smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1ncsc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000550289817 674088246 /nfs/dbraw/zinc/08/82/46/674088246.db2.gz SDERMDUUHRMZNB-UHFFFAOYSA-N -1 1 354.395 2.053 20 30 FEEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000055632794 540666362 /nfs/dbraw/zinc/66/63/62/540666362.db2.gz ILOHKXUYSFIMBY-UHFFFAOYSA-N -1 1 368.418 2.346 20 30 FEEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1 ZINC000114673275 543529360 /nfs/dbraw/zinc/52/93/60/543529360.db2.gz XKGKAGGSMHSVIW-UHFFFAOYSA-N -1 1 350.421 2.071 20 30 FEEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)CC2 ZINC000122849097 543727303 /nfs/dbraw/zinc/72/73/03/543727303.db2.gz MCSFXDFSVODZJD-UHFFFAOYSA-N -1 1 355.419 2.296 20 30 FEEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)c1cccc(C#N)c1 ZINC000149367129 544456488 /nfs/dbraw/zinc/45/64/88/544456488.db2.gz AHHDECKODAQUFM-UHFFFAOYSA-N -1 1 359.389 2.218 20 30 FEEDMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)co1 ZINC000154418863 544904489 /nfs/dbraw/zinc/90/44/89/544904489.db2.gz XQYXGWDAWWAZEV-JKSUJKDBSA-N -1 1 373.434 2.100 20 30 FEEDMM CC[C@@](C)(C#N)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000803784509 674259671 /nfs/dbraw/zinc/25/96/71/674259671.db2.gz PYQFEHAEBZLGTJ-INIZCTEOSA-N -1 1 354.309 2.027 20 30 FEEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C#N)cc2OC)o1 ZINC000185761769 327932039 /nfs/dbraw/zinc/93/20/39/327932039.db2.gz BCYOGHINWDBVBU-AWEZNQCLSA-N -1 1 364.423 2.388 20 30 FEEDMM CCOc1cccc(N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)n1 ZINC000188306721 328079476 /nfs/dbraw/zinc/07/94/76/328079476.db2.gz HKZQFRSXDKOQPT-UHFFFAOYSA-N -1 1 352.394 2.020 20 30 FEEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000188394143 328084623 /nfs/dbraw/zinc/08/46/23/328084623.db2.gz ROSRQNJFWHAURQ-MRXNPFEDSA-N -1 1 353.353 2.280 20 30 FEEDMM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189007295 328122994 /nfs/dbraw/zinc/12/29/94/328122994.db2.gz HBOVZSNXNKTCSD-OAHLLOKOSA-N -1 1 358.419 2.246 20 30 FEEDMM N#Cc1ccc(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)cc1[O-] ZINC000190098287 328188048 /nfs/dbraw/zinc/18/80/48/328188048.db2.gz NNMDDJVHDMRQNS-UHFFFAOYSA-N -1 1 367.380 2.391 20 30 FEEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2nncn2C)c1 ZINC000076935944 324969648 /nfs/dbraw/zinc/96/96/48/324969648.db2.gz XWMINHQPQJLSLY-UHFFFAOYSA-N -1 1 353.407 2.463 20 30 FEEDMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000120566294 326269119 /nfs/dbraw/zinc/26/91/19/326269119.db2.gz QQUVNNXTVGUAPH-UHFFFAOYSA-N -1 1 350.421 2.153 20 30 FEEDMM Cn1ccnc1C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000120888161 326296534 /nfs/dbraw/zinc/29/65/34/326296534.db2.gz XYVXHHCNDRAKBY-UHFFFAOYSA-N -1 1 366.402 2.324 20 30 FEEDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CCN1C(=O)OC(C)(C)C ZINC000805081634 674317598 /nfs/dbraw/zinc/31/75/98/674317598.db2.gz YANHUWVPCJKFOT-NWDGAFQWSA-N -1 1 369.443 2.218 20 30 FEEDMM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1nccs1 ZINC000157832991 545789373 /nfs/dbraw/zinc/78/93/73/545789373.db2.gz LAJJIFDAXBGQKO-SNVBAGLBSA-N -1 1 352.397 2.353 20 30 FEEDMM CC(C)[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1nc(-c2cccnc2)no1 ZINC000165116193 546152094 /nfs/dbraw/zinc/15/20/94/546152094.db2.gz LVVFDRMGPGWTCZ-ZDUSSCGKSA-N -1 1 361.427 2.052 20 30 FEEDMM C=CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000177279672 546586500 /nfs/dbraw/zinc/58/65/00/546586500.db2.gz QNSNIGOWZSAXOC-CQSZACIVSA-N -1 1 357.859 2.423 20 30 FEEDMM C=CCOc1ccc(C=CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1OC ZINC000183417238 547654293 /nfs/dbraw/zinc/65/42/93/547654293.db2.gz HGXVFEUQVZLDGX-BUUCAEBMSA-N -1 1 357.414 2.048 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)c([N+](=O)[O-])c1 ZINC000485265379 561316003 /nfs/dbraw/zinc/31/60/03/561316003.db2.gz LHEXPDUXCWKKFX-UHFFFAOYSA-N -1 1 365.298 2.105 20 30 FEEDMM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186842327 548204460 /nfs/dbraw/zinc/20/44/60/548204460.db2.gz MPUDINMRYAAKOC-UHFFFAOYSA-N -1 1 365.267 2.496 20 30 FEEDMM CN1C(=O)c2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2C1=O ZINC000190894804 548336691 /nfs/dbraw/zinc/33/66/91/548336691.db2.gz YTYBCQYINAUNLZ-AWEZNQCLSA-N -1 1 356.341 2.346 20 30 FEEDMM C=CCN(CCOC)C(=O)c1ccc(I)c([O-])c1 ZINC000234672761 548764608 /nfs/dbraw/zinc/76/46/08/548764608.db2.gz PZHLWYSNGBCXQO-UHFFFAOYSA-N -1 1 361.179 2.271 20 30 FEEDMM Cc1nc(C2([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)CCCCC2)no1 ZINC000489119994 561403798 /nfs/dbraw/zinc/40/37/98/561403798.db2.gz YJMOHDRQENQKHX-UHFFFAOYSA-N -1 1 361.427 2.091 20 30 FEEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000489556618 561414170 /nfs/dbraw/zinc/41/41/70/561414170.db2.gz ZRRYKGVTMPQNGH-VIFPVBQESA-N -1 1 352.391 2.417 20 30 FEEDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000278059140 550744238 /nfs/dbraw/zinc/74/42/38/550744238.db2.gz YUGSFVAYXHMUIJ-UHFFFAOYSA-N -1 1 368.397 2.265 20 30 FEEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000281449709 551098917 /nfs/dbraw/zinc/09/89/17/551098917.db2.gz OMZDWQFRCHHXFM-AUUYWEPGSA-N -1 1 358.442 2.082 20 30 FEEDMM CC(C)C(=O)Nc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000496725651 561495411 /nfs/dbraw/zinc/49/54/11/561495411.db2.gz ZKWIIVDCONSOLG-AWEZNQCLSA-N -1 1 366.425 2.484 20 30 FEEDMM CO/N=C/c1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281860897 551149672 /nfs/dbraw/zinc/14/96/72/551149672.db2.gz YQYWWPCWIZPUOS-SSDVNMTOSA-N -1 1 371.359 2.198 20 30 FEEDMM N#Cc1ccc([N+](=O)[O-])c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281959666 551163098 /nfs/dbraw/zinc/16/30/98/551163098.db2.gz SUGZCABEROKSHZ-UHFFFAOYSA-N -1 1 356.304 2.361 20 30 FEEDMM N#Cc1cc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000290648263 552512859 /nfs/dbraw/zinc/51/28/59/552512859.db2.gz INDBYBCUOUGGEK-JTQLQIEISA-N -1 1 356.304 2.361 20 30 FEEDMM Cc1nnc(NC(=O)[C@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000505462073 561671525 /nfs/dbraw/zinc/67/15/25/561671525.db2.gz OONVHGDHTAFXKK-MRVPVSSYSA-N -1 1 360.424 2.420 20 30 FEEDMM N#CCN1CCC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000318613088 553763136 /nfs/dbraw/zinc/76/31/36/553763136.db2.gz CBZPCNNPRUTJDT-UHFFFAOYSA-N -1 1 366.245 2.399 20 30 FEEDMM N=c1nc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)s[n-]1 ZINC000330244487 554092449 /nfs/dbraw/zinc/09/24/49/554092449.db2.gz XGVOHDVTKBSOMT-BFHYXJOUSA-N -1 1 364.519 2.515 20 30 FEEDMM N#CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000509395908 561797704 /nfs/dbraw/zinc/79/77/04/561797704.db2.gz GGDQHSGKWUSPLZ-UHFFFAOYSA-N -1 1 361.335 2.160 20 30 FEEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCCC#N ZINC000509985272 561820801 /nfs/dbraw/zinc/82/08/01/561820801.db2.gz VHCAGXGSLNFKKA-UHFFFAOYSA-N -1 1 351.211 2.362 20 30 FEEDMM N#Cc1cccc([C@@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)CCO2)c1 ZINC000360732809 554887338 /nfs/dbraw/zinc/88/73/38/554887338.db2.gz JVBGKRJXOGWAQI-KRWDZBQOSA-N -1 1 360.373 2.008 20 30 FEEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](C(=O)N=c2cc[nH][nH]2)c2ccccc2)c1 ZINC000614367151 555043422 /nfs/dbraw/zinc/04/34/22/555043422.db2.gz TVGIJGJDKIMWOZ-KRWDZBQOSA-N -1 1 361.361 2.097 20 30 FEEDMM COc1ccc(NC(=O)c2cccc(C#N)c2C)cc1[N-]S(C)(=O)=O ZINC000512330965 561900697 /nfs/dbraw/zinc/90/06/97/561900697.db2.gz LRVYIBBXNAGAOT-UHFFFAOYSA-N -1 1 359.407 2.499 20 30 FEEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1NS(C)(=O)=O ZINC000513408976 561937345 /nfs/dbraw/zinc/93/73/45/561937345.db2.gz RCYMKGIDLNRZFF-UHFFFAOYSA-N -1 1 365.436 2.039 20 30 FEEDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc(C#N)c3C)CC2)n1 ZINC000513705149 561947122 /nfs/dbraw/zinc/94/71/22/561947122.db2.gz NZVJVEDXQDUYKV-UHFFFAOYSA-N -1 1 367.409 2.181 20 30 FEEDMM C[C@H]1CC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])=NO1 ZINC000372327151 557440692 /nfs/dbraw/zinc/44/06/92/557440692.db2.gz VEWAAOFWDNOIDE-LRDDRELGSA-N -1 1 367.405 2.389 20 30 FEEDMM N#CC1(CS(=O)(=O)[N-]Cc2noc(-c3ccccc3F)n2)CCCC1 ZINC000519739305 562141953 /nfs/dbraw/zinc/14/19/53/562141953.db2.gz STWJESGFZQQUBT-UHFFFAOYSA-N -1 1 364.402 2.379 20 30 FEEDMM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000376353558 558161990 /nfs/dbraw/zinc/16/19/90/558161990.db2.gz YWHUPIHSZGTPDB-GDBMZVCRSA-N -1 1 367.377 2.153 20 30 FEEDMM C[C@@H](Cc1nc(-c2ccccc2)no1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000376384070 558166181 /nfs/dbraw/zinc/16/61/81/558166181.db2.gz POQASXVGIDEBCH-NSHDSACASA-N -1 1 358.379 2.111 20 30 FEEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 ZINC000409911629 558727040 /nfs/dbraw/zinc/72/70/40/558727040.db2.gz NLQHGNUQAAJEAE-QMMMGPOBSA-N -1 1 350.176 2.126 20 30 FEEDMM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000416673462 559329118 /nfs/dbraw/zinc/32/91/18/559329118.db2.gz UBFGWPPSEXAUFK-UHFFFAOYSA-N -1 1 374.216 2.329 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)cc1F ZINC000427347349 559753873 /nfs/dbraw/zinc/75/38/73/559753873.db2.gz NTKVRVHGUOVHBS-UHFFFAOYSA-N -1 1 361.333 2.422 20 30 FEEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(N)=O)ccc1C#N ZINC000435732985 559929138 /nfs/dbraw/zinc/92/91/38/559929138.db2.gz SPXJJKSZSIOECZ-UHFFFAOYSA-N -1 1 356.407 2.109 20 30 FEEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)ccc1C#N ZINC000435763220 559929784 /nfs/dbraw/zinc/92/97/84/559929784.db2.gz VOIQIUMJQGATIG-UHFFFAOYSA-N -1 1 353.407 2.463 20 30 FEEDMM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccccc2C#N)no1 ZINC000438883164 559984965 /nfs/dbraw/zinc/98/49/65/559984965.db2.gz LWCKASADKYNIQO-UHFFFAOYSA-N -1 1 354.391 2.395 20 30 FEEDMM CC(C)OCCCNC(=O)C1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000442953379 560063603 /nfs/dbraw/zinc/06/36/03/560063603.db2.gz AFPKNIIYXHYANP-UHFFFAOYSA-N -1 1 373.453 2.047 20 30 FEEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)cc1[O-] ZINC000443281375 560077601 /nfs/dbraw/zinc/07/76/01/560077601.db2.gz FRQKMZMFGNMAQM-GOSISDBHSA-N -1 1 363.417 2.227 20 30 FEEDMM N#Cc1ccc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1[O-] ZINC000443291185 560078114 /nfs/dbraw/zinc/07/81/14/560078114.db2.gz FBZILSDEGMMBAK-SQNIBIBYSA-N -1 1 361.401 2.151 20 30 FEEDMM CSCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451212255 560293391 /nfs/dbraw/zinc/29/33/91/560293391.db2.gz ADAINJHQVIDMML-UHFFFAOYSA-N -1 1 367.265 2.491 20 30 FEEDMM C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000468714466 560936775 /nfs/dbraw/zinc/93/67/75/560936775.db2.gz LCLHSVKNBOHXQU-QVKFZJNVSA-N -1 1 366.417 2.446 20 30 FEEDMM CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475789845 561105421 /nfs/dbraw/zinc/10/54/21/561105421.db2.gz NJFVYLOXTRPRSQ-UHFFFAOYSA-N -1 1 373.434 2.068 20 30 FEEDMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000737296722 598949249 /nfs/dbraw/zinc/94/92/49/598949249.db2.gz NBBLXBSDSJUBLK-UHFFFAOYSA-N -1 1 354.395 2.156 20 30 FEEDMM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC000735922266 599012948 /nfs/dbraw/zinc/01/29/48/599012948.db2.gz DWAHGKVXOWEKLK-OLZOCXBDSA-N -1 1 362.397 2.327 20 30 FEEDMM COc1ccccc1[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])N1CCCCC1 ZINC000820876817 597636917 /nfs/dbraw/zinc/63/69/17/597636917.db2.gz ZPXFNTCFPJCGFH-UZLBHIALSA-N -1 1 373.453 2.343 20 30 FEEDMM N#CC(C(=O)c1ccc(C(=O)[O-])cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000821320637 598160158 /nfs/dbraw/zinc/16/01/58/598160158.db2.gz SGDKSSPNNTUCKT-AWEZNQCLSA-N -1 1 374.360 2.386 20 30 FEEDMM C(=NN=c1nc[nH]c2sc3c(c21)CCC3)c1ccc(-c2nnn[n-]2)o1 ZINC000819718290 599331091 /nfs/dbraw/zinc/33/10/91/599331091.db2.gz DRVDCGXJPTUYJY-UHFFFAOYSA-N -1 1 352.383 2.399 20 30 FEEDMM C(=NN=c1nc[nH]c2sc3c(c21)CCC3)c1ccc(-c2nn[n-]n2)o1 ZINC000819718290 599331094 /nfs/dbraw/zinc/33/10/94/599331094.db2.gz DRVDCGXJPTUYJY-UHFFFAOYSA-N -1 1 352.383 2.399 20 30 FEEDMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000736662312 600591969 /nfs/dbraw/zinc/59/19/69/600591969.db2.gz NZIZTGJCWRMLHV-YVEFUNNKSA-N -1 1 358.419 2.438 20 30 FEEDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000827369391 601293934 /nfs/dbraw/zinc/29/39/34/601293934.db2.gz WZVZSWCHRYOJCU-ZDUSSCGKSA-N -1 1 361.446 2.127 20 30 FEEDMM COc1cc(OC)c(OC)cc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832034613 601298642 /nfs/dbraw/zinc/29/86/42/601298642.db2.gz ZVEOHRNPDKFLNM-SFHVURJKSA-N -1 1 356.378 2.500 20 30 FEEDMM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OC)c1OC ZINC000832341033 601302065 /nfs/dbraw/zinc/30/20/65/601302065.db2.gz HMTBSRZXTZBANH-MRXNPFEDSA-N -1 1 356.378 2.500 20 30 FEEDMM N#Cc1ccc(CNC(=O)CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000740312042 601927276 /nfs/dbraw/zinc/92/72/76/601927276.db2.gz ABCJFRLPROFKGA-QZTJIDSGSA-N -1 1 370.453 2.171 20 30 FEEDMM C[C@H](Oc1ccc(C=NNc2ccccc2S(C)(=O)=O)cc1)C(=O)[O-] ZINC000794912451 602075790 /nfs/dbraw/zinc/07/57/90/602075790.db2.gz FDHBTCCQRSCCEC-LBPRGKRZSA-N -1 1 362.407 2.388 20 30 FEEDMM C[C@@H](NC(=O)[O-])C1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 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C#CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000138495372 672144311 /nfs/dbraw/zinc/14/43/11/672144311.db2.gz JRHBZCCEPUIELC-UHFFFAOYSA-N -1 1 356.403 2.053 20 30 FEEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c(F)c1 ZINC000610705980 675990709 /nfs/dbraw/zinc/99/07/09/675990709.db2.gz UCYJFFJZSULCPT-UHFFFAOYSA-N -1 1 361.333 2.218 20 30 FEEDMM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)n(-c2ccncc2)n1 ZINC000589585613 672532455 /nfs/dbraw/zinc/53/24/55/672532455.db2.gz GTUNMPHPLWGZAM-UHFFFAOYSA-N -1 1 353.407 2.443 20 30 FEEDMM N#C[C@@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000236581240 672801722 /nfs/dbraw/zinc/80/17/22/672801722.db2.gz UPSYENOPHFZVMA-VIFPVBQESA-N -1 1 356.163 2.373 20 30 FEEDMM CCOC(=O)C1=C(C(=O)CC)[C@@H](c2ccc([O-])c(Cl)c2)NC(=S)N1 ZINC000299294680 673015201 /nfs/dbraw/zinc/01/52/01/673015201.db2.gz MFYFQNKJGCONCQ-CYBMUJFWSA-N -1 1 368.842 2.361 20 30 FEEDMM Cc1cnc(Br)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000312713998 673029152 /nfs/dbraw/zinc/02/91/52/673029152.db2.gz HPXSPJIMQRNIHK-UHFFFAOYSA-N -1 1 353.201 2.220 20 30 FEEDMM N#C[C@]1(NC(=O)c2ccc(I)c([O-])c2)CCSC1 ZINC000612823105 676099842 /nfs/dbraw/zinc/09/98/42/676099842.db2.gz VCXCCQRYOISQRW-GFCCVEGCSA-N -1 1 374.203 2.126 20 30 FEEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000730996262 673297516 /nfs/dbraw/zinc/29/75/16/673297516.db2.gz JZLHEGXZAQPQDO-UHFFFAOYSA-N -1 1 362.363 2.416 20 30 FEEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000797463573 683253488 /nfs/dbraw/zinc/25/34/88/683253488.db2.gz IONKSCHZKYZDJB-UHFFFAOYSA-N -1 1 350.625 2.080 20 30 FEEDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c1F ZINC000599306299 673656182 /nfs/dbraw/zinc/65/61/82/673656182.db2.gz FFEBQCYPACXSNK-UHFFFAOYSA-N -1 1 360.382 2.360 20 30 FEEDMM Cc1cc(C2([N-]S(=O)(=O)c3cccc(C)c3C#N)CCOCC2)on1 ZINC000599515308 673687409 /nfs/dbraw/zinc/68/74/09/673687409.db2.gz QZXOXNWOHLQTOG-UHFFFAOYSA-N -1 1 361.423 2.147 20 30 FEEDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)CC2(C#N)CCCC2)C(=O)N1c1ccccc1 ZINC000545366092 673763466 /nfs/dbraw/zinc/76/34/66/673763466.db2.gz IQTIHCWQOSHINP-GOEBONIOSA-N -1 1 361.467 2.184 20 30 FEEDMM CCCN(CCC)S(=O)(=O)[N-]c1nn(-c2ccc(C#N)cn2)cc1C ZINC000545888174 673780416 /nfs/dbraw/zinc/78/04/16/673780416.db2.gz HYOAXCKEKYRBEM-UHFFFAOYSA-N -1 1 362.459 2.226 20 30 FEEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2c(F)cccc2F)cc1 ZINC000746491764 673881120 /nfs/dbraw/zinc/88/11/20/673881120.db2.gz LRNJNYWLAANVIO-UHFFFAOYSA-N -1 1 355.322 2.327 20 30 FEEDMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1(C)C ZINC000819889898 675319994 /nfs/dbraw/zinc/31/99/94/675319994.db2.gz IMXZDVFGUKHBPR-VXGBXAGGSA-N -1 1 369.443 2.121 20 30 FEEDMM N#Cc1ncn(Cc2ncc(-c3cccc(Cl)c3)o2)c1-c1nn[n-]n1 ZINC000826388015 675687770 /nfs/dbraw/zinc/68/77/70/675687770.db2.gz DXBZQMHEYLSRNO-UHFFFAOYSA-N -1 1 352.745 2.292 20 30 FEEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000826383330 675687795 /nfs/dbraw/zinc/68/77/95/675687795.db2.gz VRIFVFOEBHRJJA-UHFFFAOYSA-N -1 1 352.745 2.292 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3)cc1Cl ZINC000603983624 675802732 /nfs/dbraw/zinc/80/27/32/675802732.db2.gz IDFDQKKEXFKNRU-UHFFFAOYSA-N -1 1 363.782 2.343 20 30 FEEDMM Cn1cnc(-c2cccc([N-]S(=O)(=O)c3cccc(CC#N)c3)c2)n1 ZINC000619463693 676377818 /nfs/dbraw/zinc/37/78/18/676377818.db2.gz OPODHQGMJAAMJJ-UHFFFAOYSA-N -1 1 353.407 2.349 20 30 FEEDMM CN1c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2CCC1=O ZINC000619462773 676377854 /nfs/dbraw/zinc/37/78/54/676377854.db2.gz LUXGXFLAZYEBOP-UHFFFAOYSA-N -1 1 355.419 2.462 20 30 FEEDMM C=CCSc1ccccc1NC(=O)CN1CC[C@](COC)(C(=O)[O-])C1 ZINC000635020399 677087651 /nfs/dbraw/zinc/08/76/51/677087651.db2.gz NAJXTMBYAOYLNT-SFHVURJKSA-N -1 1 364.467 2.326 20 30 FEEDMM CCOC(=O)[C@@H]1CCC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C[C@@H]1C ZINC000758098885 680555089 /nfs/dbraw/zinc/55/50/89/680555089.db2.gz XBWUFDXVLUORKX-WCQYABFASA-N -1 1 363.439 2.080 20 30 FEEDMM NS(=O)(=O)c1ccc(NN=Cc2cc(Cl)c([O-])cc2Cl)nc1 ZINC000758105333 680555535 /nfs/dbraw/zinc/55/55/35/680555535.db2.gz ARJHUSZMNWUPOW-UHFFFAOYSA-N -1 1 361.210 2.187 20 30 FEEDMM COc1c([O-])c(C=NN2C(=S)N=NC2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000773028738 681122009 /nfs/dbraw/zinc/12/20/09/681122009.db2.gz SPVVAEUYXCFJEW-UHFFFAOYSA-N -1 1 351.388 2.369 20 30 FEEDMM COc1c([O-])c(C=NNc2ccccc2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000773053916 681122706 /nfs/dbraw/zinc/12/27/06/681122706.db2.gz OIRKJGFIILJNBO-UHFFFAOYSA-N -1 1 365.367 2.159 20 30 FEEDMM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc1C ZINC000774054692 681166578 /nfs/dbraw/zinc/16/65/78/681166578.db2.gz LQLFYJFUZYYBAT-GFCCVEGCSA-N -1 1 357.391 2.492 20 30 FEEDMM CCN1C(=S)N=NC1C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000776651519 681422395 /nfs/dbraw/zinc/42/23/95/681422395.db2.gz HJZZZQOWTLEOAD-UHFFFAOYSA-N -1 1 357.439 2.184 20 30 FEEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000848341688 681524879 /nfs/dbraw/zinc/52/48/79/681524879.db2.gz QICSNBBHAIXCSL-BXUZGUMPSA-N -1 1 353.344 2.159 20 30 FEEDMM C[C@@](C#N)(NC(=O)COC(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000778829988 681653763 /nfs/dbraw/zinc/65/37/63/681653763.db2.gz VPAAFNVWTIJTDI-HNNXBMFYSA-N -1 1 367.199 2.120 20 30 FEEDMM Cc1ccc(C#N)cc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000936049563 681883998 /nfs/dbraw/zinc/88/39/98/681883998.db2.gz RHDWYCNADSCGIZ-CYBMUJFWSA-N -1 1 353.344 2.397 20 30 FEEDMM COC[C@@H](OC)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000850740424 681954082 /nfs/dbraw/zinc/95/40/82/681954082.db2.gz WBNKHWYQTAEFRK-GHMZBOCLSA-N -1 1 361.423 2.113 20 30 FEEDMM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000855492400 682676480 /nfs/dbraw/zinc/67/64/80/682676480.db2.gz BFYCRZDOHSFGBJ-UHFFFAOYSA-N -1 1 353.802 2.471 20 30 FEEDMM CC(N=Nc1ccccc1S(=O)(=O)N(C)C)c1ccc(C(=O)[O-])o1 ZINC000793193726 682871090 /nfs/dbraw/zinc/87/10/90/682871090.db2.gz OZTULLSPEAOJAF-UHFFFAOYSA-N -1 1 351.384 2.064 20 30 FEEDMM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000794581294 682981432 /nfs/dbraw/zinc/98/14/32/682981432.db2.gz SNCVTHNFEUERPS-UHFFFAOYSA-N -1 1 359.407 2.138 20 30 FEEDMM CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000794596836 682982648 /nfs/dbraw/zinc/98/26/48/682982648.db2.gz QATGDXGKTPXJDG-UHFFFAOYSA-N -1 1 355.419 2.462 20 30 FEEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859176366 683051295 /nfs/dbraw/zinc/05/12/95/683051295.db2.gz USSNPQXVDGVBFE-IUCAKERBSA-N -1 1 362.224 2.344 20 30 FEEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000859423375 683106941 /nfs/dbraw/zinc/10/69/41/683106941.db2.gz CIEINWXFSZHFNG-VIFPVBQESA-N -1 1 364.782 2.094 20 30 FEEDMM C#C[C@H]1CC[C@H](NC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CC1 ZINC000873295350 685105951 /nfs/dbraw/zinc/10/59/51/685105951.db2.gz GHVQNPJWABRNLH-SYQHCUMBSA-N -1 1 359.392 2.277 20 30 FEEDMM C#CC[C@H](COC)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882466489 687371475 /nfs/dbraw/zinc/37/14/75/687371475.db2.gz RMMAVYQVFJWDHW-MRVPVSSYSA-N -1 1 356.753 2.070 20 30 FEEDMM C=CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000897223532 689990884 /nfs/dbraw/zinc/99/08/84/689990884.db2.gz PWWYPHJQWGOMAP-ZDUSSCGKSA-N -1 1 361.419 2.066 20 30 FEEDMM [O-]c1cc(Br)cnc1C=NN1C(=S)N=NC1[C@@H]1CCCO1 ZINC000901154379 690619453 /nfs/dbraw/zinc/61/94/53/690619453.db2.gz BGHPEBRWQQBXPC-JTQLQIEISA-N -1 1 370.232 2.164 20 30 FEEDMM C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000044801839 540141889 /nfs/dbraw/zinc/14/18/89/540141889.db2.gz KDHVZBLTXBCBFF-CYBMUJFWSA-N -1 1 367.471 2.068 20 30 FEEDMM Cc1csc(C(C#N)=C([O-])c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000047357915 540304873 /nfs/dbraw/zinc/30/48/73/540304873.db2.gz TZMYOZALZFZMKI-NSHDSACASA-N -1 1 354.351 2.431 20 30 FEEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(C#N)c2)o1 ZINC000048154119 540347600 /nfs/dbraw/zinc/34/76/00/540347600.db2.gz JGIJHNJKKOWRMO-UHFFFAOYSA-N -1 1 361.423 2.158 20 30 FEEDMM CCOc1ccccc1OCCCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000064347965 541202010 /nfs/dbraw/zinc/20/20/10/541202010.db2.gz BWVHKBSZWUDWDD-UHFFFAOYSA-N -1 1 368.415 2.054 20 30 FEEDMM CCOc1ccccc1OCCCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000064347965 541202015 /nfs/dbraw/zinc/20/20/15/541202015.db2.gz BWVHKBSZWUDWDD-UHFFFAOYSA-N -1 1 368.415 2.054 20 30 FEEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(CCC#N)CCC(C)C ZINC000103440187 543106802 /nfs/dbraw/zinc/10/68/02/543106802.db2.gz CBVRTVYYOXANPC-UHFFFAOYSA-N -1 1 367.453 2.471 20 30 FEEDMM C[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000125786711 543901485 /nfs/dbraw/zinc/90/14/85/543901485.db2.gz JPRDDUCNNWXWMC-JTQLQIEISA-N -1 1 365.361 2.407 20 30 FEEDMM C[C@](C#N)(NC(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1)C1CC1 ZINC000127759561 544012056 /nfs/dbraw/zinc/01/20/56/544012056.db2.gz KQJPDSKUCWIGOV-HXUWFJFHSA-N -1 1 355.438 2.095 20 30 FEEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)c(C#N)c2)o1 ZINC000150783259 544470166 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/nfs/dbraw/zinc/57/39/33/607573933.db2.gz DPXNSFOKGWHVSB-UHFFFAOYSA-N -1 1 361.770 2.159 20 30 FEEDMM N#Cc1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826387054 607573934 /nfs/dbraw/zinc/57/39/34/607573934.db2.gz DPXNSFOKGWHVSB-UHFFFAOYSA-N -1 1 361.770 2.159 20 30 FEEDMM COc1cccc(NC(=O)C(C#N)C(=O)c2ccc(CNC(=O)[O-])o2)c1 ZINC000829572288 604221857 /nfs/dbraw/zinc/22/18/57/604221857.db2.gz XUSCPCZWLLCSRJ-ZDUSSCGKSA-N -1 1 357.322 2.017 20 30 FEEDMM C=CCC[C@H](O)CN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000825665007 604360163 /nfs/dbraw/zinc/36/01/63/604360163.db2.gz SONIWICHJUCYMJ-IRXDYDNUSA-N -1 1 352.862 2.410 20 30 FEEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)NC(=O)CO2 ZINC000823542407 606389887 /nfs/dbraw/zinc/38/98/87/606389887.db2.gz VWYBBPBZHUKOIQ-DUXPYHPUSA-N -1 1 353.363 2.155 20 30 FEEDMM CC(=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O)c1ccc2ccccc2n1 ZINC000819782448 606617156 /nfs/dbraw/zinc/61/71/56/606617156.db2.gz LZLYGBGISWWDBK-UHFFFAOYSA-N -1 1 359.393 2.466 20 30 FEEDMM C=CCOc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000819759042 606647474 /nfs/dbraw/zinc/64/74/74/606647474.db2.gz MGRFYNPCEQYFBC-UHFFFAOYSA-N -1 1 367.365 2.192 20 30 FEEDMM C=CCOc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000819759042 606647475 /nfs/dbraw/zinc/64/74/75/606647475.db2.gz MGRFYNPCEQYFBC-UHFFFAOYSA-N -1 1 367.365 2.192 20 30 FEEDMM C#CCOCCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000823850587 607903257 /nfs/dbraw/zinc/90/32/57/607903257.db2.gz RYKLPOODFLXXGO-UHFFFAOYSA-N -1 1 367.434 2.251 20 30 FEEDMM Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@](C)(C#N)C2)c(-c2nn[n-]n2)c1C ZINC000826341668 608126154 /nfs/dbraw/zinc/12/61/54/608126154.db2.gz NDVWGFQBDOPPQN-DIFFPNOSSA-N -1 1 357.418 2.029 20 30 FEEDMM C[C@@H](CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)Cc1ccc(Cl)cc1 ZINC000824384948 608278480 /nfs/dbraw/zinc/27/84/80/608278480.db2.gz IKCDOMLHAWUCKQ-SECBINFHSA-N -1 1 370.804 2.322 20 30 FEEDMM C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccccc1 ZINC000823937483 608392737 /nfs/dbraw/zinc/39/27/37/608392737.db2.gz ZSOOBYLGXIKBNO-UHFFFAOYSA-N -1 1 363.410 2.252 20 30 FEEDMM C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccccc1 ZINC000823937483 608392742 /nfs/dbraw/zinc/39/27/42/608392742.db2.gz ZSOOBYLGXIKBNO-UHFFFAOYSA-N -1 1 363.410 2.252 20 30 FEEDMM COc1cc(C)nc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c1 ZINC000826178351 609160331 /nfs/dbraw/zinc/16/03/31/609160331.db2.gz UPHHQSGZPNZSOY-UHFFFAOYSA-N -1 1 356.390 2.211 20 30 FEEDMM N#Cc1cc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)ccn1 ZINC000826383784 609279556 /nfs/dbraw/zinc/27/95/56/609279556.db2.gz PXSSTUUFHFJLIA-UHFFFAOYSA-N -1 1 361.344 2.070 20 30 FEEDMM COC(=O)COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826138529 609441888 /nfs/dbraw/zinc/44/18/88/609441888.db2.gz YKTGWOSEDIVAHX-QPJJXVBHSA-N -1 1 370.390 2.376 20 30 FEEDMM COC(=O)COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826138529 609441891 /nfs/dbraw/zinc/44/18/91/609441891.db2.gz YKTGWOSEDIVAHX-QPJJXVBHSA-N -1 1 370.390 2.376 20 30 FEEDMM CC(C)(C)N1CC[C@](F)(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000810676510 674556650 /nfs/dbraw/zinc/55/66/50/674556650.db2.gz ZLXSLGRPFIQUOB-QGZVFWFLSA-N -1 1 373.494 2.119 20 30 FEEDMM O=C(Nc1nc(C=C([O-])NC2=NCCS2)cs1)c1ccccc1F ZINC000047057365 670234468 /nfs/dbraw/zinc/23/44/68/670234468.db2.gz XZQSBYQSZAILAB-UHFFFAOYSA-N -1 1 364.427 2.296 20 30 FEEDMM C=CCCN(OCc1ccccc1)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000189902893 672627452 /nfs/dbraw/zinc/62/74/52/672627452.db2.gz TXBBRDUPVKWFRL-UHFFFAOYSA-N -1 1 364.423 2.338 20 30 FEEDMM CC[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)OC(C)(C)C ZINC000592098247 672755588 /nfs/dbraw/zinc/75/55/88/672755588.db2.gz GUVYMAAHSSOKOZ-AWEZNQCLSA-N -1 1 356.419 2.237 20 30 FEEDMM N#CC1(CS(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCC1 ZINC000682833817 672791565 /nfs/dbraw/zinc/79/15/65/672791565.db2.gz QUMALHIKGLUACF-UHFFFAOYSA-N -1 1 362.451 2.311 20 30 FEEDMM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593557112 672942282 /nfs/dbraw/zinc/94/22/82/672942282.db2.gz PAXYRXAFMWHNDH-IAQYHMDHSA-N -1 1 364.448 2.448 20 30 FEEDMM N#Cc1ccc(SCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000728607211 673205614 /nfs/dbraw/zinc/20/56/14/673205614.db2.gz LEHKLYXLYNUVSE-INIZCTEOSA-N -1 1 350.407 2.069 20 30 FEEDMM O=C(NCc1nn[n-]n1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000613538188 676133149 /nfs/dbraw/zinc/13/31/49/676133149.db2.gz KWLFBHDBCISOSY-UHFFFAOYSA-N -1 1 371.216 2.419 20 30 FEEDMM N#Cc1cc([O-])cc(C(=O)N(CCn2ccnc2)C2CCSCC2)c1 ZINC000597641008 673495376 /nfs/dbraw/zinc/49/53/76/673495376.db2.gz OCYUVEWKEONDEA-UHFFFAOYSA-N -1 1 356.451 2.498 20 30 FEEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1c(Cl)nc2ccccn21 ZINC000737429035 673563538 /nfs/dbraw/zinc/56/35/38/673563538.db2.gz MEFKONZHTDYPHG-UHFFFAOYSA-N -1 1 373.825 2.450 20 30 FEEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc([N+](=O)[O-])ccc1C ZINC000739411875 673631546 /nfs/dbraw/zinc/63/15/46/673631546.db2.gz QHZAZAAAENOAAC-UHFFFAOYSA-N -1 1 358.379 2.366 20 30 FEEDMM COc1ccc(COC(=O)c2sccc2[N-]S(C)(=O)=O)cc1C#N ZINC000747028469 673902279 /nfs/dbraw/zinc/90/22/79/673902279.db2.gz AWHRQWNNPDKMTJ-UHFFFAOYSA-N -1 1 366.420 2.357 20 30 FEEDMM CC(C)C[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)CC(=O)[O-] ZINC000548553017 673970433 /nfs/dbraw/zinc/97/04/33/673970433.db2.gz KTJJLXQVNKYMSA-NSHDSACASA-N -1 1 360.382 2.252 20 30 FEEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cccc1-n1cnnn1 ZINC000603971671 675802583 /nfs/dbraw/zinc/80/25/83/675802583.db2.gz ZUYXDTMKDKOQHX-UHFFFAOYSA-N -1 1 374.813 2.297 20 30 FEEDMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000604447809 675804884 /nfs/dbraw/zinc/80/48/84/675804884.db2.gz WEYCUTUSWDSTFB-GFCCVEGCSA-N -1 1 359.407 2.332 20 30 FEEDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000619468059 676378240 /nfs/dbraw/zinc/37/82/40/676378240.db2.gz UTTKZHTVZRFGKE-UHFFFAOYSA-N -1 1 351.315 2.415 20 30 FEEDMM COCC#CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000762766341 680761014 /nfs/dbraw/zinc/76/10/14/680761014.db2.gz FPJFIOFJYVXYNA-UHFFFAOYSA-N -1 1 359.403 2.294 20 30 FEEDMM Cc1nc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c(Br)n1C ZINC000840945650 680855749 /nfs/dbraw/zinc/85/57/49/680855749.db2.gz SPMLVHRISSAKNW-LBPRGKRZSA-N -1 1 363.281 2.098 20 30 FEEDMM C#CCCCS(=O)(=O)[N-]c1cc(C)c(I)cn1 ZINC000840948163 680855876 /nfs/dbraw/zinc/85/58/76/680855876.db2.gz ACALUOCZDJODID-UHFFFAOYSA-N -1 1 364.208 2.150 20 30 FEEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832347768 680125733 /nfs/dbraw/zinc/12/57/33/680125733.db2.gz BUXXUQMGOHDBOQ-PWSUYJOCSA-N -1 1 364.782 2.399 20 30 FEEDMM C#CCOc1ccccc1[C@H](C)OC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000756549955 680484655 /nfs/dbraw/zinc/48/46/55/680484655.db2.gz WMYZQXVBAAOUOZ-LBPRGKRZSA-N -1 1 363.391 2.118 20 30 FEEDMM COCC[S@@](=O)Cc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000776655757 681422743 /nfs/dbraw/zinc/42/27/43/681422743.db2.gz DMDMUHNMKBIZPV-RUZDIDTESA-N -1 1 358.419 2.411 20 30 FEEDMM C#Cc1ccccc1CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848339497 681523300 /nfs/dbraw/zinc/52/33/00/681523300.db2.gz FIXJCGLEJCLOSL-IUODEOHRSA-N -1 1 352.356 2.268 20 30 FEEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000779847878 681760027 /nfs/dbraw/zinc/76/00/27/681760027.db2.gz HECDUOVHSRLWFB-JTQLQIEISA-N -1 1 363.351 2.392 20 30 FEEDMM Cn1nc(Br)cc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000782348437 682031661 /nfs/dbraw/zinc/03/16/61/682031661.db2.gz RECRPJOZWIYBPR-HWKANZROSA-N -1 1 351.156 2.483 20 30 FEEDMM CC(=O)Nc1cccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000914599804 685508753 /nfs/dbraw/zinc/50/87/53/685508753.db2.gz KPRFLICLXZTJHB-UHFFFAOYSA-N -1 1 356.407 2.108 20 30 FEEDMM Cc1cc(=O)[n-]c(NN=Cc2cc3c(cc2Br)OCO3)n1 ZINC000916241663 685522859 /nfs/dbraw/zinc/52/28/59/685522859.db2.gz OGKVJIJIPIBBTG-UHFFFAOYSA-N -1 1 351.160 2.428 20 30 FEEDMM COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000918057198 685536826 /nfs/dbraw/zinc/53/68/26/685536826.db2.gz YSZBNSAHOVNNKA-OAHLLOKOSA-N -1 1 356.419 2.048 20 30 FEEDMM C#CCOCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852672056 682317412 /nfs/dbraw/zinc/31/74/12/682317412.db2.gz LHTHGCFSLBPGQN-HZPDHXFCSA-N -1 1 354.372 2.173 20 30 FEEDMM N#CC1(CS(=O)(=O)[N-]C[C@](O)(c2ccccc2)C(F)(F)F)CCC1 ZINC000790027305 682648833 /nfs/dbraw/zinc/64/88/33/682648833.db2.gz VHOGSGQQZMPUKE-AWEZNQCLSA-N -1 1 362.373 2.050 20 30 FEEDMM C[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856420093 682780175 /nfs/dbraw/zinc/78/01/75/682780175.db2.gz XMBJYBDFZNUUIQ-RISCZKNCSA-N -1 1 353.344 2.016 20 30 FEEDMM CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccccc1CC#N ZINC000794595800 682982505 /nfs/dbraw/zinc/98/25/05/682982505.db2.gz KCVFFCHAOSDSIK-UHFFFAOYSA-N -1 1 355.419 2.462 20 30 FEEDMM C#CC[C@@H](CCOC)NC(=O)NCc1cccc(Br)c1[O-] ZINC000859019123 683027844 /nfs/dbraw/zinc/02/78/44/683027844.db2.gz KJVHWNLEVRKNBN-LBPRGKRZSA-N -1 1 355.232 2.382 20 30 FEEDMM C=CCOC[C@H](NCc1cc(C)cc(Br)c1[O-])C(=O)OC ZINC000796016360 683118774 /nfs/dbraw/zinc/11/87/74/683118774.db2.gz WTFAQNCOTPAPHT-ZDUSSCGKSA-N -1 1 358.232 2.297 20 30 FEEDMM CC(Cc1cccc(C(F)(F)F)c1)N=Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000799111466 683423557 /nfs/dbraw/zinc/42/35/57/683423557.db2.gz DKHVMHYFZJZDRP-UHFFFAOYSA-N -1 1 350.304 2.481 20 30 FEEDMM C#CC[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000862572294 683602320 /nfs/dbraw/zinc/60/23/20/683602320.db2.gz DEYBZWFDUGJYMQ-JTQLQIEISA-N -1 1 355.175 2.482 20 30 FEEDMM N#Cc1cc(F)cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000867487659 684293393 /nfs/dbraw/zinc/29/33/93/684293393.db2.gz PKVCQLJBBZEHBR-YPMHNXCESA-N -1 1 366.336 2.476 20 30 FEEDMM C=CCC1([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CCOCC1 ZINC000867513060 684299027 /nfs/dbraw/zinc/29/90/27/684299027.db2.gz VSHLULWQQFDHRL-QFIPXVFZSA-N -1 1 358.485 2.103 20 30 FEEDMM C=CCN(Cc1cccs1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000869213168 684593996 /nfs/dbraw/zinc/59/39/96/684593996.db2.gz QJZWBMOLHGKBDB-UHFFFAOYSA-N -1 1 360.439 2.214 20 30 FEEDMM C=C(C)Cn1c(C2CC2)nnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871087330 684785755 /nfs/dbraw/zinc/78/57/55/684785755.db2.gz CBMJGNWRKJTVIX-HNNXBMFYSA-N -1 1 357.380 2.379 20 30 FEEDMM C=CCn1ncc2ccc([N-]S(=O)(=O)N=S3(=O)CCCC3)cc21 ZINC000901954723 690720237 /nfs/dbraw/zinc/72/02/37/690720237.db2.gz VMEBFVDXMSFXRR-UHFFFAOYSA-N -1 1 354.457 2.141 20 30 FEEDMM C#Cc1ccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c(Cl)c1 ZINC000901962920 690722232 /nfs/dbraw/zinc/72/22/32/690722232.db2.gz NYZPNIQCWLYCFD-GFCCVEGCSA-N -1 1 351.815 2.280 20 30 FEEDMM O=S1(=O)[N-]/C(=N/CCc2nc(-c3ccccc3)no2)c2ccccc21 ZINC000904239035 691015283 /nfs/dbraw/zinc/01/52/83/691015283.db2.gz IRENOZIQAPBNLZ-UHFFFAOYSA-N -1 1 354.391 2.018 20 30 FEEDMM C#C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)[C@H]1CCCO1 ZINC000907489423 691500416 /nfs/dbraw/zinc/50/04/16/691500416.db2.gz YLJGAUQZKNJHAT-GHMZBOCLSA-N -1 1 359.170 2.233 20 30 FEEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](O)c2cccc(Br)c2)c1 ZINC000800584403 674063902 /nfs/dbraw/zinc/06/39/02/674063902.db2.gz QBMYODICSNIFQR-HNNXBMFYSA-N -1 1 361.195 2.490 20 30 FEEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)c1 ZINC000055548660 540657927 /nfs/dbraw/zinc/65/79/27/540657927.db2.gz QPYXPPWIUFRTQU-UHFFFAOYSA-N -1 1 374.418 2.190 20 30 FEEDMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)n1 ZINC000077613711 542402819 /nfs/dbraw/zinc/40/28/19/542402819.db2.gz GLYQYMJAEHTLPK-BQBZGAKWSA-N -1 1 358.782 2.392 20 30 FEEDMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)[n-]1 ZINC000077613711 542402821 /nfs/dbraw/zinc/40/28/21/542402821.db2.gz GLYQYMJAEHTLPK-BQBZGAKWSA-N -1 1 358.782 2.392 20 30 FEEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000077704677 542409935 /nfs/dbraw/zinc/40/99/35/542409935.db2.gz XLORLPUACUJBCR-UHFFFAOYSA-N -1 1 355.419 2.469 20 30 FEEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(I)c1 ZINC000088474180 542752453 /nfs/dbraw/zinc/75/24/53/542752453.db2.gz XXPWWEHRCVOJIW-SNVBAGLBSA-N -1 1 350.181 2.335 20 30 FEEDMM CC(C)n1c(CCNC(=O)Cc2cccc(OCC#N)c2)n[n-]c1=S ZINC000089819095 542771324 /nfs/dbraw/zinc/77/13/24/542771324.db2.gz QCUPGOPKEPLKJV-UHFFFAOYSA-N -1 1 359.455 2.325 20 30 FEEDMM N#CCOc1cccc(CC(=O)NCCc2n[n-]c(=S)n2C2CC2)c1 ZINC000089823208 542771787 /nfs/dbraw/zinc/77/17/87/542771787.db2.gz OVTJKTOUEMBYSO-UHFFFAOYSA-N -1 1 357.439 2.079 20 30 FEEDMM N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111667610 543411102 /nfs/dbraw/zinc/41/11/02/543411102.db2.gz FEWHYCAMADXQLG-UHFFFAOYSA-N -1 1 364.810 2.471 20 30 FEEDMM C=C(C)COc1cccc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1 ZINC000129128434 544092300 /nfs/dbraw/zinc/09/23/00/544092300.db2.gz FQTWYSJZJKZGEG-UHFFFAOYSA-N -1 1 350.396 2.395 20 30 FEEDMM CC#CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000154458978 544909429 /nfs/dbraw/zinc/90/94/29/544909429.db2.gz VRFUFBBFQQXESX-UHFFFAOYSA-N -1 1 358.419 2.249 20 30 FEEDMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000154503860 544913980 /nfs/dbraw/zinc/91/39/80/544913980.db2.gz XCBDUPBITCAWNY-UHFFFAOYSA-N -1 1 354.395 2.032 20 30 FEEDMM CCc1cc(N2CCC[C@H](NC(=O)c3ccc(C#N)c([O-])c3)C2)ncn1 ZINC000188394817 328084574 /nfs/dbraw/zinc/08/45/74/328084574.db2.gz LNJUPBTZJQEMQK-INIZCTEOSA-N -1 1 351.410 2.015 20 30 FEEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1[O-] ZINC000188616719 328099095 /nfs/dbraw/zinc/09/90/95/328099095.db2.gz FQPYGEPVBZITAX-HNNXBMFYSA-N -1 1 355.781 2.453 20 30 FEEDMM N#Cc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1[O-] ZINC000190099548 328188229 /nfs/dbraw/zinc/18/82/29/328188229.db2.gz PKXQXWRHBHIKIS-UHFFFAOYSA-N -1 1 356.426 2.064 20 30 FEEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000125284406 326468786 /nfs/dbraw/zinc/46/87/86/326468786.db2.gz FIIFZGJXWNQMMJ-UHFFFAOYSA-N -1 1 372.450 2.493 20 30 FEEDMM N#Cc1ccc(Oc2cccc(C(=O)NCCCc3nc(=O)[n-][nH]3)c2)cc1 ZINC000174582370 327336388 /nfs/dbraw/zinc/33/63/88/327336388.db2.gz MOEKEWDZNYQAGP-UHFFFAOYSA-N -1 1 363.377 2.125 20 30 FEEDMM C#C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@H]1CCCO1 ZINC000805067449 674316666 /nfs/dbraw/zinc/31/66/66/674316666.db2.gz SMWXFEPPDWNGPI-WDEREUQCSA-N -1 1 367.320 2.183 20 30 FEEDMM CC(C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1nccs1 ZINC000157660020 545765997 /nfs/dbraw/zinc/76/59/97/545765997.db2.gz HBONDRBREBFCPP-UHFFFAOYSA-N -1 1 352.397 2.137 20 30 FEEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccc(C#N)cc1F ZINC000170937439 546183242 /nfs/dbraw/zinc/18/32/42/546183242.db2.gz YBVYGNPPTVGDBZ-UHFFFAOYSA-N -1 1 367.384 2.312 20 30 FEEDMM C[C@H](CN(C)C(=O)c1ccc(COc2ccccc2C#N)o1)c1nn[n-]n1 ZINC000183412517 547654184 /nfs/dbraw/zinc/65/41/84/547654184.db2.gz BPUDQGJEHJZRSE-GFCCVEGCSA-N -1 1 366.381 2.119 20 30 FEEDMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000484552622 561299796 /nfs/dbraw/zinc/29/97/96/561299796.db2.gz CBKOKNVHURRZFG-UHFFFAOYSA-N -1 1 350.787 2.452 20 30 FEEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 ZINC000192129473 548359852 /nfs/dbraw/zinc/35/98/52/548359852.db2.gz NLHSYRDWVWSXQM-CYBMUJFWSA-N -1 1 364.448 2.482 20 30 FEEDMM C=CCOCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000266533240 550020944 /nfs/dbraw/zinc/02/09/44/550020944.db2.gz FQLLDCNVTMPUEI-UHFFFAOYSA-N -1 1 370.471 2.344 20 30 FEEDMM C=CCN(CCC#N)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000292551037 552737486 /nfs/dbraw/zinc/73/74/86/552737486.db2.gz AHEFMJNOTJKUHU-UHFFFAOYSA-N -1 1 352.416 2.000 20 30 FEEDMM CCN(C[C@H](C)C#N)C(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000298766922 553470072 /nfs/dbraw/zinc/47/00/72/553470072.db2.gz FTDFSBMRXRJAHT-GFCCVEGCSA-N -1 1 364.471 2.164 20 30 FEEDMM COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000507630160 561735872 /nfs/dbraw/zinc/73/58/72/561735872.db2.gz NZGBMKNODXDSRJ-UHFFFAOYSA-N -1 1 373.434 2.044 20 30 FEEDMM N=c1nc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)s[n-]1 ZINC000330244502 554092232 /nfs/dbraw/zinc/09/22/32/554092232.db2.gz XGVOHDVTKBSOMT-MELADBBJSA-N -1 1 364.519 2.515 20 30 FEEDMM N#Cc1ccsc1C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368501810 556328054 /nfs/dbraw/zinc/32/80/54/556328054.db2.gz JPLGWHFFSOSQSG-NSHDSACASA-N -1 1 362.777 2.445 20 30 FEEDMM N#Cc1ccc(CNC(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000524035007 562223173 /nfs/dbraw/zinc/22/31/73/562223173.db2.gz LVKLLWMBFUJIBG-UHFFFAOYSA-N -1 1 368.340 2.481 20 30 FEEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000416956643 559340167 /nfs/dbraw/zinc/34/01/67/559340167.db2.gz NHUIVXHHIYKQDB-NSHDSACASA-N -1 1 366.834 2.237 20 30 FEEDMM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427209978 559750562 /nfs/dbraw/zinc/75/05/62/559750562.db2.gz AQXQDBWJNXVIIA-UHFFFAOYSA-N -1 1 368.411 2.043 20 30 FEEDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427294050 559752428 /nfs/dbraw/zinc/75/24/28/559752428.db2.gz GIPFLEFYEMLUEG-UHFFFAOYSA-N -1 1 352.318 2.424 20 30 FEEDMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2c1=O ZINC000427348023 559753883 /nfs/dbraw/zinc/75/38/83/559753883.db2.gz TXBPIMXGPQSDGH-UHFFFAOYSA-N -1 1 357.366 2.350 20 30 FEEDMM COC(=O)C1(CS(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)CCCCC1 ZINC000451094024 560286682 /nfs/dbraw/zinc/28/66/82/560286682.db2.gz PCCPRVHBUDNQRK-UHFFFAOYSA-N -1 1 371.846 2.472 20 30 FEEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000463533822 560818196 /nfs/dbraw/zinc/81/81/96/560818196.db2.gz SBBMNSABHFJRHL-UHFFFAOYSA-N -1 1 368.317 2.344 20 30 FEEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000532830552 562490132 /nfs/dbraw/zinc/49/01/32/562490132.db2.gz UDSJJMPMZCYNEB-CYBMUJFWSA-N -1 1 365.437 2.224 20 30 FEEDMM N#CCSCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737697666 598836169 /nfs/dbraw/zinc/83/61/69/598836169.db2.gz LDPZODUZSDYQHY-UHFFFAOYSA-N -1 1 370.463 2.468 20 30 FEEDMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000737297709 598931668 /nfs/dbraw/zinc/93/16/68/598931668.db2.gz YVOBVASVSBSQKY-UHFFFAOYSA-N -1 1 354.395 2.156 20 30 FEEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000737304868 598932199 /nfs/dbraw/zinc/93/21/99/598932199.db2.gz BIHHOQFXYLNSFO-UHFFFAOYSA-N -1 1 354.395 2.156 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)o1 ZINC000557821173 674468566 /nfs/dbraw/zinc/46/85/66/674468566.db2.gz RCKMFJAKLPVEQT-UHFFFAOYSA-N -1 1 355.213 2.435 20 30 FEEDMM CCOc1cccc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)n1 ZINC000737211229 600570401 /nfs/dbraw/zinc/57/04/01/600570401.db2.gz QFWXWBBHDYQNFX-IBGZPJMESA-N -1 1 366.421 2.300 20 30 FEEDMM CC(C)COC(=O)N1CCCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000826890801 601313462 /nfs/dbraw/zinc/31/34/62/601313462.db2.gz AWGGIGLCBRKERL-QGZVFWFLSA-N -1 1 359.426 2.484 20 30 FEEDMM C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])n[nH]c1=O ZINC000825711249 601863252 /nfs/dbraw/zinc/86/32/52/601863252.db2.gz WCFRPKFPAWXZNX-UHFFFAOYSA-N -1 1 368.440 2.277 20 30 FEEDMM N#Cc1ccc(CNC(=O)CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000740312040 601927105 /nfs/dbraw/zinc/92/71/05/601927105.db2.gz ABCJFRLPROFKGA-MSOLQXFVSA-N -1 1 370.453 2.171 20 30 FEEDMM N#Cc1cc(F)c(S(=O)(=O)NCc2cccc(C(=O)[O-])c2)c(F)c1 ZINC000612429342 601994129 /nfs/dbraw/zinc/99/41/29/601994129.db2.gz XMZJEXLHSRZVLG-UHFFFAOYSA-N -1 1 352.318 2.013 20 30 FEEDMM N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000760361541 602118989 /nfs/dbraw/zinc/11/89/89/602118989.db2.gz ZBKZBJIQGIHFCE-UHFFFAOYSA-N -1 1 368.317 2.366 20 30 FEEDMM N#Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826386145 607572184 /nfs/dbraw/zinc/57/21/84/607572184.db2.gz QXGOBHQLDTYTIT-UHFFFAOYSA-N -1 1 361.770 2.159 20 30 FEEDMM N#Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826386145 607572186 /nfs/dbraw/zinc/57/21/86/607572186.db2.gz QXGOBHQLDTYTIT-UHFFFAOYSA-N -1 1 361.770 2.159 20 30 FEEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000779846046 605597429 /nfs/dbraw/zinc/59/74/29/605597429.db2.gz TXXSILLSQUJKDK-GFCCVEGCSA-N -1 1 360.391 2.405 20 30 FEEDMM N#CCn1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc2ccccc21 ZINC000822815599 606294319 /nfs/dbraw/zinc/29/43/19/606294319.db2.gz UJQKKEBDBWHBDK-UHFFFAOYSA-N -1 1 359.349 2.303 20 30 FEEDMM Fc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822792507 606369216 /nfs/dbraw/zinc/36/92/16/606369216.db2.gz YZQNCFXBIALPCX-UHFFFAOYSA-N -1 1 372.414 2.497 20 30 FEEDMM O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1cc(C(F)(F)F)ccc1F ZINC000559503289 674545730 /nfs/dbraw/zinc/54/57/30/674545730.db2.gz PADNXCBTISYAFZ-SSDOTTSWSA-N -1 1 369.258 2.436 20 30 FEEDMM O=C(NC1CC1)c1cc(F)c(N=NCc2ccc(-c3nnn[n-]3)o2)c(F)c1 ZINC000823146028 606839836 /nfs/dbraw/zinc/83/98/36/606839836.db2.gz UBRSZGLVTWTQQK-UHFFFAOYSA-N -1 1 373.323 2.076 20 30 FEEDMM O=C(NC1CC1)c1cc(F)c(N=NCc2ccc(-c3nn[n-]n3)o2)c(F)c1 ZINC000823146028 606839838 /nfs/dbraw/zinc/83/98/38/606839838.db2.gz UBRSZGLVTWTQQK-UHFFFAOYSA-N -1 1 373.323 2.076 20 30 FEEDMM COc1ccc(C=CC(=O)c2cc(C(=O)[O-])ccc2O)cc1-c1nn[nH]n1 ZINC000821786721 606858574 /nfs/dbraw/zinc/85/85/74/606858574.db2.gz ILSWFXDDBVBTSE-DJWKRKHSSA-N -1 1 366.333 2.175 20 30 FEEDMM CC(C)c1nc(-c2nn[nH]n2)c(N=NC(C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000823962367 607965009 /nfs/dbraw/zinc/96/50/09/607965009.db2.gz JKPOEAPADMKSJN-UHFFFAOYSA-N -1 1 372.345 2.428 20 30 FEEDMM C=CCN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000823903725 609357470 /nfs/dbraw/zinc/35/74/70/609357470.db2.gz IRBKNOOANRNVDQ-UHFFFAOYSA-N -1 1 368.376 2.374 20 30 FEEDMM CSCC[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000561816431 674701530 /nfs/dbraw/zinc/70/15/30/674701530.db2.gz IZPRXAINFCBTGF-OAHLLOKOSA-N -1 1 373.500 2.122 20 30 FEEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)NN=Cc1cccc([O-])c1Cl ZINC000814864323 674884808 /nfs/dbraw/zinc/88/48/08/674884808.db2.gz ADWCSBNKMWCQPR-UHFFFAOYSA-N -1 1 355.759 2.266 20 30 FEEDMM CC(C)(C)OC(=O)NCCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000817148303 675105363 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Cc1ccc(C#N)cc1S(=O)(=O)Nc1cnc2c(c1)CN(C(=O)[O-])CC2 ZINC000833901212 605876461 /nfs/dbraw/zinc/87/64/61/605876461.db2.gz GFVPYFIIAVMIFK-UHFFFAOYSA-N -1 1 372.406 2.099 20 30 FEEDMM C=CCC(CC=C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000819734471 607004453 /nfs/dbraw/zinc/00/44/53/607004453.db2.gz OUMGBUPSSMXDBV-UHFFFAOYSA-N -1 1 359.386 2.327 20 30 FEEDMM Cc1nn(C)c2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)cc12 ZINC000826334101 608093907 /nfs/dbraw/zinc/09/39/07/608093907.db2.gz HYIIHJNKYWDSGD-ARJAWSKDSA-N -1 1 351.395 2.414 20 30 FEEDMM Cc1nn(C)c2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)cc12 ZINC000826334101 608093908 /nfs/dbraw/zinc/09/39/08/608093908.db2.gz HYIIHJNKYWDSGD-ARJAWSKDSA-N -1 1 351.395 2.414 20 30 FEEDMM C#CCCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823840741 609354373 /nfs/dbraw/zinc/35/43/73/609354373.db2.gz CZSJVAHEXVOSBL-UHFFFAOYSA-N -1 1 368.376 2.117 20 30 FEEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC(CC#N)CC1 ZINC000826341030 609423916 /nfs/dbraw/zinc/42/39/16/609423916.db2.gz UENYYAISMDWDNV-UHFFFAOYSA-N -1 1 365.397 2.325 20 30 FEEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC(CC#N)CC1 ZINC000826341030 609423917 /nfs/dbraw/zinc/42/39/17/609423917.db2.gz UENYYAISMDWDNV-UHFFFAOYSA-N -1 1 365.397 2.325 20 30 FEEDMM C#CCO[N-]C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000812783657 674697805 /nfs/dbraw/zinc/69/78/05/674697805.db2.gz ACJOGVQNFDOTKD-DZGCQCFKSA-N -1 1 354.328 2.296 20 30 FEEDMM C#CCO[N-]C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O ZINC000812786752 674697899 /nfs/dbraw/zinc/69/78/99/674697899.db2.gz QUHLRXQVLMWLIT-UHFFFAOYSA-N -1 1 355.575 2.239 20 30 FEEDMM COCC(Cc1ccccc1)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000814864997 674884800 /nfs/dbraw/zinc/88/48/00/674884800.db2.gz MPZXRYJTPABYRQ-UHFFFAOYSA-N -1 1 363.395 2.118 20 30 FEEDMM C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024562 674900730 /nfs/dbraw/zinc/90/07/30/674900730.db2.gz GZSBBKMLHSNHLL-UHFFFAOYSA-N -1 1 352.771 2.258 20 30 FEEDMM CCn1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)n1 ZINC000815909070 674983944 /nfs/dbraw/zinc/98/39/44/674983944.db2.gz QBOITTASWLNCDK-LLVKDONJSA-N -1 1 361.789 2.230 20 30 FEEDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cncc(C#N)c1 ZINC000564692642 675052255 /nfs/dbraw/zinc/05/22/55/675052255.db2.gz DNPXBTGYJBMANX-UHFFFAOYSA-N -1 1 351.771 2.414 20 30 FEEDMM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc2cn[nH]c21 ZINC000054493847 670337348 /nfs/dbraw/zinc/33/73/48/670337348.db2.gz ZLCKOBVYFNBHAW-UHFFFAOYSA-N -1 1 364.314 2.304 20 30 FEEDMM CC[C@H](Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1)C(=O)[O-] ZINC000571376600 670864387 /nfs/dbraw/zinc/86/43/87/670864387.db2.gz VWZVIHVOMWNNSS-CQSZACIVSA-N -1 1 359.407 2.407 20 30 FEEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cn2cncn2)cc1 ZINC000610123766 675955108 /nfs/dbraw/zinc/95/51/08/675955108.db2.gz ZDPWJEOSKGIPRE-UHFFFAOYSA-N -1 1 353.407 2.307 20 30 FEEDMM N#C[C@H](C(=O)[C@@H]1CCCOC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000171034013 672328444 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O=C(Cn1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)cn1)NC1CCCC1 ZINC000329446895 673077657 /nfs/dbraw/zinc/07/76/57/673077657.db2.gz CSARHGXXGNCNAT-OAHLLOKOSA-N -1 1 370.475 2.093 20 30 FEEDMM COC(=O)c1ccc([O-])c(C=Nn2cnc3sc(C)c(C)c3c2=O)c1 ZINC000726736614 673137072 /nfs/dbraw/zinc/13/70/72/673137072.db2.gz NPZZAOJGDBPHOD-UHFFFAOYSA-N -1 1 357.391 2.449 20 30 FEEDMM N#CC1CCC(C[N-]S(=O)(=O)c2ncccc2Br)CC1 ZINC000594781886 673140730 /nfs/dbraw/zinc/14/07/30/673140730.db2.gz YQJIXSINVKOIEW-UHFFFAOYSA-N -1 1 358.261 2.452 20 30 FEEDMM C[C@@H](C#N)Oc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000727684014 673177804 /nfs/dbraw/zinc/17/78/04/673177804.db2.gz SMJWPKNWMMAJHK-LBPRGKRZSA-N -1 1 354.391 2.050 20 30 FEEDMM C=C(Cl)COc1ccc(C(C)=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1 ZINC000731155126 673324350 /nfs/dbraw/zinc/32/43/50/673324350.db2.gz UIFIZKSATKRWKD-UHFFFAOYSA-N -1 1 358.789 2.399 20 30 FEEDMM C=CCCSCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000597971002 673525569 /nfs/dbraw/zinc/52/55/69/673525569.db2.gz 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C=CC[C@H](NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccncc1 ZINC000875299165 685778272 /nfs/dbraw/zinc/77/82/72/685778272.db2.gz HKFHLFXGETUFAL-ZDUSSCGKSA-N -1 1 356.348 2.019 20 30 FEEDMM C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CC1 ZINC000876445229 686204245 /nfs/dbraw/zinc/20/42/45/686204245.db2.gz ZIQDWXRYLDPGJS-JOCQHMNTSA-N -1 1 365.455 2.380 20 30 FEEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000882152089 687314284 /nfs/dbraw/zinc/31/42/84/687314284.db2.gz KAHJGOHOGDMBCX-LIEFOEBCSA-N -1 1 364.533 2.233 20 30 FEEDMM C=C(C)C[C@H](CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000882898279 687524972 /nfs/dbraw/zinc/52/49/72/687524972.db2.gz FPLUILCUGOVQCW-SNVBAGLBSA-N -1 1 361.179 2.054 20 30 FEEDMM COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)CCS2 ZINC000890603834 688944689 /nfs/dbraw/zinc/94/46/89/688944689.db2.gz BCAKYCVQUYREOA-FVRSWCFKSA-N -1 1 360.435 2.211 20 30 FEEDMM N#CC[C@H]([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)C(F)(F)F ZINC000901772540 690692808 /nfs/dbraw/zinc/69/28/08/690692808.db2.gz MPUGSPXOYUMQKU-ZDUSSCGKSA-N -1 1 358.345 2.054 20 30 FEEDMM Cn1cc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c(C2CCCC2)n1 ZINC000901949985 690719489 /nfs/dbraw/zinc/71/94/89/690719489.db2.gz YMANEAUXRYVDCT-LLVKDONJSA-N -1 1 350.366 2.201 20 30 FEEDMM N#Cc1ccnc(N2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)c1 ZINC000029444879 539853831 /nfs/dbraw/zinc/85/38/31/539853831.db2.gz RUQZZKHVWLTKKK-UHFFFAOYSA-N -1 1 362.389 2.087 20 30 FEEDMM Cc1nn(C)cc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000113651224 543495274 /nfs/dbraw/zinc/49/52/74/543495274.db2.gz YATNTYPRDNWNHI-NSHDSACASA-N -1 1 367.434 2.395 20 30 FEEDMM C[C@@](C#N)(NC(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1)C1CC1 ZINC000127759792 544012173 /nfs/dbraw/zinc/01/21/73/544012173.db2.gz KQJPDSKUCWIGOV-FQEVSTJZSA-N -1 1 355.438 2.095 20 30 FEEDMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000154504138 544914022 /nfs/dbraw/zinc/91/40/22/544914022.db2.gz WHAMXYWHJGSKSR-UHFFFAOYSA-N -1 1 368.422 2.341 20 30 FEEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000552408825 674207998 /nfs/dbraw/zinc/20/79/98/674207998.db2.gz BAIKKTHVSHYZRE-UHFFFAOYSA-N -1 1 351.334 2.460 20 30 FEEDMM N#Cc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)ccc1F ZINC000184896157 327887912 /nfs/dbraw/zinc/88/79/12/327887912.db2.gz CTTJDGXFZYEPLJ-UHFFFAOYSA-N -1 1 371.393 2.333 20 30 FEEDMM N#Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)cc1[O-] ZINC000188732745 328107373 /nfs/dbraw/zinc/10/73/73/328107373.db2.gz XIHXMKHWWGGNMZ-KRWDZBQOSA-N -1 1 350.374 2.378 20 30 FEEDMM N#Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1[O-] ZINC000189906540 328175245 /nfs/dbraw/zinc/17/52/45/328175245.db2.gz WGFMNRCIFFHDMJ-UHFFFAOYSA-N -1 1 363.417 2.432 20 30 FEEDMM Cc1cccc([C@H](CNC(=O)c2ccc(C#N)c([O-])c2)N2CCOCC2)c1 ZINC000190511471 328212781 /nfs/dbraw/zinc/21/27/81/328212781.db2.gz VIMSKJBKQNMKMZ-IBGZPJMESA-N -1 1 365.433 2.376 20 30 FEEDMM N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2)cc1[O-] ZINC000190760707 328230761 /nfs/dbraw/zinc/23/07/61/328230761.db2.gz UOUQLQBTTKIZFE-UHFFFAOYSA-N -1 1 374.194 2.395 20 30 FEEDMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000121109967 326313947 /nfs/dbraw/zinc/31/39/47/326313947.db2.gz KMNYRBNIPZUIOI-UHFFFAOYSA-N -1 1 364.448 2.461 20 30 FEEDMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)[C@H](C)CC ZINC000163965410 327062338 /nfs/dbraw/zinc/06/23/38/327062338.db2.gz OOMQQXXZXFTOJX-IAQYHMDHSA-N -1 1 356.419 2.095 20 30 FEEDMM CC(C)(C)OC(=O)N1CCCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000805000850 674311546 /nfs/dbraw/zinc/31/15/46/674311546.db2.gz APYZEBMIPMSTCU-GFCCVEGCSA-N -1 1 369.443 2.219 20 30 FEEDMM CC(C)C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)C(=O)Nc1nccs1 ZINC000477482877 561146012 /nfs/dbraw/zinc/14/60/12/561146012.db2.gz HRADIXUXMVLEEG-GFCCVEGCSA-N -1 1 370.500 2.110 20 30 FEEDMM Cc1nc(CN(C)[C@@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)no1 ZINC000478339497 561164655 /nfs/dbraw/zinc/16/46/55/561164655.db2.gz MBXWXAHKTCHSOE-MRXNPFEDSA-N -1 1 369.425 2.082 20 30 FEEDMM Cc1nc([C@@H]([N-]S(=O)(=O)CC2(C#N)CC2)c2ccc(Cl)cc2)no1 ZINC000166251362 546156472 /nfs/dbraw/zinc/15/64/72/546156472.db2.gz RIRCWLIBAXOIMW-ZDUSSCGKSA-N -1 1 366.830 2.344 20 30 FEEDMM CSc1nc(C)c(CCC(=O)NCc2ccc(C#N)cc2F)c(=O)[n-]1 ZINC000170932069 546183412 /nfs/dbraw/zinc/18/34/12/546183412.db2.gz NAAUWFZAOKVEAY-UHFFFAOYSA-N -1 1 360.414 2.060 20 30 FEEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1C(F)(F)F ZINC000480138629 561203619 /nfs/dbraw/zinc/20/36/19/561203619.db2.gz XIDUYZYNISKOPF-UHFFFAOYSA-N -1 1 369.324 2.477 20 30 FEEDMM C=CCOc1ccc(C=CC(=O)N[C@H](CCC)c2nn[n-]n2)cc1OC ZINC000176778345 546487157 /nfs/dbraw/zinc/48/71/57/546487157.db2.gz DKMZRXCLGIITDM-QSYFUGGGSA-N -1 1 357.414 2.444 20 30 FEEDMM CC(C)(C)CC[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-] ZINC000485057230 561311579 /nfs/dbraw/zinc/31/15/79/561311579.db2.gz QNRRWHILKTYESI-GFCCVEGCSA-N -1 1 360.382 2.394 20 30 FEEDMM C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000192128765 548358990 /nfs/dbraw/zinc/35/89/90/548358990.db2.gz ZCYTYUFYVHNHPC-CYBMUJFWSA-N -1 1 364.448 2.314 20 30 FEEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1[N+](=O)[O-] ZINC000194610137 548504836 /nfs/dbraw/zinc/50/48/36/548504836.db2.gz BYZQRFDHEPHJGG-UHFFFAOYSA-N -1 1 351.315 2.415 20 30 FEEDMM Cc1cc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)nn1CCC#N ZINC000271082244 550338660 /nfs/dbraw/zinc/33/86/60/550338660.db2.gz RUGSCVVAOQNBSK-UHFFFAOYSA-N -1 1 361.427 2.037 20 30 FEEDMM COC(=O)c1cc(S(=O)(=O)[N-]C2(C#N)CCCCC2)c(F)cc1F ZINC000274375592 550535184 /nfs/dbraw/zinc/53/51/84/550535184.db2.gz POFSLWZVQGCYNB-UHFFFAOYSA-N -1 1 358.366 2.256 20 30 FEEDMM C=CCN1CC[C@H](N(C)C(=O)c2cc(Br)ccc2[O-])C1=O ZINC000281539410 551110621 /nfs/dbraw/zinc/11/06/21/551110621.db2.gz YGFOAILVSRVZAZ-LBPRGKRZSA-N -1 1 353.216 2.014 20 30 FEEDMM CC(C)(C)OC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286866346 551934592 /nfs/dbraw/zinc/93/45/92/551934592.db2.gz LXXWGEMYUPSHDP-LBPRGKRZSA-N -1 1 369.443 2.077 20 30 FEEDMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000287659990 552031285 /nfs/dbraw/zinc/03/12/85/552031285.db2.gz CSXAVRCGRYZTQT-GDBMZVCRSA-N -1 1 359.451 2.483 20 30 FEEDMM C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000287659996 552031292 /nfs/dbraw/zinc/03/12/92/552031292.db2.gz CSXAVRCGRYZTQT-GOEBONIOSA-N -1 1 359.451 2.483 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000287855429 552055357 /nfs/dbraw/zinc/05/53/57/552055357.db2.gz PBQDGKFYXMOYKH-UKRRQHHQSA-N -1 1 354.334 2.238 20 30 FEEDMM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290015381 552414452 /nfs/dbraw/zinc/41/44/52/552414452.db2.gz XTIGMOICBBJOGH-ZETCQYMHSA-N -1 1 355.199 2.117 20 30 FEEDMM CC[C@H](CC#N)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290652912 552513181 /nfs/dbraw/zinc/51/31/81/552513181.db2.gz HZIOJJLEZLPRSB-SECBINFHSA-N -1 1 364.254 2.080 20 30 FEEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCc1cccc(C#N)c1 ZINC000291632958 552645825 /nfs/dbraw/zinc/64/58/25/552645825.db2.gz LPCKWMZRZGNOGB-BXUZGUMPSA-N -1 1 368.359 2.299 20 30 FEEDMM C=CCCCS(=O)(=O)[N-]c1ccc(I)cn1 ZINC000291833306 552666420 /nfs/dbraw/zinc/66/64/20/552666420.db2.gz GMRLVCPASGVQOZ-UHFFFAOYSA-N -1 1 352.197 2.394 20 30 FEEDMM CN(C(=O)N=c1[n-]n(C)cc1C#N)C1CCN(CCC(F)(F)F)CC1 ZINC000602882316 553659015 /nfs/dbraw/zinc/65/90/15/553659015.db2.gz UTNUTOZJDHYISQ-UHFFFAOYSA-N -1 1 358.368 2.172 20 30 FEEDMM Cc1cnc(C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)c([O-])c1 ZINC000330323496 554105119 /nfs/dbraw/zinc/10/51/19/554105119.db2.gz SXCZIJVMJBEQFW-GDBMZVCRSA-N -1 1 374.485 2.389 20 30 FEEDMM C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507901688 561745104 /nfs/dbraw/zinc/74/51/04/561745104.db2.gz KMHLJOUPKQIVRM-LBPRGKRZSA-N -1 1 359.382 2.368 20 30 FEEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332107941 554382080 /nfs/dbraw/zinc/38/20/80/554382080.db2.gz GGYKTILIPYSOSG-CYBMUJFWSA-N -1 1 356.382 2.210 20 30 FEEDMM CC[C@@]([N-]S(=O)(=O)c1ccc(C#N)cc1)(C(=O)OC)c1ccccc1 ZINC000510504642 561836710 /nfs/dbraw/zinc/83/67/10/561836710.db2.gz ZZCGHFVWQFKWOF-SFHVURJKSA-N -1 1 358.419 2.315 20 30 FEEDMM CCCCN(C)S(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2F)n1 ZINC000364678104 555372086 /nfs/dbraw/zinc/37/20/86/555372086.db2.gz UPMPGMVNFFNCIH-UHFFFAOYSA-N -1 1 351.407 2.272 20 30 FEEDMM N#C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000367710066 556120612 /nfs/dbraw/zinc/12/06/12/556120612.db2.gz XTOSKRRMCHVFIN-GIGQVBGESA-N -1 1 369.327 2.156 20 30 FEEDMM N#Cc1cncc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])c1 ZINC000515564630 562015532 /nfs/dbraw/zinc/01/55/32/562015532.db2.gz HBTNEOJDVLSQKU-UHFFFAOYSA-N -1 1 372.406 2.052 20 30 FEEDMM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000520465705 562157079 /nfs/dbraw/zinc/15/70/79/562157079.db2.gz IISLFXNBRJTTKU-GFCCVEGCSA-N -1 1 359.407 2.332 20 30 FEEDMM N#C[C@H]1CC[C@@H](NC(=O)c2cc(I)ccc2[O-])C1 ZINC000424969160 559681726 /nfs/dbraw/zinc/68/17/26/559681726.db2.gz ZPKKPVWJRHBMJE-WCBMZHEXSA-N -1 1 356.163 2.419 20 30 FEEDMM Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427109653 559748062 /nfs/dbraw/zinc/74/80/62/559748062.db2.gz IFZDUJPXZUQTAD-UHFFFAOYSA-N -1 1 357.370 2.294 20 30 FEEDMM C=CCN(CCC#N)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000433120360 559872400 /nfs/dbraw/zinc/87/24/00/559872400.db2.gz YOIACNVDXNMFQF-UHFFFAOYSA-N -1 1 352.416 2.000 20 30 FEEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2C)ccc1C#N ZINC000435730181 559929033 /nfs/dbraw/zinc/92/90/33/559929033.db2.gz GEIARLYNDDHAPY-UHFFFAOYSA-N -1 1 364.448 2.379 20 30 FEEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000437492989 559965245 /nfs/dbraw/zinc/96/52/45/559965245.db2.gz DOVFVOKHYJLSIU-SWLSCSKDSA-N -1 1 370.471 2.067 20 30 FEEDMM COc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(Cl)c1[O-] ZINC000443129526 560071884 /nfs/dbraw/zinc/07/18/84/560071884.db2.gz NKHPHBAVAUDKNM-UHFFFAOYSA-N -1 1 372.812 2.283 20 30 FEEDMM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000463460920 560815849 /nfs/dbraw/zinc/81/58/49/560815849.db2.gz HBXPVNHJQIJVNI-VIFPVBQESA-N -1 1 362.205 2.184 20 30 FEEDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1cccc(C)c1C ZINC000472734735 561034018 /nfs/dbraw/zinc/03/40/18/561034018.db2.gz DJTQGZQNIVCPSW-QGZVFWFLSA-N -1 1 373.434 2.153 20 30 FEEDMM COc1ccccc1[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])N1CCCCC1 ZINC000820876814 597636920 /nfs/dbraw/zinc/63/69/20/597636920.db2.gz ZPXFNTCFPJCGFH-JXFKEZNVSA-N -1 1 373.453 2.343 20 30 FEEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000819810932 597662929 /nfs/dbraw/zinc/66/29/29/597662929.db2.gz HVIXNUFKOUWNRZ-LIRRHRJNSA-N -1 1 367.409 2.182 20 30 FEEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000819810932 597662932 /nfs/dbraw/zinc/66/29/32/597662932.db2.gz HVIXNUFKOUWNRZ-LIRRHRJNSA-N -1 1 367.409 2.182 20 30 FEEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc3nccn32)o1 ZINC000819965340 607325404 /nfs/dbraw/zinc/32/54/04/607325404.db2.gz CBLIIJKTQURSDK-UHFFFAOYSA-N -1 1 351.374 2.246 20 30 FEEDMM N#CC(C(=O)c1cccc(C(=O)[O-])c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000821320779 598148697 /nfs/dbraw/zinc/14/86/97/598148697.db2.gz YHRLVVANXDOQCI-AWEZNQCLSA-N -1 1 374.360 2.386 20 30 FEEDMM Cc1cc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)no1 ZINC000557804041 674467559 /nfs/dbraw/zinc/46/75/59/674467559.db2.gz SFAKRWKGCQIRMB-UHFFFAOYSA-N -1 1 356.201 2.096 20 30 FEEDMM CCc1nn(CC#Cc2cccc(Cl)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821516919 607466515 /nfs/dbraw/zinc/46/65/15/607466515.db2.gz FESPGLIURMDBQU-UHFFFAOYSA-N -1 1 368.828 2.253 20 30 FEEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738611646 602531200 /nfs/dbraw/zinc/53/12/00/602531200.db2.gz DFISUZNGQBNDJQ-CVEARBPZSA-N -1 1 358.442 2.253 20 30 FEEDMM N#CCCN(C(=O)CN1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1)c1ccccc1 ZINC000833965537 605439350 /nfs/dbraw/zinc/43/93/50/605439350.db2.gz NDFQXQUDXGHCEB-SZMVWBNQSA-N -1 1 370.453 2.301 20 30 FEEDMM Cc1ccc2ncc(CN=Nc3oc(C(C)C)nc3-c3nn[n-]n3)n2c1 ZINC000826295365 607886862 /nfs/dbraw/zinc/88/68/62/607886862.db2.gz DQHKURMMOCOBDO-UHFFFAOYSA-N -1 1 351.374 2.380 20 30 FEEDMM C#CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823839036 607937701 /nfs/dbraw/zinc/93/77/01/607937701.db2.gz YVFZRLRBWLQMRL-HNNXBMFYSA-N -1 1 371.397 2.049 20 30 FEEDMM Cc1nn2c(C=NNc3oc(C(C)C)nc3-c3nn[n-]n3)c(C)nc2s1 ZINC000826335024 608229379 /nfs/dbraw/zinc/22/93/79/608229379.db2.gz UMCOWUXFUQGULJ-UHFFFAOYSA-N -1 1 372.418 2.145 20 30 FEEDMM Cc1cc(Cl)cc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)c1O ZINC000826267560 608389024 /nfs/dbraw/zinc/38/90/24/608389024.db2.gz KVLGCJWSMDOCMC-UHFFFAOYSA-N -1 1 358.789 2.195 20 30 FEEDMM C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccoc1C ZINC000823937444 608393055 /nfs/dbraw/zinc/39/30/55/608393055.db2.gz YCLQDRIZRHBUKP-UHFFFAOYSA-N -1 1 367.398 2.154 20 30 FEEDMM C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccoc1C ZINC000823937444 608393057 /nfs/dbraw/zinc/39/30/57/608393057.db2.gz YCLQDRIZRHBUKP-UHFFFAOYSA-N -1 1 367.398 2.154 20 30 FEEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cn(C)nc2C2CCCCC2)o1 ZINC000826322947 609467954 /nfs/dbraw/zinc/46/79/54/609467954.db2.gz IPVLYGNALZHEOF-UHFFFAOYSA-N -1 1 355.406 2.390 20 30 FEEDMM C#CCONC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000812781954 674697459 /nfs/dbraw/zinc/69/74/59/674697459.db2.gz KTLCZKQIKOITFH-UHFFFAOYSA-N -1 1 358.419 2.399 20 30 FEEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1 ZINC000108249989 670826724 /nfs/dbraw/zinc/82/67/24/670826724.db2.gz IIYDLNDAQXDNOR-UHFFFAOYSA-N -1 1 356.407 2.090 20 30 FEEDMM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1)C(=O)[O-] ZINC000571376599 670864560 /nfs/dbraw/zinc/86/45/60/670864560.db2.gz VWZVIHVOMWNNSS-AWEZNQCLSA-N -1 1 359.407 2.407 20 30 FEEDMM C[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC000576434760 671368390 /nfs/dbraw/zinc/36/83/90/671368390.db2.gz MQPYUAVJNGSYNL-NSHDSACASA-N -1 1 355.379 2.043 20 30 FEEDMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)c1ccsc1 ZINC000582418454 672000597 /nfs/dbraw/zinc/00/05/97/672000597.db2.gz YQDPRPKCPKLCOC-OAHLLOKOSA-N -1 1 364.448 2.148 20 30 FEEDMM C#CCOCCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000165287785 672316846 /nfs/dbraw/zinc/31/68/46/672316846.db2.gz YNBGPXNWGBUNJL-LBPRGKRZSA-N -1 1 355.419 2.080 20 30 FEEDMM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000167053755 672320076 /nfs/dbraw/zinc/32/00/76/672320076.db2.gz MGWAFMSJJOVEQB-UHFFFAOYSA-N -1 1 352.641 2.326 20 30 FEEDMM N#Cc1ccccc1Oc1ccc(C(=O)NCc2nn[n-]n2)cc1Cl ZINC000611185978 676023835 /nfs/dbraw/zinc/02/38/35/676023835.db2.gz SRANBWHTOINQCR-UHFFFAOYSA-N -1 1 354.757 2.447 20 30 FEEDMM N#Cc1ccc(C2([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])CCC2)cc1 ZINC000594481363 673085292 /nfs/dbraw/zinc/08/52/92/673085292.db2.gz KLXVTAWFUUAWLU-UHFFFAOYSA-N -1 1 358.379 2.219 20 30 FEEDMM Cc1ncc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1C#N ZINC000594489136 673092300 /nfs/dbraw/zinc/09/23/00/673092300.db2.gz MBXOMXSQODNITH-WCQYABFASA-N -1 1 363.361 2.040 20 30 FEEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1ccc(F)cc1C#N ZINC000728621817 673206241 /nfs/dbraw/zinc/20/62/41/673206241.db2.gz FUDYFSDSPQWSEV-UHFFFAOYSA-N -1 1 354.384 2.487 20 30 FEEDMM N#Cc1ccc(SCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000728677738 673208840 /nfs/dbraw/zinc/20/88/40/673208840.db2.gz VDMIDEGKSMWMEY-UHFFFAOYSA-N -1 1 354.387 2.150 20 30 FEEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Br)s1 ZINC000731154744 673324237 /nfs/dbraw/zinc/32/42/37/673324237.db2.gz AVVYNPXLTQRUIQ-UHFFFAOYSA-N -1 1 353.205 2.092 20 30 FEEDMM CCN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](C)C#N ZINC000598346240 673561850 /nfs/dbraw/zinc/56/18/50/673561850.db2.gz GOECSVZUXKUEST-VIFPVBQESA-N -1 1 364.254 2.032 20 30 FEEDMM COC(=O)[C@@H]([N-]S(=O)(=O)CCCC#N)c1ccc(Cl)cc1Cl ZINC000544104776 673690004 /nfs/dbraw/zinc/69/00/04/673690004.db2.gz JNOWBMGVQPMZSQ-LBPRGKRZSA-N -1 1 365.238 2.431 20 30 FEEDMM O=c1nc(NN=Cc2cc(Cl)ccc2Br)nc2[nH][n-]cc1-2 ZINC000743441115 673759863 /nfs/dbraw/zinc/75/98/63/673759863.db2.gz CKKFCUVVWRMWQN-UHFFFAOYSA-N -1 1 367.594 2.294 20 30 FEEDMM COC(=O)c1ccc([O-])c(C=NN2C(=S)N=NC2[C@H]2CCCCO2)c1 ZINC000743451523 673760146 /nfs/dbraw/zinc/76/01/46/673760146.db2.gz GZVTYZVDOJKQKY-CYBMUJFWSA-N -1 1 362.411 2.183 20 30 FEEDMM COc1ccc([O-])c(S(=O)(=O)N2CCc3c(CC#N)cccc3C2)c1 ZINC000601475814 673868718 /nfs/dbraw/zinc/86/87/18/673868718.db2.gz QTYQNTUKVPPMAN-UHFFFAOYSA-N -1 1 358.419 2.214 20 30 FEEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)NN=Cc2ccc([O-])c(Cl)c2)cc1 ZINC000746491440 673881209 /nfs/dbraw/zinc/88/12/09/673881209.db2.gz DNDWYFLTAUWABX-UHFFFAOYSA-N -1 1 369.786 2.407 20 30 FEEDMM C[C@@H]1CC[C@@](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)(CC(=O)[O-])C1 ZINC000547891247 673898658 /nfs/dbraw/zinc/89/86/58/673898658.db2.gz SNNMPDALBUOLKG-HWPZZCPQSA-N -1 1 372.393 2.396 20 30 FEEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccsc2)c(F)c1 ZINC000548199273 673932936 /nfs/dbraw/zinc/93/29/36/673932936.db2.gz OPEOEOYLAWGWQN-GFCCVEGCSA-N -1 1 372.374 2.392 20 30 FEEDMM C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000548268224 673945824 /nfs/dbraw/zinc/94/58/24/673945824.db2.gz IMDMVFNVJUDVLB-NXEZZACHSA-N -1 1 360.382 2.394 20 30 FEEDMM CC(=CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1cccc(Cl)c1 ZINC000819765329 675313828 /nfs/dbraw/zinc/31/38/28/675313828.db2.gz OROQBCJJMVNUKZ-VMPITWQZSA-N -1 1 354.761 2.157 20 30 FEEDMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2sccc2C#N)n[n-]1 ZINC000619254115 676369153 /nfs/dbraw/zinc/36/91/53/676369153.db2.gz IVEQGEXDFPGEPO-LLVKDONJSA-N -1 1 361.427 2.432 20 30 FEEDMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2sccc2C#N)[n-]1 ZINC000619254115 676369156 /nfs/dbraw/zinc/36/91/56/676369156.db2.gz IVEQGEXDFPGEPO-LLVKDONJSA-N -1 1 361.427 2.432 20 30 FEEDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2sccc2C#N)n1 ZINC000619254115 676369159 /nfs/dbraw/zinc/36/91/59/676369159.db2.gz IVEQGEXDFPGEPO-LLVKDONJSA-N -1 1 361.427 2.432 20 30 FEEDMM Cn1c2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc2ccc1=O ZINC000619463958 676378029 /nfs/dbraw/zinc/37/80/29/676378029.db2.gz LLYGJMCUTBGBFR-UHFFFAOYSA-N -1 1 353.403 2.405 20 30 FEEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](OCC)C2CC2)cc1 ZINC000629287394 676840431 /nfs/dbraw/zinc/84/04/31/676840431.db2.gz NEQFERYVXIVTQJ-MRXNPFEDSA-N -1 1 352.456 2.159 20 30 FEEDMM C#CCOc1cccc([C@@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000761167714 680713590 /nfs/dbraw/zinc/71/35/90/680713590.db2.gz RRLBMNBUXVSVAR-GFCCVEGCSA-N -1 1 363.391 2.118 20 30 FEEDMM CC1(C#N)CCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000834949015 680284357 /nfs/dbraw/zinc/28/43/57/680284357.db2.gz GGVLAEYASFHGNN-UHFFFAOYSA-N -1 1 350.400 2.474 20 30 FEEDMM O=c1nc(NN=Cc2ccc(Br)c(Cl)c2)nc2[nH][n-]cc1-2 ZINC000754943575 680389539 /nfs/dbraw/zinc/38/95/39/680389539.db2.gz FVJQPLTWQOJVAE-UHFFFAOYSA-N -1 1 367.594 2.294 20 30 FEEDMM Cc1ccc(S(=O)(=O)NN=Cc2cccc(F)c2[O-])cc1[N+](=O)[O-] ZINC000755470561 680416129 /nfs/dbraw/zinc/41/61/29/680416129.db2.gz BOSFFMDDKDJOTC-UHFFFAOYSA-N -1 1 353.331 2.060 20 30 FEEDMM Cn1c(C=NN=C2[N-]S(=O)(=O)c3ccccc32)nc2cc(Cl)ccc21 ZINC000755639527 680426265 /nfs/dbraw/zinc/42/62/65/680426265.db2.gz IGTRLTZFFQFHEE-UHFFFAOYSA-N -1 1 373.825 2.299 20 30 FEEDMM O=c1nc(NN=Cc2ccc(Sc3ccccn3)o2)nc2[nH][n-]cc1-2 ZINC000766450562 680877464 /nfs/dbraw/zinc/87/74/64/680877464.db2.gz MJUZSVAPOSYVNW-UHFFFAOYSA-N -1 1 353.367 2.017 20 30 FEEDMM COc1c([O-])c(C=NN2C(=S)N=NC2c2ccco2)ccc1[N+](=O)[O-] ZINC000773028740 681122207 /nfs/dbraw/zinc/12/22/07/681122207.db2.gz SPWSQLFTLBBZLA-UHFFFAOYSA-N -1 1 361.339 2.331 20 30 FEEDMM C=CCOCCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000780813385 681873634 /nfs/dbraw/zinc/87/36/34/681873634.db2.gz HOKBKOGPBCJWJS-UHFFFAOYSA-N -1 1 362.304 2.435 20 30 FEEDMM COc1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000914600386 685508751 /nfs/dbraw/zinc/50/87/51/685508751.db2.gz SMPPDGADXFIZKA-UHFFFAOYSA-N -1 1 359.407 2.167 20 30 FEEDMM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(C#N)CC2)c1F ZINC000915186614 685512933 /nfs/dbraw/zinc/51/29/33/685512933.db2.gz OLNHLJSVPJQZSN-UHFFFAOYSA-N -1 1 363.208 2.179 20 30 FEEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(NS(C)(=O)=O)c1 ZINC000785517021 682306033 /nfs/dbraw/zinc/30/60/33/682306033.db2.gz HCPNWDHWYLWHEE-NSHDSACASA-N -1 1 359.407 2.126 20 30 FEEDMM Cc1cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000788713218 682553359 /nfs/dbraw/zinc/55/33/59/682553359.db2.gz SQGLYCOZUQXZHS-UHFFFAOYSA-N -1 1 368.802 2.405 20 30 FEEDMM C=CCCO[N-]C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000856030073 682735916 /nfs/dbraw/zinc/73/59/16/682735916.db2.gz OFQWBRCRFCWNJF-NSHDSACASA-N -1 1 353.216 2.426 20 30 FEEDMM CC(CN1Cc2ccccc2C1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000792630696 682823850 /nfs/dbraw/zinc/82/38/50/682823850.db2.gz YIVJEJWRUQTBEF-UHFFFAOYSA-N -1 1 354.435 2.117 20 30 FEEDMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000794589980 682982082 /nfs/dbraw/zinc/98/20/82/682982082.db2.gz LZKHHPFDIAJLRV-UHFFFAOYSA-N -1 1 359.407 2.409 20 30 FEEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccoc1CC(N)=O ZINC000796794477 683196177 /nfs/dbraw/zinc/19/61/77/683196177.db2.gz UEGNHTPBDSPEGU-SNVBAGLBSA-N -1 1 363.732 2.061 20 30 FEEDMM O=S1(=O)[N-]C(=NN=Cc2cn3cc(Cl)ccc3n2)c2ccccc21 ZINC000920376292 683337487 /nfs/dbraw/zinc/33/74/87/683337487.db2.gz YDNCCTDUIZHTFD-UHFFFAOYSA-N -1 1 359.798 2.060 20 30 FEEDMM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc12)C(=O)OC ZINC000921384300 683448583 /nfs/dbraw/zinc/44/85/83/683448583.db2.gz MISWYQPGZKRCLN-CYBMUJFWSA-N -1 1 352.412 2.145 20 30 FEEDMM C#CC[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000862572295 683602309 /nfs/dbraw/zinc/60/23/09/683602309.db2.gz DEYBZWFDUGJYMQ-SNVBAGLBSA-N -1 1 355.175 2.482 20 30 FEEDMM C#CC[C@H]1CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000862570493 683602285 /nfs/dbraw/zinc/60/22/85/683602285.db2.gz ISAPYPPTKXQBNU-JTQLQIEISA-N -1 1 355.175 2.482 20 30 FEEDMM C=CCn1c(SCC(=O)CC[N-]C(=O)C(F)(F)F)nnc1C1CC1 ZINC000865345140 683970923 /nfs/dbraw/zinc/97/09/23/683970923.db2.gz NXMKPDYGUYVOPY-UHFFFAOYSA-N -1 1 362.377 2.071 20 30 FEEDMM CCS(=O)(CC)=NS(=O)(=O)[N-]C1(c2ccc(C#N)cc2)CCC1 ZINC000867487076 684293450 /nfs/dbraw/zinc/29/34/50/684293450.db2.gz ZNMXGXOGRFVMDC-UHFFFAOYSA-N -1 1 355.485 2.280 20 30 FEEDMM C=CCCn1cc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)nn1 ZINC000867595866 684325023 /nfs/dbraw/zinc/32/50/23/684325023.db2.gz HEROVQRGACISIX-UHFFFAOYSA-N -1 1 362.242 2.035 20 30 FEEDMM Cc1c(S(=O)(=O)[N-][C@@H](c2cccc(C#N)c2)C(F)(F)F)cnn1C ZINC000867899331 684422708 /nfs/dbraw/zinc/42/27/08/684422708.db2.gz XXKNIRNKOBLORU-ZDUSSCGKSA-N -1 1 358.345 2.182 20 30 FEEDMM N#Cc1ccc(CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1Cl ZINC000875565162 686039340 /nfs/dbraw/zinc/03/93/40/686039340.db2.gz DZEAUZJMNRQHCK-UHFFFAOYSA-N -1 1 374.750 2.032 20 30 FEEDMM C[S@@](=O)(=NS(=O)(=O)[N-]Cc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000882242665 687333543 /nfs/dbraw/zinc/33/35/43/687333543.db2.gz QSLCNULKCWNMSA-QHCPKHFHSA-N -1 1 373.475 2.462 20 30 FEEDMM CCn1cnc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000901144274 690618167 /nfs/dbraw/zinc/61/81/67/690618167.db2.gz QSJIUEOWNPYNGL-CQSZACIVSA-N -1 1 356.411 2.178 20 30 FEEDMM C=CCOC[C@@H](NCc1c(Br)cc(OC)cc1OC)C(=O)[O-] ZINC000901810301 690697242 /nfs/dbraw/zinc/69/72/42/690697242.db2.gz KVAQAHYZYMOCDB-CYBMUJFWSA-N -1 1 374.231 2.212 20 30 FEEDMM C=CCn1ncc2ccc([N-]S(=O)(=O)CC3(OC)CCOCC3)cc21 ZINC000901953867 690719787 /nfs/dbraw/zinc/71/97/87/690719787.db2.gz LYROMBWBUNHBFX-UHFFFAOYSA-N -1 1 365.455 2.160 20 30 FEEDMM C#CCN1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000909629406 691841490 /nfs/dbraw/zinc/84/14/90/691841490.db2.gz XDHOOPWWQFHZOE-BBWFWOEESA-N -1 1 360.841 2.064 20 30 FEEDMM CSc1[n-]c(=O)c(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1C#N ZINC000025332407 539755832 /nfs/dbraw/zinc/75/58/32/539755832.db2.gz ACTDCLNCZCSGPQ-ZDUSSCGKSA-N -1 1 362.480 2.475 20 30 FEEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000102862166 543083518 /nfs/dbraw/zinc/08/35/18/543083518.db2.gz GKHACWJLOLDHPZ-UHFFFAOYSA-N -1 1 359.382 2.414 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)o1 ZINC000553518907 674267375 /nfs/dbraw/zinc/26/73/75/674267375.db2.gz YCCGLZCZMUSTNX-LLVKDONJSA-N -1 1 361.206 2.470 20 30 FEEDMM N#Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1[O-] ZINC000189854598 328171733 /nfs/dbraw/zinc/17/17/33/328171733.db2.gz KTUOZGGGECIUIT-SFHVURJKSA-N -1 1 369.396 2.206 20 30 FEEDMM N#Cc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1[O-] ZINC000189928296 328176753 /nfs/dbraw/zinc/17/67/53/328176753.db2.gz XNDADBZESZKGDA-SFHVURJKSA-N -1 1 351.406 2.067 20 30 FEEDMM COc1cccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1OC ZINC000124307529 326451457 /nfs/dbraw/zinc/45/14/57/326451457.db2.gz IRBAHAQKFZHENF-UHFFFAOYSA-N -1 1 368.361 2.332 20 30 FEEDMM COC(=O)c1cccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000128777406 326529643 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CCOC(=O)c1csc(C(C#N)C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)n1 ZINC000829890439 604881246 /nfs/dbraw/zinc/88/12/46/604881246.db2.gz SICGYCUFWKKDDK-VIFPVBQESA-N -1 1 361.379 2.453 20 30 FEEDMM C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1 ZINC000833789194 605433365 /nfs/dbraw/zinc/43/33/65/605433365.db2.gz HFUGDSIWQOFGAC-UOJCXKCYSA-N -1 1 356.426 2.253 20 30 FEEDMM Cc1cc(C)n(N=C[C@H]2CCOc3ccccc32)c(=O)c1-c1nn[n-]n1 ZINC000822199155 606461710 /nfs/dbraw/zinc/46/17/10/606461710.db2.gz YLFOPDBKDCUDKW-CYBMUJFWSA-N -1 1 350.382 2.045 20 30 FEEDMM COc1ccc([O-])c(C(=O)C=Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000821838023 606857702 /nfs/dbraw/zinc/85/77/02/606857702.db2.gz JMKBRVKUVXBSII-ZZXKWVIFSA-N -1 1 352.350 2.486 20 30 FEEDMM CCn1nc(C)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1C ZINC000825807144 607887816 /nfs/dbraw/zinc/88/78/16/607887816.db2.gz NLZICQJPNGEMNR-UHFFFAOYSA-N -1 1 357.422 2.431 20 30 FEEDMM C#CC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000823838794 607937923 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N#CC1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCCC1 ZINC000270407570 550269962 /nfs/dbraw/zinc/26/99/62/550269962.db2.gz MROJLURJIAGZOG-UHFFFAOYSA-N -1 1 363.439 2.199 20 30 FEEDMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)no1 ZINC000289485931 552329204 /nfs/dbraw/zinc/32/92/04/552329204.db2.gz IQVFVJPDIVPRRA-SECBINFHSA-N -1 1 370.818 2.171 20 30 FEEDMM N#CCc1cccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000291097479 552586611 /nfs/dbraw/zinc/58/66/11/552586611.db2.gz LJMHSRURSMOQLV-CYBMUJFWSA-N -1 1 353.344 2.283 20 30 FEEDMM CCN(C[C@@H](C)C#N)C(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000298766929 553470179 /nfs/dbraw/zinc/47/01/79/553470179.db2.gz FTDFSBMRXRJAHT-LBPRGKRZSA-N -1 1 364.471 2.164 20 30 FEEDMM C=CCC[C@H](CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000320250905 553764753 /nfs/dbraw/zinc/76/47/53/553764753.db2.gz IDPCMOYNMJAIDO-SNVBAGLBSA-N -1 1 361.179 2.054 20 30 FEEDMM COc1ccc(NC(=O)N2CCOC(C)(C)[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000331172594 554225323 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CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(I)c([O-])c1 ZINC000427890450 559764747 /nfs/dbraw/zinc/76/47/47/559764747.db2.gz JIRWYTGHBCTUFC-ZDUSSCGKSA-N -1 1 356.163 2.419 20 30 FEEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc([C@@H]2CNC(=O)C2)c1 ZINC000435145320 559917223 /nfs/dbraw/zinc/91/72/23/559917223.db2.gz QEMMNZSEOAYLCP-HNNXBMFYSA-N -1 1 355.419 2.271 20 30 FEEDMM N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc([O-])cc3F)C2=O)cc1 ZINC000436628386 559947234 /nfs/dbraw/zinc/94/72/34/559947234.db2.gz PYTFSCMSZUQSAB-KRWDZBQOSA-N -1 1 353.353 2.328 20 30 FEEDMM Cc1cnc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c([O-])c1 ZINC000438607915 559981319 /nfs/dbraw/zinc/98/13/19/559981319.db2.gz VOBHJQGLHREPSZ-UHFFFAOYSA-N -1 1 352.394 2.482 20 30 FEEDMM N#Cc1ccc(C(=O)NCC(=O)Nc2cccc(Br)c2)cc1[O-] ZINC000443117119 560071356 /nfs/dbraw/zinc/07/13/56/560071356.db2.gz RGYIKKNUPVJZTJ-UHFFFAOYSA-N -1 1 374.194 2.395 20 30 FEEDMM N#Cc1ccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1[O-] ZINC000443291172 560078239 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C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532267149 562472178 /nfs/dbraw/zinc/47/21/78/562472178.db2.gz JWPXINWCAZXLAB-UHFFFAOYSA-N -1 1 350.371 2.248 20 30 FEEDMM CCc1nn(C)c(Cl)c1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736705172 599158061 /nfs/dbraw/zinc/15/80/61/599158061.db2.gz CWXBGDBDHFNCCG-UHFFFAOYSA-N -1 1 363.813 2.373 20 30 FEEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(C#N)cn1 ZINC000737548306 598663296 /nfs/dbraw/zinc/66/32/96/598663296.db2.gz NJOXQTLMMXSMDI-UHFFFAOYSA-N -1 1 360.337 2.078 20 30 FEEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(C#N)cn1 ZINC000737548306 598663298 /nfs/dbraw/zinc/66/32/98/598663298.db2.gz NJOXQTLMMXSMDI-UHFFFAOYSA-N -1 1 360.337 2.078 20 30 FEEDMM N#Cc1ccc(CNC(=O)CN2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000740312043 601927237 /nfs/dbraw/zinc/92/72/37/601927237.db2.gz ABCJFRLPROFKGA-ROUUACIJSA-N -1 1 370.453 2.171 20 30 FEEDMM C#CCN1CCC(C(=O)N(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)CC1 ZINC000825614676 602005620 /nfs/dbraw/zinc/00/56/20/602005620.db2.gz UMJQJBUUFFEUFW-MRXNPFEDSA-N -1 1 368.355 2.033 20 30 FEEDMM C[C@@H]1CN(C(=O)[O-])CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000739158294 602738916 /nfs/dbraw/zinc/73/89/16/602738916.db2.gz AGOLWMYXMAOJJN-LLVKDONJSA-N -1 1 350.806 2.224 20 30 FEEDMM C=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000823882576 607610972 /nfs/dbraw/zinc/61/09/72/607610972.db2.gz AAFJUTCWYSXQAJ-UHFFFAOYSA-N -1 1 373.360 2.226 20 30 FEEDMM N#Cc1cccc(S(=O)(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)c1 ZINC000831152725 603888656 /nfs/dbraw/zinc/88/86/56/603888656.db2.gz KUALTKGAYGOLOX-UHFFFAOYSA-N -1 1 361.335 2.178 20 30 FEEDMM CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000827460452 604220920 /nfs/dbraw/zinc/22/09/20/604220920.db2.gz SVWRZTRNSOYPAQ-LBPRGKRZSA-N -1 1 371.349 2.407 20 30 FEEDMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC#Cc1ccc(F)cc1 ZINC000826294238 607717760 /nfs/dbraw/zinc/71/77/60/607717760.db2.gz MLVDZEPLOBXALY-UHFFFAOYSA-N -1 1 360.352 2.076 20 30 FEEDMM N#CC1(NC(=O)CC2(NC(=O)[O-])CCC2)CCN(Cc2ccccc2)CC1 ZINC000833963221 605415734 /nfs/dbraw/zinc/41/57/34/605415734.db2.gz JGABGDHOXRBAEM-UHFFFAOYSA-N -1 1 370.453 2.241 20 30 FEEDMM COc1ccc2c(c1)C(N=Nc1oc(C)nc1-c1nn[n-]n1)CCCO2 ZINC000821849663 606836433 /nfs/dbraw/zinc/83/64/33/606836433.db2.gz ODUPWLUSVHMJME-UHFFFAOYSA-N -1 1 355.358 2.161 20 30 FEEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(OC(F)F)c(F)c2)o1 ZINC000826322916 607844034 /nfs/dbraw/zinc/84/40/34/607844034.db2.gz HKBCOPZOPSYMLX-UHFFFAOYSA-N -1 1 353.264 2.350 20 30 FEEDMM C#Cc1cccc(NC(=O)CN(C)c2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000823861980 608191774 /nfs/dbraw/zinc/19/17/74/608191774.db2.gz VZMWUZZZFKFPNO-UHFFFAOYSA-N -1 1 373.829 2.033 20 30 FEEDMM C#Cc1cccc(NC(=O)CN(C)c2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000823861980 608191776 /nfs/dbraw/zinc/19/17/76/608191776.db2.gz VZMWUZZZFKFPNO-UHFFFAOYSA-N -1 1 373.829 2.033 20 30 FEEDMM N#Cc1ccc(C2=CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000826384932 608485618 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C=CCn1c(CC(C)C)nnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871055254 684783094 /nfs/dbraw/zinc/78/30/94/684783094.db2.gz AXCYIEJCPOAPSD-OAHLLOKOSA-N -1 1 359.396 2.310 20 30 FEEDMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1F ZINC000872008668 684913736 /nfs/dbraw/zinc/91/37/36/684913736.db2.gz OEVRWJHBYUOGRU-UHFFFAOYSA-N -1 1 354.382 2.496 20 30 FEEDMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C#N)C2(SC)CC2)c(=O)[n-]1 ZINC000876450893 686205523 /nfs/dbraw/zinc/20/55/23/686205523.db2.gz XPGSSBFBTLTRBD-LBPRGKRZSA-N -1 1 366.512 2.391 20 30 FEEDMM CC1(C)OC[C@@H]([N-]S(=O)(=O)CC2(C#N)CC2)[C@@H](c2ccccc2)O1 ZINC000882539004 687388425 /nfs/dbraw/zinc/38/84/25/687388425.db2.gz MTLFVNPJMQUWRN-HUUCEWRRSA-N -1 1 350.440 2.102 20 30 FEEDMM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000882849733 687512867 /nfs/dbraw/zinc/51/28/67/687512867.db2.gz RGSYMZTZDFLTDY-SECBINFHSA-N -1 1 369.668 2.103 20 30 FEEDMM COc1cc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c(F)cc1C#N ZINC000901941899 690718151 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Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1C ZINC000365468244 555584088 /nfs/dbraw/zinc/58/40/88/555584088.db2.gz NMHMCQLMNDMRBU-UHFFFAOYSA-N -1 1 368.422 2.260 20 30 FEEDMM CC(C)(C)OC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000367771590 556135386 /nfs/dbraw/zinc/13/53/86/556135386.db2.gz AYMOTYIITZSZNZ-LBPRGKRZSA-N -1 1 369.443 2.219 20 30 FEEDMM N#Cc1ccc(N2CCC(N=c3[n-]c(C(F)(F)F)ns3)CC2)nc1 ZINC000376231832 558145148 /nfs/dbraw/zinc/14/51/48/558145148.db2.gz TWEHWOLOQUCMOH-UHFFFAOYSA-N -1 1 354.361 2.326 20 30 FEEDMM C=CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000410069551 558736857 /nfs/dbraw/zinc/73/68/57/558736857.db2.gz FNFHWUQXBSSHLM-KRWDZBQOSA-N -1 1 374.462 2.463 20 30 FEEDMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000410304362 558750529 /nfs/dbraw/zinc/75/05/29/558750529.db2.gz GMSHZNIKRPVUFD-UHFFFAOYSA-N -1 1 364.409 2.589 20 30 FEEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(=O)N2CCSCC2)c1C ZINC000416941437 559339415 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C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000443413290 560083334 /nfs/dbraw/zinc/08/33/34/560083334.db2.gz FSXAIAAOXQCVJX-UHFFFAOYSA-N -1 1 371.418 2.136 20 30 FEEDMM COC(=O)[C@](C)(CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000446702374 560150118 /nfs/dbraw/zinc/15/01/18/560150118.db2.gz SFYUKZHEAQTWAY-LJQANCHMSA-N -1 1 356.353 2.264 20 30 FEEDMM COC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451256001 560296350 /nfs/dbraw/zinc/29/63/50/560296350.db2.gz NXVBGULVHMQJNB-UHFFFAOYSA-N -1 1 365.224 2.163 20 30 FEEDMM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1n1cccn1 ZINC000456622073 560526130 /nfs/dbraw/zinc/52/61/30/560526130.db2.gz BGUACQYCYHNLBF-USXIJHARSA-N -1 1 354.410 2.387 20 30 FEEDMM CN(C)c1ccccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000469158597 560948617 /nfs/dbraw/zinc/94/86/17/560948617.db2.gz UXRSNTVYHDMVSR-UHFFFAOYSA-N -1 1 351.378 2.381 20 30 FEEDMM C=C(C)[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)c(F)c1 ZINC000475661566 561101607 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2.078 20 30 FEEDMM C=CCc1ccc(OCC(=O)Nc2ncc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000819758869 607024713 /nfs/dbraw/zinc/02/47/13/607024713.db2.gz IQAGBOLGPLPVBI-UHFFFAOYSA-N -1 1 372.410 2.078 20 30 FEEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1cc(O)cc(O)c1 ZINC000823961826 607807586 /nfs/dbraw/zinc/80/75/86/607807586.db2.gz ADIXPHFXKDLHCD-UHFFFAOYSA-N -1 1 357.374 2.400 20 30 FEEDMM Cc1nn(C(C)(C)C)c(C)c1C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC000826265417 607885421 /nfs/dbraw/zinc/88/54/21/607885421.db2.gz YFBHVNCTYMSWIT-UHFFFAOYSA-N -1 1 368.445 2.096 20 30 FEEDMM C=CCC[C@H](C)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000823894147 608275360 /nfs/dbraw/zinc/27/53/60/608275360.db2.gz ISRPUKMJNWJMSG-NSHDSACASA-N -1 1 369.429 2.357 20 30 FEEDMM C=CCC[C@H](C)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000823894147 608275362 /nfs/dbraw/zinc/27/53/62/608275362.db2.gz ISRPUKMJNWJMSG-NSHDSACASA-N -1 1 369.429 2.357 20 30 FEEDMM C[C@H](CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)Cc1ccc(Cl)cc1 ZINC000824384949 608278696 /nfs/dbraw/zinc/27/86/96/608278696.db2.gz IKCDOMLHAWUCKQ-VIFPVBQESA-N -1 1 370.804 2.322 20 30 FEEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2NC(=O)OC(C)(C)C)o1 ZINC000826323239 608290593 /nfs/dbraw/zinc/29/05/93/608290593.db2.gz WGSOEFBOMMDSKW-SECBINFHSA-N -1 1 362.394 2.008 20 30 FEEDMM O=c1cn[n-]c(=S)n1N=Cc1c(Cl)nc(Cl)n1-c1ccccc1 ZINC000814915862 674888062 /nfs/dbraw/zinc/88/80/62/674888062.db2.gz KLGSLQNOAQCIHQ-UHFFFAOYSA-N -1 1 367.221 2.302 20 30 FEEDMM CC(=NNC[C@H](C)O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000814961554 674890393 /nfs/dbraw/zinc/89/03/93/674890393.db2.gz MJNHXADIQOOJHH-AWEZNQCLSA-N -1 1 361.467 2.490 20 30 FEEDMM Cc1cc(C(=O)[N-]n2c(C)c(Br)c(C)c(C#N)c2=O)co1 ZINC000816410168 675053930 /nfs/dbraw/zinc/05/39/30/675053930.db2.gz PLURUMHMCGUAOI-UHFFFAOYSA-N -1 1 350.172 2.385 20 30 FEEDMM N#C[C@H](C(=O)C1CCOCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000079640364 670608205 /nfs/dbraw/zinc/60/82/05/670608205.db2.gz OIHLSHFZYJKJNW-GFCCVEGCSA-N -1 1 357.435 2.466 20 30 FEEDMM N#C[C@@H](C(=O)C1CCOCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000079640356 670608323 /nfs/dbraw/zinc/60/83/23/670608323.db2.gz OIHLSHFZYJKJNW-LBPRGKRZSA-N -1 1 357.435 2.466 20 30 FEEDMM CN1CCC(C#N)(NC(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC000578308260 671655768 /nfs/dbraw/zinc/65/57/68/671655768.db2.gz OBDAGVGSKAJABN-UHFFFAOYSA-N -1 1 356.195 2.012 20 30 FEEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)c1C#N ZINC000585733199 672228186 /nfs/dbraw/zinc/22/81/86/672228186.db2.gz HUDAKHVDZQGNRO-UHFFFAOYSA-N -1 1 359.382 2.093 20 30 FEEDMM COc1cccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1O ZINC000161116782 672295786 /nfs/dbraw/zinc/29/57/86/672295786.db2.gz UJHHIQHBKYDBJY-UHFFFAOYSA-N -1 1 354.334 2.029 20 30 FEEDMM N#Cc1cc([O-])cc(C(=O)NCCOc2cccc(C(F)(F)F)n2)c1 ZINC000589196280 672513124 /nfs/dbraw/zinc/51/31/24/672513124.db2.gz NGUCGWBBEQRIQD-UHFFFAOYSA-N -1 1 351.284 2.486 20 30 FEEDMM C#C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000185323304 672525658 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N#Cc1cc([O-])cc(C(=O)NCc2ccnc(N3CCSCC3)c2)c1 ZINC000601856379 673899071 /nfs/dbraw/zinc/89/90/71/673899071.db2.gz VHYGCORIBRPSLI-UHFFFAOYSA-N -1 1 354.435 2.142 20 30 FEEDMM O=C([N-]CC[S@](=O)CC(F)(F)F)C(F)(F)c1cc(F)cc(F)c1 ZINC000824386740 675599445 /nfs/dbraw/zinc/59/94/45/675599445.db2.gz RREXOGYCXOHDKW-QHCPKHFHSA-N -1 1 365.270 2.484 20 30 FEEDMM CC(C)O[C@@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000764907771 680824075 /nfs/dbraw/zinc/82/40/75/680824075.db2.gz BELWMWAHNHUHQZ-CQSZACIVSA-N -1 1 355.416 2.453 20 30 FEEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)ccc1F ZINC000747605990 679892227 /nfs/dbraw/zinc/89/22/27/679892227.db2.gz MVZDYRNFRVSCTH-UHFFFAOYSA-N -1 1 364.354 2.315 20 30 FEEDMM C[C@@H](CN=Nc1nc2[nH][n-]cc-2c(=O)n1)c1cccc(Br)c1 ZINC000747631187 679893366 /nfs/dbraw/zinc/89/33/66/679893366.db2.gz DCJBFNCUYAYSIG-QMMMGPOBSA-N -1 1 361.203 2.396 20 30 FEEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc(Cl)nc2)cc1 ZINC000748785719 679995649 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C=C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br ZINC000770261726 681010922 /nfs/dbraw/zinc/01/09/22/681010922.db2.gz DVYIOHFQJFBIJM-ZETCQYMHSA-N -1 1 366.208 2.228 20 30 FEEDMM Cc1nnc(COCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)s1 ZINC000845844871 681156286 /nfs/dbraw/zinc/15/62/86/681156286.db2.gz UZUZRNQBKQEYMW-AWEZNQCLSA-N -1 1 355.419 2.373 20 30 FEEDMM O=S1(=O)[N-]C(=NN=CCCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000774363143 681181304 /nfs/dbraw/zinc/18/13/04/681181304.db2.gz NKUMCWHEMKAACV-UHFFFAOYSA-N -1 1 355.419 2.279 20 30 FEEDMM C#CCOc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000775945849 681351434 /nfs/dbraw/zinc/35/14/34/681351434.db2.gz BAUMGAATWJJYTH-UHFFFAOYSA-N -1 1 360.391 2.028 20 30 FEEDMM CCc1nc(SCCS(=O)(=O)c2cccc(C#N)c2)[n-]c(=O)c1C ZINC000849921274 681823855 /nfs/dbraw/zinc/82/38/55/681823855.db2.gz JOTZYPGHOLJYOB-UHFFFAOYSA-N -1 1 363.464 2.491 20 30 FEEDMM COCCC1N=NC(=S)N1N=Cc1cc(C)cc(Br)c1[O-] ZINC000781592150 681950732 /nfs/dbraw/zinc/95/07/32/681950732.db2.gz BVKFQIABDFITAM-UHFFFAOYSA-N -1 1 371.260 2.414 20 30 FEEDMM COc1ccc(Br)c(S(=O)(=O)[N-]CC(C)(C)C#N)c1F ZINC000914352685 685505181 /nfs/dbraw/zinc/50/51/81/685505181.db2.gz YABDWFXLNQTLJD-UHFFFAOYSA-N -1 1 365.224 2.425 20 30 FEEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc2cnccc2c1 ZINC000782241840 682020319 /nfs/dbraw/zinc/02/03/19/682020319.db2.gz CCOSQZNBTAJCMT-UHFFFAOYSA-N -1 1 356.363 2.455 20 30 FEEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(N3CCCCC3)o2)c2ccccc21 ZINC000914599817 685508755 /nfs/dbraw/zinc/50/87/55/685508755.db2.gz KXJQGNFYLQJCPT-UHFFFAOYSA-N -1 1 358.423 2.343 20 30 FEEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1N1CCNC1=O ZINC000782517891 682053123 /nfs/dbraw/zinc/05/31/23/682053123.db2.gz HGMQJKUAFBVFPZ-UHFFFAOYSA-N -1 1 356.407 2.197 20 30 FEEDMM C[C@@H]1CCN(CCOc2cccc(C#N)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757878 682336414 /nfs/dbraw/zinc/33/64/14/682336414.db2.gz OZGFELXRYDJKRK-DOMZBBRYSA-N -1 1 355.360 2.326 20 30 FEEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cnn(C(C)(C)C)c1C ZINC000787151547 682437737 /nfs/dbraw/zinc/43/77/37/682437737.db2.gz GPTWOZCGJBBQFB-UHFFFAOYSA-N -1 1 359.455 2.409 20 30 FEEDMM Cc1ccc(S(=O)(=O)NN=Cc2c(F)ccc([O-])c2F)cc1[N+](=O)[O-] ZINC000794452771 682970124 /nfs/dbraw/zinc/97/01/24/682970124.db2.gz BZDAVHSAWIQTHQ-UHFFFAOYSA-N -1 1 371.321 2.199 20 30 FEEDMM C=CCSCC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858922743 683015451 /nfs/dbraw/zinc/01/54/51/683015451.db2.gz LDHRNGRSXGLTRY-UHFFFAOYSA-N -1 1 355.254 2.181 20 30 FEEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000797819237 683275816 /nfs/dbraw/zinc/27/58/16/683275816.db2.gz BBQXMLHFBOXLHG-UHFFFAOYSA-N -1 1 362.407 2.117 20 30 FEEDMM COc1cc2c(cc1F)CCC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000799108729 683422680 /nfs/dbraw/zinc/42/26/80/683422680.db2.gz IFTVNGBVYXDWGR-UHFFFAOYSA-N -1 1 359.382 2.223 20 30 FEEDMM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)c1C(F)(F)F ZINC000867202857 684225019 /nfs/dbraw/zinc/22/50/19/684225019.db2.gz NKDLYIMGNDQRNX-GFCCVEGCSA-N -1 1 370.356 2.276 20 30 FEEDMM Cc1cc(S(=O)(=O)[N-]C2CCN(c3ccccc3C#N)CC2)sn1 ZINC000867611701 684330530 /nfs/dbraw/zinc/33/05/30/684330530.db2.gz NEFKZGNXBJWXLO-UHFFFAOYSA-N -1 1 362.480 2.271 20 30 FEEDMM C[S@](=O)(=NS(=O)(=O)[N-]Cc1cccc(C#N)c1)C1CCCCC1 ZINC000881811355 687223409 /nfs/dbraw/zinc/22/34/09/687223409.db2.gz XOKXOKBEZUQHSF-JOCHJYFZSA-N -1 1 355.485 2.323 20 30 FEEDMM C=C(C)CNc1nc(-c2cn(CC[N-]C(=O)C(F)(F)F)nn2)c(C)s1 ZINC000887466960 688431074 /nfs/dbraw/zinc/43/10/74/688431074.db2.gz FTBMWEQEZFVCHC-UHFFFAOYSA-N -1 1 374.392 2.377 20 30 FEEDMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c1 ZINC000901772437 690693050 /nfs/dbraw/zinc/69/30/50/690693050.db2.gz SJUNLKWNGUCZHH-NSHDSACASA-N -1 1 368.308 2.044 20 30 FEEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C#N)C(C)C)c1F ZINC000903114845 690845851 /nfs/dbraw/zinc/84/58/51/690845851.db2.gz HZOCPSFLDGQPJC-VIFPVBQESA-N -1 1 365.224 2.423 20 30 FEEDMM C=C(Cl)C[C@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000909095488 691777767 /nfs/dbraw/zinc/77/77/67/691777767.db2.gz MOPQFUSXOQPMDT-AWEZNQCLSA-N -1 1 357.813 2.153 20 30 FEEDMM C=C(C)COCCNC(=O)c1ccc(I)c([O-])c1 ZINC000230902310 548763221 /nfs/dbraw/zinc/76/32/21/548763221.db2.gz GCLJGZXGYDSTRU-UHFFFAOYSA-N -1 1 361.179 2.319 20 30 FEEDMM CCOC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000032095563 539929204 /nfs/dbraw/zinc/92/92/04/539929204.db2.gz NPKMLBQKKVHXIU-UHFFFAOYSA-N -1 1 360.391 2.301 20 30 FEEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1 ZINC000055556173 540658387 /nfs/dbraw/zinc/65/83/87/540658387.db2.gz VVVJQDMPYPNAPN-UHFFFAOYSA-N -1 1 356.407 2.280 20 30 FEEDMM COc1ccc(NC(=O)C2(C#N)CCCCC2)cc1[N-]S(C)(=O)=O ZINC000057431237 540795911 /nfs/dbraw/zinc/79/59/11/540795911.db2.gz RHKLIENJEYECKI-UHFFFAOYSA-N -1 1 351.428 2.479 20 30 FEEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000063878567 541190561 /nfs/dbraw/zinc/19/05/61/541190561.db2.gz JWYFBNHXBRPTBD-UHFFFAOYSA-N -1 1 350.421 2.071 20 30 FEEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000116159228 543601477 /nfs/dbraw/zinc/60/14/77/543601477.db2.gz IETAPJIKKQMELR-UHFFFAOYSA-N -1 1 358.419 2.338 20 30 FEEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1S(C)(=O)=O ZINC000134622633 544315700 /nfs/dbraw/zinc/31/57/00/544315700.db2.gz FMVNDQGPPQZWHA-UHFFFAOYSA-N -1 1 364.448 2.379 20 30 FEEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1ccsc1 ZINC000184253255 327858401 /nfs/dbraw/zinc/85/84/01/327858401.db2.gz QXWKZZKCHDWIDQ-AWEZNQCLSA-N -1 1 350.421 2.121 20 30 FEEDMM Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000187827100 328048701 /nfs/dbraw/zinc/04/87/01/328048701.db2.gz DGAFHMUMCPWABY-UHFFFAOYSA-N -1 1 363.417 2.099 20 30 FEEDMM CCOC(=O)[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)Cc1ccccc1 ZINC000191131063 328251196 /nfs/dbraw/zinc/25/11/96/328251196.db2.gz ROGSGMHIMHRNEC-KRWDZBQOSA-N -1 1 352.390 2.416 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)c2cc(Cl)cc(Cl)c2)o1 ZINC000805013647 674312786 /nfs/dbraw/zinc/31/27/86/674312786.db2.gz YTRYNZWSIRWNHI-LBPRGKRZSA-N -1 1 361.206 2.470 20 30 FEEDMM C[C@@H]1[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CCCN1C(=O)OC(C)(C)C ZINC000805071098 674316697 /nfs/dbraw/zinc/31/66/97/674316697.db2.gz NKAXLJYGOHVHPC-DGCLKSJQSA-N -1 1 369.443 2.218 20 30 FEEDMM Cc1ncc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1C#N ZINC000555414651 674360210 /nfs/dbraw/zinc/36/02/10/674360210.db2.gz AXRDIZIKMQDKTC-JTQLQIEISA-N -1 1 362.358 2.300 20 30 FEEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(N)=O)cc1 ZINC000158225006 545837907 /nfs/dbraw/zinc/83/79/07/545837907.db2.gz BPSHCUIBSOPYNH-UHFFFAOYSA-N -1 1 357.435 2.430 20 30 FEEDMM CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481574945 561236392 /nfs/dbraw/zinc/23/63/92/561236392.db2.gz WGBVRNJUUIYDDN-UHFFFAOYSA-N -1 1 374.422 2.455 20 30 FEEDMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cn2)C[C@H](C)O1 ZINC000481854871 561244180 /nfs/dbraw/zinc/24/41/80/561244180.db2.gz CHZGGRXJHHAAAZ-OKILXGFUSA-N -1 1 372.450 2.368 20 30 FEEDMM COC[C@](C)(C#N)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486610921 561352158 /nfs/dbraw/zinc/35/21/58/561352158.db2.gz IPVHOPHKSIVXIH-HNNXBMFYSA-N -1 1 364.199 2.361 20 30 FEEDMM COc1cc(NC(=O)c2ccc(C#N)s2)ccc1[N-]S(C)(=O)=O ZINC000486796143 561356747 /nfs/dbraw/zinc/35/67/47/561356747.db2.gz SOOBVPCKJWWYGJ-UHFFFAOYSA-N -1 1 351.409 2.252 20 30 FEEDMM N#C[C@@H]1CSCCN1C(=O)c1cc(I)ccc1[O-] ZINC000276825609 550600338 /nfs/dbraw/zinc/60/03/38/550600338.db2.gz NZPCOLLHSBPGGM-SECBINFHSA-N -1 1 374.203 2.078 20 30 FEEDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000278014370 550738991 /nfs/dbraw/zinc/73/89/91/550738991.db2.gz VRZSGIJYGRLAQD-UHFFFAOYSA-N -1 1 368.397 2.265 20 30 FEEDMM C=C(C)[C@@H](CC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)OCC ZINC000281625571 551122057 /nfs/dbraw/zinc/12/20/57/551122057.db2.gz GDFSHDJMGUPCNH-CYBMUJFWSA-N -1 1 350.381 2.275 20 30 FEEDMM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)cc1OC ZINC000286993583 551949483 /nfs/dbraw/zinc/94/94/83/551949483.db2.gz SZNMHPAVZPJWSI-NSHDSACASA-N -1 1 350.396 2.078 20 30 FEEDMM COc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1[N-]S(C)(=O)=O ZINC000500239213 561568462 /nfs/dbraw/zinc/56/84/62/561568462.db2.gz UFHPFEYIBKJRLO-UHFFFAOYSA-N -1 1 374.422 2.260 20 30 FEEDMM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2nn3cnnc3s2)o1 ZINC000603835852 553820245 /nfs/dbraw/zinc/82/02/45/553820245.db2.gz RHOSREJHUSKGDK-UHFFFAOYSA-N -1 1 366.362 2.482 20 30 FEEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000329963211 554039717 /nfs/dbraw/zinc/03/97/17/554039717.db2.gz PSMXCILVTQOEOO-UHFFFAOYSA-N -1 1 360.458 2.494 20 30 FEEDMM N=c1nc(N2CCN(C(=O)NC[C@@H]3CCCCC(F)(F)C3)CC2)s[n-]1 ZINC000330202780 554084330 /nfs/dbraw/zinc/08/43/30/554084330.db2.gz ZTRBPCJACWFKRU-LLVKDONJSA-N -1 1 374.461 2.372 20 30 FEEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000509374914 561796896 /nfs/dbraw/zinc/79/68/96/561796896.db2.gz IPYVZIZVNFDXOI-UHFFFAOYSA-N -1 1 355.419 2.446 20 30 FEEDMM CCCCN(C)S(=O)(=O)[N-]c1ccn(-c2cccc(F)c2C#N)n1 ZINC000510098433 561824845 /nfs/dbraw/zinc/82/48/45/561824845.db2.gz HQWFAHKTVWMRIT-UHFFFAOYSA-N -1 1 351.407 2.272 20 30 FEEDMM Cc1nnnn1-c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1C ZINC000365300949 555536005 /nfs/dbraw/zinc/53/60/05/555536005.db2.gz VCWLFYRGFBAOIC-UHFFFAOYSA-N -1 1 368.422 2.260 20 30 FEEDMM C#CCN(Cc1ccccc1)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000376234824 558145671 /nfs/dbraw/zinc/14/56/71/558145671.db2.gz KNIVNJJYMPPGHP-UHFFFAOYSA-N -1 1 372.428 2.345 20 30 FEEDMM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000377382597 558330270 /nfs/dbraw/zinc/33/02/70/558330270.db2.gz LVJNCNNXTFAWAI-MGPLVRAMSA-N -1 1 359.363 2.267 20 30 FEEDMM N#Cc1ccc(NC2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)nc1 ZINC000377840897 558432758 /nfs/dbraw/zinc/43/27/58/558432758.db2.gz WRIVPVKEADSBJQ-UHFFFAOYSA-N -1 1 358.348 2.654 20 30 FEEDMM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000416641312 559326994 /nfs/dbraw/zinc/32/69/94/559326994.db2.gz YXNAIZNVJPYUBN-CQSZACIVSA-N -1 1 364.427 2.277 20 30 FEEDMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000416657595 559328111 /nfs/dbraw/zinc/32/81/11/559328111.db2.gz DRZVGZVOXASJMC-CQSZACIVSA-N -1 1 360.391 2.294 20 30 FEEDMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000426019704 559727807 /nfs/dbraw/zinc/72/78/07/559727807.db2.gz UBFKLYHVLVTMTH-UHFFFAOYSA-N -1 1 372.450 2.373 20 30 FEEDMM C=CCN(C(=O)c1ncc(C)cc1[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000426993776 559745425 /nfs/dbraw/zinc/74/54/25/559745425.db2.gz XGAJFHQAPHRXIB-CQSZACIVSA-N -1 1 364.409 2.461 20 30 FEEDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)c1 ZINC000430670635 559826078 /nfs/dbraw/zinc/82/60/78/559826078.db2.gz USRXLLHFDIMTKV-UHFFFAOYSA-N -1 1 364.448 2.347 20 30 FEEDMM Cc1c(C#N)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000431180020 559835459 /nfs/dbraw/zinc/83/54/59/559835459.db2.gz FWGVJAJVCCXLNQ-UHFFFAOYSA-N -1 1 361.335 2.274 20 30 FEEDMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435720436 559928816 /nfs/dbraw/zinc/92/88/16/559928816.db2.gz BFTBSKTTXOORCX-UHFFFAOYSA-N -1 1 364.448 2.461 20 30 FEEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C3=NNC(=O)CC3)cc2)ccc1C#N ZINC000435719934 559928878 /nfs/dbraw/zinc/92/88/78/559928878.db2.gz RXDMCRQKJYIDKL-UHFFFAOYSA-N -1 1 368.418 2.282 20 30 FEEDMM Cc1cc(N2CCNC2=O)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000442232219 560046641 /nfs/dbraw/zinc/04/66/41/560046641.db2.gz JNUHYLBCJHYGCC-UHFFFAOYSA-N -1 1 370.434 2.392 20 30 FEEDMM N#Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3O)CC2)cc1[O-] ZINC000442977754 560064720 /nfs/dbraw/zinc/06/47/20/560064720.db2.gz WDCCJPLMMLJLPD-UHFFFAOYSA-N -1 1 365.389 2.004 20 30 FEEDMM CCOC(=O)c1cnn(CCC#N)c1[N-]S(=O)(=O)CCC1CCCC1 ZINC000451010124 560282109 /nfs/dbraw/zinc/28/21/09/560282109.db2.gz NGUHWYVOXQCQPS-UHFFFAOYSA-N -1 1 368.459 2.295 20 30 FEEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000532821105 562489871 /nfs/dbraw/zinc/48/98/71/562489871.db2.gz FWLJDDDMHQOIER-GFCCVEGCSA-N -1 1 351.410 2.246 20 30 FEEDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000556307220 674395981 /nfs/dbraw/zinc/39/59/81/674395981.db2.gz SQNDDMQJVRZJRC-INIZCTEOSA-N -1 1 368.430 2.239 20 30 FEEDMM C[C@@H](COc1cccc(C#N)c1)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000736036837 599027778 /nfs/dbraw/zinc/02/77/78/599027778.db2.gz AYDZYBCZGPVOPW-JTQLQIEISA-N -1 1 355.379 2.424 20 30 FEEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(C(F)(F)F)c1 ZINC000737676319 599031706 /nfs/dbraw/zinc/03/17/06/599031706.db2.gz VGUSXTNCWLURPD-ZDUSSCGKSA-N -1 1 373.298 2.275 20 30 FEEDMM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(C(F)(F)F)c1 ZINC000737676319 599031708 /nfs/dbraw/zinc/03/17/08/599031708.db2.gz VGUSXTNCWLURPD-ZDUSSCGKSA-N -1 1 373.298 2.275 20 30 FEEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000819810735 597640269 /nfs/dbraw/zinc/64/02/69/597640269.db2.gz GAQOMGDGAXLROO-IBGZPJMESA-N -1 1 367.409 2.182 20 30 FEEDMM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000819810929 597662855 /nfs/dbraw/zinc/66/28/55/597662855.db2.gz HVIXNUFKOUWNRZ-AUUYWEPGSA-N -1 1 367.409 2.182 20 30 FEEDMM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000819810929 597662856 /nfs/dbraw/zinc/66/28/56/597662856.db2.gz HVIXNUFKOUWNRZ-AUUYWEPGSA-N -1 1 367.409 2.182 20 30 FEEDMM Cc1nn(-c2ccccc2)c(COC(=O)C2(C#N)CCC2)c1-c1nn[n-]n1 ZINC000737503834 599497478 /nfs/dbraw/zinc/49/74/78/599497478.db2.gz MCDUPBMCHXCNDM-UHFFFAOYSA-N -1 1 363.381 2.098 20 30 FEEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000739104783 600562924 /nfs/dbraw/zinc/56/29/24/600562924.db2.gz HPROEUXFIGJWQQ-FQEVSTJZSA-N -1 1 365.433 2.381 20 30 FEEDMM C[C@@H](c1cccnc1)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736723798 600955937 /nfs/dbraw/zinc/95/59/37/600955937.db2.gz GKJFOPXTWWKZCK-KXBFYZLASA-N -1 1 350.422 2.458 20 30 FEEDMM 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C=CCCCCCN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000819740400 599344014 /nfs/dbraw/zinc/34/40/14/599344014.db2.gz ZCBFXTBARDDYTD-UHFFFAOYSA-N -1 1 353.423 2.373 20 30 FEEDMM N#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1F ZINC000739098923 600235470 /nfs/dbraw/zinc/23/54/70/600235470.db2.gz LUAVYPBUKHJLMM-UHFFFAOYSA-N -1 1 356.281 2.475 20 30 FEEDMM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000736662310 600592185 /nfs/dbraw/zinc/59/21/85/600592185.db2.gz NZIZTGJCWRMLHV-SJCJKPOMSA-N -1 1 358.419 2.438 20 30 FEEDMM N#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)s1 ZINC000833071070 601728304 /nfs/dbraw/zinc/72/83/04/601728304.db2.gz VQVYXGJXBQSXAC-LJQANCHMSA-N -1 1 369.446 2.469 20 30 FEEDMM O=C([O-])C(C(O)=Cn1sc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000833163432 602052091 /nfs/dbraw/zinc/05/20/91/602052091.db2.gz HKXGXNLDVWXQDU-UHFFFAOYSA-N -1 1 367.386 2.466 20 30 FEEDMM C=CCC[C@@H](O)CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000825665072 602199416 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O=C([N-]CC[S@@](=O)CC(F)(F)F)C(F)(F)c1c(F)cccc1F ZINC000855276953 682651088 /nfs/dbraw/zinc/65/10/88/682651088.db2.gz VVUYCXYLJTZZQP-HSZRJFAPSA-N -1 1 365.270 2.484 20 30 FEEDMM C=C(C)[C@H](CC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)OCC ZINC000856417834 682779293 /nfs/dbraw/zinc/77/92/93/682779293.db2.gz KEGHKSHKIMZEPQ-AGIUHOORSA-N -1 1 350.381 2.273 20 30 FEEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)c1 ZINC000794579577 682981285 /nfs/dbraw/zinc/98/12/85/682981285.db2.gz MFRUWIGBUYYVRM-UHFFFAOYSA-N -1 1 356.407 2.083 20 30 FEEDMM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OCC)o1 ZINC000796096448 683127225 /nfs/dbraw/zinc/12/72/25/683127225.db2.gz DASBTYHGGMRCOU-OAHLLOKOSA-N -1 1 361.419 2.369 20 30 FEEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccoc1CC(N)=O ZINC000796794458 683196261 /nfs/dbraw/zinc/19/62/61/683196261.db2.gz UEGNHTPBDSPEGU-JTQLQIEISA-N -1 1 363.732 2.061 20 30 FEEDMM N#CCCN(CCC#N)C(=O)c1ccc(I)cc1[O-] ZINC000864977184 683917528 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605472884 /nfs/dbraw/zinc/47/28/84/605472884.db2.gz KWSYLGCCDCODII-UHFFFAOYSA-N -1 1 370.453 2.051 20 30 FEEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833960924 606012739 /nfs/dbraw/zinc/01/27/39/606012739.db2.gz MURAHLQGNBLYMU-JTQLQIEISA-N -1 1 359.729 2.181 20 30 FEEDMM C[C@H](COc1cccc(C#N)c1)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820292739 606178109 /nfs/dbraw/zinc/17/81/09/606178109.db2.gz FZOGXLLOECJPIG-SNVBAGLBSA-N -1 1 355.379 2.424 20 30 FEEDMM C[C@H](COc1cccc(C#N)c1)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820292739 606178110 /nfs/dbraw/zinc/17/81/10/606178110.db2.gz FZOGXLLOECJPIG-SNVBAGLBSA-N -1 1 355.379 2.424 20 30 FEEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(N3CCCC3)nc2)o1 ZINC000820201959 606917016 /nfs/dbraw/zinc/91/70/16/606917016.db2.gz COWQCFABBSMFCC-UHFFFAOYSA-N -1 1 367.417 2.419 20 30 FEEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2nc3ccccc3n2C)o1 ZINC000824352771 607886526 /nfs/dbraw/zinc/88/65/26/607886526.db2.gz MRDZQDPZRDRBLJ-UHFFFAOYSA-N -1 1 351.374 2.311 20 30 FEEDMM C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1cccs1 ZINC000823937361 608433770 /nfs/dbraw/zinc/43/37/70/608433770.db2.gz UKUZRFFOWCDNPL-UHFFFAOYSA-N -1 1 369.439 2.314 20 30 FEEDMM C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1cccs1 ZINC000823937361 608433772 /nfs/dbraw/zinc/43/37/72/608433772.db2.gz UKUZRFFOWCDNPL-UHFFFAOYSA-N -1 1 369.439 2.314 20 30 FEEDMM Cc1nc(-c2nn[n-]n2)c(N=NCC(C)(C)N(C)C(=O)OC(C)(C)C)o1 ZINC000826323216 608883209 /nfs/dbraw/zinc/88/32/09/608883209.db2.gz VINXDJJVKKBXJS-UHFFFAOYSA-N -1 1 364.410 2.206 20 30 FEEDMM O=S1(=O)[N-]C(=NN=C2CC[C@@H]3CNc4cccc2c43)c2ccccc21 ZINC000814798848 674880237 /nfs/dbraw/zinc/88/02/37/674880237.db2.gz OFKIHEKMXQYNSS-LLVKDONJSA-N -1 1 352.419 2.432 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000563877839 674948713 /nfs/dbraw/zinc/94/87/13/674948713.db2.gz GYCHTDGQQLKSPK-UHFFFAOYSA-N -1 1 360.351 2.062 20 30 FEEDMM C=C(C)CN(CC)C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000062294798 670399998 /nfs/dbraw/zinc/39/99/98/670399998.db2.gz UYDPHLPGAXJCGJ-UHFFFAOYSA-N -1 1 368.455 2.030 20 30 FEEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCc2cccnc2CC1 ZINC000817326155 675122368 /nfs/dbraw/zinc/12/23/68/675122368.db2.gz SOHKYQFTOXGLBC-UHFFFAOYSA-N -1 1 360.395 2.203 20 30 FEEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 ZINC000108250188 670826704 /nfs/dbraw/zinc/82/67/04/670826704.db2.gz WTNFMSOONVLFRM-UHFFFAOYSA-N -1 1 358.419 2.201 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCOc2cccc3cccnc32)o1 ZINC000573589634 671140409 /nfs/dbraw/zinc/14/04/09/671140409.db2.gz JUFRXAWSHPVDGW-UHFFFAOYSA-N -1 1 357.391 2.447 20 30 FEEDMM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1nc(Cc2ccccc2)no1 ZINC000573947625 671185203 /nfs/dbraw/zinc/18/52/03/671185203.db2.gz CDRHUOMIEPDAGA-ZDUSSCGKSA-N -1 1 360.439 2.335 20 30 FEEDMM C=CCCS(=O)(=O)[N-]c1cc(I)ccc1O ZINC000611291239 676030108 /nfs/dbraw/zinc/03/01/08/676030108.db2.gz HQIPUGSXSJOBBC-UHFFFAOYSA-N -1 1 353.181 2.315 20 30 FEEDMM CCOC(=O)[C@]1([N-]S(=O)(=O)CC(C)(C)CC#N)CCc2ccccc21 ZINC000590747082 672608763 /nfs/dbraw/zinc/60/87/63/672608763.db2.gz ORYBSCRVEQXKMZ-SFHVURJKSA-N -1 1 364.467 2.250 20 30 FEEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1[N+](=O)[O-] ZINC000327288597 673058654 /nfs/dbraw/zinc/05/86/54/673058654.db2.gz LWDGVRGMXUTQHE-UHFFFAOYSA-N -1 1 363.351 2.307 20 30 FEEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC(C)(C)CC#N)c1F ZINC000594464691 673077244 /nfs/dbraw/zinc/07/72/44/673077244.db2.gz RRQOYKMZPSIZOA-UHFFFAOYSA-N -1 1 362.810 2.484 20 30 FEEDMM N#Cc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594783946 673141209 /nfs/dbraw/zinc/14/12/09/673141209.db2.gz VLNMTSNWGJZOAW-CQSZACIVSA-N -1 1 358.379 2.217 20 30 FEEDMM C[C@@H]1Oc2c(ccc(Cl)c2Cl)C1=NNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000731154805 673324298 /nfs/dbraw/zinc/32/42/98/673324298.db2.gz DWUPOVZQDJVQOW-YFKPBYRVSA-N -1 1 365.180 2.336 20 30 FEEDMM O=c1nc(NN=Cc2c(Cl)cccc2OC(F)F)nc2[nH][n-]cc1-2 ZINC000732925384 673390246 /nfs/dbraw/zinc/39/02/46/673390246.db2.gz ZHLMHVQSPWSOHP-UHFFFAOYSA-N -1 1 354.704 2.133 20 30 FEEDMM CSc1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)ccn1 ZINC000537869002 673412420 /nfs/dbraw/zinc/41/24/20/673412420.db2.gz PKIXSVYVNOXKSQ-UHFFFAOYSA-N -1 1 364.408 2.062 20 30 FEEDMM Cc1cc(C)n(-c2nncn2N=Cc2ccc([O-])c(Br)c2)n1 ZINC000744754935 673809976 /nfs/dbraw/zinc/80/99/76/673809976.db2.gz FZJODGMFEBLRQR-UHFFFAOYSA-N -1 1 361.203 2.431 20 30 FEEDMM O=C(NO)c1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000746263824 673869602 /nfs/dbraw/zinc/86/96/02/673869602.db2.gz RQFYJHGEXMXTNZ-UHFFFAOYSA-N -1 1 365.183 2.204 20 30 FEEDMM N#Cc1ncn(Cc2coc(-c3cccc(Cl)c3)n2)c1-c1nn[n-]n1 ZINC000826388144 675687618 /nfs/dbraw/zinc/68/76/18/675687618.db2.gz KAPQRLVAVFUOHM-UHFFFAOYSA-N -1 1 352.745 2.292 20 30 FEEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1-n1cnnn1 ZINC000603973631 675802686 /nfs/dbraw/zinc/80/26/86/675802686.db2.gz WPGOTIXSUUSNPH-UHFFFAOYSA-N -1 1 374.813 2.297 20 30 FEEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(O)cccc2F)c1 ZINC000608342212 675889106 /nfs/dbraw/zinc/88/91/06/675889106.db2.gz YPTJTLGMCYSMHP-UHFFFAOYSA-N -1 1 350.371 2.248 20 30 FEEDMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1F ZINC000619463343 676377768 /nfs/dbraw/zinc/37/77/68/676377768.db2.gz LAMDALKJGDYOTJ-UHFFFAOYSA-N -1 1 361.398 2.394 20 30 FEEDMM COc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1NC(N)=O ZINC000619463400 676377798 /nfs/dbraw/zinc/37/77/98/676377798.db2.gz UYOXYJUDIULONB-UHFFFAOYSA-N -1 1 360.395 2.053 20 30 FEEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1N ZINC000619855953 676397375 /nfs/dbraw/zinc/39/73/75/676397375.db2.gz XDDTXNKKOOFSHT-UHFFFAOYSA-N -1 1 365.798 2.381 20 30 FEEDMM C#CCOc1ccccc1[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000761166932 680713481 /nfs/dbraw/zinc/71/34/81/680713481.db2.gz NLHCDSUDUYEUGU-LBPRGKRZSA-N -1 1 363.391 2.118 20 30 FEEDMM N#Cc1c(F)ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1Cl ZINC000761782131 680731690 /nfs/dbraw/zinc/73/16/90/680731690.db2.gz PLTCCYIUCVYFMB-UHFFFAOYSA-N -1 1 362.773 2.423 20 30 FEEDMM C[C@@H]1CC(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)=NO1 ZINC000763261435 680777734 /nfs/dbraw/zinc/77/77/34/680777734.db2.gz XBUWWCWHHNJZBR-GFCCVEGCSA-N -1 1 359.407 2.340 20 30 FEEDMM COc1cc2c(cc1OC)C(=N[N-]c1ncnc3ccsc31)C(=O)N2 ZINC000764840630 680822410 /nfs/dbraw/zinc/82/24/10/680822410.db2.gz LFAXUEKJMNVKFV-UHFFFAOYSA-N -1 1 355.379 2.477 20 30 FEEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCOc2c(F)cccc21 ZINC000748255145 679945890 /nfs/dbraw/zinc/94/58/90/679945890.db2.gz NFMFOOONPGXWDH-UHFFFAOYSA-N -1 1 365.342 2.199 20 30 FEEDMM C#CCO[C@@H](C)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000835040347 680290248 /nfs/dbraw/zinc/29/02/48/680290248.db2.gz PPFFOZHXJMXKDN-CMPLNLGQSA-N -1 1 355.419 2.490 20 30 FEEDMM C[C@H](NC(=S)NN=Cc1cc(O)c([O-])c(Br)c1)C1CC1 ZINC000757583418 680526881 /nfs/dbraw/zinc/52/68/81/680526881.db2.gz CGVVCFNBRLFLBF-ZETCQYMHSA-N -1 1 358.261 2.457 20 30 FEEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1C ZINC000758118353 680556327 /nfs/dbraw/zinc/55/63/27/680556327.db2.gz XPDNJSCMYGFAEB-UHFFFAOYSA-N -1 1 362.411 2.329 20 30 FEEDMM O=c1nc(NN=C2CCOc3cc(Cl)cc(Cl)c32)nc2[nH][n-]cc1-2 ZINC000758874239 680612994 /nfs/dbraw/zinc/61/29/94/680612994.db2.gz SMVHHASKBGUNOG-UHFFFAOYSA-N -1 1 365.180 2.338 20 30 FEEDMM COC(=O)c1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000760181908 680679014 /nfs/dbraw/zinc/67/90/14/680679014.db2.gz CWNPUMZCOMTHBX-LBPRGKRZSA-N -1 1 357.753 2.483 20 30 FEEDMM C#CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)OC ZINC000841541778 680894701 /nfs/dbraw/zinc/89/47/01/680894701.db2.gz XEKUBVJOUBJAAU-SNVBAGLBSA-N -1 1 369.748 2.202 20 30 FEEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000768505584 680948576 /nfs/dbraw/zinc/94/85/76/680948576.db2.gz SJSOVSVLFXCKDW-UHFFFAOYSA-N -1 1 367.329 2.476 20 30 FEEDMM C=CCNS(=O)(=O)c1cc(C(=O)Nc2c([O-])cccc2F)ccc1F ZINC000770860138 681029735 /nfs/dbraw/zinc/02/97/35/681029735.db2.gz AWHHQEUNEFQJHP-UHFFFAOYSA-N -1 1 368.361 2.387 20 30 FEEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)[C@@H]1CCCO1 ZINC000773056743 681123005 /nfs/dbraw/zinc/12/30/05/681123005.db2.gz NGNAKRBWKZLUPK-NEPJUHHUSA-N -1 1 362.220 2.047 20 30 FEEDMM Cn1ncc(Br)c1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000782348576 682031594 /nfs/dbraw/zinc/03/15/94/682031594.db2.gz SRUQMKLKMFSBMA-HWKANZROSA-N -1 1 351.156 2.483 20 30 FEEDMM NS(=O)(=O)c1ccc(N=NCc2cc(Cl)cc(Cl)c2[O-])nc1 ZINC000914695834 685509205 /nfs/dbraw/zinc/50/92/05/685509205.db2.gz KWWIUQRTVVIBRJ-UHFFFAOYSA-N -1 1 361.210 2.187 20 30 FEEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cccc1N1CCNC1=O ZINC000782509545 682052262 /nfs/dbraw/zinc/05/22/62/682052262.db2.gz NSMCQMKEAPUQLT-UHFFFAOYSA-N -1 1 356.407 2.197 20 30 FEEDMM COC1(OC)CCCC[C@@H]1[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000918056647 685536849 /nfs/dbraw/zinc/53/68/49/685536849.db2.gz URSACRJNSWGVOA-HNNXBMFYSA-N -1 1 356.419 2.048 20 30 FEEDMM C=C(C)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000852520851 682294630 /nfs/dbraw/zinc/29/46/30/682294630.db2.gz PIYPOLGNAUOXTD-NEPJUHHUSA-N -1 1 350.381 2.416 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)cc1F ZINC000793359835 682884873 /nfs/dbraw/zinc/88/48/73/682884873.db2.gz XZWCFCWODWVROP-UHFFFAOYSA-N -1 1 361.354 2.455 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(N3CCOC3=O)c2)cc1 ZINC000794604856 682983377 /nfs/dbraw/zinc/98/33/77/682983377.db2.gz VRKCIHMAJBWDDC-UHFFFAOYSA-N -1 1 361.354 2.455 20 30 FEEDMM COc1cc(C=NNc2nc(C)cc(=O)[n-]2)c(Br)cc1O ZINC000921254630 683411473 /nfs/dbraw/zinc/41/14/73/683411473.db2.gz QRSVUPFHFVXFDB-UHFFFAOYSA-N -1 1 353.176 2.413 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)cc1Cl ZINC000921863648 683598997 /nfs/dbraw/zinc/59/89/97/683598997.db2.gz XWFZSMNJTPNZDO-JOYOIKCWSA-N -1 1 368.764 2.457 20 30 FEEDMM COc1cccc(N=C2NN=C(CC[N-]C(=O)C(F)(F)F)CS2)c1 ZINC000864344070 683839934 /nfs/dbraw/zinc/83/99/34/683839934.db2.gz FTBQKGFMOPAUQT-UHFFFAOYSA-N -1 1 360.361 2.444 20 30 FEEDMM N#CCc1ccccc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000868444931 684495378 /nfs/dbraw/zinc/49/53/78/684495378.db2.gz VGSBLWAMRIUVIF-GFCCVEGCSA-N -1 1 353.344 2.283 20 30 FEEDMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC000872007061 684912683 /nfs/dbraw/zinc/91/26/83/684912683.db2.gz ITEYQYIVFXDAGR-UHFFFAOYSA-N -1 1 354.382 2.496 20 30 FEEDMM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)cc1OC ZINC000901771780 690692487 /nfs/dbraw/zinc/69/24/87/690692487.db2.gz LWPNBPNUSYEJPZ-LLVKDONJSA-N -1 1 372.752 2.480 20 30 FEEDMM Cc1nn(C)c2nc(C)cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c12 ZINC000041507045 540023643 /nfs/dbraw/zinc/02/36/43/540023643.db2.gz OBQOQAOAKRLQOA-AWEZNQCLSA-N -1 1 363.425 2.393 20 30 FEEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(N)=O)cc1 ZINC000076937896 542331552 /nfs/dbraw/zinc/33/15/52/542331552.db2.gz LVZYYWOMHHSUAY-UHFFFAOYSA-N -1 1 357.435 2.430 20 30 FEEDMM C[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000068925838 221319062 /nfs/dbraw/zinc/31/90/62/221319062.db2.gz PTEQDTDRXPSMCZ-JTQLQIEISA-N -1 1 365.361 2.407 20 30 FEEDMM Cc1cccc2nc(CNC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)[nH]c21 ZINC000154923707 544966530 /nfs/dbraw/zinc/96/65/30/544966530.db2.gz KGLFCZUEWDSGNE-UHFFFAOYSA-N -1 1 363.421 2.297 20 30 FEEDMM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1F ZINC000190760982 328230896 /nfs/dbraw/zinc/23/08/96/328230896.db2.gz XGYIDFPIIGVEIP-UHFFFAOYSA-N -1 1 367.380 2.310 20 30 FEEDMM N#Cc1ccc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1[O-] ZINC000190854063 328236150 /nfs/dbraw/zinc/23/61/50/328236150.db2.gz OFZIXLGRDTXJET-UHFFFAOYSA-N -1 1 355.419 2.314 20 30 FEEDMM N#Cc1ccccc1N1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000103268178 325511599 /nfs/dbraw/zinc/51/15/99/325511599.db2.gz DEWDGLFNGNTADL-UHFFFAOYSA-N -1 1 373.416 2.147 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)cc1 ZINC000120385672 326254860 /nfs/dbraw/zinc/25/48/60/326254860.db2.gz SWFKRTWWLUCWRX-UHFFFAOYSA-N -1 1 357.435 2.191 20 30 FEEDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000135378971 326640315 /nfs/dbraw/zinc/64/03/15/326640315.db2.gz AAMIJNIFJBRWHQ-UHFFFAOYSA-N -1 1 351.315 2.415 20 30 FEEDMM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)n1 ZINC000157136993 326855856 /nfs/dbraw/zinc/85/58/56/326855856.db2.gz LAUYKGHOJFWQLT-VIFPVBQESA-N -1 1 352.397 2.271 20 30 FEEDMM N#Cc1ccc(OCC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000173536089 327264490 /nfs/dbraw/zinc/26/44/90/327264490.db2.gz PDZIWZPPXBFADS-UHFFFAOYSA-N -1 1 356.325 2.333 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])o1 ZINC000805080229 674317618 /nfs/dbraw/zinc/31/76/18/674317618.db2.gz GUSDIBWAGXRMIZ-UHFFFAOYSA-N -1 1 357.185 2.098 20 30 FEEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000172367225 546249850 /nfs/dbraw/zinc/24/98/50/546249850.db2.gz LQMRLDGBZPRIBP-KRWDZBQOSA-N -1 1 364.467 2.422 20 30 FEEDMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000177115994 546547613 /nfs/dbraw/zinc/54/76/13/546547613.db2.gz BRYSNKRKJDTURM-UHFFFAOYSA-N -1 1 366.345 2.102 20 30 FEEDMM C=CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000180782486 547177939 /nfs/dbraw/zinc/17/79/39/547177939.db2.gz VFXZTJKKKPBHQK-LLVKDONJSA-N -1 1 363.357 2.226 20 30 FEEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000192760962 548372507 /nfs/dbraw/zinc/37/25/07/548372507.db2.gz ZDYBIUKLYLTZOF-UHFFFAOYSA-N -1 1 356.407 2.458 20 30 FEEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)C[C@@H](C)OC)cc1 ZINC000193318812 548385379 /nfs/dbraw/zinc/38/53/79/548385379.db2.gz VZAZISAWUCJVOE-CQSZACIVSA-N -1 1 352.456 2.277 20 30 FEEDMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccccc3CC#N)cc21 ZINC000193362547 548386264 /nfs/dbraw/zinc/38/62/64/548386264.db2.gz FNMYEDGNRAXEAY-UHFFFAOYSA-N -1 1 355.419 2.462 20 30 FEEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)ccc1Cl ZINC000486839619 561357876 /nfs/dbraw/zinc/35/78/76/561357876.db2.gz VTGGDBNNGXGNAY-UHFFFAOYSA-N -1 1 360.786 2.193 20 30 FEEDMM Cc1cc(C(=O)N2CCOCC2)ccc1/N=C/c1ccc(O)c([O-])c1O ZINC000270979038 550327818 /nfs/dbraw/zinc/32/78/18/550327818.db2.gz BHZOUBHBWOZTLI-RGVLZGJSSA-N -1 1 356.378 2.335 20 30 FEEDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3(C#N)CCCCC3)CC2)n1 ZINC000277587526 550688387 /nfs/dbraw/zinc/68/83/87/550688387.db2.gz CXRBUSNWBKOTRK-UHFFFAOYSA-N -1 1 359.430 2.161 20 30 FEEDMM O=C([N-]CC1CCN(C(=O)NCC#Cc2ccccc2)CC1)C(F)(F)F ZINC000281059494 551059342 /nfs/dbraw/zinc/05/93/42/551059342.db2.gz RLCKNOWJCQDUSH-UHFFFAOYSA-N -1 1 367.371 2.138 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000286521185 551895406 /nfs/dbraw/zinc/89/54/06/551895406.db2.gz FQNDKOZELOWWOW-QGZVFWFLSA-N -1 1 360.391 2.352 20 30 FEEDMM CCOc1cc(CCC[N-]S(=O)(=O)c2ccc(C#N)o2)ccc1OC ZINC000286953712 551944176 /nfs/dbraw/zinc/94/41/76/551944176.db2.gz QXWIVAFMBGROBY-UHFFFAOYSA-N -1 1 364.423 2.470 20 30 FEEDMM C=C(C)[C@@H](CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)OCC ZINC000292649190 552746085 /nfs/dbraw/zinc/74/60/85/552746085.db2.gz XQTFQBXVCLEHAO-JHJVBQTASA-N -1 1 350.381 2.416 20 30 FEEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CC#N)c2)cc1 ZINC000504608764 561660193 /nfs/dbraw/zinc/66/01/93/561660193.db2.gz UVNLYVYOHCOPHQ-UHFFFAOYSA-N -1 1 373.434 2.482 20 30 FEEDMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1CCCC(=O)N1 ZINC000328783002 553821769 /nfs/dbraw/zinc/82/17/69/553821769.db2.gz NIXIRINMJAMLQP-GFCCVEGCSA-N -1 1 367.427 2.274 20 30 FEEDMM CC1(CNC(=O)N2CCN(c3nc(=N)[n-]s3)CC2)CCCCCC1 ZINC000329479231 553954184 /nfs/dbraw/zinc/95/41/84/553954184.db2.gz OYKNYFYDUACOBC-UHFFFAOYSA-N -1 1 352.508 2.517 20 30 FEEDMM Cn1cc(C#N)c(=NC(=O)NCC(C)(C)N2CCc3ccccc3C2)[n-]1 ZINC000610560570 554528769 /nfs/dbraw/zinc/52/87/69/554528769.db2.gz GEQKFUIXTUWPFT-UHFFFAOYSA-N -1 1 352.442 2.250 20 30 FEEDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccncc1F ZINC000510612345 561840545 /nfs/dbraw/zinc/84/05/45/561840545.db2.gz CNMOTYWJKCBKFN-VIFPVBQESA-N -1 1 350.331 2.040 20 30 FEEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)CO3)n1 ZINC000512965162 561921143 /nfs/dbraw/zinc/92/11/43/561921143.db2.gz ZNBGRSGNVWSONN-SNVBAGLBSA-N -1 1 371.374 2.141 20 30 FEEDMM N#Cc1ccc(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)cc1[O-] ZINC000516505782 562045181 /nfs/dbraw/zinc/04/51/81/562045181.db2.gz HHLCBVBYSSOGIY-CYBMUJFWSA-N -1 1 353.378 2.004 20 30 FEEDMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)ccc2O1 ZINC000371254537 557121092 /nfs/dbraw/zinc/12/10/92/557121092.db2.gz XARCTFPQIIVBPP-KRWDZBQOSA-N -1 1 372.402 2.226 20 30 FEEDMM N#Cc1cccc(CNC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000519725760 562141589 /nfs/dbraw/zinc/14/15/89/562141589.db2.gz PTFJFIMXQNVHRQ-UHFFFAOYSA-N -1 1 350.350 2.400 20 30 FEEDMM N#CCCn1ccc(=NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)[nH]1 ZINC000377912029 558446566 /nfs/dbraw/zinc/44/65/66/558446566.db2.gz KTARSRZSVQICHP-UHFFFAOYSA-N -1 1 367.409 2.629 20 30 FEEDMM COc1cc(NC(=O)NCc2cccc(C#N)c2)ccc1[N-]S(C)(=O)=O ZINC000525414684 562247736 /nfs/dbraw/zinc/24/77/36/562247736.db2.gz ZPSMHSAPPVRVPT-UHFFFAOYSA-N -1 1 374.422 2.260 20 30 FEEDMM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000526960218 562271013 /nfs/dbraw/zinc/27/10/13/562271013.db2.gz ODCOPSSJHWESEA-KRWDZBQOSA-N -1 1 356.813 2.463 20 30 FEEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(N2CCOC(C)(C)C2)cc1OC ZINC000416962297 559340468 /nfs/dbraw/zinc/34/04/68/559340468.db2.gz SZXSYTLGSWAZCZ-CQSZACIVSA-N -1 1 367.471 2.354 20 30 FEEDMM C=CCN(C(=O)c1ncccc1[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000426994083 559745433 /nfs/dbraw/zinc/74/54/33/559745433.db2.gz YBTLVGVRXHNKIJ-CYBMUJFWSA-N -1 1 350.382 2.152 20 30 FEEDMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427114610 559748115 /nfs/dbraw/zinc/74/81/15/559748115.db2.gz QCYWYQOGUFGNRR-UHFFFAOYSA-N -1 1 364.354 2.050 20 30 FEEDMM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427113984 559748166 /nfs/dbraw/zinc/74/81/66/559748166.db2.gz MNHITAQDTZNTGT-UHFFFAOYSA-N -1 1 372.450 2.208 20 30 FEEDMM C=CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000428274118 559772699 /nfs/dbraw/zinc/77/26/99/559772699.db2.gz HKPYLEGVUMLWHY-UHFFFAOYSA-N -1 1 374.418 2.474 20 30 FEEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000437492987 559965265 /nfs/dbraw/zinc/96/52/65/559965265.db2.gz DOVFVOKHYJLSIU-IUODEOHRSA-N -1 1 370.471 2.067 20 30 FEEDMM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442823682 560058476 /nfs/dbraw/zinc/05/84/76/560058476.db2.gz IOBHIQMTHULQLH-UHFFFAOYSA-N -1 1 353.378 2.373 20 30 FEEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000442954776 560063628 /nfs/dbraw/zinc/06/36/28/560063628.db2.gz HNAJNNLAZLCKSO-GFCCVEGCSA-N -1 1 373.434 2.005 20 30 FEEDMM C=CCc1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000445171111 560130233 /nfs/dbraw/zinc/13/02/33/560130233.db2.gz FPYIIYNBANSHJS-UHFFFAOYSA-N -1 1 373.365 2.371 20 30 FEEDMM CC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451220133 560293942 /nfs/dbraw/zinc/29/39/42/560293942.db2.gz QVBHLDDPPOXMAG-SECBINFHSA-N -1 1 365.224 2.163 20 30 FEEDMM C[C@@H](C#N)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475724504 561103508 /nfs/dbraw/zinc/10/35/08/561103508.db2.gz UCYAQLQOCPWSHI-LBPRGKRZSA-N -1 1 361.398 2.402 20 30 FEEDMM COc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1[N-]S(C)(=O)=O ZINC000531387906 562444400 /nfs/dbraw/zinc/44/44/00/562444400.db2.gz BMSQGLDPZKUDDG-UHFFFAOYSA-N -1 1 359.407 2.120 20 30 FEEDMM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)N3CCCC3)n2)c(Cl)c1 ZINC000541126045 562603781 /nfs/dbraw/zinc/60/37/81/562603781.db2.gz WLHGVJQXSZVICG-UHFFFAOYSA-N -1 1 351.819 2.150 20 30 FEEDMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@@H](C)N1CC#N ZINC000603105933 568062354 /nfs/dbraw/zinc/06/23/54/568062354.db2.gz GEZVUJUEIAJFOJ-GHMZBOCLSA-N -1 1 352.232 2.213 20 30 FEEDMM C=CCCCCCN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735409245 598876523 /nfs/dbraw/zinc/87/65/23/598876523.db2.gz WINCWRXBURGYLF-UHFFFAOYSA-N -1 1 353.423 2.373 20 30 FEEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1C ZINC000822224829 607255342 /nfs/dbraw/zinc/25/53/42/607255342.db2.gz BZRJQTQCKHCNCC-UHFFFAOYSA-N -1 1 354.395 2.156 20 30 FEEDMM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737035277 598983083 /nfs/dbraw/zinc/98/30/83/598983083.db2.gz QDSDMAXOLJYYIP-UHFFFAOYSA-N -1 1 356.729 2.015 20 30 FEEDMM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737035277 598983084 /nfs/dbraw/zinc/98/30/84/598983084.db2.gz QDSDMAXOLJYYIP-UHFFFAOYSA-N -1 1 356.729 2.015 20 30 FEEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc3c(c2)CCN3C)o1 ZINC000824280775 607782992 /nfs/dbraw/zinc/78/29/92/607782992.db2.gz UAKXQPVCYDCFKP-UHFFFAOYSA-N -1 1 366.429 2.492 20 30 FEEDMM CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000737201981 600135390 /nfs/dbraw/zinc/13/53/90/600135390.db2.gz CTNOKCGCZFHSHG-OAHLLOKOSA-N -1 1 359.426 2.129 20 30 FEEDMM Cc1cc(C#N)ccc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826257284 607444112 /nfs/dbraw/zinc/44/41/12/607444112.db2.gz WDSPCIAMNQHLOW-UHFFFAOYSA-N -1 1 350.386 2.251 20 30 FEEDMM Cc1cc(C#N)ccc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826257284 607444114 /nfs/dbraw/zinc/44/41/14/607444114.db2.gz WDSPCIAMNQHLOW-UHFFFAOYSA-N -1 1 350.386 2.251 20 30 FEEDMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000736662309 600592128 /nfs/dbraw/zinc/59/21/28/600592128.db2.gz NZIZTGJCWRMLHV-PXAZEXFGSA-N -1 1 358.419 2.438 20 30 FEEDMM C[C@@H](c1cccnc1)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736723796 600955823 /nfs/dbraw/zinc/95/58/23/600955823.db2.gz GKJFOPXTWWKZCK-HNAYVOBHSA-N -1 1 350.422 2.458 20 30 FEEDMM N#Cc1cc([O-])cc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000809712120 674506849 /nfs/dbraw/zinc/50/68/49/674506849.db2.gz CIBBNPWZXFMOBH-HOCLYGCPSA-N -1 1 358.419 2.290 20 30 FEEDMM C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809826266 674513376 /nfs/dbraw/zinc/51/33/76/674513376.db2.gz AOQPUANPVWZQCS-UHFFFAOYSA-N -1 1 352.771 2.258 20 30 FEEDMM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000831087412 603604097 /nfs/dbraw/zinc/60/40/97/603604097.db2.gz LSKQVGGQGJONNS-JTQLQIEISA-N -1 1 359.773 2.058 20 30 FEEDMM N#CCCN(C(=O)CN1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1)c1ccccc1 ZINC000833965535 605439964 /nfs/dbraw/zinc/43/99/64/605439964.db2.gz NDFQXQUDXGHCEB-JQHSSLGASA-N -1 1 370.453 2.301 20 30 FEEDMM N#Cc1ccc(N2CC[C@@H](N3CCC4(C3)CCN(C(=O)[O-])CC4)C2=O)cc1 ZINC000833974674 605899620 /nfs/dbraw/zinc/89/96/20/605899620.db2.gz VJIIQUMBABAXTP-QGZVFWFLSA-N -1 1 368.437 2.129 20 30 FEEDMM C=CCc1cc(CNc2ccc(-c3nnn[n-]3)nn2)cc(OC)c1OC ZINC000823937191 608407945 /nfs/dbraw/zinc/40/79/45/608407945.db2.gz LXSQRTVZTFHKDD-UHFFFAOYSA-N -1 1 353.386 2.015 20 30 FEEDMM C=CCc1cc(CNc2ccc(-c3nn[n-]n3)nn2)cc(OC)c1OC ZINC000823937191 608407946 /nfs/dbraw/zinc/40/79/46/608407946.db2.gz LXSQRTVZTFHKDD-UHFFFAOYSA-N -1 1 353.386 2.015 20 30 FEEDMM C=CC[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823888321 609357128 /nfs/dbraw/zinc/35/71/28/609357128.db2.gz IVEXMYVKJKGIKH-SNVBAGLBSA-N -1 1 356.365 2.278 20 30 FEEDMM C=CC[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823888320 609357315 /nfs/dbraw/zinc/35/73/15/609357315.db2.gz IVEXMYVKJKGIKH-JTQLQIEISA-N -1 1 356.365 2.278 20 30 FEEDMM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc2cn[nH]c21 ZINC000048537127 670266869 /nfs/dbraw/zinc/26/68/69/670266869.db2.gz OOYDSHJJSFJITE-UHFFFAOYSA-N -1 1 360.351 2.306 20 30 FEEDMM C#CC[C@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccn1 ZINC000073294069 670501253 /nfs/dbraw/zinc/50/12/53/670501253.db2.gz OUGVKCWTRGUXRD-HNNXBMFYSA-N -1 1 357.435 2.436 20 30 FEEDMM Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])ccc1C#N ZINC000570660327 670748490 /nfs/dbraw/zinc/74/84/90/670748490.db2.gz WQFUGMYEUSKIAJ-UHFFFAOYSA-N -1 1 361.335 2.274 20 30 FEEDMM N#Cc1cncc(S(=O)(=O)[N-]c2cc(-c3cc(F)cc(F)c3)n[nH]2)c1 ZINC000583136812 672066685 /nfs/dbraw/zinc/06/66/85/672066685.db2.gz SXODXYLNMZRWBC-UHFFFAOYSA-N -1 1 361.333 2.422 20 30 FEEDMM C#CCOCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000161264177 672296361 /nfs/dbraw/zinc/29/63/61/672296361.db2.gz XWNAEEKVWGIIAS-UHFFFAOYSA-N -1 1 358.419 2.466 20 30 FEEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000589168638 672511360 /nfs/dbraw/zinc/51/13/60/672511360.db2.gz SFUDJQNNSDCPBD-UHFFFAOYSA-N -1 1 357.391 2.056 20 30 FEEDMM N#CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000594337454 673060491 /nfs/dbraw/zinc/06/04/91/673060491.db2.gz VCWMYZJBAJXGKW-UHFFFAOYSA-N -1 1 351.428 2.199 20 30 FEEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)c1F ZINC000594576370 673101447 /nfs/dbraw/zinc/10/14/47/673101447.db2.gz LHKAXGWPXWDHDS-CQSZACIVSA-N -1 1 360.794 2.236 20 30 FEEDMM O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1cc(C(F)(F)F)ccc1F ZINC000542703805 673598553 /nfs/dbraw/zinc/59/85/53/673598553.db2.gz XFVQAFZFTXFETC-VIFPVBQESA-N -1 1 369.258 2.436 20 30 FEEDMM CO[C@]1(C)CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000746575209 673884260 /nfs/dbraw/zinc/88/42/60/673884260.db2.gz AECZZCRHKRTPPH-OAHLLOKOSA-N -1 1 355.416 2.205 20 30 FEEDMM N#Cc1cc([O-])cc(C(=O)NCCCCn2cc(Br)cn2)c1 ZINC000619418279 676375864 /nfs/dbraw/zinc/37/58/64/676375864.db2.gz FWYBFHNEVACSDF-UHFFFAOYSA-N -1 1 363.215 2.433 20 30 FEEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)c1 ZINC000619462161 676377860 /nfs/dbraw/zinc/37/78/60/676377860.db2.gz JUSIDWHUFMTYJO-UHFFFAOYSA-N -1 1 357.370 2.273 20 30 FEEDMM C#CCCc1noc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000762007678 680737211 /nfs/dbraw/zinc/73/72/11/680737211.db2.gz RQNJMJQNIJLQJK-UHFFFAOYSA-N -1 1 359.329 2.133 20 30 FEEDMM CCn1c(C)cc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000748248233 679945164 /nfs/dbraw/zinc/94/51/64/679945164.db2.gz JQQXRYNSGVQUSG-UHFFFAOYSA-N -1 1 350.400 2.345 20 30 FEEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000748248348 679945301 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Cn1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c(-c2cccs2)n1 ZINC000769568907 680987288 /nfs/dbraw/zinc/98/72/88/680987288.db2.gz BVOIJHFQJUZWOT-UHFFFAOYSA-N -1 1 371.447 2.221 20 30 FEEDMM C=C[C@@H](C)ONC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000845619663 681141537 /nfs/dbraw/zinc/14/15/37/681141537.db2.gz OIOYINFNLCLUKA-ZYHUDNBSSA-N -1 1 357.332 2.312 20 30 FEEDMM C#CCCCCC(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000773635571 681150883 /nfs/dbraw/zinc/15/08/83/681150883.db2.gz QOJLGEIXJDDZIZ-UHFFFAOYSA-N -1 1 353.321 2.281 20 30 FEEDMM C=C[C@H](C)O[N-]C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000846545345 681258044 /nfs/dbraw/zinc/25/80/44/681258044.db2.gz VYEVJAXXNBXXJJ-WDEREUQCSA-N -1 1 353.216 2.424 20 30 FEEDMM C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000949361942 681634724 /nfs/dbraw/zinc/63/47/24/681634724.db2.gz NIKAAIRJYHGHTK-ZYHUDNBSSA-N -1 1 351.834 2.143 20 30 FEEDMM Cc1cc(Br)cc2c1C(=NNc1nc3[nH][n-]cc-3c(=O)n1)CC2 ZINC000782227996 682019724 /nfs/dbraw/zinc/01/97/24/682019724.db2.gz BJGSZCRFPSKEQU-UHFFFAOYSA-N -1 1 373.214 2.265 20 30 FEEDMM C#C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C1CCOCC1 ZINC000852639924 682312152 /nfs/dbraw/zinc/31/21/52/682312152.db2.gz RPFLJMOEYYGPIR-AWEZNQCLSA-N -1 1 367.243 2.382 20 30 FEEDMM Cn1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000793127945 682866087 /nfs/dbraw/zinc/86/60/87/682866087.db2.gz ZUNOPTMHQCECSP-JTQLQIEISA-N -1 1 351.338 2.091 20 30 FEEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)cc2-n2cncn2)c(=O)o1 ZINC000794926694 683004556 /nfs/dbraw/zinc/00/45/56/683004556.db2.gz MKFRMWQWHQFUQF-LLCTXKFZSA-N -1 1 357.753 2.149 20 30 FEEDMM Cc1noc(C2CCC(=NN=C3[N-]S(=O)(=O)c4ccccc43)CC2)n1 ZINC000797401741 683247202 /nfs/dbraw/zinc/24/72/02/683247202.db2.gz MICXNINCAISHND-UHFFFAOYSA-N -1 1 359.411 2.130 20 30 FEEDMM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000798486300 683357800 /nfs/dbraw/zinc/35/78/00/683357800.db2.gz HAJCVJMKRKRCJW-SECBINFHSA-N -1 1 355.765 2.411 20 30 FEEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)C(=O)OCC ZINC000867588950 684323342 /nfs/dbraw/zinc/32/33/42/684323342.db2.gz KJSBPAUWKLWIOS-MNOVXSKESA-N -1 1 359.822 2.416 20 30 FEEDMM C=CCn1c(CC(C)C)nnc1N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871055251 684782960 /nfs/dbraw/zinc/78/29/60/684782960.db2.gz AXCYIEJCPOAPSD-HNNXBMFYSA-N -1 1 359.396 2.310 20 30 FEEDMM C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871087331 684785642 /nfs/dbraw/zinc/78/56/42/684785642.db2.gz CBMJGNWRKJTVIX-OAHLLOKOSA-N -1 1 357.380 2.379 20 30 FEEDMM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000872003692 684911460 /nfs/dbraw/zinc/91/14/60/684911460.db2.gz TXZWHSIMSZWOMD-SKDRFNHKSA-N -1 1 350.366 2.190 20 30 FEEDMM COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)CCS2 ZINC000890601566 688942985 /nfs/dbraw/zinc/94/29/85/688942985.db2.gz WNPSWFMYBVELTM-TXKKKEFDSA-N -1 1 360.435 2.211 20 30 FEEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c1 ZINC000901774157 690693140 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N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)cc1[O-] ZINC000189068560 328126797 /nfs/dbraw/zinc/12/67/97/328126797.db2.gz YPISFRNBTBVTCF-OAHLLOKOSA-N -1 1 353.353 2.328 20 30 FEEDMM N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc1[O-] ZINC000190073041 328185935 /nfs/dbraw/zinc/18/59/35/328185935.db2.gz LRDFKQFPCXXFJB-SFHVURJKSA-N -1 1 351.406 2.067 20 30 FEEDMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)c([O-])c3)cn2)C[C@H](C)O1 ZINC000190574422 328217211 /nfs/dbraw/zinc/21/72/11/328217211.db2.gz DBEFTLDSLFTPBT-OKILXGFUSA-N -1 1 366.421 2.202 20 30 FEEDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CO2 ZINC000126747805 326494387 /nfs/dbraw/zinc/49/43/87/326494387.db2.gz ULTJVNMNXQZFKP-CYBMUJFWSA-N -1 1 359.363 2.187 20 30 FEEDMM N#Cc1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000264152965 328995527 /nfs/dbraw/zinc/99/55/27/328995527.db2.gz QYZOTPDSZMYHIG-UHFFFAOYSA-N -1 1 368.349 2.251 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c(F)c1 ZINC000158024490 545812990 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Cc1cc([O-])c(C(=O)C=Cc2c(Cl)n(C)nc2C(F)(F)F)c(=O)o1 ZINC000273511654 550501321 /nfs/dbraw/zinc/50/13/21/550501321.db2.gz UPFRMRMTHGURAQ-HMDXOVGESA-N -1 1 362.691 2.321 20 30 FEEDMM N#C[C@@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CCN1Cc1ccccc1 ZINC000276645758 550581101 /nfs/dbraw/zinc/58/11/01/550581101.db2.gz VVTJAYAAHXZZRX-CQSZACIVSA-N -1 1 355.369 2.087 20 30 FEEDMM Cc1cc(C#N)ccc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281692121 551131354 /nfs/dbraw/zinc/13/13/54/551131354.db2.gz LKMBBXMFVOLFTC-UHFFFAOYSA-N -1 1 353.344 2.397 20 30 FEEDMM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)cc1OC ZINC000286993579 551949542 /nfs/dbraw/zinc/94/95/42/551949542.db2.gz SZNMHPAVZPJWSI-LLVKDONJSA-N -1 1 350.396 2.078 20 30 FEEDMM C#CCOc1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000290393760 552472393 /nfs/dbraw/zinc/47/23/93/552472393.db2.gz PCSTWKZFPGMWCD-ZDUSSCGKSA-N -1 1 368.355 2.229 20 30 FEEDMM N#Cc1cc2c(nc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)CCC2 ZINC000290783617 552537230 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/nfs/dbraw/zinc/59/12/92/555591292.db2.gz IGZILVYYIWSJIZ-UHFFFAOYSA-N -1 1 353.407 2.463 20 30 FEEDMM N#CCCCn1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c2ccccc21 ZINC000365596520 555618554 /nfs/dbraw/zinc/61/85/54/555618554.db2.gz YGUUIENLKQHXBM-AWEZNQCLSA-N -1 1 363.425 2.478 20 30 FEEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1[O-] ZINC000514847364 561982915 /nfs/dbraw/zinc/98/29/15/561982915.db2.gz VTODKSNBTMKCQO-GOSISDBHSA-N -1 1 363.417 2.227 20 30 FEEDMM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3nc4ccccc4c(=O)[n-]3)n2)c1 ZINC000368057133 556206383 /nfs/dbraw/zinc/20/63/83/556206383.db2.gz BTFNPLRDKWBKAO-UHFFFAOYSA-N -1 1 370.372 2.115 20 30 FEEDMM C=CCOCCCC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368503178 556328582 /nfs/dbraw/zinc/32/85/82/556328582.db2.gz PNNMXFLRSIEXCY-AWEZNQCLSA-N -1 1 353.785 2.181 20 30 FEEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000518293369 562108041 /nfs/dbraw/zinc/10/80/41/562108041.db2.gz WASXRJSJHDORHD-UHFFFAOYSA-N -1 1 369.402 2.172 20 30 FEEDMM CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000374823436 557936682 /nfs/dbraw/zinc/93/66/82/557936682.db2.gz UXMULSWBALEHKP-HNNXBMFYSA-N -1 1 359.455 2.032 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3Cl)C2)o1 ZINC000376246737 558147544 /nfs/dbraw/zinc/14/75/44/558147544.db2.gz GPXIANOLIWCXQQ-LLVKDONJSA-N -1 1 351.815 2.362 20 30 FEEDMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000376601105 558196101 /nfs/dbraw/zinc/19/61/01/558196101.db2.gz XVLOMGJCMSNRSC-UHFFFAOYSA-N -1 1 374.813 2.297 20 30 FEEDMM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000377382603 558330217 /nfs/dbraw/zinc/33/02/17/558330217.db2.gz LVJNCNNXTFAWAI-QLJPJBMISA-N -1 1 359.363 2.267 20 30 FEEDMM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000377382600 558330256 /nfs/dbraw/zinc/33/02/56/558330256.db2.gz LVJNCNNXTFAWAI-QFYYESIMSA-N -1 1 359.363 2.267 20 30 FEEDMM N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)on2)c1 ZINC000425309337 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CC(C)[C@H](CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1 ZINC000735711204 598698493 /nfs/dbraw/zinc/69/84/93/598698493.db2.gz WQNGFAZCIAEPCJ-LBPRGKRZSA-N -1 1 350.386 2.230 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)cc1Cl ZINC000808120139 674442229 /nfs/dbraw/zinc/44/22/29/674442229.db2.gz DPKARRQOEPXOGB-UHFFFAOYSA-N -1 1 364.810 2.230 20 30 FEEDMM CCOc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821422309 599331755 /nfs/dbraw/zinc/33/17/55/599331755.db2.gz SWMOHXNNIPOLCX-UHFFFAOYSA-N -1 1 357.399 2.179 20 30 FEEDMM CCOc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821422309 599331756 /nfs/dbraw/zinc/33/17/56/599331756.db2.gz SWMOHXNNIPOLCX-UHFFFAOYSA-N -1 1 357.399 2.179 20 30 FEEDMM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2ccc(-c3nnn[n-]3)o2)C1=O ZINC000821049977 599334063 /nfs/dbraw/zinc/33/40/63/599334063.db2.gz ORNZATPLHMUWBD-QGZVFWFLSA-N -1 1 373.417 2.465 20 30 FEEDMM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2ccc(-c3nn[n-]n3)o2)C1=O ZINC000821049977 599334066 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CCOC(=O)[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)Cc1ccccc1 ZINC000191131078 328251154 /nfs/dbraw/zinc/25/11/54/328251154.db2.gz ROGSGMHIMHRNEC-QGZVFWFLSA-N -1 1 352.390 2.416 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)c2c(Cl)cccc2Cl)o1 ZINC000805014884 674312870 /nfs/dbraw/zinc/31/28/70/674312870.db2.gz ODHZGKNMWOFIDS-NSHDSACASA-N -1 1 361.206 2.470 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)c2c(Cl)cccc2Cl)o1 ZINC000805014883 674312964 /nfs/dbraw/zinc/31/29/64/674312964.db2.gz ODHZGKNMWOFIDS-LLVKDONJSA-N -1 1 361.206 2.470 20 30 FEEDMM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000805070188 674316681 /nfs/dbraw/zinc/31/66/81/674316681.db2.gz GSJORHXHJRMXEH-DGCLKSJQSA-N -1 1 369.443 2.075 20 30 FEEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)ccc21 ZINC000555135905 674349398 /nfs/dbraw/zinc/34/93/98/674349398.db2.gz PRDYPNAQAXEYIT-UHFFFAOYSA-N -1 1 359.382 2.407 20 30 FEEDMM N#C[C@H](C(=O)NCC(F)(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155664217 545556084 /nfs/dbraw/zinc/55/60/84/545556084.db2.gz SNFHXFIQSLEEIU-QMMMGPOBSA-N -1 1 370.356 2.149 20 30 FEEDMM CC(C)[C@@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1nc(-c2cccnc2)no1 ZINC000165116317 546152409 /nfs/dbraw/zinc/15/24/09/546152409.db2.gz LVVFDRMGPGWTCZ-CYBMUJFWSA-N -1 1 361.427 2.052 20 30 FEEDMM COC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000479141503 561182469 /nfs/dbraw/zinc/18/24/69/561182469.db2.gz ONPIXMDDMDVZMV-NSHDSACASA-N -1 1 356.753 2.457 20 30 FEEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000185632851 548012248 /nfs/dbraw/zinc/01/22/48/548012248.db2.gz DXSPOOMMZUJOAK-UHFFFAOYSA-N -1 1 355.379 2.153 20 30 FEEDMM C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000192128868 548359135 /nfs/dbraw/zinc/35/91/35/548359135.db2.gz WVZPSBVRIYRLLQ-LBPRGKRZSA-N -1 1 350.421 2.173 20 30 FEEDMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000193358356 548385794 /nfs/dbraw/zinc/38/57/94/548385794.db2.gz DLDWJCGHVWBILG-UHFFFAOYSA-N -1 1 364.448 2.347 20 30 FEEDMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193362099 548386488 /nfs/dbraw/zinc/38/64/88/548386488.db2.gz VJLSVNMHOSTHKP-UHFFFAOYSA-N -1 1 364.448 2.098 20 30 FEEDMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2)C[C@H](C)O1 ZINC000279103312 550854119 /nfs/dbraw/zinc/85/41/19/550854119.db2.gz PWTRXRQNFBLUBF-OKILXGFUSA-N -1 1 372.450 2.368 20 30 FEEDMM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1/N=C/c1ccc(O)c([O-])c1O ZINC000280977688 551051229 /nfs/dbraw/zinc/05/12/29/551051229.db2.gz JVWKLHDJMFGAPJ-OVEPSTSESA-N -1 1 356.378 2.472 20 30 FEEDMM Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290408975 552475090 /nfs/dbraw/zinc/47/50/90/552475090.db2.gz QOYKPVRFMJNNBI-CYBMUJFWSA-N -1 1 353.344 2.397 20 30 FEEDMM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293293404 552808269 /nfs/dbraw/zinc/80/82/69/552808269.db2.gz ZCRCAIZCXBUZFZ-CYBMUJFWSA-N -1 1 371.384 2.352 20 30 FEEDMM C=CCOc1ccc(CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000296005159 553087842 /nfs/dbraw/zinc/08/78/42/553087842.db2.gz XZGPXPCZPRMIEB-UHFFFAOYSA-N -1 1 366.421 2.063 20 30 FEEDMM C=CCC[C@@H](CO)NC(=O)c1ccc(I)c([O-])c1 ZINC000320250903 553764794 /nfs/dbraw/zinc/76/47/94/553764794.db2.gz IDPCMOYNMJAIDO-JTQLQIEISA-N -1 1 361.179 2.054 20 30 FEEDMM CC[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000506830402 561709699 /nfs/dbraw/zinc/70/96/99/561709699.db2.gz MYCLEHBGDIBNSU-QMMMGPOBSA-N -1 1 351.211 2.360 20 30 FEEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000331045223 554205785 /nfs/dbraw/zinc/20/57/85/554205785.db2.gz FLRFNLVYQXHBPX-UHFFFAOYSA-N -1 1 369.487 2.449 20 30 FEEDMM COCC(=O)N1CCC(NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000331231191 554234101 /nfs/dbraw/zinc/23/41/01/554234101.db2.gz HYWIVUQXKRKWLM-UHFFFAOYSA-N -1 1 371.231 2.097 20 30 FEEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3ccc(C#N)cc32)o1 ZINC000331580645 554289314 /nfs/dbraw/zinc/28/93/14/554289314.db2.gz LNPVVYXBACQFEX-UHFFFAOYSA-N -1 1 373.434 2.431 20 30 FEEDMM C[C@@H](Sc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1)C(=O)[O-] ZINC000515050113 561993898 /nfs/dbraw/zinc/99/38/98/561993898.db2.gz CKQTXRNWDBLXJY-SNVBAGLBSA-N -1 1 363.420 2.319 20 30 FEEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2cnc(C#N)n2)ccc1F ZINC000368170908 556236710 /nfs/dbraw/zinc/23/67/10/556236710.db2.gz KMQLBRPYAMCDFK-UHFFFAOYSA-N -1 1 357.370 2.387 20 30 FEEDMM Cc1oc(C#N)cc1C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000369076254 556498102 /nfs/dbraw/zinc/49/81/02/556498102.db2.gz JTASGGTVWYFVNO-CYBMUJFWSA-N -1 1 360.736 2.285 20 30 FEEDMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000369817058 556703706 /nfs/dbraw/zinc/70/37/06/556703706.db2.gz JGQINVOQPPNQRU-HUUCEWRRSA-N -1 1 373.434 2.100 20 30 FEEDMM O=C(NCc1c(F)cc(F)c(F)c1F)[C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000369875738 556718839 /nfs/dbraw/zinc/71/88/39/556718839.db2.gz WNQFQJGBVJNYJE-ANLVUFKYSA-N -1 1 372.240 2.316 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)o1 ZINC000376351110 558161679 /nfs/dbraw/zinc/16/16/79/558161679.db2.gz MMGLHPPBURGQAU-JKSUJKDBSA-N -1 1 354.391 2.171 20 30 FEEDMM C=CCNC(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000391648772 558614627 /nfs/dbraw/zinc/61/46/27/558614627.db2.gz DDLGJCYHRAWFFP-UHFFFAOYSA-N -1 1 366.420 2.163 20 30 FEEDMM N#Cc1cc(F)cc(C2(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)CC2)c1 ZINC000425319904 559696356 /nfs/dbraw/zinc/69/63/56/559696356.db2.gz KIPJLBLKQSZYND-UHFFFAOYSA-N -1 1 356.357 2.224 20 30 FEEDMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc2[nH]1 ZINC000427329479 559753467 /nfs/dbraw/zinc/75/34/67/559753467.db2.gz HOGDOELYIGPPNF-UHFFFAOYSA-N -1 1 372.381 2.339 20 30 FEEDMM Cc1ncc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C#N ZINC000427343300 559753774 /nfs/dbraw/zinc/75/37/74/559753774.db2.gz AZLGTHMDYKXPBC-LLVKDONJSA-N -1 1 359.407 2.326 20 30 FEEDMM Cc1cc(N2CCNC2=O)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000442212006 560046125 /nfs/dbraw/zinc/04/61/25/560046125.db2.gz GPLOMPUKZREWPX-UHFFFAOYSA-N -1 1 356.407 2.197 20 30 FEEDMM N#Cc1ccc(C(=O)NCc2nc3cc(Br)cnc3[nH]2)cc1[O-] ZINC000443277753 560077640 /nfs/dbraw/zinc/07/76/40/560077640.db2.gz OVVDILDZWGWQQI-UHFFFAOYSA-N -1 1 372.182 2.228 20 30 FEEDMM COc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(F)c1 ZINC000443481330 560084965 /nfs/dbraw/zinc/08/49/65/560084965.db2.gz DQHZHOMVLLTYME-UHFFFAOYSA-N -1 1 365.342 2.093 20 30 FEEDMM CCN(CC)c1[nH]nc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1C#N ZINC000446763139 560151252 /nfs/dbraw/zinc/15/12/52/560151252.db2.gz UGRHXWYZIKWODJ-UHFFFAOYSA-N -1 1 369.397 2.348 20 30 FEEDMM CC[C@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)OC ZINC000451562768 560314993 /nfs/dbraw/zinc/31/49/93/560314993.db2.gz DGBSQTPHHUUVFL-SECBINFHSA-N -1 1 365.224 2.163 20 30 FEEDMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000463527380 560818102 /nfs/dbraw/zinc/81/81/02/560818102.db2.gz OTXRKDXXNFGFPA-UHFFFAOYSA-N -1 1 362.363 2.074 20 30 FEEDMM CC(=CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1Cl ZINC000735446810 598470990 /nfs/dbraw/zinc/47/09/90/598470990.db2.gz GJRUCYBDHJTSOW-SOFGYWHQSA-N -1 1 354.761 2.157 20 30 FEEDMM N#Cc1ccc(OCCn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000737721158 598502776 /nfs/dbraw/zinc/50/27/76/598502776.db2.gz HMFDTNFRNFKRBM-UHFFFAOYSA-N -1 1 358.361 2.132 20 30 FEEDMM C=CCC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000819734354 607390266 /nfs/dbraw/zinc/39/02/66/607390266.db2.gz MUXMQAXOOYKJHC-OAHLLOKOSA-N -1 1 370.438 2.248 20 30 FEEDMM C=CCC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000819734354 607390268 /nfs/dbraw/zinc/39/02/68/607390268.db2.gz MUXMQAXOOYKJHC-OAHLLOKOSA-N -1 1 370.438 2.248 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cn1 ZINC000739129858 600104280 /nfs/dbraw/zinc/10/42/80/600104280.db2.gz HXEGWBXKGJWRHJ-UHFFFAOYSA-N -1 1 372.406 2.052 20 30 FEEDMM C=CCC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000819733845 607423537 /nfs/dbraw/zinc/42/35/37/607423537.db2.gz CKFCLWJFYLKKIB-AWEZNQCLSA-N -1 1 352.402 2.429 20 30 FEEDMM C=CCC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000819733845 607423539 /nfs/dbraw/zinc/42/35/39/607423539.db2.gz CKFCLWJFYLKKIB-AWEZNQCLSA-N -1 1 352.402 2.429 20 30 FEEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000736089705 600900380 /nfs/dbraw/zinc/90/03/80/600900380.db2.gz OXIIIAQFPJFUGT-UHFFFAOYSA-N -1 1 365.338 2.042 20 30 FEEDMM Cc1cc[nH]c2nc([C@H](C#N)C(=O)c3ccc(OCC(=O)[O-])cc3)nc1-2 ZINC000832984265 601143019 /nfs/dbraw/zinc/14/30/19/601143019.db2.gz NMIWJEVLMDFPQX-CYBMUJFWSA-N -1 1 350.334 2.220 20 30 FEEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(F)c1 ZINC000614314379 601976483 /nfs/dbraw/zinc/97/64/83/601976483.db2.gz DVZQARLGLUGACM-NSHDSACASA-N -1 1 372.374 2.392 20 30 FEEDMM C[C@H](NC(=O)[O-])C1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000739028792 602448504 /nfs/dbraw/zinc/44/85/04/602448504.db2.gz QYQZWRJAGRCTEZ-GUYCJALGSA-N -1 1 356.426 2.032 20 30 FEEDMM O=S(=O)(OCC(F)(F)C(F)F)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826493599 607574533 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FEEDMM N#Cc1cccnc1NCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822842292 606461354 /nfs/dbraw/zinc/46/13/54/606461354.db2.gz APCAGHGHOZXQER-UHFFFAOYSA-N -1 1 357.381 2.206 20 30 FEEDMM CN(C(=O)COc1cccc(F)c1-c1nnn[n-]1)C1(C#N)CCCCC1 ZINC000825820433 607865104 /nfs/dbraw/zinc/86/51/04/607865104.db2.gz FFMCTHIOOKBAIM-UHFFFAOYSA-N -1 1 358.377 2.069 20 30 FEEDMM CN(C(=O)COc1cccc(F)c1-c1nn[n-]n1)C1(C#N)CCCCC1 ZINC000825820433 607865105 /nfs/dbraw/zinc/86/51/05/607865105.db2.gz FFMCTHIOOKBAIM-UHFFFAOYSA-N -1 1 358.377 2.069 20 30 FEEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc3c[nH]nc3c2)o1 ZINC000824141635 607887352 /nfs/dbraw/zinc/88/73/52/607887352.db2.gz LIIDJUFUOHYTGW-UHFFFAOYSA-N -1 1 351.374 2.475 20 30 FEEDMM N#Cc1cccc(N[C@H]2CC[C@H](Nc3cccc(-c4nnn[n-]4)n3)CC2)n1 ZINC000826387002 607903266 /nfs/dbraw/zinc/90/32/66/607903266.db2.gz BQMUZRHNOHKJJA-JOCQHMNTSA-N -1 1 361.413 2.364 20 30 FEEDMM N#Cc1cccc(N[C@H]2CC[C@H](Nc3cccc(-c4nn[n-]n4)n3)CC2)n1 ZINC000826387002 607903267 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/nfs/dbraw/zinc/41/42/57/561414257.db2.gz ZRRYKGVTMPQNGH-SECBINFHSA-N -1 1 352.391 2.417 20 30 FEEDMM N#CCN1CCC[C@H](CNC(=O)c2cc(Br)ccc2[O-])C1 ZINC000267080885 550027127 /nfs/dbraw/zinc/02/71/27/550027127.db2.gz JHSQWYJAACTSMR-LLVKDONJSA-N -1 1 352.232 2.120 20 30 FEEDMM N#CCN1CCC[C@@H](CNC(=O)c2ccc(Br)cc2[O-])C1 ZINC000267093688 550027626 /nfs/dbraw/zinc/02/76/26/550027626.db2.gz MJMPLKIIJOHRTA-NSHDSACASA-N -1 1 352.232 2.120 20 30 FEEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(OC)c1 ZINC000493254605 561455095 /nfs/dbraw/zinc/45/50/95/561455095.db2.gz LAPLCMITZQMLDG-UHFFFAOYSA-N -1 1 364.354 2.293 20 30 FEEDMM C=CCN1CC[C@@H](N(C)C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1=O ZINC000282812020 551273150 /nfs/dbraw/zinc/27/31/50/551273150.db2.gz OKASJUSFPBDELC-CQSZACIVSA-N -1 1 359.813 2.453 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCOCC2)o1 ZINC000286886049 551936558 /nfs/dbraw/zinc/93/65/58/551936558.db2.gz NFRUDPLSWSIAOI-UHFFFAOYSA-N -1 1 350.371 2.275 20 30 FEEDMM COCCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000289188953 552279788 /nfs/dbraw/zinc/27/97/88/552279788.db2.gz QJIXUWOMCJGJLQ-UHFFFAOYSA-N -1 1 365.224 2.165 20 30 FEEDMM C[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000289370309 552309505 /nfs/dbraw/zinc/30/95/05/552309505.db2.gz BEBFJDGDBGYCEA-LLVKDONJSA-N -1 1 361.427 2.423 20 30 FEEDMM N#Cc1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289488042 552329571 /nfs/dbraw/zinc/32/95/71/552329571.db2.gz KRHBOZAQOPEVGP-GFCCVEGCSA-N -1 1 354.332 2.481 20 30 FEEDMM C[C@H](CC#N)N(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290466364 552483570 /nfs/dbraw/zinc/48/35/70/552483570.db2.gz UMWLJNWZTQKEME-SECBINFHSA-N -1 1 364.254 2.032 20 30 FEEDMM C=CCSCCNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000291964019 552679545 /nfs/dbraw/zinc/67/95/45/552679545.db2.gz VMAXWPWCNCZMAC-GHMZBOCLSA-N -1 1 353.410 2.147 20 30 FEEDMM Cc1nnsc1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000291994718 552682437 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FEEDMM COc1ccccc1N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000367739786 556126966 /nfs/dbraw/zinc/12/69/66/556126966.db2.gz MTPBGRWCHLVZIQ-CYBMUJFWSA-N -1 1 361.423 2.107 20 30 FEEDMM C=CCCO[C@H](C)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368503343 556328628 /nfs/dbraw/zinc/32/86/28/556328628.db2.gz QAAFIEQOSRLHKY-RNCFNFMXSA-N -1 1 353.785 2.179 20 30 FEEDMM Cc1noc([C@H]([N-]S(=O)(=O)Cc2cccc(C#N)c2)c2ccccc2)n1 ZINC000369110149 556507658 /nfs/dbraw/zinc/50/76/58/556507658.db2.gz HKDCLZSINJGXRO-QGZVFWFLSA-N -1 1 368.418 2.459 20 30 FEEDMM Cc1ncc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])cc1C#N ZINC000521335750 562174533 /nfs/dbraw/zinc/17/45/33/562174533.db2.gz WEIITGZSTZVGRL-UHFFFAOYSA-N -1 1 359.407 2.470 20 30 FEEDMM C#CCCS(=O)(=O)[N-][C@H](c1noc(C)n1)c1ccc(Cl)c(F)c1 ZINC000377296794 558309136 /nfs/dbraw/zinc/30/91/36/558309136.db2.gz OQTILWVAWDSWET-ZDUSSCGKSA-N -1 1 357.794 2.203 20 30 FEEDMM Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C#N ZINC000391811684 558615129 /nfs/dbraw/zinc/61/51/29/558615129.db2.gz JYKSYRXDJDVROM-UHFFFAOYSA-N -1 1 351.771 2.414 20 30 FEEDMM CCOC(=O)[C@@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)[C@H](C)C#N ZINC000416468200 559315401 /nfs/dbraw/zinc/31/54/01/559315401.db2.gz XWEUAXYRKKFQJA-CXAGYDPISA-N -1 1 360.435 2.145 20 30 FEEDMM Cc1cnc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c([O-])c1 ZINC000427118490 559748317 /nfs/dbraw/zinc/74/83/17/559748317.db2.gz XZKXZCODYZVNCU-UHFFFAOYSA-N -1 1 364.405 2.458 20 30 FEEDMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ccccc3C#N)n2)cc1 ZINC000429895358 559808118 /nfs/dbraw/zinc/80/81/18/559808118.db2.gz ALYZPUGOQMTWNF-UHFFFAOYSA-N -1 1 354.391 2.326 20 30 FEEDMM COc1ccc(-c2nc(S(=O)(=O)Cc3ccccc3C#N)n[n-]2)cc1 ZINC000429895358 559808119 /nfs/dbraw/zinc/80/81/19/559808119.db2.gz ALYZPUGOQMTWNF-UHFFFAOYSA-N -1 1 354.391 2.326 20 30 FEEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)ccc1C#N ZINC000435747579 559929351 /nfs/dbraw/zinc/92/93/51/559929351.db2.gz JQONZMPPXIRJJR-UHFFFAOYSA-N -1 1 357.435 2.298 20 30 FEEDMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@H](C)C#N)c([O-])c2)c1 ZINC000436539341 559944898 /nfs/dbraw/zinc/94/48/98/559944898.db2.gz OBPOPYASMMHZDJ-LLVKDONJSA-N -1 1 369.377 2.304 20 30 FEEDMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000436708858 559949662 /nfs/dbraw/zinc/94/96/62/559949662.db2.gz WBASQBNSYMCXGD-UHFFFAOYSA-N -1 1 350.327 2.210 20 30 FEEDMM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ccc(C#N)c([O-])c3)C2)c1 ZINC000443294325 560078371 /nfs/dbraw/zinc/07/83/71/560078371.db2.gz ZFISLKJSBGIUSV-OAHLLOKOSA-N -1 1 367.405 2.290 20 30 FEEDMM CSc1nnc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000445704558 560134020 /nfs/dbraw/zinc/13/40/20/560134020.db2.gz KAIBSIADFWIPPV-UHFFFAOYSA-N -1 1 360.873 2.264 20 30 FEEDMM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1n1cccn1 ZINC000456622068 560526132 /nfs/dbraw/zinc/52/61/32/560526132.db2.gz BGUACQYCYHNLBF-OIISXLGYSA-N -1 1 354.410 2.387 20 30 FEEDMM Cc1sc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1CS(C)(=O)=O ZINC000473174641 561043547 /nfs/dbraw/zinc/04/35/47/561043547.db2.gz YNNKVUKZMLYHHX-CYBMUJFWSA-N -1 1 363.464 2.498 20 30 FEEDMM CC(C)(NC(=O)c1cccc(COc2ccccc2C#N)c1)c1nn[n-]n1 ZINC000475009400 561087601 /nfs/dbraw/zinc/08/76/01/561087601.db2.gz YXMONXBOTIUSKM-UHFFFAOYSA-N -1 1 362.393 2.315 20 30 FEEDMM CC(C)(NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1nn[n-]n1 ZINC000475004809 561087659 /nfs/dbraw/zinc/08/76/59/561087659.db2.gz YGYUFYDAENTKEO-UHFFFAOYSA-N -1 1 362.393 2.315 20 30 FEEDMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000475529519 561099404 /nfs/dbraw/zinc/09/94/04/561099404.db2.gz ILPNDPHCSWZDOZ-INIZCTEOSA-N -1 1 364.467 2.164 20 30 FEEDMM Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475801147 561105738 /nfs/dbraw/zinc/10/57/38/561105738.db2.gz XISJAVIWRWCWPZ-UHFFFAOYSA-N -1 1 353.407 2.349 20 30 FEEDMM CN(C)C(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475809832 561105920 /nfs/dbraw/zinc/10/59/20/561105920.db2.gz OFADJFUJECZWDD-UHFFFAOYSA-N -1 1 373.434 2.020 20 30 FEEDMM CN(C)C(=O)COc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475811661 561106087 /nfs/dbraw/zinc/10/60/87/561106087.db2.gz YHEGKITVKXBLHE-UHFFFAOYSA-N -1 1 373.434 2.020 20 30 FEEDMM N#Cc1ccc(C2(NC(=O)C(=O)c3ccc([O-])cc3)CCOCC2)cc1 ZINC000530060188 562396436 /nfs/dbraw/zinc/39/64/36/562396436.db2.gz JDFSEDJGWMBDCI-UHFFFAOYSA-N -1 1 350.374 2.269 20 30 FEEDMM O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000533802899 562518476 /nfs/dbraw/zinc/51/84/76/562518476.db2.gz QPBKOVAXMBFOLL-ZETCQYMHSA-N -1 1 369.258 2.436 20 30 FEEDMM COc1ccc(-c2nnc(S(=O)(=O)CCC(C)(C)C#N)[n-]2)c(OC)c1 ZINC000556066456 674386778 /nfs/dbraw/zinc/38/67/78/674386778.db2.gz HOFJGKRFFCBLQQ-UHFFFAOYSA-N -1 1 364.427 2.202 20 30 FEEDMM COc1ccc(-c2nc(S(=O)(=O)CCC(C)(C)C#N)n[n-]2)c(OC)c1 ZINC000556066456 674386779 /nfs/dbraw/zinc/38/67/79/674386779.db2.gz HOFJGKRFFCBLQQ-UHFFFAOYSA-N -1 1 364.427 2.202 20 30 FEEDMM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738178937 598987435 /nfs/dbraw/zinc/98/74/35/598987435.db2.gz NUBCFSQDLZAFAE-UHFFFAOYSA-N -1 1 367.372 2.309 20 30 FEEDMM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738178937 598987438 /nfs/dbraw/zinc/98/74/38/598987438.db2.gz NUBCFSQDLZAFAE-UHFFFAOYSA-N -1 1 367.372 2.309 20 30 FEEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2nccn2CC(F)(F)F)o1 ZINC000735938548 598496380 /nfs/dbraw/zinc/49/63/80/598496380.db2.gz AHLZAIOVTZXBAH-UHFFFAOYSA-N -1 1 369.311 2.183 20 30 FEEDMM N#Cc1[n-]c(NC(=O)CCCCCc2cccs2)nc1-c1nn[nH]n1 ZINC000737705955 598568741 /nfs/dbraw/zinc/56/87/41/598568741.db2.gz RUAWPUYMDLFDAL-UHFFFAOYSA-N -1 1 356.415 2.265 20 30 FEEDMM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735426791 598686441 /nfs/dbraw/zinc/68/64/41/598686441.db2.gz WYJWNNJMYWGGEF-UHFFFAOYSA-N -1 1 359.386 2.387 20 30 FEEDMM Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c1C#N ZINC000738253361 600364829 /nfs/dbraw/zinc/36/48/29/600364829.db2.gz OVTUUJVDVLAMMH-LBPRGKRZSA-N -1 1 372.425 2.209 20 30 FEEDMM C=CCN1C(=O)N=NC1S[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000825711035 601862975 /nfs/dbraw/zinc/86/29/75/601862975.db2.gz MFOFTLYWJWYQGD-VIFPVBQESA-N -1 1 350.400 2.176 20 30 FEEDMM N#Cc1cccc(CNC(=O)CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])c1 ZINC000740320763 601927022 /nfs/dbraw/zinc/92/70/22/601927022.db2.gz ZMLJQDBBUDUERX-QZTJIDSGSA-N -1 1 370.453 2.171 20 30 FEEDMM CCN(Cc1ccccc1NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-] ZINC000739443863 602653878 /nfs/dbraw/zinc/65/38/78/602653878.db2.gz FPQHHWJVXDYBEK-UHFFFAOYSA-N -1 1 360.395 2.254 20 30 FEEDMM CC(C)[C@@H](CCN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O)NC(=O)[O-] ZINC000824099284 603848160 /nfs/dbraw/zinc/84/81/60/603848160.db2.gz OMMJIEUDQWLUEZ-SJORKVTESA-N -1 1 358.442 2.278 20 30 FEEDMM CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000827460451 604221161 /nfs/dbraw/zinc/22/11/61/604221161.db2.gz SVWRZTRNSOYPAQ-GFCCVEGCSA-N -1 1 371.349 2.407 20 30 FEEDMM Cc1nc(C)n(C[C@@H]2CCCN(Cc3cccc(C(=O)[O-])c3C#N)C2)n1 ZINC000833755212 604608794 /nfs/dbraw/zinc/60/87/94/604608794.db2.gz DTJUPKWAXXTVJG-OAHLLOKOSA-N -1 1 353.426 2.377 20 30 FEEDMM C=C(C)CN(CC)C(=O)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833369147 604617228 /nfs/dbraw/zinc/61/72/28/604617228.db2.gz HFAYKZCTVSXOQD-OAQYLSRUSA-N -1 1 373.497 2.120 20 30 FEEDMM C#CCOc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC000833366754 605195654 /nfs/dbraw/zinc/19/56/54/605195654.db2.gz HUZPXAMTZDHQKD-GOSISDBHSA-N -1 1 353.374 2.401 20 30 FEEDMM Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833747602 605327812 /nfs/dbraw/zinc/32/78/12/605327812.db2.gz ZPZSINLUSOOOJS-UHFFFAOYSA-N -1 1 361.335 2.274 20 30 FEEDMM C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1 ZINC000833789188 605434061 /nfs/dbraw/zinc/43/40/61/605434061.db2.gz HFUGDSIWQOFGAC-JWZBEHFJSA-N -1 1 356.426 2.253 20 30 FEEDMM Cc1oc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(C#N)c1C ZINC000833934329 605877959 /nfs/dbraw/zinc/87/79/59/605877959.db2.gz 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606496798 /nfs/dbraw/zinc/49/67/98/606496798.db2.gz AVEPOIZOZRZRND-UHFFFAOYSA-N -1 1 354.395 2.096 20 30 FEEDMM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819750238 606496801 /nfs/dbraw/zinc/49/68/01/606496801.db2.gz AVEPOIZOZRZRND-UHFFFAOYSA-N -1 1 354.395 2.096 20 30 FEEDMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000819971047 606683815 /nfs/dbraw/zinc/68/38/15/606683815.db2.gz CHLGYICWNIBOOX-UHFFFAOYSA-N -1 1 372.339 2.220 20 30 FEEDMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000819971047 606683816 /nfs/dbraw/zinc/68/38/16/606683816.db2.gz CHLGYICWNIBOOX-UHFFFAOYSA-N -1 1 372.339 2.220 20 30 FEEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc3ccccn23)o1 ZINC000824280012 607886387 /nfs/dbraw/zinc/88/63/87/607886387.db2.gz AQPJGLBZMZXDFO-UHFFFAOYSA-N -1 1 351.374 2.147 20 30 FEEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc(N(C)C)s2)o1 ZINC000824280225 607886616 /nfs/dbraw/zinc/88/66/16/607886616.db2.gz HHWONPRINPQENG-UHFFFAOYSA-N -1 1 361.435 2.022 20 30 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COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619463474 676377812 /nfs/dbraw/zinc/37/78/12/676377812.db2.gz FVJMFDLQYQVXKY-UHFFFAOYSA-N -1 1 364.354 2.399 20 30 FEEDMM CCOC(=O)[C@@H]1CCC(=NN=C2[N-]S(=O)(=O)c3ccccc32)[C@H](C)C1 ZINC000761251211 680716847 /nfs/dbraw/zinc/71/68/47/680716847.db2.gz BDVJZRFXXTYOSS-VXGBXAGGSA-N -1 1 363.439 2.080 20 30 FEEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cnc(C2CC2)s1 ZINC000761818955 680732242 /nfs/dbraw/zinc/73/22/42/680732242.db2.gz UNMNJIKPXYWOAN-UHFFFAOYSA-N -1 1 352.397 2.241 20 30 FEEDMM O=C([N-]C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(F)(F)C(F)F ZINC000762366799 680748432 /nfs/dbraw/zinc/74/84/32/680748432.db2.gz BQWWQNKVTAEQSI-QMMMGPOBSA-N -1 1 363.229 2.462 20 30 FEEDMM C[C@H]1CC(=NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)NO1 ZINC000763261764 680777757 /nfs/dbraw/zinc/77/77/57/680777757.db2.gz UJLFIOJWCKIYCI-LBPRGKRZSA-N -1 1 359.407 2.340 20 30 FEEDMM Cc1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748248525 679945251 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O=S1(=O)[N-]C(=NN=Cc2cc(-c3ccccc3)n[nH]2)c2ccccc21 ZINC000767770499 680925596 /nfs/dbraw/zinc/92/55/96/680925596.db2.gz KJLNHYSPTJQHTJ-UHFFFAOYSA-N -1 1 351.391 2.149 20 30 FEEDMM [O-]c1c(F)cc(Cl)cc1CN=Nc1nccc(N2CCOCC2)n1 ZINC000768368213 680945211 /nfs/dbraw/zinc/94/52/11/680945211.db2.gz XYYZXRZFONTANZ-UHFFFAOYSA-N -1 1 351.769 2.257 20 30 FEEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844645439 681070417 /nfs/dbraw/zinc/07/04/17/681070417.db2.gz HIYPKOMLQLIIMB-UHFFFAOYSA-N -1 1 366.411 2.364 20 30 FEEDMM CSc1nc(C)c(CCC(=O)OCC2(C#N)CCOCC2)c(=O)[n-]1 ZINC000780547105 681841311 /nfs/dbraw/zinc/84/13/11/681841311.db2.gz WSCAKLLNEJJRRY-UHFFFAOYSA-N -1 1 351.428 2.009 20 30 FEEDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)C1CCCCC1 ZINC000914240761 685500461 /nfs/dbraw/zinc/50/04/61/685500461.db2.gz STWBCZNTQCNDED-AWEZNQCLSA-N -1 1 356.469 2.161 20 30 FEEDMM O=[N+]([O-])c1ccccc1/C=C\C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914600235 685508780 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FEEDMM Cn1c(C#N)ccc1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870163994 684689151 /nfs/dbraw/zinc/68/91/51/684689151.db2.gz KJNHNYYXNJTIOJ-UHFFFAOYSA-N -1 1 358.829 2.214 20 30 FEEDMM C#CC1(F)CN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000881942242 687266789 /nfs/dbraw/zinc/26/67/89/687266789.db2.gz QDTSAFFZWRZNRA-UHFFFAOYSA-N -1 1 360.263 2.300 20 30 FEEDMM C=CC[C@H]1CCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000890564755 688937358 /nfs/dbraw/zinc/93/73/58/688937358.db2.gz SXNBGWJRQKACOP-JTQLQIEISA-N -1 1 363.266 2.449 20 30 FEEDMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)ccc1F ZINC000901773269 690692937 /nfs/dbraw/zinc/69/29/37/690692937.db2.gz NXOQNISBAGUMGT-NSHDSACASA-N -1 1 368.308 2.125 20 30 FEEDMM C#C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)[C@@H]1CCCO1 ZINC000907489424 691500482 /nfs/dbraw/zinc/50/04/82/691500482.db2.gz YLJGAUQZKNJHAT-MNOVXSKESA-N -1 1 359.170 2.233 20 30 FEEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCCC1(C#N)CCOCC1 ZINC000800140958 674024622 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CCOc1ccc(N(CCC#N)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736644208 599029550 /nfs/dbraw/zinc/02/95/50/599029550.db2.gz HRHWAJBROFGTSH-UHFFFAOYSA-N -1 1 363.381 2.221 20 30 FEEDMM Cc1ncc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c(C)n1 ZINC000735451058 599066858 /nfs/dbraw/zinc/06/68/58/599066858.db2.gz NSBPFZNVYBNLRP-UHFFFAOYSA-N -1 1 355.406 2.296 20 30 FEEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2nc(-c3ccccc3)no2)o1 ZINC000735939838 598314394 /nfs/dbraw/zinc/31/43/94/598314394.db2.gz UPIWHYCSNDTKMI-UHFFFAOYSA-N -1 1 365.357 2.474 20 30 FEEDMM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735418591 598756691 /nfs/dbraw/zinc/75/66/91/598756691.db2.gz FUPDYYQHCINIMQ-UHFFFAOYSA-N -1 1 362.459 2.019 20 30 FEEDMM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735418591 598756693 /nfs/dbraw/zinc/75/66/93/598756693.db2.gz FUPDYYQHCINIMQ-UHFFFAOYSA-N -1 1 362.459 2.019 20 30 FEEDMM CCc1ccc([C@H](C)CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC000736684551 599604100 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/nfs/dbraw/zinc/74/29/14/552742914.db2.gz XNHSRHBQNHAZMV-LJQANCHMSA-N -1 1 351.410 2.294 20 30 FEEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCc2cc(C#N)ccc21 ZINC000297871389 553350768 /nfs/dbraw/zinc/35/07/68/553350768.db2.gz UICGBGVMEVUTTM-UHFFFAOYSA-N -1 1 361.405 2.033 20 30 FEEDMM CC(C)[C@](C)(C#N)NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000298270979 553406422 /nfs/dbraw/zinc/40/64/22/553406422.db2.gz IWCXWQLZAJNZMG-KRWDZBQOSA-N -1 1 364.471 2.211 20 30 FEEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC1(C#N)CCCCC1 ZINC000299671412 553601284 /nfs/dbraw/zinc/60/12/84/553601284.db2.gz NOPLBCXJCUFLKX-UHFFFAOYSA-N -1 1 351.410 2.438 20 30 FEEDMM N=c1nc(N2CCN(C(=O)N[C@@H]3CCCc4sccc43)CC2)s[n-]1 ZINC000329881234 554024138 /nfs/dbraw/zinc/02/41/38/554024138.db2.gz OFYMGDIPQLXEQI-LLVKDONJSA-N -1 1 364.500 2.295 20 30 FEEDMM CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000330476173 554126338 /nfs/dbraw/zinc/12/63/38/554126338.db2.gz HHINTPFPMZVYNZ-INIZCTEOSA-N -1 1 355.460 2.415 20 30 FEEDMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)co1 ZINC000330850153 554178945 /nfs/dbraw/zinc/17/89/45/554178945.db2.gz DQOPHIOVRZIANN-BDJLRTHQSA-N -1 1 358.460 2.070 20 30 FEEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CC#N)ccc1OC ZINC000509392637 561797485 /nfs/dbraw/zinc/79/74/85/561797485.db2.gz SABVCTMNDZGKAU-UHFFFAOYSA-N -1 1 360.391 2.349 20 30 FEEDMM C[C@H]1CCCN(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000332649323 554490449 /nfs/dbraw/zinc/49/04/49/554490449.db2.gz KWXDFVNXZWHMGQ-LBPRGKRZSA-N -1 1 363.418 2.272 20 30 FEEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000510799949 561846962 /nfs/dbraw/zinc/84/69/62/561846962.db2.gz VANHROGGXJYLGI-LBPRGKRZSA-N -1 1 370.434 2.407 20 30 FEEDMM N#Cc1ccccc1CSCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000512325011 561900457 /nfs/dbraw/zinc/90/04/57/561900457.db2.gz UAPWUFISPUUCKX-UHFFFAOYSA-N -1 1 358.379 2.230 20 30 FEEDMM N#Cc1ccc(OC2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)cc1 ZINC000375800148 558081693 /nfs/dbraw/zinc/08/16/93/558081693.db2.gz YNYOTWSVNQFBTR-UHFFFAOYSA-N -1 1 374.400 2.478 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2noc(C3CC3)n2)c2ccccc2)o1 ZINC000376288782 558152994 /nfs/dbraw/zinc/15/29/94/558152994.db2.gz IXDOTHOFHYQOIQ-OAHLLOKOSA-N -1 1 370.390 2.480 20 30 FEEDMM C=CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000376648639 558202961 /nfs/dbraw/zinc/20/29/61/558202961.db2.gz KLNRLPPZCNVBGF-YJBOKZPZSA-N -1 1 368.433 2.203 20 30 FEEDMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000393142085 558620283 /nfs/dbraw/zinc/62/02/83/558620283.db2.gz HSGAJQJYGSDVBA-UHFFFAOYSA-N -1 1 360.391 2.219 20 30 FEEDMM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000416642365 559327158 /nfs/dbraw/zinc/32/71/58/559327158.db2.gz ZVMQJIITFAAZMQ-CQSZACIVSA-N -1 1 363.439 2.052 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C3=NNC(=O)CC3)cc2)cc1F ZINC000427269278 559751783 /nfs/dbraw/zinc/75/17/83/559751783.db2.gz ILLZBODEOIYATF-UHFFFAOYSA-N -1 1 372.381 2.112 20 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O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738036970 598988665 /nfs/dbraw/zinc/98/86/65/598988665.db2.gz BLSDDQUQEIEEER-UHFFFAOYSA-N -1 1 372.310 2.062 20 30 FEEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3ncccc23)o1 ZINC000735850364 599127648 /nfs/dbraw/zinc/12/76/48/599127648.db2.gz COCNXQNGRZGNHO-UHFFFAOYSA-N -1 1 351.374 2.376 20 30 FEEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832152382 601327798 /nfs/dbraw/zinc/32/77/98/601327798.db2.gz BTTXFWRRWFSTOB-UITAMQMPSA-N -1 1 358.375 2.465 20 30 FEEDMM C[C@@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000827385375 601338150 /nfs/dbraw/zinc/33/81/50/601338150.db2.gz JDQAGLQMAVPGER-NSHDSACASA-N -1 1 366.874 2.389 20 30 FEEDMM N#Cc1cc(F)c(C(=O)Nc2nnc(CCCC(=O)[O-])s2)c(F)c1 ZINC000833068544 601681224 /nfs/dbraw/zinc/68/12/24/601681224.db2.gz BGNFTATYKKFQJL-UHFFFAOYSA-N -1 1 352.322 2.348 20 30 FEEDMM COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000832618206 601923959 /nfs/dbraw/zinc/92/39/59/601923959.db2.gz RBNZJCDUPVIISH-IFXJQAMLSA-N -1 1 359.426 2.127 20 30 FEEDMM COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000832618208 601923984 /nfs/dbraw/zinc/92/39/84/601923984.db2.gz RBNZJCDUPVIISH-LIRRHRJNSA-N -1 1 359.426 2.127 20 30 FEEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(F)c1 ZINC000760100024 601976457 /nfs/dbraw/zinc/97/64/57/601976457.db2.gz OKMYVTRQMIHULN-CQSZACIVSA-N -1 1 366.345 2.331 20 30 FEEDMM C[C@H](Oc1ccc(C=Nn2c(C(F)(F)F)n[nH]c2=S)cc1)C(=O)[O-] ZINC000794866128 602067958 /nfs/dbraw/zinc/06/79/58/602067958.db2.gz VXTXQNYYCGMWPB-ZETCQYMHSA-N -1 1 360.317 2.320 20 30 FEEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000809682211 674504788 /nfs/dbraw/zinc/50/47/88/674504788.db2.gz GZIRKDXPHIKQHB-UHFFFAOYSA-N -1 1 356.813 2.270 20 30 FEEDMM N#Cc1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826387249 607577739 /nfs/dbraw/zinc/57/77/39/607577739.db2.gz MDQJLHXATIEEQT-UHFFFAOYSA-N -1 1 361.770 2.159 20 30 FEEDMM CC(C)[C@H](CCN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1)NC(=O)[O-] ZINC000824099630 603854279 /nfs/dbraw/zinc/85/42/79/603854279.db2.gz QSHFISFZLDUIIW-CABCVRRESA-N -1 1 352.479 2.332 20 30 FEEDMM Cc1ccc(C#N)cc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826281525 607670582 /nfs/dbraw/zinc/67/05/82/607670582.db2.gz XBKOJGMNGPQVKH-UHFFFAOYSA-N -1 1 355.379 2.123 20 30 FEEDMM COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000829442172 604222110 /nfs/dbraw/zinc/22/21/10/604222110.db2.gz KLULRTUVHCEQJM-CYBMUJFWSA-N -1 1 357.322 2.017 20 30 FEEDMM N#Cc1ccc(-c2nnc(CN3C[C@@H]4CCC[C@H](NC(=O)[O-])[C@H]4C3)o2)cc1 ZINC000833973647 605430483 /nfs/dbraw/zinc/43/04/83/605430483.db2.gz BSNCRTHNDWTSSY-JYJNAYRXSA-N -1 1 367.409 2.476 20 30 FEEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)ccc1OC ZINC000564560453 675036578 /nfs/dbraw/zinc/03/65/78/675036578.db2.gz CWJUKRMBQUQFII-UHFFFAOYSA-N -1 1 364.354 2.293 20 30 FEEDMM N#Cc1cccnc1NCCNC(=O)c1ccc(Br)cc1[O-] ZINC000109359402 670840898 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Cc1cccc(-c2cncc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)c2)c1 ZINC000822284144 607192702 /nfs/dbraw/zinc/19/27/02/607192702.db2.gz KMRWWZKXPBUGMZ-UHFFFAOYSA-N -1 1 371.364 2.084 20 30 FEEDMM CC(=NNC(=S)NCc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953605 608091613 /nfs/dbraw/zinc/09/16/13/608091613.db2.gz IRYCWLLGGXFWPE-UHFFFAOYSA-N -1 1 357.468 2.317 20 30 FEEDMM Cc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)c(Br)n1 ZINC000811824223 674631489 /nfs/dbraw/zinc/63/14/89/674631489.db2.gz NPQGLQPRPRIXEG-UHFFFAOYSA-N -1 1 353.201 2.220 20 30 FEEDMM Cc1cc2c(cc1C)C(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CO2 ZINC000814864414 674884720 /nfs/dbraw/zinc/88/47/20/674884720.db2.gz DASVCKSJOSNBDF-UHFFFAOYSA-N -1 1 361.379 2.287 20 30 FEEDMM C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111667132 670860463 /nfs/dbraw/zinc/86/04/63/670860463.db2.gz YPQSRHIUBZNABX-UHFFFAOYSA-N -1 1 364.810 2.209 20 30 FEEDMM C#CCCCNC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817777020 675176487 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/nfs/dbraw/zinc/88/14/45/673881445.db2.gz PFOPTXNXFSCAPY-UHFFFAOYSA-N -1 1 363.395 2.452 20 30 FEEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c1 ZINC000619461607 676377537 /nfs/dbraw/zinc/37/75/37/676377537.db2.gz CUXMHYPKKZPTRV-UHFFFAOYSA-N -1 1 353.407 2.193 20 30 FEEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645692660 677268875 /nfs/dbraw/zinc/26/88/75/677268875.db2.gz KLIFXCDZTJLSTA-JQWIXIFHSA-N -1 1 350.362 2.360 20 30 FEEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645692662 677268959 /nfs/dbraw/zinc/26/89/59/677268959.db2.gz KLIFXCDZTJLSTA-ZYHUDNBSSA-N -1 1 350.362 2.360 20 30 FEEDMM COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1c[n-]nc1C ZINC000765233476 680836505 /nfs/dbraw/zinc/83/65/05/680836505.db2.gz OSEYNTRBPBCVLG-UHFFFAOYSA-N -1 1 372.200 2.129 20 30 FEEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)ccc1C#N ZINC000766547228 680880827 /nfs/dbraw/zinc/88/08/27/680880827.db2.gz KUYNCISPBTVSKF-UHFFFAOYSA-N -1 1 356.407 2.197 20 30 FEEDMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccccc2C(C)(C)C#N)o1 ZINC000768002509 680934989 /nfs/dbraw/zinc/93/49/89/680934989.db2.gz AYMCDTUNJUFFFH-UHFFFAOYSA-N -1 1 362.407 2.346 20 30 FEEDMM CN(C)C1(CS(=O)(=O)[N-]C(=O)C[C@@H](CC#N)c2ccccc2)CCC1 ZINC000843015427 680981994 /nfs/dbraw/zinc/98/19/94/680981994.db2.gz VPMLHXCMLXNQAX-MRXNPFEDSA-N -1 1 363.483 2.004 20 30 FEEDMM C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000843639402 681012942 /nfs/dbraw/zinc/01/29/42/681012942.db2.gz RDGNXGYALCTDJA-CQSZACIVSA-N -1 1 360.435 2.461 20 30 FEEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000770391050 681014712 /nfs/dbraw/zinc/01/47/12/681014712.db2.gz RPKIZRIMBYEADN-SNVBAGLBSA-N -1 1 361.217 2.438 20 30 FEEDMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1nc(C#N)c(Cl)s1 ZINC001050206106 681043459 /nfs/dbraw/zinc/04/34/59/681043459.db2.gz FZUFWPJUUWNLKR-BDAKNGLRSA-N -1 1 363.830 2.166 20 30 FEEDMM C#CCOCCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000771226684 681047742 /nfs/dbraw/zinc/04/77/42/681047742.db2.gz BMFMEZRCBCAJMN-UHFFFAOYSA-N -1 1 353.172 2.406 20 30 FEEDMM Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000936049566 681884185 /nfs/dbraw/zinc/88/41/85/681884185.db2.gz RHDWYCNADSCGIZ-ZDUSSCGKSA-N -1 1 353.344 2.397 20 30 FEEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000781126367 681903885 /nfs/dbraw/zinc/90/38/85/681903885.db2.gz FQVNQURQFGTNIZ-UHFFFAOYSA-N -1 1 362.342 2.308 20 30 FEEDMM CC#CCC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914338822 685504597 /nfs/dbraw/zinc/50/45/97/685504597.db2.gz BYCCWHAJDQMOSL-UHFFFAOYSA-N -1 1 350.209 2.289 20 30 FEEDMM COc1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)c(OC)c1 ZINC000914600566 685508785 /nfs/dbraw/zinc/50/87/85/685508785.db2.gz WQAXSAQULFOKDM-UHFFFAOYSA-N -1 1 359.407 2.167 20 30 FEEDMM Cc1nn(-c2ccncc2)cc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000783800993 682178467 /nfs/dbraw/zinc/17/84/67/682178467.db2.gz ZVZCJSQDOKWUSQ-UHFFFAOYSA-N -1 1 353.333 2.357 20 30 FEEDMM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000790040228 682650583 /nfs/dbraw/zinc/65/05/83/682650583.db2.gz VEKCPPMOXFAFNC-OAHLLOKOSA-N -1 1 366.483 2.409 20 30 FEEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OCC ZINC000867591972 684323746 /nfs/dbraw/zinc/32/37/46/684323746.db2.gz KXWPMKKIDYNJBB-AWEZNQCLSA-N -1 1 356.831 2.052 20 30 FEEDMM C#Cc1ccc(CNC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000868661248 684524516 /nfs/dbraw/zinc/52/45/16/684524516.db2.gz IDMIFPQQYABWPG-INIZCTEOSA-N -1 1 353.344 2.020 20 30 FEEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)OCC ZINC000882645496 687425884 /nfs/dbraw/zinc/42/58/84/687425884.db2.gz XCGZLADDNHKOFV-OAHLLOKOSA-N -1 1 354.403 2.015 20 30 FEEDMM COc1cc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)c(F)cc1C#N ZINC000901939314 690717689 /nfs/dbraw/zinc/71/76/89/690717689.db2.gz BBAGGNNBIMVBFM-UHFFFAOYSA-N -1 1 350.375 2.428 20 30 FEEDMM Cn1cc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c(C2CCCC2)n1 ZINC000901949996 690719517 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N#Cc1ccc(CS(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)c(F)c1 ZINC000481053434 561223938 /nfs/dbraw/zinc/22/39/38/561223938.db2.gz RCOVWEXPSMBAKY-HNNXBMFYSA-N -1 1 370.352 2.129 20 30 FEEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)c(F)c1 ZINC000178621578 546822012 /nfs/dbraw/zinc/82/20/12/546822012.db2.gz CUMMNAONPHDUJV-UHFFFAOYSA-N -1 1 350.375 2.046 20 30 FEEDMM Cc1cc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)nn1CCC#N ZINC000270996388 550329847 /nfs/dbraw/zinc/32/98/47/550329847.db2.gz BBGIYWFOQJFKPL-UHFFFAOYSA-N -1 1 367.413 2.042 20 30 FEEDMM C=C(C)[C@@H](CC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1)OCC ZINC000277716185 550705540 /nfs/dbraw/zinc/70/55/40/550705540.db2.gz NCLROGFMJPFURU-CQSZACIVSA-N -1 1 364.446 2.059 20 30 FEEDMM N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290297041 552456152 /nfs/dbraw/zinc/45/61/52/552456152.db2.gz FSXUXURLSYMAQR-GWJCSSMESA-N -1 1 365.355 2.489 20 30 FEEDMM N#Cc1ccc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000290721929 552525700 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FEEDMM COc1ccc([C@H](CNC(=O)N=c2[n-]n(C)cc2C#N)N2CCCC2)cc1 ZINC000610562098 554528989 /nfs/dbraw/zinc/52/89/89/554528989.db2.gz WYHSGIVHRXEELX-KRWDZBQOSA-N -1 1 368.441 2.259 20 30 FEEDMM C=CCOCCCC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368503179 556328048 /nfs/dbraw/zinc/32/80/48/556328048.db2.gz PNNMXFLRSIEXCY-CQSZACIVSA-N -1 1 353.785 2.181 20 30 FEEDMM N#Cc1cccc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c1 ZINC000368501325 556328256 /nfs/dbraw/zinc/32/82/56/556328256.db2.gz HHBRABXUSJRKHD-AWEZNQCLSA-N -1 1 356.748 2.383 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)o1 ZINC000368623004 556366504 /nfs/dbraw/zinc/36/65/04/556366504.db2.gz JCXXAYSGBMSREX-LLVKDONJSA-N -1 1 367.377 2.234 20 30 FEEDMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccc(F)c3C#N)CC2)n1 ZINC000369360789 556579893 /nfs/dbraw/zinc/57/98/93/556579893.db2.gz YQYMQZONLNKZJR-UHFFFAOYSA-N -1 1 371.372 2.012 20 30 FEEDMM C=CCN1CC[C@H](N(C)c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)C1=O ZINC000425255337 559693503 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N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)c3ccc([O-])cc3)C2)c(F)c1 ZINC000437001352 559959171 /nfs/dbraw/zinc/95/91/71/559959171.db2.gz OXCXBWYJPBNZJR-HNNXBMFYSA-N -1 1 367.380 2.371 20 30 FEEDMM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000460441473 560743789 /nfs/dbraw/zinc/74/37/89/560743789.db2.gz XBROCGNQPPWEND-UHFFFAOYSA-N -1 1 374.813 2.203 20 30 FEEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC000462081712 560795769 /nfs/dbraw/zinc/79/57/69/560795769.db2.gz UPJAWOOJHCHPPC-SWLSCSKDSA-N -1 1 361.427 2.127 20 30 FEEDMM N#Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)ccc1Cl ZINC000467751125 560916413 /nfs/dbraw/zinc/91/64/13/560916413.db2.gz FEFNXBYPEYWKPU-UHFFFAOYSA-N -1 1 352.755 2.416 20 30 FEEDMM CC(C)(C)C1CCC(C#N)(NC(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000470590022 560985358 /nfs/dbraw/zinc/98/53/58/560985358.db2.gz CDUIOPZEDITSQE-UHFFFAOYSA-N -1 1 358.442 2.132 20 30 FEEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc([C@H]2CNC(=O)C2)c1 ZINC000475785939 561105276 /nfs/dbraw/zinc/10/52/76/561105276.db2.gz AUYVXPVTARREHR-OAHLLOKOSA-N -1 1 355.419 2.157 20 30 FEEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1 ZINC000475808235 561105862 /nfs/dbraw/zinc/10/58/62/561105862.db2.gz JCZWMKLHAVFLAQ-UHFFFAOYSA-N -1 1 355.419 2.446 20 30 FEEDMM C#CCOc1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735387775 598967963 /nfs/dbraw/zinc/96/79/63/598967963.db2.gz FTIDKPMCOSYCMY-UHFFFAOYSA-N -1 1 357.377 2.434 20 30 FEEDMM C#CCOc1ccccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735387775 598967965 /nfs/dbraw/zinc/96/79/65/598967965.db2.gz FTIDKPMCOSYCMY-UHFFFAOYSA-N -1 1 357.377 2.434 20 30 FEEDMM Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822215120 599331391 /nfs/dbraw/zinc/33/13/91/599331391.db2.gz MKNHVPACPQFXLT-UHFFFAOYSA-N -1 1 352.383 2.198 20 30 FEEDMM Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822215120 599331394 /nfs/dbraw/zinc/33/13/94/599331394.db2.gz MKNHVPACPQFXLT-UHFFFAOYSA-N -1 1 352.383 2.198 20 30 FEEDMM c1cc(-c2nnn[n-]2)oc1CN=Nc1ncnc2c1cnn2-c1ccccc1 ZINC000819718820 599336746 /nfs/dbraw/zinc/33/67/46/599336746.db2.gz RPJZZSRQUUEBOQ-UHFFFAOYSA-N -1 1 372.352 2.035 20 30 FEEDMM c1cc(-c2nn[n-]n2)oc1CN=Nc1ncnc2c1cnn2-c1ccccc1 ZINC000819718820 599336747 /nfs/dbraw/zinc/33/67/47/599336747.db2.gz RPJZZSRQUUEBOQ-UHFFFAOYSA-N -1 1 372.352 2.035 20 30 FEEDMM N#Cc1ccccc1N1CCN(CCOc2cccc(C(=O)[O-])c2)CC1 ZINC000739146966 599717435 /nfs/dbraw/zinc/71/74/35/599717435.db2.gz NDNPTIORTLYZCF-UHFFFAOYSA-N -1 1 351.406 2.457 20 30 FEEDMM O=C([O-])c1ccc(O)c(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000823391758 607460826 /nfs/dbraw/zinc/46/08/26/607460826.db2.gz DJLMVJLJLOJEBQ-HWKANZROSA-N -1 1 354.297 2.306 20 30 FEEDMM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(O)c(CN3CCOCC3)c2)[nH]1 ZINC000833095778 601331066 /nfs/dbraw/zinc/33/10/66/601331066.db2.gz XVBNJNYMEQCHCY-ZZXKWVIFSA-N -1 1 356.378 2.147 20 30 FEEDMM O=C([O-])c1occc1C=NNc1nc(Br)cn2ccnc12 ZINC000833346418 601387075 /nfs/dbraw/zinc/38/70/75/601387075.db2.gz PDOJPDZFDFPSML-UHFFFAOYSA-N -1 1 350.132 2.229 20 30 FEEDMM C#CCN(CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C1CCCC1 ZINC000825614469 601817374 /nfs/dbraw/zinc/81/73/74/601817374.db2.gz OTWYHVRZIGFPGD-LJQANCHMSA-N -1 1 367.449 2.158 20 30 FEEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738611648 602531175 /nfs/dbraw/zinc/53/11/75/602531175.db2.gz DFISUZNGQBNDJQ-HZPDHXFCSA-N -1 1 358.442 2.253 20 30 FEEDMM Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)cc1C ZINC000740129661 602533577 /nfs/dbraw/zinc/53/35/77/602533577.db2.gz DXTHHLWJKBVFPE-QGZVFWFLSA-N -1 1 372.469 2.482 20 30 FEEDMM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739088345 602768257 /nfs/dbraw/zinc/76/82/57/602768257.db2.gz IUJYFCRWCUWDKX-PUZXFTGSSA-N -1 1 364.490 2.284 20 30 FEEDMM N#Cc1ccccc1S(=O)(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000740321425 603182909 /nfs/dbraw/zinc/18/29/09/603182909.db2.gz AAHWMZDRRBIRFI-UHFFFAOYSA-N -1 1 357.391 2.395 20 30 FEEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833366719 604744875 /nfs/dbraw/zinc/74/48/75/604744875.db2.gz GUTSCUPVLYJZNT-UHFFFAOYSA-N -1 1 367.329 2.476 20 30 FEEDMM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1ccc(C#N)cc1F ZINC000831945909 604806661 /nfs/dbraw/zinc/80/66/61/604806661.db2.gz MCAAVTCPMZQOAV-UHFFFAOYSA-N -1 1 356.356 2.266 20 30 FEEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833960927 606012817 /nfs/dbraw/zinc/01/28/17/606012817.db2.gz MURAHLQGNBLYMU-SNVBAGLBSA-N -1 1 359.729 2.181 20 30 FEEDMM CN(C)c1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821589571 606370263 /nfs/dbraw/zinc/37/02/63/606370263.db2.gz UECJXPYLSPXDBF-UHFFFAOYSA-N -1 1 372.483 2.315 20 30 FEEDMM C=CCCC(=O)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000823888315 608057009 /nfs/dbraw/zinc/05/70/09/608057009.db2.gz ITHSFQJQVDXPBL-UHFFFAOYSA-N -1 1 355.354 2.251 20 30 FEEDMM C=CCCC(=O)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000823888315 608057010 /nfs/dbraw/zinc/05/70/10/608057010.db2.gz ITHSFQJQVDXPBL-UHFFFAOYSA-N -1 1 355.354 2.251 20 30 FEEDMM O=C(C#Cc1ccccc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826396579 609292906 /nfs/dbraw/zinc/29/29/06/609292906.db2.gz DCPLTIZTSHQSIM-UHFFFAOYSA-N -1 1 373.351 2.182 20 30 FEEDMM CC[C@@](C)(C#N)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000563181721 674855305 /nfs/dbraw/zinc/85/53/05/674855305.db2.gz GFWICWCBVOMFED-ZDUSSCGKSA-N -1 1 364.254 2.080 20 30 FEEDMM Cn1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cn1 ZINC000048816853 670273913 /nfs/dbraw/zinc/27/39/13/670273913.db2.gz NVGJINPGPDWKAE-NSHDSACASA-N -1 1 353.407 2.087 20 30 FEEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000569875950 670626607 /nfs/dbraw/zinc/62/66/07/670626607.db2.gz CHRQMHOGQCFLHY-JTQLQIEISA-N -1 1 365.436 2.431 20 30 FEEDMM C#CCOc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC000091160151 670719940 /nfs/dbraw/zinc/71/99/40/670719940.db2.gz FZHYBCFAQRIUGW-UHFFFAOYSA-N -1 1 362.382 2.462 20 30 FEEDMM COc1cc(OC)c(NS(=O)(=O)CC2(C#N)CCCC2)c(C(=O)[O-])c1 ZINC000575466236 671314009 /nfs/dbraw/zinc/31/40/09/671314009.db2.gz DNKWRVAHRGRBQW-UHFFFAOYSA-N -1 1 368.411 2.228 20 30 FEEDMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cnn(CC#N)c2)cc1 ZINC000139489670 672146580 /nfs/dbraw/zinc/14/65/80/672146580.db2.gz VFTDDQFFPFWTIN-UHFFFAOYSA-N -1 1 353.411 2.275 20 30 FEEDMM Cc1nc(NC(=O)c2cc(C#N)cn2C)sc1-c1n[n-]c(=S)n1C ZINC000175807919 672370894 /nfs/dbraw/zinc/37/08/94/672370894.db2.gz OYAWHWNYHQLNKZ-UHFFFAOYSA-N -1 1 359.440 2.372 20 30 FEEDMM C#C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000185299216 672524866 /nfs/dbraw/zinc/52/48/66/672524866.db2.gz HJFAFXQAEDOMMY-CYBMUJFWSA-N -1 1 358.419 2.248 20 30 FEEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594487244 673090430 /nfs/dbraw/zinc/09/04/30/673090430.db2.gz LYYFSIVLMZNVCM-WCQYABFASA-N -1 1 366.336 2.476 20 30 FEEDMM Cn1ncc(C2CCC2)c1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000594869176 673172048 /nfs/dbraw/zinc/17/20/48/673172048.db2.gz AHZAHBVHLPJZJO-UHFFFAOYSA-N -1 1 366.393 2.316 20 30 FEEDMM CS(=O)(=O)c1ccccc1NN=Cc1cccc(OCCC(=O)[O-])c1 ZINC000731932995 673348485 /nfs/dbraw/zinc/34/84/85/673348485.db2.gz DYDIWOFPUUMZDQ-UHFFFAOYSA-N -1 1 362.407 2.390 20 30 FEEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000735224957 673486853 /nfs/dbraw/zinc/48/68/53/673486853.db2.gz YKSMLKLUCKDSJR-UHFFFAOYSA-N -1 1 356.354 2.323 20 30 FEEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000545294123 673757178 /nfs/dbraw/zinc/75/71/78/673757178.db2.gz VRTJACGAGRXFNN-UHFFFAOYSA-N -1 1 361.379 2.032 20 30 FEEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000546707663 673812496 /nfs/dbraw/zinc/81/24/96/673812496.db2.gz TZQQNOWSUVMQTO-UHFFFAOYSA-N -1 1 350.327 2.205 20 30 FEEDMM N#Cc1cccc(N2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)n1 ZINC000601443666 673863372 /nfs/dbraw/zinc/86/33/72/673863372.db2.gz JLRRHWPCKMTYJU-UHFFFAOYSA-N -1 1 356.813 2.204 20 30 FEEDMM C=C(C)C[C@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)OC ZINC000601502396 673871838 /nfs/dbraw/zinc/87/18/38/673871838.db2.gz PJNMCULWVAJJEH-VIFPVBQESA-N -1 1 368.274 2.297 20 30 FEEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000746492113 673881537 /nfs/dbraw/zinc/88/15/37/673881537.db2.gz RSXJDBDCLJYQPB-UHFFFAOYSA-N -1 1 358.379 2.310 20 30 FEEDMM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1nn[n-]n1 ZINC000601646645 673890598 /nfs/dbraw/zinc/89/05/98/673890598.db2.gz FZXLULWUONBGJJ-SNVBAGLBSA-N -1 1 352.320 2.092 20 30 FEEDMM C[C@@H]1CCC[C@@](NS(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])C1 ZINC000548836392 674000143 /nfs/dbraw/zinc/00/01/43/674000143.db2.gz CXXQWRAWIMDZRZ-PSLIRLAXSA-N -1 1 358.366 2.148 20 30 FEEDMM COC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461778 676377727 /nfs/dbraw/zinc/37/77/27/676377727.db2.gz GNELXJJWCSLJRR-UHFFFAOYSA-N -1 1 360.391 2.105 20 30 FEEDMM N#Cc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000765545474 680845957 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COc1cccc2c1CCC2=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000759668178 680663038 /nfs/dbraw/zinc/66/30/38/680663038.db2.gz ZZRMLNIVPCHJEM-UHFFFAOYSA-N -1 1 361.379 2.232 20 30 FEEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000766063701 680865082 /nfs/dbraw/zinc/86/50/82/680865082.db2.gz ZRYLPCWBNPHUDI-UHFFFAOYSA-N -1 1 368.317 2.344 20 30 FEEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc2ccc(Br)cc2n1 ZINC000766473361 680878114 /nfs/dbraw/zinc/87/81/14/680878114.db2.gz FEURTGCIKSTGJI-UHFFFAOYSA-N -1 1 362.212 2.120 20 30 FEEDMM Cc1cc(C=Nn2c(=O)cn[n-]c2=S)c(C)n1-c1ccc(F)cc1F ZINC000766474211 680878278 /nfs/dbraw/zinc/87/82/78/680878278.db2.gz LKQZCAAWYLADJU-UHFFFAOYSA-N -1 1 361.377 2.495 20 30 FEEDMM CCCOc1ccc(Br)cc1C=Nn1c(=O)cn[n-]c1=S ZINC000766482583 680878670 /nfs/dbraw/zinc/87/86/70/680878670.db2.gz PERLVRMLUMOOHM-UHFFFAOYSA-N -1 1 369.244 2.361 20 30 FEEDMM CC#CCCCC(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000767665260 680921105 /nfs/dbraw/zinc/92/11/05/680921105.db2.gz 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C[C@@H]1C[C@H](NS(=O)(=O)c2cccnc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000277254501 550648260 /nfs/dbraw/zinc/64/82/60/550648260.db2.gz VZNAKJHWNVAILP-NVXWUHKLSA-N -1 1 370.478 2.285 20 30 FEEDMM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)c1 ZINC000500950495 561586395 /nfs/dbraw/zinc/58/63/95/561586395.db2.gz CHEWXICEWYXGOX-HNNXBMFYSA-N -1 1 370.352 2.129 20 30 FEEDMM Cc1nsc(N2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)c1C#N ZINC000291041268 552579442 /nfs/dbraw/zinc/57/94/42/552579442.db2.gz GBYGHCHVDQNNSY-UHFFFAOYSA-N -1 1 364.377 2.269 20 30 FEEDMM CC(C)[C@@](C)(C#N)NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000298270984 553406553 /nfs/dbraw/zinc/40/65/53/553406553.db2.gz IWCXWQLZAJNZMG-QGZVFWFLSA-N -1 1 364.471 2.211 20 30 FEEDMM C#CCOCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000302160219 553707709 /nfs/dbraw/zinc/70/77/09/553707709.db2.gz NUEHSLRGMAMYAI-UHFFFAOYSA-N -1 1 367.377 2.222 20 30 FEEDMM C=CCC[C@H](CO)NC(=O)c1cc(I)ccc1[O-] ZINC000320276854 553764762 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FEEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(N2CN=NC2=O)c1C ZINC000367943193 556178654 /nfs/dbraw/zinc/17/86/54/556178654.db2.gz NTBBSBPVAOCUNV-UHFFFAOYSA-N -1 1 369.406 2.262 20 30 FEEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCC[C@H]2CC(=O)[O-])c(F)c1 ZINC000515212297 562000888 /nfs/dbraw/zinc/00/08/88/562000888.db2.gz LLSCPRXFFXIEKN-GWCFXTLKSA-N -1 1 358.366 2.148 20 30 FEEDMM C=CCOCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000378559477 558583261 /nfs/dbraw/zinc/58/32/61/558583261.db2.gz CCGUBTYFPNNAGE-SFHVURJKSA-N -1 1 368.433 2.469 20 30 FEEDMM C=CCN(C(=O)c1ncc(C)cc1[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000426993775 559745356 /nfs/dbraw/zinc/74/53/56/559745356.db2.gz XGAJFHQAPHRXIB-AWEZNQCLSA-N -1 1 364.409 2.461 20 30 FEEDMM N#Cc1cc(F)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)c(F)c1 ZINC000427302396 559752823 /nfs/dbraw/zinc/75/28/23/559752823.db2.gz PSLAHOPTCWMPQY-UHFFFAOYSA-N -1 1 356.281 2.475 20 30 FEEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1C#N ZINC000435140497 559917010 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CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)OC ZINC000451562769 560314875 /nfs/dbraw/zinc/31/48/75/560314875.db2.gz DGBSQTPHHUUVFL-VIFPVBQESA-N -1 1 365.224 2.163 20 30 FEEDMM C=CCC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)OCC ZINC000452002308 560344421 /nfs/dbraw/zinc/34/44/21/560344421.db2.gz XXLSCSQQNJNJDZ-HNNXBMFYSA-N -1 1 354.403 2.015 20 30 FEEDMM N#CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000476216657 561113509 /nfs/dbraw/zinc/11/35/09/561113509.db2.gz JKDOLUGWWFBWGH-UHFFFAOYSA-N -1 1 370.839 2.438 20 30 FEEDMM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000535266175 562554700 /nfs/dbraw/zinc/55/47/00/562554700.db2.gz OJSRKCAOEDIFND-MRXNPFEDSA-N -1 1 363.389 2.301 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccncc2Br)c(F)c1 ZINC000540901830 562596242 /nfs/dbraw/zinc/59/62/42/562596242.db2.gz POBYCDXQDSIEFI-UHFFFAOYSA-N -1 1 356.176 2.078 20 30 FEEDMM CSc1[n-]c(=O)c(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)cc1C#N ZINC000541748051 562619085 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C=C(Cl)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000735401994 599390044 /nfs/dbraw/zinc/39/00/44/599390044.db2.gz CYTBBZVEWGNWEH-UHFFFAOYSA-N -1 1 350.835 2.343 20 30 FEEDMM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000827718863 601299326 /nfs/dbraw/zinc/29/93/26/601299326.db2.gz ZHWYJJQVVPNORB-PXAZEXFGSA-N -1 1 358.419 2.438 20 30 FEEDMM N#Cc1cnc2ccccc2c1N1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740321719 603333210 /nfs/dbraw/zinc/33/32/10/603333210.db2.gz HAHSFYDVNOUWQU-OAHLLOKOSA-N -1 1 365.437 2.228 20 30 FEEDMM CC(C)[C@@H](CCN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1)NC(=O)[O-] ZINC000824099633 603854016 /nfs/dbraw/zinc/85/40/16/603854016.db2.gz QSHFISFZLDUIIW-LSDHHAIUSA-N -1 1 352.479 2.332 20 30 FEEDMM N#Cc1ccccc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833977236 605517461 /nfs/dbraw/zinc/51/74/61/605517461.db2.gz WRHPBPNHQSQNGN-YJBOKZPZSA-N -1 1 370.453 2.029 20 30 FEEDMM C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833789430 605901203 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[O-]c1c(Br)cccc1C=NNCc1ccc(-c2nn[nH]n2)cc1 ZINC000823726952 607252864 /nfs/dbraw/zinc/25/28/64/607252864.db2.gz JCGACMNGMIHWQQ-UHFFFAOYSA-N -1 1 373.214 2.459 20 30 FEEDMM Cc1ccc(CN2CCSCC2)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821079106 598226037 /nfs/dbraw/zinc/22/60/37/598226037.db2.gz NGPCOLPZZBLTJN-SFHVURJKSA-N -1 1 361.467 2.487 20 30 FEEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc2c(C)nn(C)c2s1 ZINC000807962682 674436067 /nfs/dbraw/zinc/43/60/67/674436067.db2.gz NJFZINVCJJNNOS-UHFFFAOYSA-N -1 1 373.463 2.406 20 30 FEEDMM C[C@H](c1cccnc1)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736723793 600955572 /nfs/dbraw/zinc/95/55/72/600955572.db2.gz GKJFOPXTWWKZCK-BEFAXECRSA-N -1 1 350.422 2.458 20 30 FEEDMM N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000833068941 600986852 /nfs/dbraw/zinc/98/68/52/600986852.db2.gz ICBAHQHXBHXIBI-XKQJLSEDSA-N -1 1 366.421 2.138 20 30 FEEDMM N#CCc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000833068807 601384700 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COc1cc(NC(=O)N2CCC(CC#N)CC2)ccc1[N-]S(C)(=O)=O ZINC000542902264 673613639 /nfs/dbraw/zinc/61/36/39/673613639.db2.gz PAMYTKDNDAACOK-UHFFFAOYSA-N -1 1 366.443 2.224 20 30 FEEDMM Cn1c2ccccc2sc1=N[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000739670018 673634278 /nfs/dbraw/zinc/63/42/78/673634278.db2.gz CNZUDCRRHFHLOE-UHFFFAOYSA-N -1 1 362.411 2.045 20 30 FEEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)ccc1C ZINC000745977856 673859897 /nfs/dbraw/zinc/85/98/97/673859897.db2.gz CRBMDCHGASXNQJ-UHFFFAOYSA-N -1 1 360.391 2.485 20 30 FEEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2CSC2)cc1Br ZINC000603386810 673928515 /nfs/dbraw/zinc/92/85/15/673928515.db2.gz WQNYHNANONBLEC-UHFFFAOYSA-N -1 1 365.249 2.101 20 30 FEEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@H](C(=O)[O-])c2cccc(F)c2)c(F)c1 ZINC000548241484 673940705 /nfs/dbraw/zinc/94/07/05/673940705.db2.gz CDRLTAODPBPIAG-ZDUSSCGKSA-N -1 1 370.308 2.080 20 30 FEEDMM CO[C@H]1C[C@H]2CC(=N[N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000819807401 675316220 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C=CCOc1ccc(COC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000764845140 680822618 /nfs/dbraw/zinc/82/26/18/680822618.db2.gz LPEDGPHSONEXRE-UHFFFAOYSA-N -1 1 351.380 2.110 20 30 FEEDMM COc1cc(C(C)=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000765582320 680847157 /nfs/dbraw/zinc/84/71/57/680847157.db2.gz WOJOZCFYWSMIJH-UHFFFAOYSA-N -1 1 367.358 2.445 20 30 FEEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1csc(C2CC2)n1 ZINC000748248733 679945930 /nfs/dbraw/zinc/94/59/30/679945930.db2.gz WCCWBKFPSWWOMO-UHFFFAOYSA-N -1 1 352.397 2.241 20 30 FEEDMM C=CCC[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(=O)OCC ZINC000832550531 680148328 /nfs/dbraw/zinc/14/83/28/680148328.db2.gz RDIUZLCKVBKOPA-OAHLLOKOSA-N -1 1 351.424 2.237 20 30 FEEDMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000751147950 680156418 /nfs/dbraw/zinc/15/64/18/680156418.db2.gz YOCGFYFZQKKVMZ-UHFFFAOYSA-N -1 1 355.375 2.231 20 30 FEEDMM COc1cccc2c1CCC(=NN=C1[N-]S(=O)(=O)c3ccccc31)C2 ZINC000754932063 680389213 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CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C#N)c(F)c1 ZINC000776778665 681435182 /nfs/dbraw/zinc/43/51/82/681435182.db2.gz UUYRQCDGNIWUOH-UHFFFAOYSA-N -1 1 362.342 2.308 20 30 FEEDMM CC#CCCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000852521874 682295188 /nfs/dbraw/zinc/29/51/88/682295188.db2.gz VPVSPPLSNFDDSF-OLZOCXBDSA-N -1 1 362.392 2.253 20 30 FEEDMM C[C@@H]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856415479 682778157 /nfs/dbraw/zinc/77/81/57/682778157.db2.gz MIUPBWDMKGXSHG-BFQNTYOBSA-N -1 1 357.376 2.376 20 30 FEEDMM N#C[C@@H](C(=O)CC1OCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000798208147 683321153 /nfs/dbraw/zinc/32/11/53/683321153.db2.gz JWIRDMILSUUIFA-JTQLQIEISA-N -1 1 359.407 2.215 20 30 FEEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCCc3cccnc32)cc1 ZINC000799109551 683423812 /nfs/dbraw/zinc/42/38/12/683423812.db2.gz FHHMNYKDOJROHN-UHFFFAOYSA-N -1 1 360.395 2.150 20 30 FEEDMM C#CCN1CCC(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CC1 ZINC000928650627 683481502 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FEEDMM Cc1cc(N2CCNC2=O)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427287440 559752309 /nfs/dbraw/zinc/75/23/09/559752309.db2.gz GHDJWJYUMAQONA-UHFFFAOYSA-N -1 1 374.397 2.336 20 30 FEEDMM Cc1cc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)ccc1C#N ZINC000435733552 559929153 /nfs/dbraw/zinc/92/91/53/559929153.db2.gz WFTOQOSODAPTEN-OAHLLOKOSA-N -1 1 355.419 2.271 20 30 FEEDMM Cn1ncc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1C#N ZINC000436984559 559958529 /nfs/dbraw/zinc/95/85/29/559958529.db2.gz CEGASGCPLSNHMJ-UHFFFAOYSA-N -1 1 367.409 2.312 20 30 FEEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000463511815 560817635 /nfs/dbraw/zinc/81/76/35/560817635.db2.gz HYYCKKBHYCDVTN-UHFFFAOYSA-N -1 1 350.327 2.205 20 30 FEEDMM C=C(C)COCCNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000475845463 561106841 /nfs/dbraw/zinc/10/68/41/561106841.db2.gz GGFFEIDGLZTNRM-UHFFFAOYSA-N -1 1 356.426 2.194 20 30 FEEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)ccc1OC ZINC000530605213 562417506 /nfs/dbraw/zinc/41/75/06/562417506.db2.gz ASJCYMFWHDCCSX-UHFFFAOYSA-N -1 1 360.391 2.463 20 30 FEEDMM C[C@@H](C#N)CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000533141503 562499656 /nfs/dbraw/zinc/49/96/56/562499656.db2.gz SMQZEHLQOVNUAI-NSHDSACASA-N -1 1 353.444 2.121 20 30 FEEDMM COc1cc(-c2nc3ccc(C#N)cc3[nH]2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000536158492 562573363 /nfs/dbraw/zinc/57/33/63/562573363.db2.gz RZGWAIQFWVSOPO-UHFFFAOYSA-N -1 1 368.305 2.482 20 30 FEEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000603982582 568194331 /nfs/dbraw/zinc/19/43/31/568194331.db2.gz JUZZKJQDWIWWJZ-UHFFFAOYSA-N -1 1 359.407 2.269 20 30 FEEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000819865880 598228975 /nfs/dbraw/zinc/22/89/75/598228975.db2.gz PGZNHNQYDMGFIV-CYBMUJFWSA-N -1 1 351.160 2.268 20 30 FEEDMM N#Cc1[n-]c(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)nc1-c1nn[nH]n1 ZINC000737706280 598542910 /nfs/dbraw/zinc/54/29/10/598542910.db2.gz WYBRTYJDKQFKOG-KBPBESRZSA-N -1 1 370.376 2.357 20 30 FEEDMM Cc1cc([O-])cc2c1C(=O)C(=Cc1cnc3ccc(-c4nn[nH]n4)cn13)O2 ZINC000737281080 599464037 /nfs/dbraw/zinc/46/40/37/599464037.db2.gz ZVRZLIASPVGSRO-LHHJGKSTSA-N -1 1 360.333 2.145 20 30 FEEDMM C=CC1CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)CC1 ZINC000736097024 600327773 /nfs/dbraw/zinc/32/77/73/600327773.db2.gz VRZAFAWHUJICCW-GFCCVEGCSA-N -1 1 360.410 2.396 20 30 FEEDMM N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000833068943 600986737 /nfs/dbraw/zinc/98/67/37/600986737.db2.gz ICBAHQHXBHXIBI-XYPHTWIQSA-N -1 1 366.421 2.138 20 30 FEEDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000827369390 601294065 /nfs/dbraw/zinc/29/40/65/601294065.db2.gz WZVZSWCHRYOJCU-CYBMUJFWSA-N -1 1 361.446 2.127 20 30 FEEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737493723 601332551 /nfs/dbraw/zinc/33/25/51/601332551.db2.gz JLUXUHCLENLXLQ-UHFFFAOYSA-N -1 1 367.329 2.476 20 30 FEEDMM N#Cc1cc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])ccc1F ZINC000833069629 601841242 /nfs/dbraw/zinc/84/12/42/601841242.db2.gz JEYIIQPTYWKFLP-UHFFFAOYSA-N -1 1 355.734 2.245 20 30 FEEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738491197 601941237 /nfs/dbraw/zinc/94/12/37/601941237.db2.gz HCZDBOHASSSQCR-KGLIPLIRSA-N -1 1 351.472 2.241 20 30 FEEDMM N#CCc1ccnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000833068973 601964884 /nfs/dbraw/zinc/96/48/84/601964884.db2.gz JKEBTFMSCUSQPB-UHFFFAOYSA-N -1 1 351.771 2.300 20 30 FEEDMM N#CC1(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)CCCC1 ZINC000740309255 603060283 /nfs/dbraw/zinc/06/02/83/603060283.db2.gz GFRRWHFMPMLRJL-UHFFFAOYSA-N -1 1 354.370 2.262 20 30 FEEDMM N#CC1(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)CCCC1 ZINC000740309255 603060286 /nfs/dbraw/zinc/06/02/86/603060286.db2.gz GFRRWHFMPMLRJL-UHFFFAOYSA-N -1 1 354.370 2.262 20 30 FEEDMM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000825256667 604177521 /nfs/dbraw/zinc/17/75/21/604177521.db2.gz ZGFCKYBWOQBWLH-KKUMJFAQSA-N -1 1 350.463 2.086 20 30 FEEDMM C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C1CCN(C(=O)[O-])CC1 ZINC000824551177 604387982 /nfs/dbraw/zinc/38/79/82/604387982.db2.gz KLYOMAMVWXTGJX-OCCSQVGLSA-N -1 1 358.398 2.145 20 30 FEEDMM C=CCOc1ccc(Br)cc1NC(=O)CCCc1nn[n-]n1 ZINC000636017602 677112033 /nfs/dbraw/zinc/11/20/33/677112033.db2.gz NBFZBAKBSWGLSK-UHFFFAOYSA-N -1 1 366.219 2.488 20 30 FEEDMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000833829274 605549913 /nfs/dbraw/zinc/54/99/13/605549913.db2.gz HCLSUFSQVNNTDD-UKPHBRMFSA-N -1 1 356.426 2.032 20 30 FEEDMM N#Cc1cccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810144512 674534604 /nfs/dbraw/zinc/53/46/04/674534604.db2.gz BHLVEIZQRYSBGC-GFCCVEGCSA-N -1 1 354.332 2.481 20 30 FEEDMM COc1cc(O)c(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1OC ZINC000826181012 608534334 /nfs/dbraw/zinc/53/43/34/608534334.db2.gz IAFWUPIOVONSEP-UHFFFAOYSA-N -1 1 373.373 2.147 20 30 FEEDMM C#CCONC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000812785144 674697778 /nfs/dbraw/zinc/69/77/78/674697778.db2.gz GWQMRMRGGIHWLM-UHFFFAOYSA-N -1 1 358.419 2.399 20 30 FEEDMM NS(=O)(=O)c1ccc(N=NCc2cccc([O-])c2Cl)c([N+](=O)[O-])c1 ZINC000814686880 674875069 /nfs/dbraw/zinc/87/50/69/674875069.db2.gz FDCKIHMHQXVJDI-UHFFFAOYSA-N -1 1 370.774 2.047 20 30 FEEDMM CCC(Nc1sc2c(c1C#N)CC[C@@H](C)C2)=C1C(=O)[N-]C(=S)NC1=O ZINC000009953996 669985298 /nfs/dbraw/zinc/98/52/98/669985298.db2.gz GHTWWJBUXHIEQO-MRVPVSSYSA-N -1 1 374.491 2.351 20 30 FEEDMM CCO[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000069833485 670489570 /nfs/dbraw/zinc/48/95/70/670489570.db2.gz IJTPERTVXYQPEI-QJPTWQEYSA-N -1 1 357.435 2.465 20 30 FEEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000569875954 670626560 /nfs/dbraw/zinc/62/65/60/670626560.db2.gz CHRQMHOGQCFLHY-SNVBAGLBSA-N -1 1 365.436 2.431 20 30 FEEDMM C[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC000576434759 671368342 /nfs/dbraw/zinc/36/83/42/671368342.db2.gz MQPYUAVJNGSYNL-LLVKDONJSA-N -1 1 355.379 2.043 20 30 FEEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)ccc1F ZINC000609106554 675910442 /nfs/dbraw/zinc/91/04/42/675910442.db2.gz HRHGOAYISHGMAA-UHFFFAOYSA-N -1 1 359.382 2.390 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(C(F)(F)F)cc2)o1 ZINC000581901989 671948341 /nfs/dbraw/zinc/94/83/41/671948341.db2.gz XCUDZESZQHOXKM-GFCCVEGCSA-N -1 1 360.313 2.182 20 30 FEEDMM C#CCCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000126671083 672027227 /nfs/dbraw/zinc/02/72/27/672027227.db2.gz RGZAYEJINBZZDE-UHFFFAOYSA-N -1 1 361.217 2.439 20 30 FEEDMM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000170940115 672327415 /nfs/dbraw/zinc/32/74/15/672327415.db2.gz HQCBDMUDUWCLPW-UHFFFAOYSA-N -1 1 368.336 2.002 20 30 FEEDMM Cc1nc(CN2CCCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cs1 ZINC000188287265 672587451 /nfs/dbraw/zinc/58/74/51/672587451.db2.gz YRYMDGBSGXWXGQ-UHFFFAOYSA-N -1 1 356.451 2.377 20 30 FEEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000312042530 673027979 /nfs/dbraw/zinc/02/79/79/673027979.db2.gz SFWMLZMJZBEXBY-UHFFFAOYSA-N -1 1 350.282 2.372 20 30 FEEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594487241 673090336 /nfs/dbraw/zinc/09/03/36/673090336.db2.gz LYYFSIVLMZNVCM-AAEUAGOBSA-N -1 1 366.336 2.476 20 30 FEEDMM O=c1nc(NN=C2CCOc3c(Cl)ccc(Cl)c32)nc2[nH][n-]cc1-2 ZINC000731155292 673324397 /nfs/dbraw/zinc/32/43/97/673324397.db2.gz WXKKTHVSBLLDOL-UHFFFAOYSA-N -1 1 365.180 2.338 20 30 FEEDMM C=C(C)[C@H](CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])OCC ZINC000538873753 673463934 /nfs/dbraw/zinc/46/39/34/673463934.db2.gz FDEXQLGQVLSAPL-INIZCTEOSA-N -1 1 368.455 2.143 20 30 FEEDMM C[C@]1(C#N)CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000598416890 673568025 /nfs/dbraw/zinc/56/80/25/673568025.db2.gz DYSDCCUVHXSLDT-CYBMUJFWSA-N -1 1 356.163 2.373 20 30 FEEDMM C#CC[C@@H]1CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000862570494 683602432 /nfs/dbraw/zinc/60/24/32/683602432.db2.gz ISAPYPPTKXQBNU-SNVBAGLBSA-N -1 1 355.175 2.482 20 30 FEEDMM COCCC1N=NC(=S)N1N=Cc1ccc([O-])c(Br)c1 ZINC000743447387 673759860 /nfs/dbraw/zinc/75/98/60/673759860.db2.gz PSQZZGQNWPQCBM-UHFFFAOYSA-N -1 1 357.233 2.106 20 30 FEEDMM COc1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)ccc1SC ZINC000746489519 673881259 /nfs/dbraw/zinc/88/12/59/673881259.db2.gz BVYFOKINRTWCRI-UHFFFAOYSA-N -1 1 361.448 2.490 20 30 FEEDMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1C#N ZINC000746680689 673890064 /nfs/dbraw/zinc/89/00/64/673890064.db2.gz NFDSVOUCYWLPFX-UHFFFAOYSA-N -1 1 363.345 2.195 20 30 FEEDMM C[C@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000548541105 673968120 /nfs/dbraw/zinc/96/81/20/673968120.db2.gz IBCQXEFCVLXPMG-DOMZBBRYSA-N -1 1 358.366 2.148 20 30 FEEDMM C#CC[C@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)OC ZINC000822415498 675483505 /nfs/dbraw/zinc/48/35/05/675483505.db2.gz OOTJAAHQIIPGJP-NSHDSACASA-N -1 1 360.154 2.222 20 30 FEEDMM C#CCOc1ccc([C@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000761166092 680713566 /nfs/dbraw/zinc/71/35/66/680713566.db2.gz ILUPYOBMPFNSON-LBPRGKRZSA-N -1 1 363.391 2.118 20 30 FEEDMM CCOc1ccc(O)c(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000748254847 679945777 /nfs/dbraw/zinc/94/57/77/679945777.db2.gz JNHICDXEAPXRBD-UHFFFAOYSA-N -1 1 365.367 2.012 20 30 FEEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc(F)c(F)c(F)c1 ZINC000748254824 679945985 /nfs/dbraw/zinc/94/59/85/679945985.db2.gz IEXNWYQZFBFLMK-UHFFFAOYSA-N -1 1 359.285 2.325 20 30 FEEDMM C=CCc1ccc(OS(=O)(=O)c2n[n-]c(C)c2C(=O)OC)c(OC)c1 ZINC000750971746 680143509 /nfs/dbraw/zinc/14/35/09/680143509.db2.gz JPXWCWQHHJBYQW-UHFFFAOYSA-N -1 1 366.395 2.010 20 30 FEEDMM C#CCO[C@@H](C)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000835040348 680290235 /nfs/dbraw/zinc/29/02/35/680290235.db2.gz PPFFOZHXJMXKDN-JQWIXIFHSA-N -1 1 355.419 2.490 20 30 FEEDMM C#CCOc1ccccc1[C@@H](C)OC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000756549951 680484685 /nfs/dbraw/zinc/48/46/85/680484685.db2.gz WMYZQXVBAAOUOZ-GFCCVEGCSA-N -1 1 363.391 2.118 20 30 FEEDMM C=C[C@@H](CC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)c1ccccc1 ZINC000843015768 680982215 /nfs/dbraw/zinc/98/22/15/680982215.db2.gz IKUJQELGARNIGB-HNNXBMFYSA-N -1 1 350.484 2.277 20 30 FEEDMM C=C[C@H](C)O[N-]C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000846546617 681257856 /nfs/dbraw/zinc/25/78/56/681257856.db2.gz DIFOPZLWGJGSJK-QWHCGFSZSA-N -1 1 352.818 2.190 20 30 FEEDMM C=C[C@H](C)O[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000846544666 681258253 /nfs/dbraw/zinc/25/82/53/681258253.db2.gz RRCITSAOJYUSPU-QWRGUYRKSA-N -1 1 353.216 2.424 20 30 FEEDMM CC(C)[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776766915 681433999 /nfs/dbraw/zinc/43/39/99/681433999.db2.gz NFFOEUUABRTUEL-OAHLLOKOSA-N -1 1 355.416 2.205 20 30 FEEDMM C#CCCC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914199760 685498495 /nfs/dbraw/zinc/49/84/95/685498495.db2.gz QDLCZHCXTKCZFJ-NRFANRHFSA-N -1 1 354.375 2.281 20 30 FEEDMM N#Cc1ccc(C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)cc1[O-] ZINC000785635090 682313923 /nfs/dbraw/zinc/31/39/23/682313923.db2.gz REWNNODJJYGWIJ-UHFFFAOYSA-N -1 1 358.785 2.391 20 30 FEEDMM Cc1nc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)[nH]c1C ZINC000853271357 682400530 /nfs/dbraw/zinc/40/05/30/682400530.db2.gz IFCKBFFOYKNWBO-CYBMUJFWSA-N -1 1 356.411 2.301 20 30 FEEDMM COc1ccc2nc(C=NN=C3[N-]S(=O)(=O)c4ccccc43)sc2c1 ZINC000788712057 682553018 /nfs/dbraw/zinc/55/30/18/682553018.db2.gz MGQGZIBVVCKKKG-UHFFFAOYSA-N -1 1 372.431 2.378 20 30 FEEDMM C#CC[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)OC ZINC000854910976 682608808 /nfs/dbraw/zinc/60/88/08/682608808.db2.gz JITBSZDYIJPVPP-NSHDSACASA-N -1 1 360.154 2.222 20 30 FEEDMM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000789734309 682627962 /nfs/dbraw/zinc/62/79/62/682627962.db2.gz HTFTWMYVKYWTEY-UHFFFAOYSA-N -1 1 353.201 2.220 20 30 FEEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1 ZINC000794582998 682981630 /nfs/dbraw/zinc/98/16/30/682981630.db2.gz WIZMVSDAHBCGPM-UHFFFAOYSA-N -1 1 357.435 2.390 20 30 FEEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000859423972 683106756 /nfs/dbraw/zinc/10/67/56/683106756.db2.gz ASEFCARXMKKQNL-SECBINFHSA-N -1 1 364.782 2.094 20 30 FEEDMM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)[C@H]1CCCO1 ZINC000798451455 683349639 /nfs/dbraw/zinc/34/96/39/683349639.db2.gz HXCUUFCZYIFISY-GHMZBOCLSA-N -1 1 362.220 2.047 20 30 FEEDMM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1ccc(F)cc1 ZINC000921463320 683478294 /nfs/dbraw/zinc/47/82/94/683478294.db2.gz JZDBGBMAYFRLRS-AWEZNQCLSA-N -1 1 368.430 2.432 20 30 FEEDMM C#CCN1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000928656358 683483049 /nfs/dbraw/zinc/48/30/49/683483049.db2.gz SFVAFPUHELZINU-UHFFFAOYSA-N -1 1 358.829 2.059 20 30 FEEDMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cnn(C)c1 ZINC000921850103 683591423 /nfs/dbraw/zinc/59/14/23/683591423.db2.gz QTYSPKGGTKYOGM-CQSZACIVSA-N -1 1 354.382 2.246 20 30 FEEDMM N#CCc1ccsc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000868443929 684494948 /nfs/dbraw/zinc/49/49/48/684494948.db2.gz UBDKLZOBGZDBHO-SNVBAGLBSA-N -1 1 359.373 2.345 20 30 FEEDMM C#Cc1cncc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c1 ZINC000870161868 684688834 /nfs/dbraw/zinc/68/88/34/684688834.db2.gz AJGSNQYOSPVCDH-UHFFFAOYSA-N -1 1 355.825 2.380 20 30 FEEDMM COCn1nc(C)c(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c1C ZINC000872007356 684913185 /nfs/dbraw/zinc/91/31/85/684913185.db2.gz PJPABTXYQBEOJL-UHFFFAOYSA-N -1 1 356.354 2.055 20 30 FEEDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCc2cc(C#N)ccc21 ZINC000872478888 684960775 /nfs/dbraw/zinc/96/07/75/684960775.db2.gz DMHFWMBVKSWLSC-PEBXRYMYSA-N -1 1 355.485 2.276 20 30 FEEDMM C#C[C@H](NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000875723219 686071602 /nfs/dbraw/zinc/07/16/02/686071602.db2.gz WFCBIPWKXYFHRJ-ZDUSSCGKSA-N -1 1 373.762 2.334 20 30 FEEDMM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccc(SC)c(C#N)c1 ZINC000885610220 688111450 /nfs/dbraw/zinc/11/14/50/688111450.db2.gz ODUKWLWOLMQZCP-UHFFFAOYSA-N -1 1 361.514 2.122 20 30 FEEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)Cc1cc(C#N)cs1 ZINC000887971149 688528173 /nfs/dbraw/zinc/52/81/73/688528173.db2.gz SIPPNBUHFYSJNA-UHFFFAOYSA-N -1 1 355.423 2.186 20 30 FEEDMM C[N-]S(=O)(=O)c1ccc(C(=O)N(O)Cc2cccc3ccccc32)o1 ZINC000901370030 690641126 /nfs/dbraw/zinc/64/11/26/690641126.db2.gz PBAVLAVGFHGMKH-UHFFFAOYSA-N -1 1 360.391 2.373 20 30 FEEDMM O=C1C=COC2(CCN(Cn3[n-]c(-c4ccccn4)nc3=S)CC2)C1 ZINC000902599561 690784441 /nfs/dbraw/zinc/78/44/41/690784441.db2.gz FOVPZOBYYSSWGU-UHFFFAOYSA-N -1 1 357.439 2.298 20 30 FEEDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1cc(C#N)c(F)cc1F ZINC000906076430 691228931 /nfs/dbraw/zinc/22/89/31/691228931.db2.gz ZBGCSQVAYUDZGQ-OAQYLSRUSA-N -1 1 351.400 2.389 20 30 FEEDMM O=C(CCN1C(=O)COc2ccccc21)Nc1n[n-]c(C(F)(F)F)n1 ZINC000036744271 539994114 /nfs/dbraw/zinc/99/41/14/539994114.db2.gz JKDVKYNRZYFNRA-UHFFFAOYSA-N -1 1 355.276 2.227 20 30 FEEDMM CCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000067687936 541499774 /nfs/dbraw/zinc/49/97/74/541499774.db2.gz QNLHAXWIGLRAKA-UHFFFAOYSA-N -1 1 373.434 2.482 20 30 FEEDMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000116159585 543601455 /nfs/dbraw/zinc/60/14/55/543601455.db2.gz KUTZXIXDMDZFCL-UHFFFAOYSA-N -1 1 368.411 2.043 20 30 FEEDMM C[C@H](C#N)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000148121641 544448402 /nfs/dbraw/zinc/44/84/02/544448402.db2.gz JLLXDTLTCVICOK-CYBMUJFWSA-N -1 1 358.423 2.114 20 30 FEEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1nc(-c2cccc(F)c2)no1 ZINC000174043875 327303530 /nfs/dbraw/zinc/30/35/30/327303530.db2.gz GBXDTAGANKUAOS-JTQLQIEISA-N -1 1 373.369 2.182 20 30 FEEDMM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(C#N)cs2)s1 ZINC000267612712 329343178 /nfs/dbraw/zinc/34/31/78/329343178.db2.gz HXNSPLNUDNBVKS-UHFFFAOYSA-N -1 1 354.438 2.379 20 30 FEEDMM N#CCc1ccc(CS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)cc1 ZINC000479632877 561193814 /nfs/dbraw/zinc/19/38/14/561193814.db2.gz DJIYAPPYQHOVFQ-UHFFFAOYSA-N -1 1 352.419 2.435 20 30 FEEDMM N#CCc1ccc(CS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)cc1 ZINC000479632877 561193815 /nfs/dbraw/zinc/19/38/15/561193815.db2.gz DJIYAPPYQHOVFQ-UHFFFAOYSA-N -1 1 352.419 2.435 20 30 FEEDMM COc1ncccc1NC(=O)[C@H](C#N)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000179459092 546957932 /nfs/dbraw/zinc/95/79/32/546957932.db2.gz RZWGDHLKHYYSPW-SNVBAGLBSA-N -1 1 369.406 2.251 20 30 FEEDMM CC(C)(C)CC[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-] ZINC000485057231 561311624 /nfs/dbraw/zinc/31/16/24/561311624.db2.gz QNRRWHILKTYESI-LBPRGKRZSA-N -1 1 360.382 2.394 20 30 FEEDMM CC#CCCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000184834719 547885054 /nfs/dbraw/zinc/88/50/54/547885054.db2.gz GXWDDMIRHFJLQQ-UHFFFAOYSA-N -1 1 350.440 2.309 20 30 FEEDMM C=CCSc1ccccc1C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000485460151 561319709 /nfs/dbraw/zinc/31/97/09/561319709.db2.gz GOEKJDNUMUFCQE-UHFFFAOYSA-N -1 1 361.496 2.361 20 30 FEEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c(Cl)c1 ZINC000269687367 550216767 /nfs/dbraw/zinc/21/67/67/550216767.db2.gz ICPPNHCOCKLUCP-LLVKDONJSA-N -1 1 352.803 2.170 20 30 FEEDMM C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cccnc1C#N ZINC000277189905 550641506 /nfs/dbraw/zinc/64/15/06/550641506.db2.gz OMFYDPVRJGKJOE-WBVHZDCISA-N -1 1 370.478 2.142 20 30 FEEDMM CCN(CC)C(=O)CN1CCC(N=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000601182752 553357264 /nfs/dbraw/zinc/35/72/64/553357264.db2.gz WGCLJYTVQCLXJT-UHFFFAOYSA-N -1 1 355.895 2.413 20 30 FEEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1 ZINC000506725677 561706927 /nfs/dbraw/zinc/70/69/27/561706927.db2.gz IRJSNTIDOHVJSB-UHFFFAOYSA-N -1 1 362.411 2.199 20 30 FEEDMM N#Cc1cnc2c(F)ccc(F)c2c1N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000610777917 554561368 /nfs/dbraw/zinc/56/13/68/554561368.db2.gz JXZQNPRVWRCLKW-UHFFFAOYSA-N -1 1 373.392 2.145 20 30 FEEDMM Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)[n-]1 ZINC000611481016 554636460 /nfs/dbraw/zinc/63/64/60/554636460.db2.gz BHRFNDBWMOUZEC-CQSZACIVSA-N -1 1 362.397 2.446 20 30 FEEDMM N#Cc1cccc([C@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)CCO2)c1 ZINC000360732810 554887391 /nfs/dbraw/zinc/88/73/91/554887391.db2.gz JVBGKRJXOGWAQI-QGZVFWFLSA-N -1 1 360.373 2.008 20 30 FEEDMM CC(C)(C)OC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000367771589 556135358 /nfs/dbraw/zinc/13/53/58/556135358.db2.gz AYMOTYIITZSZNZ-GFCCVEGCSA-N -1 1 369.443 2.219 20 30 FEEDMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)n1C ZINC000372075633 557373431 /nfs/dbraw/zinc/37/34/31/557373431.db2.gz QJZKIAPHDRBGCK-UHFFFAOYSA-N -1 1 353.407 2.463 20 30 FEEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1NS(C)(=O)=O ZINC000520395139 562155436 /nfs/dbraw/zinc/15/54/36/562155436.db2.gz CONSIOPBXLIURN-UHFFFAOYSA-N -1 1 365.436 2.039 20 30 FEEDMM C=CCN1CC[C@@H](N(C)c2ccc(=N[C@@H](C)c3ccccc3)[n-]n2)C1=O ZINC000425255335 559693624 /nfs/dbraw/zinc/69/36/24/559693624.db2.gz FYKOTTHNYRIDHT-DOTOQJQBSA-N -1 1 351.454 2.873 20 30 FEEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)c1 ZINC000435196058 559917857 /nfs/dbraw/zinc/91/78/57/559917857.db2.gz BLORYEJGWQMGQB-UHFFFAOYSA-N -1 1 370.434 2.290 20 30 FEEDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000436169824 559936627 /nfs/dbraw/zinc/93/66/27/559936627.db2.gz BTHRIBLECIWLGZ-UHFFFAOYSA-N -1 1 364.354 2.293 20 30 FEEDMM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443076896 560069649 /nfs/dbraw/zinc/06/96/49/560069649.db2.gz XYQZJTFNBZNKEM-CQSZACIVSA-N -1 1 373.390 2.495 20 30 FEEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)ccc1C(F)(F)F ZINC000443410797 560083262 /nfs/dbraw/zinc/08/32/62/560083262.db2.gz BONWBUCAYQIEGO-UHFFFAOYSA-N -1 1 369.324 2.477 20 30 FEEDMM N#Cc1ccc(C(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1[O-] ZINC000444433409 560113602 /nfs/dbraw/zinc/11/36/02/560113602.db2.gz VFWLXPAUNWUSNY-LLVKDONJSA-N -1 1 364.323 2.262 20 30 FEEDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1ccccc1 ZINC000447758693 560168727 /nfs/dbraw/zinc/16/87/27/560168727.db2.gz MUNUSSOZUDAJIT-QGZVFWFLSA-N -1 1 374.418 2.150 20 30 FEEDMM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451447575 560307633 /nfs/dbraw/zinc/30/76/33/560307633.db2.gz SOEGCOLAJMVWHB-YUMQZZPRSA-N -1 1 365.224 2.162 20 30 FEEDMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000463526009 560818024 /nfs/dbraw/zinc/81/80/24/560818024.db2.gz NXJICTDMXJPYMN-UHFFFAOYSA-N -1 1 364.354 2.293 20 30 FEEDMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475792098 561105321 /nfs/dbraw/zinc/10/53/21/561105321.db2.gz CQKHCEZJOFWPLG-UHFFFAOYSA-N -1 1 353.407 2.443 20 30 FEEDMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2[nH]1 ZINC000475828726 561106389 /nfs/dbraw/zinc/10/63/89/561106389.db2.gz HGPCYRMUUCGUIU-UHFFFAOYSA-N -1 1 354.391 2.200 20 30 FEEDMM N#CCS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(F)c2)cc1 ZINC000530562019 562415891 /nfs/dbraw/zinc/41/58/91/562415891.db2.gz CJOOZUWJKRUSLR-UHFFFAOYSA-N -1 1 368.411 2.065 20 30 FEEDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000535752994 562566729 /nfs/dbraw/zinc/56/67/29/562566729.db2.gz MJRRWEHUNCGVML-INIZCTEOSA-N -1 1 368.430 2.239 20 30 FEEDMM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)cc1C#N ZINC000541748050 562619019 /nfs/dbraw/zinc/61/90/19/562619019.db2.gz DSFJQPCNWGJXLJ-CYBMUJFWSA-N -1 1 366.406 2.018 20 30 FEEDMM CN(c1cccc(C#N)c1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736841958 598866999 /nfs/dbraw/zinc/86/69/99/598866999.db2.gz KDIYXIKGPLLZRA-UHFFFAOYSA-N -1 1 374.813 2.217 20 30 FEEDMM CN(c1cccc(C#N)c1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736841958 598867001 /nfs/dbraw/zinc/86/70/01/598867001.db2.gz KDIYXIKGPLLZRA-UHFFFAOYSA-N -1 1 374.813 2.217 20 30 FEEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000819810931 597662806 /nfs/dbraw/zinc/66/28/06/597662806.db2.gz HVIXNUFKOUWNRZ-KUHUBIRLSA-N -1 1 367.409 2.182 20 30 FEEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 ZINC000819810931 597662809 /nfs/dbraw/zinc/66/28/09/597662809.db2.gz HVIXNUFKOUWNRZ-KUHUBIRLSA-N -1 1 367.409 2.182 20 30 FEEDMM N#Cc1[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)nc1-c1nn[nH]n1 ZINC000737706288 598542533 /nfs/dbraw/zinc/54/25/33/598542533.db2.gz WYBRTYJDKQFKOG-UONOGXRCSA-N -1 1 370.376 2.357 20 30 FEEDMM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735426834 598689464 /nfs/dbraw/zinc/68/94/64/598689464.db2.gz YNOMNVOSFGARER-UHFFFAOYSA-N -1 1 373.413 2.383 20 30 FEEDMM Cc1cc([O-])cc2c1C(=O)C(=Cc1cnc3ccc(-c4nn[nH]n4)cn13)O2 ZINC000737281082 599463862 /nfs/dbraw/zinc/46/38/62/599463862.db2.gz ZVRZLIASPVGSRO-RZNTYIFUSA-N -1 1 360.333 2.145 20 30 FEEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736089406 600900373 /nfs/dbraw/zinc/90/03/73/600900373.db2.gz KNUZQIXEPATLPP-UHFFFAOYSA-N -1 1 363.366 2.266 20 30 FEEDMM Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832910677 601839070 /nfs/dbraw/zinc/83/90/70/601839070.db2.gz ZSFWYIMXSGNSBH-UHFFFAOYSA-N -1 1 351.771 2.414 20 30 FEEDMM CCc1nn(CC#Cc2ccccc2Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763123 607545223 /nfs/dbraw/zinc/54/52/23/607545223.db2.gz PBUSZZBRXHLRGO-UHFFFAOYSA-N -1 1 368.828 2.253 20 30 FEEDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000825256193 604231268 /nfs/dbraw/zinc/23/12/68/604231268.db2.gz VCCUMHRJLOGMSF-JKSUJKDBSA-N -1 1 358.442 2.301 20 30 FEEDMM C=CCC[C@@H](O)CN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000825665006 604360120 /nfs/dbraw/zinc/36/01/20/604360120.db2.gz SONIWICHJUCYMJ-IAGOWNOFSA-N -1 1 352.862 2.410 20 30 FEEDMM C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824550052 604412953 /nfs/dbraw/zinc/41/29/53/604412953.db2.gz DYLFDQGOMLZDBA-HZSPNIEDSA-N -1 1 358.398 2.145 20 30 FEEDMM N#Cc1ccc(CSCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822825676 606517577 /nfs/dbraw/zinc/51/75/77/606517577.db2.gz LDWNBUSDDUBWLT-UHFFFAOYSA-N -1 1 366.406 2.110 20 30 FEEDMM N#Cc1ccc(CSCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822825676 606517580 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YTRWDBKGOCQKFS-UHFFFAOYSA-N -1 1 369.364 2.007 20 30 FEEDMM C#C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(F)cc1 ZINC000812526297 674682610 /nfs/dbraw/zinc/68/26/10/674682610.db2.gz HDLLMJHKNSZHGZ-CQSZACIVSA-N -1 1 359.338 2.258 20 30 FEEDMM CN1c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2CCC1=O ZINC000562346718 674744305 /nfs/dbraw/zinc/74/43/05/674744305.db2.gz ASAYNCMGAGLVSB-UHFFFAOYSA-N -1 1 359.382 2.407 20 30 FEEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1COc2c1cccc2Cl ZINC000814864943 674884817 /nfs/dbraw/zinc/88/48/17/674884817.db2.gz KPANCXXPXFIQKZ-UHFFFAOYSA-N -1 1 367.770 2.323 20 30 FEEDMM C=CCCOCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815026644 674901251 /nfs/dbraw/zinc/90/12/51/674901251.db2.gz IWYLWXOSVRVART-UHFFFAOYSA-N -1 1 352.771 2.258 20 30 FEEDMM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000574551612 671253451 /nfs/dbraw/zinc/25/34/51/671253451.db2.gz LPWQMTFERBYBSE-GFCCVEGCSA-N -1 1 365.224 2.185 20 30 FEEDMM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)OC ZINC000566168219 675188899 /nfs/dbraw/zinc/18/88/99/675188899.db2.gz OCJXDGFQGLROOT-XHDPSFHLSA-N -1 1 356.419 2.095 20 30 FEEDMM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)OC ZINC000566168216 675188929 /nfs/dbraw/zinc/18/89/29/675188929.db2.gz OCJXDGFQGLROOT-IAQYHMDHSA-N -1 1 356.419 2.095 20 30 FEEDMM C=CCCOCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000179309507 672400774 /nfs/dbraw/zinc/40/07/74/672400774.db2.gz HNGCTSZYAHUEMZ-UHFFFAOYSA-N -1 1 369.668 2.369 20 30 FEEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000589166713 672511027 /nfs/dbraw/zinc/51/10/27/672511027.db2.gz WDRGJSHZQLOEQJ-UHFFFAOYSA-N -1 1 357.391 2.056 20 30 FEEDMM C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593944345 673014021 /nfs/dbraw/zinc/01/40/21/673014021.db2.gz JHIGXGJHWNGMDV-DVVUODLYSA-N -1 1 372.393 2.250 20 30 FEEDMM C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730361678 673277999 /nfs/dbraw/zinc/27/79/99/673277999.db2.gz FCSUOHNMXUDDOY-ZETCQYMHSA-N -1 1 361.181 2.256 20 30 FEEDMM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000614326128 676169541 /nfs/dbraw/zinc/16/95/41/676169541.db2.gz UMLVOFYOQVJGCW-UHFFFAOYSA-N -1 1 351.771 2.414 20 30 FEEDMM N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000544714359 673728510 /nfs/dbraw/zinc/72/85/10/673728510.db2.gz DGSBFRDNSMAEIO-UHFFFAOYSA-N -1 1 371.212 2.271 20 30 FEEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)C(=O)CO2 ZINC000743269332 673754387 /nfs/dbraw/zinc/75/43/87/673754387.db2.gz NBORERZPQOMHAH-UHFFFAOYSA-N -1 1 357.391 2.023 20 30 FEEDMM COCCC1N=NC(=S)N1N=Cc1cccc(Br)c1[O-] ZINC000743447526 673759849 /nfs/dbraw/zinc/75/98/49/673759849.db2.gz UAEJWFKJYLLUFB-UHFFFAOYSA-N -1 1 357.233 2.106 20 30 FEEDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(C#N)CCCC2)C(=O)N1c1ccccc1 ZINC000545366091 673763386 /nfs/dbraw/zinc/76/33/86/673763386.db2.gz IQTIHCWQOSHINP-GDBMZVCRSA-N -1 1 361.467 2.184 20 30 FEEDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1F ZINC000600668109 673789872 /nfs/dbraw/zinc/78/98/72/673789872.db2.gz LQAQCVARCGZPHB-OAHLLOKOSA-N -1 1 360.382 2.358 20 30 FEEDMM N#Cc1cccc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000828223778 675807379 /nfs/dbraw/zinc/80/73/79/675807379.db2.gz ZTZURTJHNCBDMI-JTQLQIEISA-N -1 1 356.304 2.361 20 30 FEEDMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc21 ZINC000619461361 676377586 /nfs/dbraw/zinc/37/75/86/676377586.db2.gz QXXISPKGKRGRPX-UHFFFAOYSA-N -1 1 355.419 2.462 20 30 FEEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ncccc1Br ZINC000656980478 677898198 /nfs/dbraw/zinc/89/81/98/677898198.db2.gz WVAVRXUQWNFAPY-ZYHUDNBSSA-N -1 1 361.261 2.104 20 30 FEEDMM C=CCCC(C)(C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000660143577 678294423 /nfs/dbraw/zinc/29/44/23/678294423.db2.gz VFCRHMAYDRFKSW-UHFFFAOYSA-N -1 1 364.464 2.220 20 30 FEEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(F)cc1Br ZINC000763176644 680775132 /nfs/dbraw/zinc/77/51/32/680775132.db2.gz SHCNWBINMNNWCG-UHFFFAOYSA-N -1 1 365.166 2.170 20 30 FEEDMM O=C(NCc1c(F)c(F)cc(F)c1F)[C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000674544884 679493994 /nfs/dbraw/zinc/49/39/94/679493994.db2.gz OWQKMMCHKJUVMU-ANLVUFKYSA-N -1 1 372.240 2.316 20 30 FEEDMM C=CCSc1ccccc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000830953718 679899931 /nfs/dbraw/zinc/89/99/31/679899931.db2.gz YEVHKXAWPRYXJA-UHFFFAOYSA-N -1 1 357.435 2.463 20 30 FEEDMM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1 ZINC000831502528 679994163 /nfs/dbraw/zinc/99/41/63/679994163.db2.gz SFONBIXBZBDZII-CYBMUJFWSA-N -1 1 365.455 2.334 20 30 FEEDMM N#CC1(CC(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000834475739 680232271 /nfs/dbraw/zinc/23/22/71/680232271.db2.gz BVALNLCAYCPNIO-UHFFFAOYSA-N -1 1 353.216 2.481 20 30 FEEDMM O=C1Nc2ccc([N+](=O)[O-])cc2C1=N[N-]c1ccc(C(F)(F)F)nn1 ZINC000754710214 680372382 /nfs/dbraw/zinc/37/23/82/680372382.db2.gz ITKSMODOHMTRRW-UHFFFAOYSA-N -1 1 352.232 2.172 20 30 FEEDMM CC1(C)CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000755890306 680442923 /nfs/dbraw/zinc/44/29/23/680442923.db2.gz UFLCNKJEFHBLNF-UHFFFAOYSA-N -1 1 355.416 2.348 20 30 FEEDMM C#CCOc1cccc([C@H](C)OC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1 ZINC000756551287 680484719 /nfs/dbraw/zinc/48/47/19/680484719.db2.gz LDCFGSDXQKSQDT-LBPRGKRZSA-N -1 1 363.391 2.118 20 30 FEEDMM Cc1ncc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000757891232 680541085 /nfs/dbraw/zinc/54/10/85/680541085.db2.gz OQFRGERUJVNZMW-HNNXBMFYSA-N -1 1 364.377 2.291 20 30 FEEDMM Cn1c2ccccc2nc1C(C#N)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000759417236 680648086 /nfs/dbraw/zinc/64/80/86/680648086.db2.gz ALVAKDJRFYUSCJ-SECBINFHSA-N -1 1 352.316 2.207 20 30 FEEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)ccc1C#N ZINC000766546930 680880855 /nfs/dbraw/zinc/88/08/55/680880855.db2.gz FIYFGDUMIHECPV-UHFFFAOYSA-N -1 1 357.391 2.023 20 30 FEEDMM CCc1noc(C)c1C(C)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000769821149 680996363 /nfs/dbraw/zinc/99/63/63/680996363.db2.gz UBXXZGSPFFFHCY-UHFFFAOYSA-N -1 1 352.372 2.156 20 30 FEEDMM C#C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000843639399 681012895 /nfs/dbraw/zinc/01/28/95/681012895.db2.gz RDGNXGYALCTDJA-AWEZNQCLSA-N -1 1 360.435 2.461 20 30 FEEDMM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc1C ZINC000774054694 681166587 /nfs/dbraw/zinc/16/65/87/681166587.db2.gz LQLFYJFUZYYBAT-LBPRGKRZSA-N -1 1 357.391 2.492 20 30 FEEDMM C=C[C@H](C)O[N-]C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000846546618 681258242 /nfs/dbraw/zinc/25/82/42/681258242.db2.gz DIFOPZLWGJGSJK-STQMWFEESA-N -1 1 352.818 2.190 20 30 FEEDMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N)N1CCCCC1 ZINC000778600503 681628516 /nfs/dbraw/zinc/62/85/16/681628516.db2.gz RMJGBTBRXBTZSB-QGZVFWFLSA-N -1 1 363.483 2.015 20 30 FEEDMM CCN(CCC#N)C(=O)COC(=O)c1ccc(Br)c([O-])c1 ZINC000778827000 681653274 /nfs/dbraw/zinc/65/32/74/681653274.db2.gz HDJLZBTUUDUVLO-UHFFFAOYSA-N -1 1 355.188 2.074 20 30 FEEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000914600788 685508789 /nfs/dbraw/zinc/50/87/89/685508789.db2.gz XJXKUKBRLYJBLM-UHFFFAOYSA-N -1 1 354.391 2.052 20 30 FEEDMM O=S(=O)(NN=Cc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000916268560 685523047 /nfs/dbraw/zinc/52/30/47/685523047.db2.gz SBMNANKYDWGIHV-UHFFFAOYSA-N -1 1 355.213 2.467 20 30 FEEDMM COC[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000785000174 682266370 /nfs/dbraw/zinc/26/63/70/682266370.db2.gz OSYGAPOLLZRQPI-OAHLLOKOSA-N -1 1 360.391 2.183 20 30 FEEDMM COC[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000785000172 682266372 /nfs/dbraw/zinc/26/63/72/682266372.db2.gz OSYGAPOLLZRQPI-HNNXBMFYSA-N -1 1 360.391 2.183 20 30 FEEDMM COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000918060759 685536892 /nfs/dbraw/zinc/53/68/92/685536892.db2.gz HLKDWSDIDSLSRB-OAHLLOKOSA-N -1 1 356.419 2.048 20 30 FEEDMM CCCCC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)OC ZINC000790859498 682707691 /nfs/dbraw/zinc/70/76/91/682707691.db2.gz QJVGPCIUCZCWIU-HNNXBMFYSA-N -1 1 356.419 2.239 20 30 FEEDMM C=C(CO)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000791325864 682734822 /nfs/dbraw/zinc/73/48/22/682734822.db2.gz VCSPDKAZFAMDHA-UHFFFAOYSA-N -1 1 350.371 2.114 20 30 FEEDMM CC(Cc1ccccc1C(F)(F)F)N=Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000794857621 683000136 /nfs/dbraw/zinc/00/01/36/683000136.db2.gz UPQVHJNHKYCKKK-UHFFFAOYSA-N -1 1 350.304 2.481 20 30 FEEDMM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795955615 683112287 /nfs/dbraw/zinc/11/22/87/683112287.db2.gz RNEIFXNUFAWAQO-ZETCQYMHSA-N -1 1 365.180 2.187 20 30 FEEDMM COC(=O)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)[n-]1 ZINC000796345523 683155024 /nfs/dbraw/zinc/15/50/24/683155024.db2.gz NMPNUWSRONUHFF-UHFFFAOYSA-N -1 1 361.741 2.122 20 30 FEEDMM CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cnn(C)c1 ZINC000921850102 683591350 /nfs/dbraw/zinc/59/13/50/683591350.db2.gz QTYSPKGGTKYOGM-AWEZNQCLSA-N -1 1 354.382 2.246 20 30 FEEDMM C#CC[C@@H](CCOC)NC(=O)c1ccc(I)c([O-])c1 ZINC000863783220 683772844 /nfs/dbraw/zinc/77/28/44/683772844.db2.gz KROQQNMPZQGQPP-NSHDSACASA-N -1 1 373.190 2.155 20 30 FEEDMM Cn1nc2c(c1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1F)CCCC2 ZINC000872008280 684913307 /nfs/dbraw/zinc/91/33/07/684913307.db2.gz HZMVFIFCRRDIPQ-UHFFFAOYSA-N -1 1 352.366 2.250 20 30 FEEDMM CO[C@H](CS(=O)(=O)[N-]c1cc(C#N)c(F)cc1F)C1CCOCC1 ZINC000872008388 684913316 /nfs/dbraw/zinc/91/33/16/684913316.db2.gz KBGFXRZICOQJCS-OAHLLOKOSA-N -1 1 360.382 2.020 20 30 FEEDMM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882041662 687291270 /nfs/dbraw/zinc/29/12/70/687291270.db2.gz CJOSCXQRWBSLTI-QMMMGPOBSA-N -1 1 358.769 2.217 20 30 FEEDMM CCc1nn(C)cc1S(=O)(=O)[N-][C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000882505485 687380409 /nfs/dbraw/zinc/38/04/09/687380409.db2.gz KSFYQINDRJCAKN-AWEZNQCLSA-N -1 1 372.372 2.436 20 30 FEEDMM C[C@@](O)(Cn1ccccc1=O)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900095619 690471339 /nfs/dbraw/zinc/47/13/39/690471339.db2.gz HCDKJBHHOJMUKG-MRXNPFEDSA-N -1 1 371.220 2.324 20 30 FEEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)cc1 ZINC000901668619 690676254 /nfs/dbraw/zinc/67/62/54/690676254.db2.gz GLSLNDQIUPDBBK-UHFFFAOYSA-N -1 1 358.419 2.161 20 30 FEEDMM C=C[C@H](C)NS(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000907038631 691376899 /nfs/dbraw/zinc/37/68/99/691376899.db2.gz LZRAIXWCYWQFRX-NSHDSACASA-N -1 1 364.389 2.151 20 30 FEEDMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(C#N)cc2)c(=O)[n-]1 ZINC000026125246 539777288 /nfs/dbraw/zinc/77/72/88/539777288.db2.gz YHXANAAPVRWFSN-LLVKDONJSA-N -1 1 356.451 2.482 20 30 FEEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 ZINC000030531765 539883934 /nfs/dbraw/zinc/88/39/34/539883934.db2.gz CAPCQXVWIDWDNX-QGZVFWFLSA-N -1 1 371.418 2.477 20 30 FEEDMM C=CCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000055621229 540664224 /nfs/dbraw/zinc/66/42/24/540664224.db2.gz RHICKAXUTGPGFB-UHFFFAOYSA-N -1 1 366.464 2.294 20 30 FEEDMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000063878459 541190704 /nfs/dbraw/zinc/19/07/04/541190704.db2.gz HXCJUNFMCCNYDV-UHFFFAOYSA-N -1 1 357.435 2.346 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(N)=O)cc2)cc1Cl ZINC000067124142 541420458 /nfs/dbraw/zinc/42/04/58/541420458.db2.gz NMXWLJYFQKSIMD-UHFFFAOYSA-N -1 1 364.814 2.181 20 30 FEEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(CC#N)C2CCCC2)o1 ZINC000078207889 542448584 /nfs/dbraw/zinc/44/85/84/542448584.db2.gz FLLDINDEZRVDME-UHFFFAOYSA-N -1 1 353.444 2.265 20 30 FEEDMM CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055576418 324781594 /nfs/dbraw/zinc/78/15/94/324781594.db2.gz RAAKXRIPVPOQKH-UHFFFAOYSA-N -1 1 370.839 2.416 20 30 FEEDMM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000124151155 326448604 /nfs/dbraw/zinc/44/86/04/326448604.db2.gz RAVRMFHEIYYJCT-UHFFFAOYSA-N -1 1 365.361 2.273 20 30 FEEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)cc3C#N)CCCC2)no1 ZINC000156466218 326832043 /nfs/dbraw/zinc/83/20/43/326832043.db2.gz OYCWPLPXRGKTGP-UHFFFAOYSA-N -1 1 350.375 2.137 20 30 FEEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2nncn2C)cc1 ZINC000172590186 327209968 /nfs/dbraw/zinc/20/99/68/327209968.db2.gz UTKJSVZKFUFVJH-UHFFFAOYSA-N -1 1 353.407 2.463 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)c2cc(Cl)cc(Cl)c2)o1 ZINC000805013646 674312808 /nfs/dbraw/zinc/31/28/08/674312808.db2.gz YTRYNZWSIRWNHI-GFCCVEGCSA-N -1 1 361.206 2.470 20 30 FEEDMM C[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000165772134 546153718 /nfs/dbraw/zinc/15/37/18/546153718.db2.gz ZHWNUUUDCBOSIC-JTQLQIEISA-N -1 1 350.375 2.160 20 30 FEEDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)[C@H](C)CC ZINC000481068550 561224346 /nfs/dbraw/zinc/22/43/46/561224346.db2.gz ILDUSWZTCYHBCF-ABAIWWIYSA-N -1 1 356.419 2.095 20 30 FEEDMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)o1 ZINC000183902098 547736712 /nfs/dbraw/zinc/73/67/12/547736712.db2.gz XKSKFVVTXAPGAA-UHFFFAOYSA-N -1 1 367.471 2.416 20 30 FEEDMM C=CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000185925848 548059879 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Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)cc1 ZINC000476205823 561113222 /nfs/dbraw/zinc/11/32/22/561113222.db2.gz WKENBCXDYGAGII-UHFFFAOYSA-N -1 1 350.421 2.093 20 30 FEEDMM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477034703 561134678 /nfs/dbraw/zinc/13/46/78/561134678.db2.gz ZFHMEAWHJWDITF-UHFFFAOYSA-N -1 1 353.304 2.202 20 30 FEEDMM CCC(C#N)(CC)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000528954254 562354288 /nfs/dbraw/zinc/35/42/88/562354288.db2.gz SRXOCYLQQXMQKG-UHFFFAOYSA-N -1 1 351.428 2.101 20 30 FEEDMM COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1C#N ZINC000737082287 599129411 /nfs/dbraw/zinc/12/94/11/599129411.db2.gz GZLXUAJOEWHNSE-UHFFFAOYSA-N -1 1 352.358 2.304 20 30 FEEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(OCCCC#N)c2)o1 ZINC000737467504 598363541 /nfs/dbraw/zinc/36/35/41/598363541.db2.gz QYDUMGLRFUUQAG-UHFFFAOYSA-N -1 1 352.358 2.292 20 30 FEEDMM COCCC(Cc1cccc(F)c1)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000736979278 598787532 /nfs/dbraw/zinc/78/75/32/598787532.db2.gz 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/nfs/dbraw/zinc/10/11/94/328101194.db2.gz UTNNRVXUIZBFDY-CQSZACIVSA-N -1 1 356.403 2.439 20 30 FEEDMM CCc1cc(N2CCC(NC(=O)c3ccc(C#N)c([O-])c3)CC2)ncn1 ZINC000188613258 328098774 /nfs/dbraw/zinc/09/87/74/328098774.db2.gz OOAKHUJPGDGEAS-UHFFFAOYSA-N -1 1 351.410 2.015 20 30 FEEDMM N#Cc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1[O-] ZINC000189928277 328176708 /nfs/dbraw/zinc/17/67/08/328176708.db2.gz XNDADBZESZKGDA-GOSISDBHSA-N -1 1 351.406 2.067 20 30 FEEDMM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000124245379 326450414 /nfs/dbraw/zinc/45/04/14/326450414.db2.gz BZRZNJSZXHXFGA-UHFFFAOYSA-N -1 1 365.361 2.273 20 30 FEEDMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000178809473 327608319 /nfs/dbraw/zinc/60/83/19/327608319.db2.gz HQRRAFHUQRQNCL-UHFFFAOYSA-N -1 1 352.343 2.495 20 30 FEEDMM C=CCSCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805048072 674315173 /nfs/dbraw/zinc/31/51/73/674315173.db2.gz JECJAFIRVONFAD-SRVKXCTJSA-N -1 1 367.437 2.393 20 30 FEEDMM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000805070189 674316690 /nfs/dbraw/zinc/31/66/90/674316690.db2.gz GSJORHXHJRMXEH-WCQYABFASA-N -1 1 369.443 2.075 20 30 FEEDMM CCN(C(=O)OC(C)(C)C)[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000805085895 674318031 /nfs/dbraw/zinc/31/80/31/674318031.db2.gz UWCBTZUUBRZKGW-LLVKDONJSA-N -1 1 357.432 2.075 20 30 FEEDMM Cc1nc([C@H]([N-]S(=O)(=O)CC2(C#N)CC2)c2ccc(Cl)cc2)no1 ZINC000166251235 546156220 /nfs/dbraw/zinc/15/62/20/546156220.db2.gz RIRCWLIBAXOIMW-CYBMUJFWSA-N -1 1 366.830 2.344 20 30 FEEDMM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000270456518 550274668 /nfs/dbraw/zinc/27/46/68/550274668.db2.gz DWNRAUIPFSFCPO-SECBINFHSA-N -1 1 369.258 2.436 20 30 FEEDMM C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cccnc1C#N ZINC000277189897 550641489 /nfs/dbraw/zinc/64/14/89/550641489.db2.gz OMFYDPVRJGKJOE-DOTOQJQBSA-N -1 1 370.478 2.142 20 30 FEEDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000284599313 551586735 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N#Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2=O)cc1 ZINC000363551546 555135041 /nfs/dbraw/zinc/13/50/41/555135041.db2.gz PZQYOAVPGGDWLA-UHFFFAOYSA-N -1 1 369.808 2.402 20 30 FEEDMM O=C(NCc1c(F)cc(F)c(F)c1F)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000369875740 556718831 /nfs/dbraw/zinc/71/88/31/556718831.db2.gz WNQFQJGBVJNYJE-MLUIRONXSA-N -1 1 372.240 2.316 20 30 FEEDMM N#Cc1ccc(C2=CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000370497465 556891172 /nfs/dbraw/zinc/89/11/72/556891172.db2.gz CASPKRKIPSZNFH-UHFFFAOYSA-N -1 1 350.334 2.497 20 30 FEEDMM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NS(=O)(=O)c1cccc(C)c1C#N ZINC000375611991 558056918 /nfs/dbraw/zinc/05/69/18/558056918.db2.gz LMRXVDIDBHHSMR-UHFFFAOYSA-N -1 1 369.406 2.467 20 30 FEEDMM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000376353559 558161997 /nfs/dbraw/zinc/16/19/97/558161997.db2.gz YWHUPIHSZGTPDB-GOEBONIOSA-N -1 1 367.377 2.153 20 30 FEEDMM CC(C)(CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000424401121 559663252 /nfs/dbraw/zinc/66/32/52/559663252.db2.gz YBJYXGYAINYNJX-UHFFFAOYSA-N -1 1 372.469 2.276 20 30 FEEDMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427303857 559752732 /nfs/dbraw/zinc/75/27/32/559752732.db2.gz DZAJZGISILNQLP-JOCHJYFZSA-N -1 1 352.412 2.377 20 30 FEEDMM CN(C)c1nc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc(=O)[n-]1 ZINC000433974423 559891753 /nfs/dbraw/zinc/89/17/53/559891753.db2.gz OBISEWVQFMHJRV-GFCCVEGCSA-N -1 1 365.315 2.262 20 30 FEEDMM C=CCC[C@@H](NC(=O)N1CCN(c2nc(=N)[n-]s2)CC1)c1ccccc1 ZINC000435765425 559929814 /nfs/dbraw/zinc/92/98/14/559929814.db2.gz VTCXRFQVKBWQDY-OAHLLOKOSA-N -1 1 372.498 2.659 20 30 FEEDMM COc1cc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)ccc1OCCO ZINC000443050389 560068057 /nfs/dbraw/zinc/06/80/57/560068057.db2.gz MMWPDZYWSVTTGR-LBPRGKRZSA-N -1 1 356.378 2.135 20 30 FEEDMM CC#CCCCC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000447684886 560166943 /nfs/dbraw/zinc/16/69/43/560166943.db2.gz FQYSJFMDKSODGI-UHFFFAOYSA-N -1 1 354.410 2.458 20 30 FEEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000469093079 560947000 /nfs/dbraw/zinc/94/70/00/560947000.db2.gz YJYZDEDKLMDISJ-UHFFFAOYSA-N -1 1 372.406 2.236 20 30 FEEDMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000534094545 562525084 /nfs/dbraw/zinc/52/50/84/562525084.db2.gz XQDFQMPKUVNQLR-SECBINFHSA-N -1 1 369.258 2.436 20 30 FEEDMM C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)N1CCC(Cc2ccccc2)CC1 ZINC000569434790 568402296 /nfs/dbraw/zinc/40/22/96/568402296.db2.gz ZHBHDZWAGUUMDQ-AWEZNQCLSA-N -1 1 362.437 2.435 20 30 FEEDMM C#Cc1cccc(N(CC)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000735390918 598844394 /nfs/dbraw/zinc/84/43/94/598844394.db2.gz ISOYENXQQHNXCJ-UHFFFAOYSA-N -1 1 371.397 2.202 20 30 FEEDMM C#Cc1cccc(N(CC)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000735390918 598844396 /nfs/dbraw/zinc/84/43/96/598844396.db2.gz ISOYENXQQHNXCJ-UHFFFAOYSA-N -1 1 371.397 2.202 20 30 FEEDMM COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000738134580 600132731 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C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739088348 602768116 /nfs/dbraw/zinc/76/81/16/602768116.db2.gz IUJYFCRWCUWDKX-UGLNBPRTSA-N -1 1 364.490 2.284 20 30 FEEDMM C#CC[C@@H](NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000833361077 605134181 /nfs/dbraw/zinc/13/41/81/605134181.db2.gz WCXIBUQNDHIKCM-WOJBJXKFSA-N -1 1 362.429 2.379 20 30 FEEDMM CC(N=Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1OCC(=O)[O-] ZINC000833387273 605326325 /nfs/dbraw/zinc/32/63/25/605326325.db2.gz ZRFHAJJYYTZCHK-UHFFFAOYSA-N -1 1 362.407 2.390 20 30 FEEDMM N#Cc1ccc(-c2nnc(CN3C[C@@H]4CCC[C@H](NC(=O)[O-])[C@@H]4C3)o2)cc1 ZINC000833973651 605430502 /nfs/dbraw/zinc/43/05/02/605430502.db2.gz BSNCRTHNDWTSSY-XHSDSOJGSA-N -1 1 367.409 2.476 20 30 FEEDMM N#CC(C(=O)CCC1CCN(C(=O)[O-])CC1)c1nnc2n1CCCCC2 ZINC000833959908 606084103 /nfs/dbraw/zinc/08/41/03/606084103.db2.gz DTRVMPKEYDNMKZ-CQSZACIVSA-N -1 1 359.430 2.351 20 30 FEEDMM CN=c1scc(-c2oc(C)nc2C)n1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821630406 606989403 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Cn1c2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2oc1=O ZINC000170664269 546169698 /nfs/dbraw/zinc/16/96/98/546169698.db2.gz USZGGULPFMEZHG-UHFFFAOYSA-N -1 1 363.782 2.457 20 30 FEEDMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)[C@H](C)CC ZINC000481068551 561224299 /nfs/dbraw/zinc/22/42/99/561224299.db2.gz ILDUSWZTCYHBCF-IAQYHMDHSA-N -1 1 356.419 2.095 20 30 FEEDMM N#CCCC[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC000487451167 561370081 /nfs/dbraw/zinc/37/00/81/561370081.db2.gz WLFGKOXLTUNPBW-HNNXBMFYSA-N -1 1 352.394 2.068 20 30 FEEDMM CC[C@]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)(C(=O)OC)c1ccccc1 ZINC000489192945 561405330 /nfs/dbraw/zinc/40/53/30/561405330.db2.gz DYTINRAINKOTRX-GOSISDBHSA-N -1 1 373.434 2.019 20 30 FEEDMM CSc1nc(C)c(CCC(=O)N(CCC#N)Cc2ccccn2)c(=O)[n-]1 ZINC000264062115 549974421 /nfs/dbraw/zinc/97/44/21/549974421.db2.gz MEVJAACXAYFMKQ-UHFFFAOYSA-N -1 1 371.466 2.483 20 30 FEEDMM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)CC2(C#N)CC2)n1 ZINC000274219564 550528208 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CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1C#N ZINC000814822519 674882117 /nfs/dbraw/zinc/88/21/17/674882117.db2.gz QLYCTFZLWLNMAR-UHFFFAOYSA-N -1 1 358.379 2.310 20 30 FEEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1COc2ccc(Cl)cc21 ZINC000814865685 674885595 /nfs/dbraw/zinc/88/55/95/674885595.db2.gz WIKWFYUOXVORCY-UHFFFAOYSA-N -1 1 367.770 2.323 20 30 FEEDMM C=CCCS(=O)(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817149374 675105516 /nfs/dbraw/zinc/10/55/16/675105516.db2.gz DNUZJBLNKIIRIF-GFCCVEGCSA-N -1 1 362.373 2.002 20 30 FEEDMM C=CC[C@@H](CO)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000569634235 670589184 /nfs/dbraw/zinc/58/91/84/670589184.db2.gz NXEOGNNUSJHFIS-VIFPVBQESA-N -1 1 351.200 2.370 20 30 FEEDMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000608858197 675905821 /nfs/dbraw/zinc/90/58/21/675905821.db2.gz PFXUSMLCJZIVKW-SSDOTTSWSA-N -1 1 360.317 2.308 20 30 FEEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C(=O)OCC ZINC000592054998 672743542 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C[C@@](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)(C(=O)[O-])C1CC1 ZINC000827729240 601030960 /nfs/dbraw/zinc/03/09/60/601030960.db2.gz YHZBZWMSWMEQND-KRWDZBQOSA-N -1 1 368.355 2.016 20 30 FEEDMM COc1cc(OC)c(OC)cc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832034611 601298490 /nfs/dbraw/zinc/29/84/90/601298490.db2.gz ZVEOHRNPDKFLNM-GOSISDBHSA-N -1 1 356.378 2.500 20 30 FEEDMM N#Cc1c(NC(=O)CCN2CC[C@](F)(C(=O)[O-])C2)sc2c1CCCC2 ZINC000833067954 601555322 /nfs/dbraw/zinc/55/53/22/601555322.db2.gz KBYVZSQXDTZNJJ-QGZVFWFLSA-N -1 1 365.430 2.326 20 30 FEEDMM N#Cc1cc([O-])cc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000809712119 674506753 /nfs/dbraw/zinc/50/67/53/674506753.db2.gz CIBBNPWZXFMOBH-GOEBONIOSA-N -1 1 358.419 2.290 20 30 FEEDMM N#Cc1ccc(-c2nnc(CN3C[C@@H]4CCC[C@@H](NC(=O)[O-])[C@H]4C3)o2)cc1 ZINC000833973645 605430860 /nfs/dbraw/zinc/43/08/60/605430860.db2.gz BSNCRTHNDWTSSY-HRCADAONSA-N -1 1 367.409 2.476 20 30 FEEDMM C[C@@H](COc1cccc(C#N)c1)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820292738 606177988 /nfs/dbraw/zinc/17/79/88/606177988.db2.gz FZOGXLLOECJPIG-JTQLQIEISA-N -1 1 355.379 2.424 20 30 FEEDMM C[C@@H](COc1cccc(C#N)c1)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820292738 606177986 /nfs/dbraw/zinc/17/79/86/606177986.db2.gz FZOGXLLOECJPIG-JTQLQIEISA-N -1 1 355.379 2.424 20 30 FEEDMM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823396983 606191905 /nfs/dbraw/zinc/19/19/05/606191905.db2.gz PWLORNSEFNZJKM-UHFFFAOYSA-N -1 1 373.294 2.489 20 30 FEEDMM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823396983 606191907 /nfs/dbraw/zinc/19/19/07/606191907.db2.gz PWLORNSEFNZJKM-UHFFFAOYSA-N -1 1 373.294 2.489 20 30 FEEDMM Cc1cc(C)n(N=Cc2cnc(C3CCC3)s2)c(=O)c1-c1nn[n-]n1 ZINC000822199036 607146851 /nfs/dbraw/zinc/14/68/51/607146851.db2.gz TYDSCWMPFTUUDJ-UHFFFAOYSA-N -1 1 355.427 2.251 20 30 FEEDMM C#CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823839037 607937683 /nfs/dbraw/zinc/93/76/83/607937683.db2.gz YVFZRLRBWLQMRL-OAHLLOKOSA-N -1 1 371.397 2.049 20 30 FEEDMM N#Cc1ccc(C2=CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000826384656 608442480 /nfs/dbraw/zinc/44/24/80/608442480.db2.gz DLZVZRRBNXSNPE-UHFFFAOYSA-N -1 1 374.364 2.335 20 30 FEEDMM N#Cc1ccc(C2=CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000826384656 608442481 /nfs/dbraw/zinc/44/24/81/608442481.db2.gz DLZVZRRBNXSNPE-UHFFFAOYSA-N -1 1 374.364 2.335 20 30 FEEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824385358 608893730 /nfs/dbraw/zinc/89/37/30/608893730.db2.gz RHOGYCAADQWAFH-LLVKDONJSA-N -1 1 368.426 2.096 20 30 FEEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824385358 608893732 /nfs/dbraw/zinc/89/37/32/608893732.db2.gz RHOGYCAADQWAFH-LLVKDONJSA-N -1 1 368.426 2.096 20 30 FEEDMM Cc1cccc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)c1OC(F)F ZINC000826297418 609304132 /nfs/dbraw/zinc/30/41/32/609304132.db2.gz GZTVWHFNYQSXQF-UHFFFAOYSA-N -1 1 374.351 2.437 20 30 FEEDMM C#C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000811491339 674608406 /nfs/dbraw/zinc/60/84/06/674608406.db2.gz HKFQBBZAFFUFIO-LBPRGKRZSA-N -1 1 363.266 2.046 20 30 FEEDMM CC[C@](C)(C#N)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000563181694 674855200 /nfs/dbraw/zinc/85/52/00/674855200.db2.gz GFWICWCBVOMFED-CYBMUJFWSA-N -1 1 364.254 2.080 20 30 FEEDMM O=c1nc(NN=C2CCc3sc(Br)cc32)nc2[nH][n-]cc1-2 ZINC000814842873 674883748 /nfs/dbraw/zinc/88/37/48/674883748.db2.gz HBXHHDIPCLORPU-UHFFFAOYSA-N -1 1 365.216 2.018 20 30 FEEDMM CC(=NNc1cnn(C)c1)c1cc(Br)ccc1OCC(=O)[O-] ZINC000814915270 674887885 /nfs/dbraw/zinc/88/78/85/674887885.db2.gz SBXHOCXQWRFKSU-UHFFFAOYSA-N -1 1 367.203 2.482 20 30 FEEDMM O=C(Nc1nc(C=C([O-])NC2=NCCS2)cs1)c1cccs1 ZINC000015422803 670011937 /nfs/dbraw/zinc/01/19/37/670011937.db2.gz UYDQAVNPVYRBEL-UHFFFAOYSA-N -1 1 352.466 2.218 20 30 FEEDMM C#Cc1cccc(N(CC)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000094106370 670757145 /nfs/dbraw/zinc/75/71/45/670757145.db2.gz ITIZDUBOPDLCLD-UHFFFAOYSA-N -1 1 358.419 2.412 20 30 FEEDMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000592073506 672747845 /nfs/dbraw/zinc/74/78/45/672747845.db2.gz DZZQLNLJDXACFL-AWEZNQCLSA-N -1 1 356.419 2.095 20 30 FEEDMM CCCCCCCS(=O)(=O)[N-]c1cc(C)nc(N2CCOCC2)n1 ZINC000194808118 672768536 /nfs/dbraw/zinc/76/85/36/672768536.db2.gz RBCIUGJXJUCZSA-UHFFFAOYSA-N -1 1 356.492 2.334 20 30 FEEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594487245 673090524 /nfs/dbraw/zinc/09/05/24/673090524.db2.gz LYYFSIVLMZNVCM-YPMHNXCESA-N -1 1 366.336 2.476 20 30 FEEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CC#N)C2)o1 ZINC000597913622 673517735 /nfs/dbraw/zinc/51/77/35/673517735.db2.gz NYJVGWBKLPOBQR-LBPRGKRZSA-N -1 1 353.444 2.122 20 30 FEEDMM N#Cc1c(F)cccc1S(=O)(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000739671405 673634291 /nfs/dbraw/zinc/63/42/91/673634291.db2.gz BPTWBFLLBBQIAT-UHFFFAOYSA-N -1 1 364.354 2.352 20 30 FEEDMM C[C@@H]1CCN(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000543911691 673678281 /nfs/dbraw/zinc/67/82/81/673678281.db2.gz AYMHKHBOHPLAOC-LLVKDONJSA-N -1 1 365.846 2.396 20 30 FEEDMM C[C@H]1CCC[C@@](NS(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)[O-])C1 ZINC000548836394 674000131 /nfs/dbraw/zinc/00/01/31/674000131.db2.gz CXXQWRAWIMDZRZ-VFZGTOFNSA-N -1 1 358.366 2.148 20 30 FEEDMM N#Cc1ccc(N2C[C@H](C(=O)[N-]OCC(F)(F)F)CC2=O)cc1Cl ZINC000827035548 675724654 /nfs/dbraw/zinc/72/46/54/675724654.db2.gz PVGIQONPYHZCGB-SECBINFHSA-N -1 1 361.707 2.175 20 30 FEEDMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461429 676377572 /nfs/dbraw/zinc/37/75/72/676377572.db2.gz BNZLQJWGWFIVRQ-UHFFFAOYSA-N -1 1 364.448 2.265 20 30 FEEDMM COc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1NC(N)=O ZINC000619463979 676378019 /nfs/dbraw/zinc/37/80/19/676378019.db2.gz RAHHHIKINHMBAB-UHFFFAOYSA-N -1 1 360.395 2.053 20 30 FEEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=CC1=Cc2ccccc2OC1 ZINC000748253843 679945946 /nfs/dbraw/zinc/94/59/46/679945946.db2.gz STBRUIACSIRPAE-UHFFFAOYSA-N -1 1 359.363 2.335 20 30 FEEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCCc2cc(O)ccc21 ZINC000748255162 679946058 /nfs/dbraw/zinc/94/60/58/679946058.db2.gz OCQKLEHSTFUZLP-UHFFFAOYSA-N -1 1 361.379 2.319 20 30 FEEDMM CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([N-]C(=O)C(F)F)C2)CC(F)(F)C1 ZINC001008764233 679953774 /nfs/dbraw/zinc/95/37/74/679953774.db2.gz HOQQJVZJXNZIKM-RNFRBKRXSA-N -1 1 364.261 2.192 20 30 FEEDMM CC(=NN[C@H](C)CO)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000749815109 680076623 /nfs/dbraw/zinc/07/66/23/680076623.db2.gz UNXOQXHAJHODER-CQSZACIVSA-N -1 1 361.467 2.490 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)cn1 ZINC000751271941 680164783 /nfs/dbraw/zinc/16/47/83/680164783.db2.gz KGCKLFGZNZDJBV-UHFFFAOYSA-N -1 1 360.370 2.020 20 30 FEEDMM C=CCO[N-]C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000837043561 680546066 /nfs/dbraw/zinc/54/60/66/680546066.db2.gz PYQYVACFONFDFK-NSHDSACASA-N -1 1 353.216 2.344 20 30 FEEDMM COc1ccc(-n2c(C)cc(C=Nn3c(=O)cn[n-]c3=S)c2C)cc1 ZINC000766482386 680878658 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FEEDMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C#N)CC(C)C)c(F)cc1Cl ZINC000795564625 683067735 /nfs/dbraw/zinc/06/77/35/683067735.db2.gz RYSCMXBGTJYWEA-VIFPVBQESA-N -1 1 362.810 2.482 20 30 FEEDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)CN1C(=O)OC(C)(C)C ZINC000859347702 683090053 /nfs/dbraw/zinc/09/00/53/683090053.db2.gz SJMJEEFJCXUYQZ-VXGBXAGGSA-N -1 1 369.443 2.218 20 30 FEEDMM N#Cc1cccc(CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000799024305 683415463 /nfs/dbraw/zinc/41/54/63/683415463.db2.gz QZYOBEKAUHBIQE-UHFFFAOYSA-N -1 1 353.344 2.018 20 30 FEEDMM N#Cc1cc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)ccc1Cl ZINC000921862388 683598514 /nfs/dbraw/zinc/59/85/14/683598514.db2.gz QUVLTJMRJXJTKA-PRHODGIISA-N -1 1 368.764 2.457 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]([C@H]2CCOC2)C(F)(F)F)cc1Cl ZINC000921863646 683599074 /nfs/dbraw/zinc/59/90/74/683599074.db2.gz XWFZSMNJTPNZDO-CABZTGNLSA-N -1 1 368.764 2.457 20 30 FEEDMM N#C[C@]1(NC(=O)c2ccc(I)cc2[O-])CCSC1 ZINC000865078051 683932690 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N#Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000184891482 547894954 /nfs/dbraw/zinc/89/49/54/547894954.db2.gz ONYZZWXVAISGDI-UHFFFAOYSA-N -1 1 353.403 2.194 20 30 FEEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3CC#N)ccc21 ZINC000193356453 548385454 /nfs/dbraw/zinc/38/54/54/548385454.db2.gz PUCOVHIUQXCBCU-UHFFFAOYSA-N -1 1 355.419 2.462 20 30 FEEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(CCC#N)CC1CC1 ZINC000264074071 549975471 /nfs/dbraw/zinc/97/54/71/549975471.db2.gz OQCHLUIYTBBFIT-UHFFFAOYSA-N -1 1 351.410 2.247 20 30 FEEDMM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000494437246 561469692 /nfs/dbraw/zinc/46/96/92/561469692.db2.gz BHQIOMNUUQRZDN-UHFFFAOYSA-N -1 1 370.839 2.416 20 30 FEEDMM COC(=O)C[C@](C)(NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(OC)c1 ZINC000495190336 561484053 /nfs/dbraw/zinc/48/40/53/561484053.db2.gz JPBQWQAYXSTAPS-FQEVSTJZSA-N -1 1 368.389 2.481 20 30 FEEDMM CC(C)C(=O)Nc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000496725654 561495464 /nfs/dbraw/zinc/49/54/64/561495464.db2.gz ZKWIIVDCONSOLG-CQSZACIVSA-N -1 1 366.425 2.484 20 30 FEEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000281621792 551121606 /nfs/dbraw/zinc/12/16/06/551121606.db2.gz XCHWVLIGGYSKMW-KBXCAEBGSA-N -1 1 368.437 2.193 20 30 FEEDMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000287372978 551995728 /nfs/dbraw/zinc/99/57/28/551995728.db2.gz MZHSZYPYPGGSAO-YPMHNXCESA-N -1 1 369.443 2.075 20 30 FEEDMM Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])ccc1C#N ZINC000327762842 553790951 /nfs/dbraw/zinc/79/09/51/553790951.db2.gz SIYGXSYOEJSWJG-UHFFFAOYSA-N -1 1 361.335 2.274 20 30 FEEDMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000327729555 553791039 /nfs/dbraw/zinc/79/10/39/553791039.db2.gz KBRULTZOTZNCPM-UHFFFAOYSA-N -1 1 360.391 2.219 20 30 FEEDMM C[C@@]1(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])CCCOC1 ZINC000329690929 553989883 /nfs/dbraw/zinc/98/98/83/553989883.db2.gz BTAOFMKYHBKOPP-MRXNPFEDSA-N -1 1 354.428 2.238 20 30 FEEDMM Cc1coc2ccc(NC(=O)N3CCN(c4nc(=N)[n-]s4)CC3)cc12 ZINC000330165462 554076813 /nfs/dbraw/zinc/07/68/13/554076813.db2.gz WZSHWLZYIHZHBT-UHFFFAOYSA-N -1 1 358.427 2.543 20 30 FEEDMM Cc1cnc(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c([O-])c1 ZINC000330227907 554089265 /nfs/dbraw/zinc/08/92/65/554089265.db2.gz PJUHOZIWCMPLAU-CQSZACIVSA-N -1 1 360.458 2.141 20 30 FEEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000509377910 561796849 /nfs/dbraw/zinc/79/68/49/561796849.db2.gz ZVDIHYLOXPZHAX-UHFFFAOYSA-N -1 1 355.419 2.469 20 30 FEEDMM C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000367362728 556028442 /nfs/dbraw/zinc/02/84/42/556028442.db2.gz ZCGSLAAFETUJCF-SHYRYGCCSA-N -1 1 374.489 2.009 20 30 FEEDMM N#Cc1ccsc1C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368501804 556328438 /nfs/dbraw/zinc/32/84/38/556328438.db2.gz JPLGWHFFSOSQSG-LLVKDONJSA-N -1 1 362.777 2.445 20 30 FEEDMM C=CC[C@H](CC)NC(=O)N1CCC[C@@H](c2[nH]ncc2NS(C)(=O)=O)C1 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BKZZERANGWIQAL-UHFFFAOYSA-N -1 1 357.370 2.387 20 30 FEEDMM COCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc(C(=O)OC)c1 ZINC000427342372 559753717 /nfs/dbraw/zinc/75/37/17/559753717.db2.gz NUEGFVIAGMOJQW-UHFFFAOYSA-N -1 1 360.391 2.292 20 30 FEEDMM N#CCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000429919452 559808711 /nfs/dbraw/zinc/80/87/11/559808711.db2.gz FFNLQROBZIAFGO-UHFFFAOYSA-N -1 1 374.216 2.329 20 30 FEEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)ccc1C#N ZINC000435717630 559928745 /nfs/dbraw/zinc/92/87/45/559928745.db2.gz PLGMPWJACULNKL-UHFFFAOYSA-N -1 1 357.370 2.387 20 30 FEEDMM CN1C(=O)C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000443064444 560068887 /nfs/dbraw/zinc/06/88/87/560068887.db2.gz OTHWCJQAXHRVEG-CRAIPNDOSA-N -1 1 371.343 2.244 20 30 FEEDMM COc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1[N-]S(C)(=O)=O ZINC000448681846 560193866 /nfs/dbraw/zinc/19/38/66/560193866.db2.gz OWXHSFZAXKUBEC-QGZVFWFLSA-N -1 1 363.439 2.479 20 30 FEEDMM COc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1[N-]S(C)(=O)=O ZINC000448681845 560194020 /nfs/dbraw/zinc/19/40/20/560194020.db2.gz OWXHSFZAXKUBEC-KRWDZBQOSA-N -1 1 363.439 2.479 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)o1 ZINC000452093382 560350797 /nfs/dbraw/zinc/35/07/97/560350797.db2.gz ULQAGSXTZRNNET-CQSZACIVSA-N -1 1 352.437 2.395 20 30 FEEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000456267370 560513717 /nfs/dbraw/zinc/51/37/17/560513717.db2.gz QRIVYZUYKBBMPR-YPMHNXCESA-N -1 1 373.190 2.460 20 30 FEEDMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 ZINC000461451875 560772064 /nfs/dbraw/zinc/77/20/64/560772064.db2.gz FXDZEWUBYGUCHR-CQSZACIVSA-N -1 1 373.434 2.326 20 30 FEEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)CC2 ZINC000471209056 561000499 /nfs/dbraw/zinc/00/04/99/561000499.db2.gz XTBXWXSVOWPOTQ-UHFFFAOYSA-N -1 1 355.419 2.296 20 30 FEEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCNC2=O)cc1 ZINC000475793900 561105507 /nfs/dbraw/zinc/10/55/07/561105507.db2.gz PACFBNPWTRSCHU-UHFFFAOYSA-N -1 1 356.407 2.083 20 30 FEEDMM CCn1cc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)c([N+](=O)[O-])n1 ZINC000533635636 562515080 /nfs/dbraw/zinc/51/50/80/562515080.db2.gz MAVKLIBYVWJETF-ZDUSSCGKSA-N -1 1 363.399 2.135 20 30 FEEDMM COC(=O)c1cccc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3F)[nH]c21 ZINC000540966363 562598756 /nfs/dbraw/zinc/59/87/56/562598756.db2.gz KOSCNIZUYZNXQF-UHFFFAOYSA-N -1 1 374.353 2.161 20 30 FEEDMM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736628207 598983095 /nfs/dbraw/zinc/98/30/95/598983095.db2.gz UHHFVWVKIHITJM-UHFFFAOYSA-N -1 1 370.756 2.405 20 30 FEEDMM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736628207 598983097 /nfs/dbraw/zinc/98/30/97/598983097.db2.gz UHHFVWVKIHITJM-UHFFFAOYSA-N -1 1 370.756 2.405 20 30 FEEDMM C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000819745532 599334542 /nfs/dbraw/zinc/33/45/42/599334542.db2.gz HUYYDOOURQOLBV-UHFFFAOYSA-N -1 1 373.413 2.383 20 30 FEEDMM C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000819745532 599334545 /nfs/dbraw/zinc/33/45/45/599334545.db2.gz HUYYDOOURQOLBV-UHFFFAOYSA-N -1 1 373.413 2.383 20 30 FEEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(F)c1 ZINC000760100023 601976693 /nfs/dbraw/zinc/97/66/93/601976693.db2.gz OKMYVTRQMIHULN-AWEZNQCLSA-N -1 1 366.345 2.331 20 30 FEEDMM C=CCC[C@H](O)CN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000825665069 602199271 /nfs/dbraw/zinc/19/92/71/602199271.db2.gz SXJLXAHIRLDSKJ-DLBZAZTESA-N -1 1 352.862 2.410 20 30 FEEDMM N#Cc1ccc(CN2CCCN(C(=O)C[C@H]3CCCN3C(=O)[O-])CC2)cc1 ZINC000831122384 603265366 /nfs/dbraw/zinc/26/53/66/603265366.db2.gz FUCSYUNRYWPFMN-GOSISDBHSA-N -1 1 370.453 2.125 20 30 FEEDMM C=CCOc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000823932343 607653813 /nfs/dbraw/zinc/65/38/13/607653813.db2.gz VHDRPNKVRNDBNR-UHFFFAOYSA-N -1 1 358.379 2.199 20 30 FEEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(N3CCCC3)cc2O)o1 ZINC000819781667 606237713 /nfs/dbraw/zinc/23/77/13/606237713.db2.gz CCTVDZHFTQGCCG-UHFFFAOYSA-N -1 1 368.401 2.305 20 30 FEEDMM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000826209455 608094931 /nfs/dbraw/zinc/09/49/31/608094931.db2.gz CIXHWUOZKVWTMO-UHFFFAOYSA-N -1 1 374.455 2.042 20 30 FEEDMM COCCn1nc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1C ZINC000826163779 608229274 /nfs/dbraw/zinc/22/92/74/608229274.db2.gz KVWJFYZDHSXHCL-XQRVVYSFSA-N -1 1 358.427 2.284 20 30 FEEDMM O=C([O-])c1ccc(O)c(C(=O)C=Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000826461975 608881688 /nfs/dbraw/zinc/88/16/88/608881688.db2.gz LBFLIXQXCCIXQZ-GORDUTHDSA-N -1 1 354.297 2.306 20 30 FEEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCc1n[n-]c(=S)n1C ZINC000067051241 670451803 /nfs/dbraw/zinc/45/18/03/670451803.db2.gz VIHQQIJPOHSMQG-HNNXBMFYSA-N -1 1 359.455 2.112 20 30 FEEDMM CSCC[C@](C)(C#N)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000579169952 671716757 /nfs/dbraw/zinc/71/67/57/671716757.db2.gz SQCBLOLTOCHSSO-OAHLLOKOSA-N -1 1 354.501 2.297 20 30 FEEDMM Cc1ccc(-c2cc(=NC(=O)N=c3cc(C)n(CCC#N)[nH]3)[nH][n-]2)s1 ZINC000581236744 671876709 /nfs/dbraw/zinc/87/67/09/671876709.db2.gz LUSRBDXPMBDMNX-UHFFFAOYSA-N -1 1 355.427 2.353 20 30 FEEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000610123230 675954987 /nfs/dbraw/zinc/95/49/87/675954987.db2.gz QHAJBWKFANFKIW-NSHDSACASA-N -1 1 357.391 2.387 20 30 FEEDMM N#CCc1ccc(CS(=O)(=O)[N-]c2cc([C@H]3CCCOC3)[nH]n2)cc1 ZINC000584529776 672197279 /nfs/dbraw/zinc/19/72/79/672197279.db2.gz YOTDQSWAPAUNSD-HNNXBMFYSA-N -1 1 360.439 2.312 20 30 FEEDMM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589195762 672513024 /nfs/dbraw/zinc/51/30/24/672513024.db2.gz JTUFWFJJNHCKPQ-OAHLLOKOSA-N -1 1 358.419 2.246 20 30 FEEDMM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593557114 672942048 /nfs/dbraw/zinc/94/20/48/672942048.db2.gz PAXYRXAFMWHNDH-XHDPSFHLSA-N -1 1 364.448 2.448 20 30 FEEDMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCc3nc(C)nn3C2)c(=O)[n-]1 ZINC000328883545 673068758 /nfs/dbraw/zinc/06/87/58/673068758.db2.gz XYJFLTYGERZBIC-LLVKDONJSA-N -1 1 362.459 2.017 20 30 FEEDMM C[C@H]1Oc2c(ccc(Cl)c2Cl)C1=NNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000731154804 673324264 /nfs/dbraw/zinc/32/42/64/673324264.db2.gz DWUPOVZQDJVQOW-RXMQYKEDSA-N -1 1 365.180 2.336 20 30 FEEDMM C#CCOc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000734150876 673453700 /nfs/dbraw/zinc/45/37/00/673453700.db2.gz PYUTWCDBJUQNBN-UHFFFAOYSA-N -1 1 364.354 2.224 20 30 FEEDMM Cc1cc2c(c(Br)c1)NC(=O)C2=NNc1nc(C)cc(=O)[n-]1 ZINC000735609218 673497807 /nfs/dbraw/zinc/49/78/07/673497807.db2.gz QCQGZFHTZLKRJI-UHFFFAOYSA-N -1 1 362.187 2.330 20 30 FEEDMM CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000740811545 673655669 /nfs/dbraw/zinc/65/56/69/673655669.db2.gz MRUUYXSOWQHSSL-UHFFFAOYSA-N -1 1 359.407 2.301 20 30 FEEDMM COC(=O)[C@H]([N-]S(=O)(=O)CCCC#N)c1ccc(Cl)cc1Cl ZINC000544104773 673690006 /nfs/dbraw/zinc/69/00/06/673690006.db2.gz JNOWBMGVQPMZSQ-GFCCVEGCSA-N -1 1 365.238 2.431 20 30 FEEDMM O=C(NO)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000742823967 673739064 /nfs/dbraw/zinc/73/90/64/673739064.db2.gz JEBKILYAIYMSCG-UHFFFAOYSA-N -1 1 371.212 2.369 20 30 FEEDMM N#CCCN(CCC#N)C(=O)c1ccc(I)c([O-])c1 ZINC000546891934 673826465 /nfs/dbraw/zinc/82/64/65/673826465.db2.gz LQDXQDCPXDRVEG-UHFFFAOYSA-N -1 1 369.162 2.266 20 30 FEEDMM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)[C@H](O)C(F)(F)F ZINC000601409961 673857622 /nfs/dbraw/zinc/85/76/22/673857622.db2.gz AXUVVKZHPGYKMH-STQMWFEESA-N -1 1 368.352 2.065 20 30 FEEDMM COc1cccc(C(C)=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000746491765 673881151 /nfs/dbraw/zinc/88/11/51/673881151.db2.gz JVZQBHAEOGJGNR-UHFFFAOYSA-N -1 1 363.395 2.447 20 30 FEEDMM COc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1[N-]S(C)(=O)=O ZINC000566812428 675244615 /nfs/dbraw/zinc/24/46/15/675244615.db2.gz NHJCXXDNTKYJFQ-UHFFFAOYSA-N -1 1 363.370 2.330 20 30 FEEDMM C=CCn1c(C(C)C)nnc1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000828496049 675824002 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30 FEEDMM C#CC[C@H](CCOC)NC(=O)c1cc(I)ccc1[O-] ZINC000863784921 683772909 /nfs/dbraw/zinc/77/29/09/683772909.db2.gz VTOYCQMOVRZXHD-LLVKDONJSA-N -1 1 373.190 2.155 20 30 FEEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCC(F)(F)C1)C(=O)OCC ZINC000867589574 684323132 /nfs/dbraw/zinc/32/31/32/684323132.db2.gz RBJWGOOAJKOGFZ-GHMZBOCLSA-N -1 1 359.822 2.416 20 30 FEEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(=O)OCC ZINC000867592164 684324323 /nfs/dbraw/zinc/32/43/23/684324323.db2.gz SDQIRCUNRXYXKL-CQSZACIVSA-N -1 1 356.831 2.052 20 30 FEEDMM N#CC1(NC(=O)COC(=O)Cc2ccc([O-])c(Cl)c2)CCCCC1 ZINC000869736124 684648687 /nfs/dbraw/zinc/64/86/87/684648687.db2.gz BWCHMMYOJYBNIK-UHFFFAOYSA-N -1 1 350.802 2.474 20 30 FEEDMM C#CC1(NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCCC1 ZINC000878823043 686668151 /nfs/dbraw/zinc/66/81/51/686668151.db2.gz ZNAZFOLDDOBAAG-UHFFFAOYSA-N -1 1 351.428 2.134 20 30 FEEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882467089 687371647 /nfs/dbraw/zinc/37/16/47/687371647.db2.gz XPBWAKQSXKOBTH-SECBINFHSA-N -1 1 370.780 2.461 20 30 FEEDMM C=CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000897223531 689990828 /nfs/dbraw/zinc/99/08/28/689990828.db2.gz PWWYPHJQWGOMAP-CYBMUJFWSA-N -1 1 361.419 2.066 20 30 FEEDMM C=CCOC[C@H](NCc1cc(OC)c(OC)cc1Br)C(=O)[O-] ZINC000901810496 690697169 /nfs/dbraw/zinc/69/71/69/690697169.db2.gz ZYIDQRWHAPDFGG-LBPRGKRZSA-N -1 1 374.231 2.212 20 30 FEEDMM CCOC(Cn1cc(C(=O)N([O-])Cc2ccccc2Cl)nn1)OCC ZINC000904188340 691011087 /nfs/dbraw/zinc/01/10/87/691011087.db2.gz BJOHSNBEGVTTHR-UHFFFAOYSA-N -1 1 368.821 2.362 20 30 FEEDMM C#CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000018838063 210155010 /nfs/dbraw/zinc/15/50/10/210155010.db2.gz JSPJUHHXPDHAQJ-UHFFFAOYSA-N -1 1 358.419 2.249 20 30 FEEDMM CCn1c2ccccc2n(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1=O ZINC000029389621 539852005 /nfs/dbraw/zinc/85/20/05/539852005.db2.gz MRFYGKFPYRZYRQ-UHFFFAOYSA-N -1 1 354.292 2.248 20 30 FEEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1 ZINC000030531763 539884604 /nfs/dbraw/zinc/88/46/04/539884604.db2.gz CAPCQXVWIDWDNX-KRWDZBQOSA-N -1 1 371.418 2.477 20 30 FEEDMM CN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000060294895 540871078 /nfs/dbraw/zinc/87/10/78/540871078.db2.gz LQGLKMREHYHCQG-UHFFFAOYSA-N -1 1 365.361 2.361 20 30 FEEDMM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000059772605 540865463 /nfs/dbraw/zinc/86/54/63/540865463.db2.gz DCNIJDWHQWSQQP-UHFFFAOYSA-N -1 1 374.813 2.203 20 30 FEEDMM CCn1c(CCNC(=O)C=Cc2ccc(OCC#N)cc2)n[n-]c1=S ZINC000067076800 541415004 /nfs/dbraw/zinc/41/50/04/541415004.db2.gz VYPPDTZBJRFTRM-VMPITWQZSA-N -1 1 357.439 2.235 20 30 FEEDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(F)cc1C ZINC000551017441 674120124 /nfs/dbraw/zinc/12/01/24/674120124.db2.gz PLLSDHIBMCLLSK-UHFFFAOYSA-N -1 1 363.370 2.378 20 30 FEEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000077704734 542409889 /nfs/dbraw/zinc/40/98/89/542409889.db2.gz QMBUJTKXHOGYEE-UHFFFAOYSA-N -1 1 358.419 2.338 20 30 FEEDMM C#CCN(CC#C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000091990900 542835913 /nfs/dbraw/zinc/83/59/13/542835913.db2.gz GBLHHRIWJFKUPR-UHFFFAOYSA-N -1 1 354.284 2.212 20 30 FEEDMM CCc1cc(=O)[n-]c(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000189438595 328148528 /nfs/dbraw/zinc/14/85/28/328148528.db2.gz HITSYRIFNKDMSA-HNNXBMFYSA-N -1 1 354.435 2.492 20 30 FEEDMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000044256313 324556778 /nfs/dbraw/zinc/55/67/78/324556778.db2.gz XXVBVMMMGSUOQN-UHFFFAOYSA-N -1 1 370.839 2.416 20 30 FEEDMM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)n1 ZINC000157662556 326871603 /nfs/dbraw/zinc/87/16/03/326871603.db2.gz XQMZVQPTIULVHS-UHFFFAOYSA-N -1 1 366.424 2.445 20 30 FEEDMM N#C[C@@H](C(=O)NCC(F)(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155664098 545555916 /nfs/dbraw/zinc/55/59/16/545555916.db2.gz SNFHXFIQSLEEIU-MRVPVSSYSA-N -1 1 370.356 2.149 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1C(F)(F)F ZINC000177620234 546655059 /nfs/dbraw/zinc/65/50/59/546655059.db2.gz CUGAIVUKYHNEON-UHFFFAOYSA-N -1 1 369.324 2.477 20 30 FEEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(C)c(C)c1 ZINC000184258650 547795835 /nfs/dbraw/zinc/79/58/35/547795835.db2.gz PUGAPABXXKSNCI-KRWDZBQOSA-N -1 1 358.419 2.368 20 30 FEEDMM C#CCOc1ccccc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000187183985 548252595 /nfs/dbraw/zinc/25/25/95/548252595.db2.gz WXHLCOJIEKYGAA-UHFFFAOYSA-N -1 1 374.400 2.334 20 30 FEEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)OCC ZINC000270023151 550244246 /nfs/dbraw/zinc/24/42/46/550244246.db2.gz JNCKBNFVQWALBP-OAHLLOKOSA-N -1 1 356.444 2.377 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCOCCOCc2ccccc2)o1 ZINC000287712471 552037309 /nfs/dbraw/zinc/03/73/09/552037309.db2.gz GJJGTELZMXLWIE-UHFFFAOYSA-N -1 1 364.423 2.053 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000287855418 552055420 /nfs/dbraw/zinc/05/54/20/552055420.db2.gz PBQDGKFYXMOYKH-DZGCQCFKSA-N -1 1 354.334 2.238 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2)o1 ZINC000288150917 552100282 /nfs/dbraw/zinc/10/02/82/552100282.db2.gz NSTOOJCGKDFJLD-GFCCVEGCSA-N -1 1 351.815 2.362 20 30 FEEDMM COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1C#N ZINC000289403787 552315595 /nfs/dbraw/zinc/31/55/95/552315595.db2.gz GCFUIVFEBJLPQW-ZDUSSCGKSA-N -1 1 355.360 2.457 20 30 FEEDMM C=C1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000290173696 552438310 /nfs/dbraw/zinc/43/83/10/552438310.db2.gz FIRDIWBWBZZVCU-UHFFFAOYSA-N -1 1 363.266 2.450 20 30 FEEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(CC#N)cc1 ZINC000292496459 552732298 /nfs/dbraw/zinc/73/22/98/552732298.db2.gz GFLSHPXSGGSFRJ-BXUZGUMPSA-N -1 1 353.344 2.424 20 30 FEEDMM CCOc1c(OC)cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC ZINC000299663073 553598918 /nfs/dbraw/zinc/59/89/18/553598918.db2.gz QQFVVJOIZSZCSN-DKRLNXSXSA-N -1 1 360.362 2.331 20 30 FEEDMM N#Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000504523373 561659275 /nfs/dbraw/zinc/65/92/75/561659275.db2.gz AZPBCKNLUGOINA-UHFFFAOYSA-N -1 1 364.354 2.352 20 30 FEEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507907128 561745478 /nfs/dbraw/zinc/74/54/78/561745478.db2.gz DYVAEPAICRQTGK-GDBMZVCRSA-N -1 1 370.409 2.456 20 30 FEEDMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)co1 ZINC000330850154 554178881 /nfs/dbraw/zinc/17/88/81/554178881.db2.gz DQOPHIOVRZIANN-MEDUHNTESA-N -1 1 358.460 2.070 20 30 FEEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000365829902 555677238 /nfs/dbraw/zinc/67/72/38/555677238.db2.gz JNLFFOAHNBHCHK-UHFFFAOYSA-N -1 1 361.333 2.422 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)o1 ZINC000515393276 562008714 /nfs/dbraw/zinc/00/87/14/562008714.db2.gz XUTILVMKOFEIAT-GDBMZVCRSA-N -1 1 350.371 2.489 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)s1 ZINC000369167713 556523437 /nfs/dbraw/zinc/52/34/37/556523437.db2.gz PNYPYOPCLNSSHM-UHFFFAOYSA-N -1 1 366.815 2.050 20 30 FEEDMM CCCc1c([N-]S(=O)(=O)C[C@@H](C)OC)cnn1-c1cccc(C#N)c1 ZINC000370291499 556831130 /nfs/dbraw/zinc/83/11/30/556831130.db2.gz ZXLCPQCVOQRLMX-CYBMUJFWSA-N -1 1 362.455 2.473 20 30 FEEDMM N#Cc1cccc(CNC(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000524034909 562223177 /nfs/dbraw/zinc/22/31/77/562223177.db2.gz DMGBVGVQAJKRQR-UHFFFAOYSA-N -1 1 368.340 2.481 20 30 FEEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000527196050 562279684 /nfs/dbraw/zinc/27/96/84/562279684.db2.gz AOJUHVUINKMLBU-YWZLYKJASA-N -1 1 365.433 2.283 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)c([N+](=O)[O-])c1 ZINC000427315525 559753153 /nfs/dbraw/zinc/75/31/53/559753153.db2.gz OIXSEWNHRJEDAZ-UHFFFAOYSA-N -1 1 365.298 2.105 20 30 FEEDMM CC1(C)CCCc2cc(C#N)c(N3CCN(c4nc(=N)[n-]s4)CC3)nc21 ZINC000428148331 559770455 /nfs/dbraw/zinc/77/04/55/559770455.db2.gz VRUQIUHTKDMKCC-UHFFFAOYSA-N -1 1 369.498 2.327 20 30 FEEDMM C/C=C/C[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)OCC ZINC000440093044 560004535 /nfs/dbraw/zinc/00/45/35/560004535.db2.gz RBJHQNJZLMWZRC-UJAVWCLSSA-N -1 1 354.403 2.015 20 30 FEEDMM C/C=C\C[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)OCC ZINC000440093045 560004584 /nfs/dbraw/zinc/00/45/84/560004584.db2.gz RBJHQNJZLMWZRC-UYWPIULCSA-N -1 1 354.403 2.015 20 30 FEEDMM CCOC(=O)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(OC)c(F)c1 ZINC000443108939 560070859 /nfs/dbraw/zinc/07/08/59/560070859.db2.gz OEDFNJOIKSDEMU-QGZVFWFLSA-N -1 1 372.352 2.446 20 30 FEEDMM Cn1c2cc([N-]S(=O)(=O)c3ccccc3CC#N)ccc2ccc1=O ZINC000475785018 561105253 /nfs/dbraw/zinc/10/52/53/561105253.db2.gz GBWZNEIOTFDHMG-UHFFFAOYSA-N -1 1 353.403 2.405 20 30 FEEDMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000535753027 562566701 /nfs/dbraw/zinc/56/67/01/562566701.db2.gz MJRRWEHUNCGVML-MRXNPFEDSA-N -1 1 368.430 2.239 20 30 FEEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(F)c1 ZINC000569659728 568416396 /nfs/dbraw/zinc/41/63/96/568416396.db2.gz WMSOZHISCBBZBE-UHFFFAOYSA-N -1 1 352.318 2.424 20 30 FEEDMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000737300927 598930077 /nfs/dbraw/zinc/93/00/77/598930077.db2.gz GCNOROPLMQBPJG-UHFFFAOYSA-N -1 1 354.395 2.042 20 30 FEEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000735993548 599067251 /nfs/dbraw/zinc/06/72/51/599067251.db2.gz UDZLFZBQLPCEQN-UHFFFAOYSA-N -1 1 356.346 2.492 20 30 FEEDMM COc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1C#N ZINC000737084192 599129195 /nfs/dbraw/zinc/12/91/95/599129195.db2.gz ZGGSUJYPCGVCCK-UHFFFAOYSA-N -1 1 366.385 2.478 20 30 FEEDMM Cc1c(CN2CCSCC2)cccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820945344 598225895 /nfs/dbraw/zinc/22/58/95/598225895.db2.gz VTCOCJGZIFGREK-GOSISDBHSA-N -1 1 361.467 2.487 20 30 FEEDMM COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737081801 598392516 /nfs/dbraw/zinc/39/25/16/598392516.db2.gz CBUWLFMSCRGKIW-UHFFFAOYSA-N -1 1 372.345 2.341 20 30 FEEDMM C[C@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735506527 598401302 /nfs/dbraw/zinc/40/13/02/598401302.db2.gz XHLVRBSDUKHJBE-SNVBAGLBSA-N -1 1 352.329 2.440 20 30 FEEDMM C[C@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735506527 598401303 /nfs/dbraw/zinc/40/13/03/598401303.db2.gz XHLVRBSDUKHJBE-SNVBAGLBSA-N -1 1 352.329 2.440 20 30 FEEDMM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736761922 600295648 /nfs/dbraw/zinc/29/56/48/600295648.db2.gz IHKNUNJXJHOBOL-FZTQNYJHSA-N -1 1 361.486 2.492 20 30 FEEDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC)c1OC ZINC000738008923 600594750 /nfs/dbraw/zinc/59/47/50/600594750.db2.gz UMOAAKBRLXZRIT-INIZCTEOSA-N -1 1 356.378 2.500 20 30 FEEDMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000827718867 601299319 /nfs/dbraw/zinc/29/93/19/601299319.db2.gz ZHWYJJQVVPNORB-YVEFUNNKSA-N -1 1 358.419 2.438 20 30 FEEDMM COCC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831541053 601299727 /nfs/dbraw/zinc/29/97/27/601299727.db2.gz JKWFAUSXNIYXHP-SFHVURJKSA-N -1 1 353.378 2.059 20 30 FEEDMM C#CCOc1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000825631608 601840719 /nfs/dbraw/zinc/84/07/19/601840719.db2.gz GVPPDAKKIWGMQS-UHFFFAOYSA-N -1 1 366.782 2.246 20 30 FEEDMM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739090022 602530577 /nfs/dbraw/zinc/53/05/77/602530577.db2.gz NAKYVIQDLFCRPY-IOSXPMGOSA-N -1 1 364.490 2.237 20 30 FEEDMM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC1(C#N)CCN(C)CC1 ZINC000829174171 603475477 /nfs/dbraw/zinc/47/54/77/603475477.db2.gz QPLNCBCNXSGCOC-UHFFFAOYSA-N -1 1 366.805 2.156 20 30 FEEDMM CC(C)[C@@H](CCN(C)[C@@H]1CCN(c2sccc2C#N)C1=O)NC(=O)[O-] ZINC000824097911 603570708 /nfs/dbraw/zinc/57/07/08/603570708.db2.gz DKKCMRYHQYHCQZ-ZIAGYGMSSA-N -1 1 364.471 2.339 20 30 FEEDMM N#CC(C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])C(=O)Nc1ccccn1 ZINC000831064790 604152695 /nfs/dbraw/zinc/15/26/95/604152695.db2.gz NJZOQDYCUIGYEG-WTUNAVPPSA-N 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C#C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)c1ccc(Cl)cc1 ZINC000810100144 674531577 /nfs/dbraw/zinc/53/15/77/674531577.db2.gz YCNLOFOOPPBIGB-LLVKDONJSA-N -1 1 370.839 2.236 20 30 FEEDMM C#C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)c1ccc(Cl)cc1 ZINC000810100145 674531616 /nfs/dbraw/zinc/53/16/16/674531616.db2.gz YCNLOFOOPPBIGB-NSHDSACASA-N -1 1 370.839 2.236 20 30 FEEDMM Cc1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1C#N ZINC000810903413 674567614 /nfs/dbraw/zinc/56/76/14/674567614.db2.gz QOPDGCMMJOZMRM-GFCCVEGCSA-N -1 1 353.344 2.397 20 30 FEEDMM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)n1 ZINC000811445025 674604269 /nfs/dbraw/zinc/60/42/69/674604269.db2.gz ODPKXAKZSRCIPQ-SJKOYZFVSA-N -1 1 367.446 2.384 20 30 FEEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)[C@H](C)NC(=O)OC(C)(C)C ZINC000811637973 674618140 /nfs/dbraw/zinc/61/81/40/674618140.db2.gz COPFBIYGVMBIPQ-JTQLQIEISA-N -1 1 366.443 2.014 20 30 FEEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCCC[C@H]2CCCO)cc1 ZINC000814822643 674882208 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COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC)c1OC ZINC000832341030 601302200 /nfs/dbraw/zinc/30/22/00/601302200.db2.gz HMTBSRZXTZBANH-INIZCTEOSA-N -1 1 356.378 2.500 20 30 FEEDMM C#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000730996574 601331530 /nfs/dbraw/zinc/33/15/30/601331530.db2.gz SFCNCGSISXTYJZ-UHFFFAOYSA-N -1 1 361.375 2.206 20 30 FEEDMM C=CCN1C(=O)N=NC1S[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000825711034 601863206 /nfs/dbraw/zinc/86/32/06/601863206.db2.gz MFOFTLYWJWYQGD-SECBINFHSA-N -1 1 350.400 2.176 20 30 FEEDMM CC(C)N(CCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000738839749 602358321 /nfs/dbraw/zinc/35/83/21/602358321.db2.gz OYPAXSUQXAEKQQ-UHFFFAOYSA-N -1 1 372.469 2.371 20 30 FEEDMM N#Cc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc1 ZINC000740313147 603056905 /nfs/dbraw/zinc/05/69/05/603056905.db2.gz QCWFWJKDKCWLIS-UHFFFAOYSA-N -1 1 362.349 2.363 20 30 FEEDMM N#Cc1ccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1 ZINC000740313147 603056910 /nfs/dbraw/zinc/05/69/10/603056910.db2.gz QCWFWJKDKCWLIS-UHFFFAOYSA-N -1 1 362.349 2.363 20 30 FEEDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000825256192 604231163 /nfs/dbraw/zinc/23/11/63/604231163.db2.gz VCCUMHRJLOGMSF-HZPDHXFCSA-N -1 1 358.442 2.301 20 30 FEEDMM C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C1CCN(C(=O)[O-])CC1 ZINC000824551178 604387717 /nfs/dbraw/zinc/38/77/17/604387717.db2.gz KLYOMAMVWXTGJX-TZMCWYRMSA-N -1 1 358.398 2.145 20 30 FEEDMM C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824550054 604412992 /nfs/dbraw/zinc/41/29/92/604412992.db2.gz DYLFDQGOMLZDBA-MGPQQGTHSA-N -1 1 358.398 2.145 20 30 FEEDMM C#CCCSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC000823846139 607711040 /nfs/dbraw/zinc/71/10/40/607711040.db2.gz ZPFOERPGWZKIHJ-UHFFFAOYSA-N -1 1 354.395 2.153 20 30 FEEDMM CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000833416656 604856612 /nfs/dbraw/zinc/85/66/12/604856612.db2.gz CPRYTYJBJFRZTE-GOEBONIOSA-N -1 1 369.421 2.013 20 30 FEEDMM N#CC1(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CCN(Cc2ccccc2)CC1 ZINC000833963691 605415664 /nfs/dbraw/zinc/41/56/64/605415664.db2.gz SDCHKRCUKAJGSA-SJORKVTESA-N -1 1 370.453 2.097 20 30 FEEDMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000833829272 605549612 /nfs/dbraw/zinc/54/96/12/605549612.db2.gz HCLSUFSQVNNTDD-KMFMINBZSA-N -1 1 356.426 2.032 20 30 FEEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000779846057 605597460 /nfs/dbraw/zinc/59/74/60/605597460.db2.gz TXXSILLSQUJKDK-LBPRGKRZSA-N -1 1 360.391 2.405 20 30 FEEDMM N#Cc1ccc(N2CC[C@H](N3CCC4(C3)CCN(C(=O)[O-])CC4)C2=O)cc1 ZINC000833974670 605899479 /nfs/dbraw/zinc/89/94/79/605899479.db2.gz VJIIQUMBABAXTP-KRWDZBQOSA-N -1 1 368.437 2.129 20 30 FEEDMM N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833961953 606012876 /nfs/dbraw/zinc/01/28/76/606012876.db2.gz VKLCVNSGJMCDTL-MRVPVSSYSA-N -1 1 359.729 2.181 20 30 FEEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cc(CC#N)ccn1 ZINC000822541016 606945493 /nfs/dbraw/zinc/94/54/93/606945493.db2.gz KOYPPXJGBVZAII-UHFFFAOYSA-N -1 1 374.364 2.272 20 30 FEEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cc(CC#N)ccn1 ZINC000822541016 606945494 /nfs/dbraw/zinc/94/54/94/606945494.db2.gz KOYPPXJGBVZAII-UHFFFAOYSA-N -1 1 374.364 2.272 20 30 FEEDMM C#CCCCCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000819693067 606955314 /nfs/dbraw/zinc/95/53/14/606955314.db2.gz MXKWAGCZHVQXDF-UHFFFAOYSA-N -1 1 356.455 2.394 20 30 FEEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(O)ccc2Br)o1 ZINC000822423107 607252312 /nfs/dbraw/zinc/25/23/12/607252312.db2.gz HSQCYYJZGDIBIH-UHFFFAOYSA-N -1 1 364.163 2.077 20 30 FEEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cccc(-c2nn[nH]n2)c1 ZINC000826177408 607931085 /nfs/dbraw/zinc/93/10/85/607931085.db2.gz HBRADDBPRCGTMU-UHFFFAOYSA-N -1 1 352.354 2.410 20 30 FEEDMM CS(=O)(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826224287 608093525 /nfs/dbraw/zinc/09/35/25/608093525.db2.gz XZUMREDEQJPFDX-QPJJXVBHSA-N -1 1 360.420 2.228 20 30 FEEDMM CS(=O)(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826224287 608093526 /nfs/dbraw/zinc/09/35/26/608093526.db2.gz XZUMREDEQJPFDX-QPJJXVBHSA-N -1 1 360.420 2.228 20 30 FEEDMM N#Cc1c(F)cccc1-n1ccc(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000826383334 609279449 /nfs/dbraw/zinc/27/94/49/609279449.db2.gz VXQAIFQZCVPJJW-UHFFFAOYSA-N -1 1 361.344 2.070 20 30 FEEDMM N#Cc1c(F)cccc1-n1ccc(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000826383334 609279451 /nfs/dbraw/zinc/27/94/51/609279451.db2.gz VXQAIFQZCVPJJW-UHFFFAOYSA-N -1 1 361.344 2.070 20 30 FEEDMM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000811838316 674632828 /nfs/dbraw/zinc/63/28/28/674632828.db2.gz DCSZPGLCMOLGST-GFCCVEGCSA-N -1 1 374.216 2.328 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000561694621 674691028 /nfs/dbraw/zinc/69/10/28/674691028.db2.gz QAHCRAADLDSFND-UHFFFAOYSA-N -1 1 359.323 2.250 20 30 FEEDMM C#CCONC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000812781181 674697389 /nfs/dbraw/zinc/69/73/89/674697389.db2.gz JTUYFDGLYSHBSN-UHFFFAOYSA-N -1 1 362.382 2.230 20 30 FEEDMM C#CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000017797801 670025324 /nfs/dbraw/zinc/02/53/24/670025324.db2.gz OVOSFOGRIBRKPL-UHFFFAOYSA-N -1 1 358.419 2.249 20 30 FEEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1 ZINC000060554659 670386730 /nfs/dbraw/zinc/38/67/30/670386730.db2.gz WUKLUWKIVLOPPI-UHFFFAOYSA-N -1 1 353.396 2.011 20 30 FEEDMM CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1c[n-]cn1 ZINC000114212509 670889937 /nfs/dbraw/zinc/88/99/37/670889937.db2.gz MASAYUMTOALZKZ-UHFFFAOYSA-N -1 1 372.200 2.210 20 30 FEEDMM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C#N)nc3)cccc21 ZINC000574953851 671288395 /nfs/dbraw/zinc/28/83/95/671288395.db2.gz BQIMFEJAYJOHPG-MRXNPFEDSA-N -1 1 358.423 2.139 20 30 FEEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1NC(C)=O ZINC000609107020 675910402 /nfs/dbraw/zinc/91/04/02/675910402.db2.gz STSYZUGWCQMNIB-UHFFFAOYSA-N -1 1 363.370 2.465 20 30 FEEDMM C#CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000156351396 672245125 /nfs/dbraw/zinc/24/51/25/672245125.db2.gz LASJLSHGMRDJGO-UHFFFAOYSA-N -1 1 357.435 2.416 20 30 FEEDMM COc1ccc(C)cc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000611013800 676010569 /nfs/dbraw/zinc/01/05/69/676010569.db2.gz GHOVZKDTBORRON-UHFFFAOYSA-N -1 1 361.379 2.262 20 30 FEEDMM C=CCOCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000679492688 672501778 /nfs/dbraw/zinc/50/17/78/672501778.db2.gz RIUJAQXAIRDCMJ-UHFFFAOYSA-N -1 1 360.435 2.420 20 30 FEEDMM N#CCCNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000426424027 673209832 /nfs/dbraw/zinc/20/98/32/673209832.db2.gz DSIKFPUPQBLMFX-UHFFFAOYSA-N -1 1 358.423 2.200 20 30 FEEDMM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)N3CCCCCC3)n2)c(F)c1 ZINC000543875545 673676045 /nfs/dbraw/zinc/67/60/45/673676045.db2.gz BPDJLKYGAXOMQQ-UHFFFAOYSA-N -1 1 363.418 2.416 20 30 FEEDMM COc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1C#N ZINC000746680739 673890055 /nfs/dbraw/zinc/89/00/55/673890055.db2.gz OPYLGSWSKCSTNG-UHFFFAOYSA-N -1 1 365.342 2.093 20 30 FEEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000826383026 675687193 /nfs/dbraw/zinc/68/71/93/675687193.db2.gz GZNHQDVWJVBKSE-UHFFFAOYSA-N -1 1 352.745 2.292 20 30 FEEDMM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000827792676 675779038 /nfs/dbraw/zinc/77/90/38/675779038.db2.gz MZKXAWYJXVGADK-WDEREUQCSA-N -1 1 357.432 2.121 20 30 FEEDMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2NC1=O ZINC000619461506 676377434 /nfs/dbraw/zinc/37/74/34/676377434.db2.gz NGGJRPNKFWRKBP-NSHDSACASA-N -1 1 357.391 2.273 20 30 FEEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)c1 ZINC000619461440 676377563 /nfs/dbraw/zinc/37/75/63/676377563.db2.gz CMGQQFRMKMKXNC-UHFFFAOYSA-N -1 1 355.419 2.446 20 30 FEEDMM N#CCC1(CS(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000649780317 677337434 /nfs/dbraw/zinc/33/74/34/677337434.db2.gz GBHFKYPTKCUKJI-UHFFFAOYSA-N -1 1 362.451 2.311 20 30 FEEDMM C#CCCCS(=O)(=O)[N-]c1c(C(=O)OCC)cnn1C1CCCC1 ZINC000840947317 680855881 /nfs/dbraw/zinc/85/58/81/680855881.db2.gz FTISEZBOZJOLJB-UHFFFAOYSA-N -1 1 353.444 2.330 20 30 FEEDMM C#CCCCS(=O)(=O)[N-]c1ccc(I)c(C)n1 ZINC000840947889 680855908 /nfs/dbraw/zinc/85/59/08/680855908.db2.gz BPSSSMZQIZDDPM-UHFFFAOYSA-N -1 1 364.208 2.150 20 30 FEEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccnc2ccccc12 ZINC000748254612 679945879 /nfs/dbraw/zinc/94/58/79/679945879.db2.gz CWRBCAUMOAENDC-UHFFFAOYSA-N -1 1 356.363 2.455 20 30 FEEDMM C=CCOc1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000748248810 679946110 /nfs/dbraw/zinc/94/61/10/679946110.db2.gz YBJBEERIWLGIBL-UHFFFAOYSA-N -1 1 361.379 2.472 20 30 FEEDMM N#CC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000831357731 679971294 /nfs/dbraw/zinc/97/12/94/679971294.db2.gz BQEORKYYDDVCAZ-UHFFFAOYSA-N -1 1 350.183 2.484 20 30 FEEDMM CCn1ccnc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000755544620 680420621 /nfs/dbraw/zinc/42/06/21/680420621.db2.gz ZNDWZDQCOIRIEO-ZDUSSCGKSA-N -1 1 356.411 2.178 20 30 FEEDMM O=S1(=O)[N-]C(=NN=Cc2cnc([C@H]3CCCO3)s2)c2ccccc21 ZINC000755640933 680426130 /nfs/dbraw/zinc/42/61/30/680426130.db2.gz UAWDHXYIXMGASC-GFCCVEGCSA-N -1 1 362.436 2.067 20 30 FEEDMM COc1cc(C(C)=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1O ZINC000757465659 680524168 /nfs/dbraw/zinc/52/41/68/680524168.db2.gz UMKWIOPVLDKSHZ-UHFFFAOYSA-N -1 1 365.367 2.012 20 30 FEEDMM CCOC(=O)[C@@H]1CCC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C[C@H]1C ZINC000758098882 680555277 /nfs/dbraw/zinc/55/52/77/680555277.db2.gz XBWUFDXVLUORKX-DGCLKSJQSA-N -1 1 363.439 2.080 20 30 FEEDMM C#CCNC(=S)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000758212915 680562597 /nfs/dbraw/zinc/56/25/97/680562597.db2.gz GENOTFPXSCZDTQ-UHFFFAOYSA-N -1 1 373.503 2.427 20 30 FEEDMM O=c1cn[n-]c(=S)n1N=Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000766482490 680878644 /nfs/dbraw/zinc/87/86/44/680878644.db2.gz NNMBBQZZBPGSCB-UHFFFAOYSA-N -1 1 373.825 2.437 20 30 FEEDMM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)CC#N)c(F)cc1Cl ZINC000841542596 680894806 /nfs/dbraw/zinc/89/48/06/680894806.db2.gz LTHPSEOVSHJYJT-UHFFFAOYSA-N -1 1 362.810 2.484 20 30 FEEDMM CCCCC1N=NC(=S)N1N=Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000773005132 681121439 /nfs/dbraw/zinc/12/14/39/681121439.db2.gz JGCNAQRQUSXUKJ-UHFFFAOYSA-N -1 1 351.388 2.414 20 30 FEEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC1(C#N)CCCC1 ZINC000847388836 681372201 /nfs/dbraw/zinc/37/22/01/681372201.db2.gz GIMYEAGDUYAHSM-VXGBXAGGSA-N -1 1 360.380 2.311 20 30 FEEDMM C=CCOCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849459374 681746008 /nfs/dbraw/zinc/74/60/08/681746008.db2.gz RNGYNVOMYDTSPU-UHFFFAOYSA-N -1 1 352.771 2.258 20 30 FEEDMM C#CC(C)(C)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914108871 685494885 /nfs/dbraw/zinc/49/48/85/685494885.db2.gz OXPFPRFOSDNUIZ-OAQYLSRUSA-N -1 1 354.375 2.280 20 30 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URSACRJNSWGVOA-OAHLLOKOSA-N -1 1 356.419 2.048 20 30 FEEDMM C#CCN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000790966843 682716588 /nfs/dbraw/zinc/71/65/88/682716588.db2.gz VWQZMRGVQQROCK-UHFFFAOYSA-N -1 1 360.410 2.261 20 30 FEEDMM Cn1ncc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)c1C(F)(F)F ZINC000866995608 684193571 /nfs/dbraw/zinc/19/35/71/684193571.db2.gz HOEZEBXUDMIPKX-UHFFFAOYSA-N -1 1 370.356 2.278 20 30 FEEDMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000868579910 684513873 /nfs/dbraw/zinc/51/38/73/684513873.db2.gz LPVJSBKLQHUKAS-QOZQQMKHSA-N -1 1 360.380 2.169 20 30 FEEDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000872484315 684962143 /nfs/dbraw/zinc/96/21/43/684962143.db2.gz RVXKROBSPMKIQW-NRFANRHFSA-N -1 1 363.892 2.442 20 30 FEEDMM C=CCn1cc2ccc([N-]S(=O)(=O)CC3(OC)CCOCC3)cc2n1 ZINC000901964724 690722729 /nfs/dbraw/zinc/72/27/29/690722729.db2.gz BITLQNSLHKZGOP-UHFFFAOYSA-N -1 1 365.455 2.160 20 30 FEEDMM 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Cc1cccc2nc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)[nH]c21 ZINC000130066609 544137613 /nfs/dbraw/zinc/13/76/13/544137613.db2.gz FDIQRROFJFUNKD-UHFFFAOYSA-N -1 1 371.378 2.130 20 30 FEEDMM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)nc21 ZINC000130066609 544137615 /nfs/dbraw/zinc/13/76/15/544137615.db2.gz FDIQRROFJFUNKD-UHFFFAOYSA-N -1 1 371.378 2.130 20 30 FEEDMM CC#CCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000154449567 544908000 /nfs/dbraw/zinc/90/80/00/544908000.db2.gz FLRVIEUNYUKFGS-UHFFFAOYSA-N -1 1 360.410 2.309 20 30 FEEDMM N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[O-] ZINC000187952208 328056175 /nfs/dbraw/zinc/05/61/75/328056175.db2.gz FYFWUJRADVLTMF-INIZCTEOSA-N -1 1 368.368 2.439 20 30 FEEDMM Cn1c2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2oc1=O ZINC000102320820 325490609 /nfs/dbraw/zinc/49/06/09/325490609.db2.gz OKBCYKFLKPTBEI-UHFFFAOYSA-N -1 1 363.782 2.457 20 30 FEEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(N)=O ZINC000156386214 326829183 /nfs/dbraw/zinc/82/91/83/326829183.db2.gz UPUJKNZYVMGHFY-UHFFFAOYSA-N -1 1 356.407 2.109 20 30 FEEDMM COc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1F ZINC000156386606 326829314 /nfs/dbraw/zinc/82/93/14/326829314.db2.gz GUAYROLWRJCQAL-UHFFFAOYSA-N -1 1 365.342 2.093 20 30 FEEDMM N#C[C@H](C(=O)NCc1ccco1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155671614 545556783 /nfs/dbraw/zinc/55/67/83/545556783.db2.gz DJJQDPWXNSWSTK-LBPRGKRZSA-N -1 1 368.418 2.380 20 30 FEEDMM N#CC1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3Cl)C2=O)CCC1 ZINC000477585858 561148625 /nfs/dbraw/zinc/14/86/25/561148625.db2.gz VNTFUTORECUAQK-CYBMUJFWSA-N -1 1 367.858 2.059 20 30 FEEDMM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157564442 545755388 /nfs/dbraw/zinc/75/53/88/545755388.db2.gz SWIWPUCATOOLHR-SECBINFHSA-N -1 1 350.356 2.111 20 30 FEEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180409284 547103630 /nfs/dbraw/zinc/10/36/30/547103630.db2.gz WNXRFJDEXTWQNQ-UHFFFAOYSA-N -1 1 361.405 2.125 20 30 FEEDMM N#CCCN(CCC#N)C(=O)c1cc(I)ccc1[O-] ZINC000193997858 548419542 /nfs/dbraw/zinc/41/95/42/548419542.db2.gz MDGASIXERCHTIA-UHFFFAOYSA-N -1 1 369.162 2.266 20 30 FEEDMM CCN(CC)C(=O)C1([N-]S(=O)(=O)c2ccc(C#N)o2)CCCCC1 ZINC000286601621 551904828 /nfs/dbraw/zinc/90/48/28/551904828.db2.gz LFSXJASKDYVUEH-UHFFFAOYSA-N -1 1 353.444 2.001 20 30 FEEDMM N#Cc1cc(Br)ccc1CN1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000289346903 552305272 /nfs/dbraw/zinc/30/52/72/552305272.db2.gz FSHVVJXYRKNORV-UHFFFAOYSA-N -1 1 362.231 2.112 20 30 FEEDMM CC(C)[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)OC(C)(C)C ZINC000501026993 561588084 /nfs/dbraw/zinc/58/80/84/561588084.db2.gz WQLTUJNAXCKZGZ-HNNXBMFYSA-N -1 1 370.446 2.483 20 30 FEEDMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)[C@H](C)CC ZINC000295298412 552983520 /nfs/dbraw/zinc/98/35/20/552983520.db2.gz UTUGLBIJTDHBGS-IAQYHMDHSA-N -1 1 356.419 2.095 20 30 FEEDMM Cc1ncc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1C#N ZINC000324109652 553771106 /nfs/dbraw/zinc/77/11/06/553771106.db2.gz KQNKAPFJUDQQRM-UHFFFAOYSA-N -1 1 351.771 2.414 20 30 FEEDMM Cc1noc([C@H](NC(=O)c2csc(=NC3CC3)[n-]2)C2CCOCC2)n1 ZINC000329114802 553883006 /nfs/dbraw/zinc/88/30/06/553883006.db2.gz HXUUKSCQFBZYLB-CYBMUJFWSA-N -1 1 363.443 2.881 20 30 FEEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000329404687 553940381 /nfs/dbraw/zinc/94/03/81/553940381.db2.gz BQEUYYXYOJSWLL-NSHDSACASA-N -1 1 355.460 2.060 20 30 FEEDMM N#Cc1ccc(CSCC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000507863892 561743725 /nfs/dbraw/zinc/74/37/25/561743725.db2.gz NGSHWPLRWZEDEY-AWEZNQCLSA-N -1 1 358.423 2.286 20 30 FEEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000507932929 561746342 /nfs/dbraw/zinc/74/63/42/561746342.db2.gz ALBFXUPQBDYOFM-UHFFFAOYSA-N -1 1 359.407 2.496 20 30 FEEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332107958 554382131 /nfs/dbraw/zinc/38/21/31/554382131.db2.gz GGYKTILIPYSOSG-ZDUSSCGKSA-N -1 1 356.382 2.210 20 30 FEEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCC(=O)N(C)C)cc1 ZINC000513393192 561936656 /nfs/dbraw/zinc/93/66/56/561936656.db2.gz AKQBDWMIIMYUHW-UHFFFAOYSA-N -1 1 373.434 2.135 20 30 FEEDMM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(Br)c1 ZINC000513789145 561949890 /nfs/dbraw/zinc/94/98/90/561949890.db2.gz CULSBGMDQVOBGG-UHFFFAOYSA-N -1 1 353.201 2.220 20 30 FEEDMM C=CCCO[C@@H](C)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000368503345 556328211 /nfs/dbraw/zinc/32/82/11/556328211.db2.gz QAAFIEQOSRLHKY-ZANVPECISA-N -1 1 353.785 2.179 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)o1 ZINC000368623005 556366515 /nfs/dbraw/zinc/36/65/15/556366515.db2.gz JCXXAYSGBMSREX-NSHDSACASA-N -1 1 367.377 2.234 20 30 FEEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(C)C1(C#N)CCC1 ZINC000368868660 556433765 /nfs/dbraw/zinc/43/37/65/556433765.db2.gz WYWAMWBRRIPXTL-UHFFFAOYSA-N -1 1 351.410 2.390 20 30 FEEDMM Cc1noc([C@@H]([N-]S(=O)(=O)Cc2cccc(C#N)c2)c2ccccc2)n1 ZINC000369110148 556507932 /nfs/dbraw/zinc/50/79/32/556507932.db2.gz HKDCLZSINJGXRO-KRWDZBQOSA-N -1 1 368.418 2.459 20 30 FEEDMM N#Cc1ccc(-c2cnc(CS(=O)(=O)c3n[n-]c(C4CC4)n3)o2)cc1 ZINC000371805094 557298106 /nfs/dbraw/zinc/29/81/06/557298106.db2.gz FQRCLTCIKQGESR-UHFFFAOYSA-N -1 1 355.379 2.183 20 30 FEEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCc1cccc(C#N)c1 ZINC000374052016 557814612 /nfs/dbraw/zinc/81/46/12/557814612.db2.gz PIGOZWDHRLELPL-UHFFFAOYSA-N -1 1 373.416 2.326 20 30 FEEDMM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000416642362 559327087 /nfs/dbraw/zinc/32/70/87/559327087.db2.gz ZVMQJIITFAAZMQ-AWEZNQCLSA-N -1 1 363.439 2.052 20 30 FEEDMM N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)on2)c1 ZINC000425309333 559695924 /nfs/dbraw/zinc/69/59/24/559695924.db2.gz VWZCYZYFMNRGMY-CYBMUJFWSA-N -1 1 365.349 2.322 20 30 FEEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)c1 ZINC000427769560 559761988 /nfs/dbraw/zinc/76/19/88/559761988.db2.gz WLKSYUPURSLNEG-UHFFFAOYSA-N -1 1 371.462 2.349 20 30 FEEDMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCCCCC#N)c2)n1 ZINC000434176725 559895131 /nfs/dbraw/zinc/89/51/31/559895131.db2.gz HDLHAKLNZMHAMJ-UHFFFAOYSA-N -1 1 370.413 2.141 20 30 FEEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000437527241 559965620 /nfs/dbraw/zinc/96/56/20/559965620.db2.gz NQHUMNNSYRDDSN-IUODEOHRSA-N -1 1 351.472 2.243 20 30 FEEDMM C=C[C@@](C)(CCOC)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000437708450 559968392 /nfs/dbraw/zinc/96/83/92/559968392.db2.gz MBMQJZKQRKPNIT-INIZCTEOSA-N -1 1 356.444 2.234 20 30 FEEDMM COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442971199 560064450 /nfs/dbraw/zinc/06/44/50/560064450.db2.gz YRBOVFFTHNTFHK-UHFFFAOYSA-N -1 1 354.362 2.281 20 30 FEEDMM COC(=O)COc1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443120566 560071452 /nfs/dbraw/zinc/07/14/52/560071452.db2.gz ASRFKDCTKJVAJD-GFCCVEGCSA-N -1 1 354.362 2.307 20 30 FEEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC000462081713 560795749 /nfs/dbraw/zinc/79/57/49/560795749.db2.gz UPJAWOOJHCHPPC-WFASDCNBSA-N -1 1 361.427 2.127 20 30 FEEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000471137692 560999081 /nfs/dbraw/zinc/99/90/81/560999081.db2.gz VEDIRTGRQNGXNS-UHFFFAOYSA-N -1 1 365.298 2.105 20 30 FEEDMM COC[C@](C)(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000474144624 561066722 /nfs/dbraw/zinc/06/67/22/561066722.db2.gz KRJGPVCRSVWIMU-SFHVURJKSA-N -1 1 373.434 2.146 20 30 FEEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(Cn2cncn2)c1 ZINC000475810957 561105870 /nfs/dbraw/zinc/10/58/70/561105870.db2.gz KVDVIIDYECRJBI-UHFFFAOYSA-N -1 1 353.407 2.193 20 30 FEEDMM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475810916 561105963 /nfs/dbraw/zinc/10/59/63/561105963.db2.gz NTDKZOAPGBXIAK-UHFFFAOYSA-N -1 1 374.418 2.495 20 30 FEEDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 ZINC000532879340 562491591 /nfs/dbraw/zinc/49/15/91/562491591.db2.gz XQZCYQYCSYFQGA-ZETCQYMHSA-N -1 1 360.317 2.308 20 30 FEEDMM CCn1cc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c([N+](=O)[O-])n1 ZINC000533635635 562515019 /nfs/dbraw/zinc/51/50/19/562515019.db2.gz MAVKLIBYVWJETF-CYBMUJFWSA-N -1 1 363.399 2.135 20 30 FEEDMM COc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1[N-]S(C)(=O)=O ZINC000541043950 562601117 /nfs/dbraw/zinc/60/11/17/562601117.db2.gz HXLRBKLOWQBLAV-UHFFFAOYSA-N -1 1 366.443 2.224 20 30 FEEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000737305822 598949227 /nfs/dbraw/zinc/94/92/27/598949227.db2.gz JTSHKEYFFXNYRS-UHFFFAOYSA-N -1 1 354.395 2.156 20 30 FEEDMM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC000735922268 599013277 /nfs/dbraw/zinc/01/32/77/599013277.db2.gz DWAHGKVXOWEKLK-STQMWFEESA-N -1 1 362.397 2.327 20 30 FEEDMM C=CC1CCN([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])CC1 ZINC000736097262 600327445 /nfs/dbraw/zinc/32/74/45/600327445.db2.gz ZVMSHJUEHLIZAU-GFCCVEGCSA-N -1 1 360.410 2.396 20 30 FEEDMM N#Cc1cccc(CNC(=O)CN2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])c1 ZINC000740320764 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CSC[C@@H](C)C(=O)N1CCC(C(=O)[N-]Oc2cccc(C#N)c2)CC1 ZINC000870689735 684745490 /nfs/dbraw/zinc/74/54/90/684745490.db2.gz ARURYMPLNHZKQU-CYBMUJFWSA-N -1 1 361.467 2.206 20 30 FEEDMM C#CCC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000885838620 688165858 /nfs/dbraw/zinc/16/58/58/688165858.db2.gz LGQFFHBDJTULPT-UHFFFAOYSA-N -1 1 358.803 2.099 20 30 FEEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C#N)C(C)C)c1F ZINC000903116706 690846168 /nfs/dbraw/zinc/84/61/68/690846168.db2.gz HZOCPSFLDGQPJC-SECBINFHSA-N -1 1 365.224 2.423 20 30 FEEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1C(N)=O ZINC000032085384 539927927 /nfs/dbraw/zinc/92/79/27/539927927.db2.gz SCPNWAPUCKZBNU-UHFFFAOYSA-N -1 1 373.434 2.396 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc4n(c(=O)c3c2)CCC4)cc1 ZINC000047906408 540333177 /nfs/dbraw/zinc/33/31/77/540333177.db2.gz OQGZVKBOEUXENC-UHFFFAOYSA-N -1 1 366.402 2.015 20 30 FEEDMM CS(=O)(=O)c1nc(NC(=O)c2ccc(-c3ccccc3F)o2)n[n-]1 ZINC000060242194 540870125 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30 FEEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000188394161 328084426 /nfs/dbraw/zinc/08/44/26/328084426.db2.gz ROSRQNJFWHAURQ-INIZCTEOSA-N -1 1 353.353 2.280 20 30 FEEDMM N#Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cc1[O-] ZINC000188480213 328089780 /nfs/dbraw/zinc/08/97/80/328089780.db2.gz LIBHKLGMVSNLRE-UHFFFAOYSA-N -1 1 369.808 2.402 20 30 FEEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[O-] ZINC000188729310 328107140 /nfs/dbraw/zinc/10/71/40/328107140.db2.gz UOVFIINZWQYCKG-SFHVURJKSA-N -1 1 363.417 2.227 20 30 FEEDMM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)s1 ZINC000190932364 328241107 /nfs/dbraw/zinc/24/11/07/328241107.db2.gz DSTDWYXIBMXNIO-UHFFFAOYSA-N -1 1 355.419 2.232 20 30 FEEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1 ZINC000076935692 324969482 /nfs/dbraw/zinc/96/94/82/324969482.db2.gz DBXLYLAKQNBROQ-UHFFFAOYSA-N -1 1 350.421 2.071 20 30 FEEDMM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000155580904 326794382 /nfs/dbraw/zinc/79/43/82/326794382.db2.gz LBINLULDVVJIAO-NSHDSACASA-N -1 1 357.801 2.058 20 30 FEEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1nc(-c2cccc(F)c2)no1 ZINC000174043888 327303474 /nfs/dbraw/zinc/30/34/74/327303474.db2.gz GBXDTAGANKUAOS-SNVBAGLBSA-N -1 1 373.369 2.182 20 30 FEEDMM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000804998114 674311357 /nfs/dbraw/zinc/31/13/57/674311357.db2.gz ZFTRCWYKWQYSNJ-LBPRGKRZSA-N -1 1 371.459 2.369 20 30 FEEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC#N)c2)cc1 ZINC000477957195 561157040 /nfs/dbraw/zinc/15/70/40/561157040.db2.gz FGYJPLNLNZCYDQ-UHFFFAOYSA-N -1 1 359.407 2.139 20 30 FEEDMM N#CC1(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000160800104 546073203 /nfs/dbraw/zinc/07/32/03/546073203.db2.gz QTKVHCJYVDCGFA-UHFFFAOYSA-N -1 1 373.409 2.341 20 30 FEEDMM C[C@@H](CN(C)C(=O)c1ccc(COc2ccccc2C#N)o1)c1nn[n-]n1 ZINC000183412501 547654750 /nfs/dbraw/zinc/65/47/50/547654750.db2.gz BPUDQGJEHJZRSE-LBPRGKRZSA-N -1 1 366.381 2.119 20 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/nfs/dbraw/zinc/16/92/30/551169230.db2.gz XZYNHBKJQGTXGH-UHFFFAOYSA-N -1 1 374.466 2.270 20 30 FEEDMM N#Cc1c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nc2ccccn12 ZINC000282049032 551174134 /nfs/dbraw/zinc/17/41/34/551174134.db2.gz ZIXMFOXDRNOTEH-UHFFFAOYSA-N -1 1 351.332 2.101 20 30 FEEDMM Cc1cc(C)c(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(C#N)o3)C2=O)c(C)c1 ZINC000287410513 552000712 /nfs/dbraw/zinc/00/07/12/552000712.db2.gz OYCFJXRDLPSTAV-OAHLLOKOSA-N -1 1 373.434 2.160 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2)o1 ZINC000287672352 552032511 /nfs/dbraw/zinc/03/25/11/552032511.db2.gz DHEPXHXUUCEMAJ-LBPRGKRZSA-N -1 1 351.815 2.362 20 30 FEEDMM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000292230864 552706780 /nfs/dbraw/zinc/70/67/80/552706780.db2.gz MYOWEZBXPFRCKE-OAHLLOKOSA-N -1 1 371.459 2.210 20 30 FEEDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000502465821 561619133 /nfs/dbraw/zinc/61/91/33/561619133.db2.gz RSCLDBLQKCJMFJ-UHFFFAOYSA-N -1 1 357.298 2.236 20 30 FEEDMM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000505786439 561680708 /nfs/dbraw/zinc/68/07/08/561680708.db2.gz ACTFFHPOVRSBIB-QGZVFWFLSA-N -1 1 356.386 2.067 20 30 FEEDMM Cc1cc(N=C([O-])[C@@H](c2ccccc2)N2CCN(C)CC2)cn(C)c1=O ZINC000330190261 554081033 /nfs/dbraw/zinc/08/10/33/554081033.db2.gz MKJDQVADJKDIFK-GOSISDBHSA-N -1 1 354.454 2.270 20 30 FEEDMM COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000507949528 561747087 /nfs/dbraw/zinc/74/70/87/561747087.db2.gz NPAGUHZTWJNWCD-UHFFFAOYSA-N -1 1 373.434 2.044 20 30 FEEDMM N#Cc1ccc(CSCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000509260950 561792661 /nfs/dbraw/zinc/79/26/61/561792661.db2.gz YQOHJCNKXBOYKB-UHFFFAOYSA-N -1 1 358.423 2.286 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000362663998 554979223 /nfs/dbraw/zinc/97/92/23/554979223.db2.gz ISKMRZBQPKJSQV-UHFFFAOYSA-N -1 1 370.350 2.052 20 30 FEEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CN=NC3=O)c2C)ccc1C#N ZINC000367962704 556183028 /nfs/dbraw/zinc/18/30/28/556183028.db2.gz JLJLWEYDKNLUHZ-UHFFFAOYSA-N -1 1 369.406 2.262 20 30 FEEDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)c1cccs1 ZINC000515057416 561994213 /nfs/dbraw/zinc/99/42/13/561994213.db2.gz ZAWHARKGQFVEED-HNNXBMFYSA-N -1 1 364.448 2.148 20 30 FEEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCNC2=O)cc1 ZINC000393087842 558620569 /nfs/dbraw/zinc/62/05/69/558620569.db2.gz BSXZTJIJSJVEBM-UHFFFAOYSA-N -1 1 356.407 2.197 20 30 FEEDMM COc1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc(Cl)c1[O-] ZINC000525952527 562260934 /nfs/dbraw/zinc/26/09/34/562260934.db2.gz JLFLBZIFQQDZJD-UHFFFAOYSA-N -1 1 372.812 2.283 20 30 FEEDMM C=CCN(C(=O)c1ncccc1[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000426994084 559745341 /nfs/dbraw/zinc/74/53/41/559745341.db2.gz YBTLVGVRXHNKIJ-ZDUSSCGKSA-N -1 1 350.382 2.152 20 30 FEEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc([C@H]2CNC(=O)C2)c1 ZINC000435145322 559917252 /nfs/dbraw/zinc/91/72/52/559917252.db2.gz QEMMNZSEOAYLCP-OAHLLOKOSA-N -1 1 355.419 2.271 20 30 FEEDMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435736340 559929089 /nfs/dbraw/zinc/92/90/89/559929089.db2.gz WORCMOSFACVAJX-UHFFFAOYSA-N -1 1 368.422 2.341 20 30 FEEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000437492985 559965185 /nfs/dbraw/zinc/96/51/85/559965185.db2.gz DOVFVOKHYJLSIU-DOMZBBRYSA-N -1 1 370.471 2.067 20 30 FEEDMM N#Cc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)n2)cc1[O-] ZINC000443071406 560069181 /nfs/dbraw/zinc/06/91/81/560069181.db2.gz MHHYOJPFOSNLMC-UHFFFAOYSA-N -1 1 351.284 2.486 20 30 FEEDMM N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(C#N)c([O-])c3)C2=O)cc1 ZINC000443127719 560071922 /nfs/dbraw/zinc/07/19/22/560071922.db2.gz KGBFJCPBMDIVJX-KRWDZBQOSA-N -1 1 360.373 2.061 20 30 FEEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1ccsc1 ZINC000443897544 560095479 /nfs/dbraw/zinc/09/54/79/560095479.db2.gz OJRUMQONIIGMAZ-AWEZNQCLSA-N -1 1 350.421 2.121 20 30 FEEDMM CC[C@H](Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1)C(=O)[O-] ZINC000463790767 560824317 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N#Cc1ccc(CN2CCCN(C(=O)NCCCCC(=O)[O-])CC2)cc1 ZINC000821330092 598167347 /nfs/dbraw/zinc/16/73/47/598167347.db2.gz VFSJHLZWVYCGAC-UHFFFAOYSA-N -1 1 358.442 2.030 20 30 FEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(=O)n(Cc3ccccc3)c2)o1 ZINC000808077093 674440218 /nfs/dbraw/zinc/44/02/18/674440218.db2.gz FLGQEKRSMBVNFU-UHFFFAOYSA-N -1 1 355.375 2.162 20 30 FEEDMM CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821619045 599340142 /nfs/dbraw/zinc/34/01/42/599340142.db2.gz GXVKVOFXLYPVFD-UHFFFAOYSA-N -1 1 374.813 2.217 20 30 FEEDMM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822160455 599360545 /nfs/dbraw/zinc/36/05/45/599360545.db2.gz HRWAJCUFOIFFKD-UHFFFAOYSA-N -1 1 373.369 2.262 20 30 FEEDMM Cc1oc(NC(=O)CN(CCC#N)CC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000822548036 607453572 /nfs/dbraw/zinc/45/35/72/607453572.db2.gz DPKWOBAPOJIQTB-UHFFFAOYSA-N -1 1 359.434 2.277 20 30 FEEDMM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000736662311 600592180 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CC(C)(CCC#N)CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000807591812 674420914 /nfs/dbraw/zinc/42/09/14/674420914.db2.gz PPUQLTWNXITLSI-UHFFFAOYSA-N -1 1 362.396 2.416 20 30 FEEDMM C=CC1CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000736096308 600327709 /nfs/dbraw/zinc/32/77/09/600327709.db2.gz KHXCRNSMNDJGTB-GOSISDBHSA-N -1 1 355.438 2.178 20 30 FEEDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000827369306 601124152 /nfs/dbraw/zinc/12/41/52/601124152.db2.gz UNHOVWORJMHEHS-LLVKDONJSA-N -1 1 350.806 2.224 20 30 FEEDMM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NCc3c[nH]nn3)c2)c1 ZINC000833144518 601405586 /nfs/dbraw/zinc/40/55/86/601405586.db2.gz VFMQAHLOYYJJBL-UHFFFAOYSA-N -1 1 361.361 2.224 20 30 FEEDMM O=C([O-])c1cc(/C=C/C(=O)c2ccc(O)c(CN3CCOCC3)c2)c[nH]1 ZINC000833092714 601792244 /nfs/dbraw/zinc/79/22/44/601792244.db2.gz LANBYTVFIDQKOT-HNQUOIGGSA-N -1 1 356.378 2.147 20 30 FEEDMM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738615768 601943759 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370.453 2.097 20 30 FEEDMM N#Cc1ccc(OCCCOC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822833313 606136542 /nfs/dbraw/zinc/13/65/42/606136542.db2.gz NZWPNMPEFXPOJN-UHFFFAOYSA-N -1 1 355.379 2.426 20 30 FEEDMM N#Cc1ccc(OCCCOC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822833313 606136544 /nfs/dbraw/zinc/13/65/44/606136544.db2.gz NZWPNMPEFXPOJN-UHFFFAOYSA-N -1 1 355.379 2.426 20 30 FEEDMM COc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1C#N ZINC000810083047 674530504 /nfs/dbraw/zinc/53/05/04/674530504.db2.gz WPDCZZOZPBSFQG-UHFFFAOYSA-N -1 1 353.381 2.015 20 30 FEEDMM C=CCCOCCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000823899612 607944619 /nfs/dbraw/zinc/94/46/19/607944619.db2.gz ZILHZHKLNSMKNJ-UHFFFAOYSA-N -1 1 374.470 2.184 20 30 FEEDMM O=C(C=Cc1cnc(N2CCOCC2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403121 608094209 /nfs/dbraw/zinc/09/42/09/608094209.db2.gz KFWVZYJUIJUEPV-UPHRSURJSA-N -1 1 374.451 2.117 20 30 FEEDMM O=C(C=Cc1cnc(N2CCOCC2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403121 608094210 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NC(=NOCc1ccc(C(=O)[O-])cc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000819111315 601055618 /nfs/dbraw/zinc/05/56/18/601055618.db2.gz RARXQXXPINHRNZ-UHFFFAOYSA-N -1 1 369.421 2.183 20 30 FEEDMM N#Cc1c(NC(=O)CCN2CC[C@@](F)(C(=O)[O-])C2)sc2c1CCCC2 ZINC000833067952 601555303 /nfs/dbraw/zinc/55/53/03/601555303.db2.gz KBYVZSQXDTZNJJ-KRWDZBQOSA-N -1 1 365.430 2.326 20 30 FEEDMM COc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1C#N ZINC000826208566 607546133 /nfs/dbraw/zinc/54/61/33/607546133.db2.gz QFKOEBKRHWTPLL-UHFFFAOYSA-N -1 1 358.361 2.110 20 30 FEEDMM C=CCC[C@H](O)CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000825665071 602199181 /nfs/dbraw/zinc/19/91/81/602199181.db2.gz SXJLXAHIRLDSKJ-IRXDYDNUSA-N -1 1 352.862 2.410 20 30 FEEDMM C=CCC[C@@H](O)CN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000825665070 602199383 /nfs/dbraw/zinc/19/93/83/602199383.db2.gz SXJLXAHIRLDSKJ-IAGOWNOFSA-N -1 1 352.862 2.410 20 30 FEEDMM Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2csc(CNC(=O)[O-])n2)c1 ZINC000740167561 602728162 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C=CCn1c(=O)c2ccsc2nc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000823937237 607895071 /nfs/dbraw/zinc/89/50/71/607895071.db2.gz NQZMXEZFHYRLIA-UHFFFAOYSA-N -1 1 369.435 2.370 20 30 FEEDMM Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000826233593 608116770 /nfs/dbraw/zinc/11/67/70/608116770.db2.gz NNOWGANPMOJEFC-UHFFFAOYSA-N -1 1 367.760 2.157 20 30 FEEDMM CCN(Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)C[C@@H](C)C#N ZINC000825428484 608311857 /nfs/dbraw/zinc/31/18/57/608311857.db2.gz OSFDZBAYLADWNJ-ZDUSSCGKSA-N -1 1 350.430 2.342 20 30 FEEDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NC1COC1 ZINC000814689109 674875134 /nfs/dbraw/zinc/87/51/34/674875134.db2.gz IRVMVJMTAPUFBG-UHFFFAOYSA-N -1 1 362.367 2.194 20 30 FEEDMM CCC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(N)c1 ZINC000814822486 674882159 /nfs/dbraw/zinc/88/21/59/674882159.db2.gz PCTHUADQPOSMDL-UHFFFAOYSA-N -1 1 362.411 2.411 20 30 FEEDMM CC(=NNC[C@H](C)O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814961619 674890355 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COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1C#N ZINC000746674884 673889227 /nfs/dbraw/zinc/88/92/27/673889227.db2.gz PJMFXQIBBRNVHB-UHFFFAOYSA-N -1 1 356.325 2.463 20 30 FEEDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(OC)c(C#N)c2)c(F)c1 ZINC000746679935 673889638 /nfs/dbraw/zinc/88/96/38/673889638.db2.gz DLWDNQQSSGWFOF-UHFFFAOYSA-N -1 1 368.361 2.332 20 30 FEEDMM CO[C@H]1C[C@H]2CC(=N[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000819808186 675316133 /nfs/dbraw/zinc/31/61/33/675316133.db2.gz LYRSMHDHMHYIEV-PJXYFTJBSA-N -1 1 353.400 2.064 20 30 FEEDMM N#Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000819931776 675325348 /nfs/dbraw/zinc/32/53/48/675325348.db2.gz SJWQSOTZTJTOHU-JTQLQIEISA-N -1 1 356.304 2.361 20 30 FEEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619462022 676377806 /nfs/dbraw/zinc/37/78/06/676377806.db2.gz QWFITNIIHPELBK-UHFFFAOYSA-N -1 1 355.419 2.469 20 30 FEEDMM C=CCCOCCCCC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830807033 677061775 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2.490 20 30 FEEDMM COC(=O)c1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000760181906 680678983 /nfs/dbraw/zinc/67/89/83/680678983.db2.gz CWNPUMZCOMTHBX-GFCCVEGCSA-N -1 1 357.753 2.483 20 30 FEEDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000766826631 680889352 /nfs/dbraw/zinc/88/93/52/680889352.db2.gz FDDBYHJVBULLBE-CQSZACIVSA-N -1 1 356.419 2.095 20 30 FEEDMM C#CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)OC ZINC000841539944 680894369 /nfs/dbraw/zinc/89/43/69/680894369.db2.gz HZYMOQGSPBXIIX-JTQLQIEISA-N -1 1 370.641 2.490 20 30 FEEDMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)c1Cl ZINC000841572102 680900703 /nfs/dbraw/zinc/90/07/03/680900703.db2.gz LRNAIACQXJEPNH-ZDUSSCGKSA-N -1 1 350.831 2.301 20 30 FEEDMM COC(=O)CCCC[C@@H](C)C(C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000767770113 680925739 /nfs/dbraw/zinc/92/57/39/680925739.db2.gz DZLIFZUMQPCLSR-GFCCVEGCSA-N -1 1 365.455 2.471 20 30 FEEDMM C=C[C@H](CC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)c1ccccc1 ZINC000843015770 680982208 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CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(C)c(Br)s1 ZINC000794910046 683002620 /nfs/dbraw/zinc/00/26/20/683002620.db2.gz XFJBAXFCUIKGLK-UHFFFAOYSA-N -1 1 367.232 2.401 20 30 FEEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)cc2-n2cncn2)c(=O)o1 ZINC000794926695 683004578 /nfs/dbraw/zinc/00/45/78/683004578.db2.gz MKFRMWQWHQFUQF-OICCZTGUSA-N -1 1 357.753 2.149 20 30 FEEDMM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)nc2F)CCCC1 ZINC000859205965 683056442 /nfs/dbraw/zinc/05/64/42/683056442.db2.gz BHIGLQMCJFAEDN-UHFFFAOYSA-N -1 1 362.224 2.345 20 30 FEEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000919962681 683309979 /nfs/dbraw/zinc/30/99/79/683309979.db2.gz HOMWNRZWINHDHW-UHFFFAOYSA-N -1 1 360.391 2.383 20 30 FEEDMM CCCCCCCCN1C(=O)C(=CNC[C@@H]2CCCO2)C(=O)[N-]C1=S ZINC000920976167 683383894 /nfs/dbraw/zinc/38/38/94/683383894.db2.gz IHHJZXXFVIVHOL-MRPLLJTBSA-N -1 1 367.515 2.243 20 30 FEEDMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1 ZINC000799522607 683464934 /nfs/dbraw/zinc/46/49/34/683464934.db2.gz SCEJHJNRQOYORT-UHFFFAOYSA-N -1 1 359.407 2.092 20 30 FEEDMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000866915206 684180072 /nfs/dbraw/zinc/18/00/72/684180072.db2.gz XETVJNGKIQCWBR-QFIPXVFZSA-N -1 1 368.402 2.009 20 30 FEEDMM Cn1ncc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1C(F)(F)F ZINC000867226556 684229524 /nfs/dbraw/zinc/22/95/24/684229524.db2.gz SRSNWCJFAKPQRY-UHFFFAOYSA-N -1 1 350.366 2.047 20 30 FEEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)C(=O)OCC ZINC000867591921 684323674 /nfs/dbraw/zinc/32/36/74/684323674.db2.gz JRLKSIOLJLJCIT-AWEZNQCLSA-N -1 1 361.847 2.189 20 30 FEEDMM COC[C@@H](C)NC(=S)NN=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872331893 684937505 /nfs/dbraw/zinc/93/75/05/684937505.db2.gz ZDWPOHBOPJOYEN-SECBINFHSA-N -1 1 373.504 2.323 20 30 FEEDMM C=CCOc1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc1 ZINC000872486785 684962924 /nfs/dbraw/zinc/96/29/24/684962924.db2.gz SUEYDKVHDSBKST-QFIPXVFZSA-N -1 1 360.501 2.482 20 30 FEEDMM C#Cc1ccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c(Cl)c1 ZINC000901962921 690722201 /nfs/dbraw/zinc/72/22/01/690722201.db2.gz NYZPNIQCWLYCFD-LBPRGKRZSA-N -1 1 351.815 2.280 20 30 FEEDMM