbraw/zinc/48/73/06/619487306.db2.gz BDOVDWAKJDIZBT-UHFFFAOYSA-N -1 1 267.222 1.576 10 30 CDEEMM C#CCc1c(C)[n-]n(C[C@@H]2COc3ccccc3O2)c1=O ZINC000899347017 622194923 /nfs/dbraw/zinc/19/49/23/622194923.db2.gz FKFCLVREJAFHSY-OLZOCXBDSA-N -1 1 284.315 1.684 10 30 CDEEMM C=C1CC(C)(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)C1 ZINC000913436216 630479629 /nfs/dbraw/zinc/47/96/29/630479629.db2.gz AAYAQCWVLWKBJP-GFCCVEGCSA-N -1 1 283.335 1.762 10 30 CDEEMM C=CCN(CC=C)C(=O)c1cnc(SC)[n-]c1=O ZINC001540397660 1167917506 /nfs/dbraw/zinc/91/75/06/1167917506.db2.gz JGTCLOPTCFEYLA-UHFFFAOYSA-N -1 1 265.338 1.718 10 30 CDEEMM CN(c1cc(Cl)[n-]c(=O)n1)[C@H]1CCC[C@H]1C#N ZINC000864090340 1164508647 /nfs/dbraw/zinc/50/86/47/1164508647.db2.gz BMNTUDGYUAODMW-YUMQZZPRSA-N -1 1 252.705 1.964 10 30 CDEEMM C=CC[C@@H](CO)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395977 749905061 /nfs/dbraw/zinc/90/50/61/749905061.db2.gz SLDBPDWOJIFFES-JTQLQIEISA-N -1 1 284.743 1.782 10 30 CDEEMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000867320682 750365557 /nfs/dbraw/zinc/36/55/57/750365557.db2.gz MYXYEGGTNNFCJO-JTQLQIEISA-N -1 1 288.350 1.737 10 30 CDEEMM C#C[C@H]1CC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000871763869 750476578 /nfs/dbraw/zinc/47/65/78/750476578.db2.gz DEGBBOFBTXQPRF-HAQNSBGRSA-N -1 1 295.342 1.845 10 30 CDEEMM Cc1c(Cl)c(C=NNc2nc(C)cc(=O)[n-]2)nn1C ZINC000817321889 750788020 /nfs/dbraw/zinc/78/80/20/750788020.db2.gz TVJXRJQYDHVEAH-UHFFFAOYSA-N -1 1 280.719 1.632 10 30 CDEEMM N#Cc1csc(C=C2SC(=S)[N-]C2=O)n1 ZINC000811685697 750871695 /nfs/dbraw/zinc/87/16/95/750871695.db2.gz ZYSTXVUJPFTKLT-ORCRQEGFSA-N -1 1 253.333 1.504 10 30 CDEEMM C#C[C@@H]([N-]S(=O)(=O)c1cccnc1F)C(C)(C)C ZINC000702273903 752447030 /nfs/dbraw/zinc/44/70/30/752447030.db2.gz BFIFYQPWPDSAOV-SNVBAGLBSA-N -1 1 270.329 1.547 10 30 CDEEMM CC(C)n1cc(CN=Nc2ccc(C(=O)[O-])nc2)nn1 ZINC000835010211 753263348 /nfs/dbraw/zinc/26/33/48/753263348.db2.gz SXOIEKJFFHRFBF-UHFFFAOYSA-N -1 1 274.284 1.398 10 30 CDEEMM C#CCCC[C@@H](C)OC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000847864822 753436779 /nfs/dbraw/zinc/43/67/79/753436779.db2.gz ONRDLBPHASBZCD-SNVBAGLBSA-N -1 1 299.348 1.537 10 30 CDEEMM C=C[C@@H](C)O[N-]C(=O)Cc1cn2cc(F)ccc2n1 ZINC001164414092 924872620 /nfs/dbraw/zinc/87/26/20/924872620.db2.gz MZVBVHWOSKDYGD-SECBINFHSA-N -1 1 263.272 1.638 10 30 CDEEMM C#CCN1CCCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC001136863156 931425499 /nfs/dbraw/zinc/42/54/99/931425499.db2.gz QTOAMMMIRHORJR-UHFFFAOYSA-N -1 1 276.311 1.312 10 30 CDEEMM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000846553221 932064676 /nfs/dbraw/zinc/06/46/76/932064676.db2.gz ZOLXEEXSGYJBTA-KOLCDFICSA-N -1 1 276.340 1.340 10 30 CDEEMM N#Cc1cc(C(=O)[N-]Oc2cccc(C#N)c2)co1 ZINC001171255494 932148097 /nfs/dbraw/zinc/14/80/97/932148097.db2.gz NQPNSTVZQDWHRH-UHFFFAOYSA-N -1 1 253.217 1.747 10 30 CDEEMM CCC[C@H](NC(=O)c1cc(C)c(C#N)c(C)c1)c1nn[n-]n1 ZINC001362069820 970844739 /nfs/dbraw/zinc/84/47/39/970844739.db2.gz OCTCLYMTIPYTMH-ZDUSSCGKSA-N -1 1 298.350 1.959 10 30 CDEEMM C[C@@H](O)CN(C)N=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC001261505548 946152644 /nfs/dbraw/zinc/15/26/44/946152644.db2.gz OJYRAFLHZXKRHZ-SECBINFHSA-N -1 1 274.324 1.012 10 30 CDEEMM Cc1cc(C#N)ccc1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001419133285 961410973 /nfs/dbraw/zinc/41/09/73/961410973.db2.gz CRBVAXBQUQTXAU-UHFFFAOYSA-N -1 1 298.350 1.678 10 30 CDEEMM Cn1cc(C#N)c([N-]C(=O)c2ocnc2C(F)F)n1 ZINC001435360997 962052540 /nfs/dbraw/zinc/05/25/40/962052540.db2.gz NHCKIUONAOGUPB-UHFFFAOYSA-N -1 1 267.195 1.470 10 30 CDEEMM C#CCN(CC)c1nnc(-c2nc(Cl)n[n-]2)n1CC=C ZINC001340592976 963021111 /nfs/dbraw/zinc/02/11/11/963021111.db2.gz FZMDVHFBNIVBJB-UHFFFAOYSA-N -1 1 291.746 1.362 10 30 CDEEMM C=CCN(C(=O)CCc1nn[n-]n1)c1ccccc1 ZINC001556871445 965114185 /nfs/dbraw/zinc/11/41/85/965114185.db2.gz JKWVFHRGOBHNOO-UHFFFAOYSA-N -1 1 257.297 1.352 10 30 CDEEMM C=CCn1c(-c2nnn[n-]2)nnc1N1CC[C@](C)(CC)C1 ZINC001352092883 967093968 /nfs/dbraw/zinc/09/39/68/967093968.db2.gz DPKNXPKZSDRJMY-ZDUSSCGKSA-N -1 1 288.359 1.271 10 30 CDEEMM C=CCn1c(-c2nn[n-]n2)nnc1N1CC[C@](C)(CC)C1 ZINC001352092883 967093977 /nfs/dbraw/zinc/09/39/77/967093977.db2.gz DPKNXPKZSDRJMY-ZDUSSCGKSA-N -1 1 288.359 1.271 10 30 CDEEMM C#CCCCC(=O)Nc1nc(C(=O)OCC)c(Cl)[n-]1 ZINC001535553714 969575039 /nfs/dbraw/zinc/57/50/39/969575039.db2.gz CVGGTNBIMIOYLR-UHFFFAOYSA-N -1 1 283.715 1.982 10 30 CDEEMM C=CC[C@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2C)C1 ZINC001519828429 970115425 /nfs/dbraw/zinc/11/54/25/970115425.db2.gz MESWXCBSLAGKIV-JTQLQIEISA-N -1 1 288.355 1.703 10 30 CDEEMM Cc1noc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)n1 ZINC001417637616 973224377 /nfs/dbraw/zinc/22/43/77/973224377.db2.gz CWFDMELCHADYEN-UHFFFAOYSA-N -1 1 292.245 1.658 10 30 CDEEMM COc1ccc2c(c1)[n-]cc(C(=O)NCC#N)c2=O ZINC000126404296 342260597 /nfs/dbraw/zinc/26/05/97/342260597.db2.gz LMFHMPIENBYPNA-UHFFFAOYSA-N -1 1 257.249 1.202 10 30 CDEEMM N#Cc1cccc(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000537123048 282351194 /nfs/dbraw/zinc/35/11/94/282351194.db2.gz ANAIGNHSQLQHOC-CYBMUJFWSA-N -1 1 296.334 1.020 10 30 CDEEMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](OC(F)F)C2)c1 ZINC000619822533 349926815 /nfs/dbraw/zinc/92/68/15/349926815.db2.gz LZGWWXJSRPQEJK-NSHDSACASA-N -1 1 282.246 1.718 10 30 CDEEMM N#Cc1ccc(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1[O-] ZINC000600522802 348153830 /nfs/dbraw/zinc/15/38/30/348153830.db2.gz RUFOJAGFTZMZRR-GXTWGEPZSA-N -1 1 272.304 1.561 10 30 CDEEMM N#Cc1cc([O-])cc(C(=O)N2CC(F)(F)C[C@H]2CO)c1 ZINC000614880599 348259496 /nfs/dbraw/zinc/25/94/96/348259496.db2.gz MOSMPNQCGGURAO-JTQLQIEISA-N -1 1 282.246 1.106 10 30 CDEEMM CCC[C@]1([N-]S(=O)(=O)c2ccc(C#N)o2)CCOC1 ZINC000286804269 358011206 /nfs/dbraw/zinc/01/12/06/358011206.db2.gz TWYAORXUSHSYNA-LBPRGKRZSA-N -1 1 284.337 1.389 10 30 CDEEMM COCC1(CC[N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000581819362 364035075 /nfs/dbraw/zinc/03/50/75/364035075.db2.gz PVUBEOGTBZKMFC-UHFFFAOYSA-N -1 1 284.337 1.246 10 30 CDEEMM C=CCN(CC(F)(F)F)C(=O)c1ncccc1[O-] ZINC000358606096 367811825 /nfs/dbraw/zinc/81/18/25/367811825.db2.gz VLGDXXOSGTWCAA-UHFFFAOYSA-N -1 1 260.215 1.978 10 30 CDEEMM C=CC[C@H](Cc1ccccc1)NC(=O)CCc1nn[n-]n1 ZINC000633434034 378432837 /nfs/dbraw/zinc/43/28/37/378432837.db2.gz IMQKVRVSZLKNHO-CYBMUJFWSA-N -1 1 285.351 1.436 10 30 CDEEMM CC[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CCO1 ZINC000421973689 392949374 /nfs/dbraw/zinc/94/93/74/392949374.db2.gz CUKFXNYDYPJYEL-QWHCGFSZSA-N -1 1 274.320 1.951 10 30 CDEEMM Cc1ccc(C)c(N/N=C2/C(=O)[N-]C(=S)NC2=O)c1 ZINC000005818223 170143478 /nfs/dbraw/zinc/14/34/78/170143478.db2.gz PDBJSSQAKKMQNA-UHFFFAOYSA-N -1 1 276.321 1.443 10 30 CDEEMM Cc1ccc(C)c(N/N=C2\C(=O)[N-]C(=S)NC2=O)c1 ZINC000005818223 170143479 /nfs/dbraw/zinc/14/34/79/170143479.db2.gz PDBJSSQAKKMQNA-UHFFFAOYSA-N -1 1 276.321 1.443 10 30 CDEEMM N#Cc1cccc([N-]S(=O)(=O)c2cccc(N)c2)c1 ZINC000022173531 171369531 /nfs/dbraw/zinc/36/95/31/171369531.db2.gz XSRYLWBXIJFSLX-UHFFFAOYSA-N -1 1 273.317 1.941 10 30 CDEEMM COc1ccc(C=Nn2cn[n-]c2=S)c(OC)c1 ZINC000035455731 172206880 /nfs/dbraw/zinc/20/68/80/172206880.db2.gz JWAUZQRUEYHLMO-MLPAPPSSSA-N -1 1 264.310 1.840 10 30 CDEEMM COc1cccc2c1C(=O)N([C@H](C)C(=O)[O-])C2C#N ZINC000071678633 176243406 /nfs/dbraw/zinc/24/34/06/176243406.db2.gz XNVGPKISXJMLDW-VXNVDRBHSA-N -1 1 260.249 1.189 10 30 CDEEMM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000116905485 262189679 /nfs/dbraw/zinc/18/96/79/262189679.db2.gz VMLZFMAUZLVDHE-ZETCQYMHSA-N -1 1 276.339 1.899 10 30 CDEEMM Cc1cnc(C(=O)N[C@H](C)[C@H]2CCOC2)c([O-])c1 ZINC000330913640 264076105 /nfs/dbraw/zinc/07/61/05/264076105.db2.gz IORCCGCNIJWOCV-ZJUUUORDSA-N -1 1 250.298 1.825 10 30 CDEEMM Cc1cnc(C(=O)NC[C@]2(CCO)CCOC2)c([O-])c1 ZINC000331149042 264138638 /nfs/dbraw/zinc/13/86/38/264138638.db2.gz ADWJHFMZIDAYKI-AWEZNQCLSA-N -1 1 280.324 1.189 10 30 CDEEMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000529983318 271086253 /nfs/dbraw/zinc/08/62/53/271086253.db2.gz UBPVJRJYOHSVGX-QOBXEIRBSA-N -1 1 274.320 1.806 10 30 CDEEMM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C(C)C)CC1 ZINC001417605536 1159918740 /nfs/dbraw/zinc/91/87/40/1159918740.db2.gz ABULQFOCPIOTSR-UHFFFAOYSA-N -1 1 288.351 1.134 10 30 CDEEMM Cc1ccc(CC(N=NC2=NC(=O)C(=O)[N-]2)C(C)C)cc1 ZINC000765594185 576042532 /nfs/dbraw/zinc/04/25/32/576042532.db2.gz SLRGXMWEVOVJDT-UHFFFAOYSA-N -1 1 286.335 1.152 10 30 CDEEMM CC(C)Cc1ncc(C=Nn2c(=O)cn[n-]c2=S)s1 ZINC000766481799 576107216 /nfs/dbraw/zinc/10/72/16/576107216.db2.gz ASTYUEJJJCNDCO-UHFFFAOYSA-N -1 1 295.393 1.464 10 30 CDEEMM COC(C)(C)[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000928600887 619882048 /nfs/dbraw/zinc/88/20/48/619882048.db2.gz XLOPJYSYRBBEDU-VIFPVBQESA-N -1 1 262.309 1.807 10 30 CDEEMM CC(C)(C)n1nnc(C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC000900094248 622694834 /nfs/dbraw/zinc/69/48/34/622694834.db2.gz JXXZBWLQDBMTDI-UHFFFAOYSA-N -1 1 293.302 1.599 10 30 CDEEMM C#CCOc1ccccc1CNCc1cnn(C)c1C(=O)[O-] ZINC000904068052 626185352 /nfs/dbraw/zinc/18/53/52/626185352.db2.gz QGUQJGQMFNUABT-UHFFFAOYSA-N -1 1 299.330 1.420 10 30 CDEEMM C=CCC[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000909714732 628638826 /nfs/dbraw/zinc/63/88/26/628638826.db2.gz HWAJVFRPEDCFED-CABZTGNLSA-N -1 1 277.324 1.365 10 30 CDEEMM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCOC1=O ZINC000911561632 629322677 /nfs/dbraw/zinc/32/26/77/629322677.db2.gz DOCBYFQTJUAZHD-JTQLQIEISA-N -1 1 280.230 1.082 10 30 CDEEMM C=CCCO[N-]C(=O)[C@@H]1C(=C)[C@H]1C(=O)NOCCC=C ZINC000912628341 630115454 /nfs/dbraw/zinc/11/54/54/630115454.db2.gz YANFTQMPHRHEIW-VXGBXAGGSA-N -1 1 280.324 1.036 10 30 CDEEMM C[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)C(F)F ZINC000919813537 632680986 /nfs/dbraw/zinc/68/09/86/632680986.db2.gz IOJGJYIXWGHCEQ-ZCFIWIBFSA-N -1 1 280.321 1.693 10 30 CDEEMM COC(=O)/C=C\[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC001648885671 1158589895 /nfs/dbraw/zinc/58/98/95/1158589895.db2.gz VHQYZDSSRMVQSI-RWIWAZIYSA-N -1 1 274.276 1.111 10 30 CDEEMM CCc1ccc([C@H](C#N)NC(=O)CCc2nn[n-]n2)cc1 ZINC001636895426 1166706893 /nfs/dbraw/zinc/70/68/93/1166706893.db2.gz KJQIOJZNVINTBD-LBPRGKRZSA-N -1 1 284.323 1.076 10 30 CDEEMM C#CCOCCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001566812730 1168430323 /nfs/dbraw/zinc/43/03/23/1168430323.db2.gz ZKPKGFKYUNAPFY-UHFFFAOYSA-N -1 1 288.278 1.459 10 30 CDEEMM C=CC[C@H]([N-]S(=O)(=O)c1conc1C)c1ccncc1 ZINC001661616156 1172417761 /nfs/dbraw/zinc/41/77/61/1172417761.db2.gz SMJOGOQWAVZYRQ-LBPRGKRZSA-N -1 1 293.348 1.974 10 30 CDEEMM C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1n[nH]c(=O)[n-]1 ZINC001714076237 1178962905 /nfs/dbraw/zinc/96/29/05/1178962905.db2.gz SVYHLUOHYOIARP-JTQLQIEISA-N -1 1 295.387 1.097 10 30 CDEEMM C#C[C@H](C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872976661 754263327 /nfs/dbraw/zinc/26/33/27/754263327.db2.gz HUTNZFLMNMEDHM-QMMMGPOBSA-N -1 1 252.701 1.867 10 30 CDEEMM C#CC[C@@H](CO)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000923982762 754458742 /nfs/dbraw/zinc/45/87/42/754458742.db2.gz TVAQUBLFJCCNBD-JTQLQIEISA-N -1 1 282.727 1.229 10 30 CDEEMM C#CC[C@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)C(=O)OC ZINC000872495382 754552143 /nfs/dbraw/zinc/55/21/43/754552143.db2.gz NEOMCPZZDFFSCK-LBPRGKRZSA-N -1 1 299.392 1.051 10 30 CDEEMM C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852756761 755200641 /nfs/dbraw/zinc/20/06/41/755200641.db2.gz CFXOFZNHQFAKGE-OUAUKWLOSA-N -1 1 294.317 1.312 10 30 CDEEMM C#CCOCCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872967835 755724084 /nfs/dbraw/zinc/72/40/84/755724084.db2.gz NGQAVRPVQHHGOH-UHFFFAOYSA-N -1 1 282.727 1.495 10 30 CDEEMM CS[C@H]1CCC1=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000819806217 755880499 /nfs/dbraw/zinc/88/04/99/755880499.db2.gz 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272.304 1.297 10 30 CDEEMM N#Cc1ccc(C(=O)N2CCO[C@@H](CCF)C2)cc1[O-] ZINC000600498763 349862268 /nfs/dbraw/zinc/86/22/68/349862268.db2.gz ZAPAXYQCAAFLCP-LBPRGKRZSA-N -1 1 278.283 1.464 10 30 CDEEMM CCC(F)(F)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000599433614 344044724 /nfs/dbraw/zinc/04/47/24/344044724.db2.gz JBHCRAGRFGWLAP-UHFFFAOYSA-N -1 1 280.321 1.943 10 30 CDEEMM C=C(C)C[C@H](NC(=O)c1ncccc1[O-])C(=O)OC ZINC000601788024 344252702 /nfs/dbraw/zinc/25/27/02/344252702.db2.gz OKLZOHASHVXKSA-VIFPVBQESA-N -1 1 264.281 1.025 10 30 CDEEMM C=CCC(C)(C)C(=O)NCc1n[n-]c(C(=O)OCC)n1 ZINC000603024191 344693596 /nfs/dbraw/zinc/69/35/96/344693596.db2.gz VRRAYNGOPJHJLO-UHFFFAOYSA-N -1 1 280.328 1.200 10 30 CDEEMM C=CCC(C)(C)C(=O)NCc1nc(C(=O)OCC)n[n-]1 ZINC000603024191 344693598 /nfs/dbraw/zinc/69/35/98/344693598.db2.gz VRRAYNGOPJHJLO-UHFFFAOYSA-N -1 1 280.328 1.200 10 30 CDEEMM N#Cc1cc([O-])cc(C(=O)N2CCN(CC(F)F)CC2)c1 ZINC000614298031 348064155 /nfs/dbraw/zinc/06/41/55/348064155.db2.gz 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DOLNEVFCJUHQHF-HNQUOIGGSA-N -1 1 258.233 1.710 10 30 CDEEMM N#CC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C(F)(F)F ZINC000928805145 620544401 /nfs/dbraw/zinc/54/44/01/620544401.db2.gz LCYNFQZGMWSKKJ-VIFPVBQESA-N -1 1 286.209 1.536 10 30 CDEEMM N#Cc1ccc(C(=O)N2C[C@@H]3CSC[C@@H]3C2)cc1[O-] ZINC000899380563 622228314 /nfs/dbraw/zinc/22/83/14/622228314.db2.gz HDGXLRPYQALDKF-TXEJJXNPSA-N -1 1 274.345 1.699 10 30 CDEEMM Cn1nnc(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC000904192426 626216214 /nfs/dbraw/zinc/21/62/14/626216214.db2.gz LNJZXNKAQOPJOP-UHFFFAOYSA-N -1 1 275.312 1.064 10 30 CDEEMM C=CC(C)(C)CCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000910189554 628902232 /nfs/dbraw/zinc/90/22/32/628902232.db2.gz BAYSYEXLJYDGAG-GFCCVEGCSA-N -1 1 282.384 1.502 10 30 CDEEMM Cc1cc([O-])c(C(=O)C=Cc2cc3n(n2)CCC3)c(=O)o1 ZINC000849241829 677815160 /nfs/dbraw/zinc/81/51/60/677815160.db2.gz OMIJMQFUQSDETI-ISZGNANSSA-N -1 1 286.287 1.058 10 30 CDEEMM C#CCC[C@H](O)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000799078306 677750395 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ZINC001629758952 1166162686 /nfs/dbraw/zinc/16/26/86/1166162686.db2.gz YTPDMAVKOHCMON-LLVKDONJSA-N -1 1 259.265 1.268 10 30 CDEEMM C#CCN(CC#CC)C(=O)c1cnc(SC)[n-]c1=O ZINC001630057153 1166182256 /nfs/dbraw/zinc/18/22/56/1166182256.db2.gz CZWPGSKIUUFVEE-UHFFFAOYSA-N -1 1 275.333 1.003 10 30 CDEEMM C=CCCO[N-]C(=O)c1c[nH]c2ccccc2c1=O ZINC001634248308 1166483042 /nfs/dbraw/zinc/48/30/42/1166483042.db2.gz YRTWSMRYMNSGRY-UHFFFAOYSA-N -1 1 258.277 1.766 10 30 CDEEMM C=CCO[C@H]1CCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001637184312 1166734104 /nfs/dbraw/zinc/73/41/04/1166734104.db2.gz FDMIZGVDZVGOMA-NSHDSACASA-N -1 1 265.284 1.948 10 30 CDEEMM C=CC[C@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)c1ccccc1 ZINC001642460203 1167176026 /nfs/dbraw/zinc/17/60/26/1167176026.db2.gz OOQMEZFWAMDNFS-LBPRGKRZSA-N -1 1 299.330 1.864 10 30 CDEEMM C=CCCC[C@H](NC(=O)c1ncc(C)cc1[O-])C(=O)OC ZINC001644823295 1167351604 /nfs/dbraw/zinc/35/16/04/1167351604.db2.gz RPQAWPSISHVHBN-NSHDSACASA-N -1 1 292.335 1.723 10 30 CDEEMM C=C(C)C[C@@H](CO)NC(=O)c1ccc(F)c([O-])c1 ZINC001650974370 1171275374 /nfs/dbraw/zinc/27/53/74/1171275374.db2.gz CMSJPDWDIYSFMH-JTQLQIEISA-N -1 1 253.273 1.588 10 30 CDEEMM C[C@H](Cc1cnc[nH]1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC001598122058 1174307537 /nfs/dbraw/zinc/30/75/37/1174307537.db2.gz LGAGHQLSPOYALP-SECBINFHSA-N -1 1 270.292 1.804 10 30 CDEEMM C=CCCCC[N-]S(=O)(=O)c1csnc1OC ZINC001463579724 969742551 /nfs/dbraw/zinc/74/25/51/969742551.db2.gz TUAQAZLFCAVUTO-UHFFFAOYSA-N -1 1 276.383 1.786 10 30 CDEEMM CC1=NC(=O)NC1C(=O)[N-]Oc1cccc(C#N)c1 ZINC001643520426 1167255728 /nfs/dbraw/zinc/25/57/28/1167255728.db2.gz KGWXVIIIARHCCX-UHFFFAOYSA-N -1 1 258.237 1.019 10 30 CDEEMM O=S1(=O)[N-]/C(=N/[C@@H]2C[C@H]2C2CC2)c2ccccc21 ZINC000716582260 921207724 /nfs/dbraw/zinc/20/77/24/921207724.db2.gz XEMOEAHKFROUJB-WDEREUQCSA-N -1 1 262.334 1.524 10 30 CDEEMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(C#N)s2)n1 ZINC001411372083 930423862 /nfs/dbraw/zinc/42/38/62/930423862.db2.gz QRWOKYUCMRDRNJ-UHFFFAOYSA-N -1 1 290.304 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